Do not wear Khan or NCR's outfit when you negotiate with Khan at first place.
Just wear normal outfit.
I went in Naked and Unarmed and it makes no difference. Setting the BoulderCityGreatKhans to Neutral also results in being attacked. Only setting them to Ally and Friendly works.
Looking over the topic scripts it seems when you talk to Monro he flags the quest as Negotiator but only sets the NCR to Ally, leaving the Khans as whatever they were. The Boulder City Great Khans have no default disposition with the player.
I http://www.newvegasnexus.com/downloads/file.php?id=37952 to resolve the issue.