USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: T 83 ASN :FLIP amide:sc= 0.118 F(o=-0.72,f=0.2) USER MOD Set 1.2: T 85 SER OG : rot 180:sc= 0.0847 USER MOD Set 2.1: T 32 THR OG1 : rot 160:sc= -2.22! USER MOD Set 2.2: T 35 GLN : amide:sc= 0.02 K(o=-2.2,f=-4.8!) USER MOD Single : T 3 TYR OH : rot 79:sc= 1.05 USER MOD Single : T 4 HIS : no HE2:sc= -6.87! C(o=-6.9!,f=-7.8!) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 12 TYR OH : rot 180:sc= 0 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 180:sc= -0.954 USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 29 HIS : no HD1:sc= -3.95! C(o=-3.9!,f=-6.8!) USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS : no HE2:sc= -6.01! C(o=-6!,f=-5.6!) USER MOD Single : T 47 CYS SG : rot 180:sc= 0 USER MOD Single : T 52 MET CE :methyl -154:sc= -0.373 (180deg=-1.1) USER MOD Single : T 54 LYS NZ :NH3+ -157:sc= -0.0498 (180deg=-0.26) USER MOD Single : T 59 TYR OH : rot 142:sc= 1.43 USER MOD Single : T 73 THR OG1 : rot -15:sc= 0.719 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 165:sc= -0.461 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -2.15 K(o=-2.2,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -8.236 2.196 7.099 1.00 0.00 N ATOM 11 CA VAL T 2 -7.369 2.122 5.930 1.00 0.00 C ATOM 12 C VAL T 2 -7.830 1.037 4.963 1.00 0.00 C ATOM 13 O VAL T 2 -8.287 -0.028 5.381 1.00 0.00 O ATOM 14 CB VAL T 2 -5.912 1.845 6.339 1.00 0.00 C ATOM 15 CG1 VAL T 2 -5.853 0.753 7.396 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.071 1.472 5.129 1.00 0.00 C ATOM 0 HA VAL T 2 -7.426 3.089 5.431 1.00 0.00 H new ATOM 0 HB VAL T 2 -5.498 2.758 6.767 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -4.815 0.571 7.673 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -6.413 1.068 8.276 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -6.288 -0.163 6.997 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.045 1.281 5.444 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -5.481 0.576 4.664 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.083 2.292 4.411 1.00 0.00 H new ATOM 26 N TYR T 3 -7.699 1.312 3.669 1.00 0.00 N ATOM 27 CA TYR T 3 -8.094 0.357 2.640 1.00 0.00 C ATOM 28 C TYR T 3 -7.134 0.406 1.459 1.00 0.00 C ATOM 29 O TYR T 3 -6.188 1.196 1.444 1.00 0.00 O ATOM 30 CB TYR T 3 -9.521 0.635 2.164 1.00 0.00 C ATOM 31 CG TYR T 3 -9.735 2.046 1.664 1.00 0.00 C ATOM 32 CD1 TYR T 3 -9.876 3.106 2.551 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.802 2.317 0.303 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.075 4.396 2.096 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.000 3.603 -0.160 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.136 4.639 0.740 1.00 0.00 C ATOM 37 OH TYR T 3 -10.335 5.921 0.282 1.00 0.00 O ATOM 0 H TYR T 3 -7.322 2.189 3.308 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.058 -0.641 3.078 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.770 -0.065 1.366 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.212 0.442 2.985 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -9.829 2.919 3.614 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.697 1.508 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.182 5.209 2.799 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.048 3.796 -1.221 1.00 0.00 H new ATOM 0 HH TYR T 3 -9.492 6.419 0.326 1.00 0.00 H new ATOM 47 N HIS T 4 -7.378 -0.448 0.472 1.00 0.00 N ATOM 48 CA HIS T 4 -6.532 -0.509 -0.713 1.00 0.00 C ATOM 49 C HIS T 4 -7.115 0.322 -1.850 1.00 0.00 C ATOM 50 O HIS T 4 -8.309 0.620 -1.869 1.00 0.00 O ATOM 51 CB HIS T 4 -6.357 -1.957 -1.166 1.00 0.00 C ATOM 52 CG HIS T 4 -5.329 -2.127 -2.240 1.00 0.00 C ATOM 53 ND1 HIS T 4 -5.651 -2.332 -3.564 1.00 0.00 N ATOM 54 CD2 HIS T 4 -3.977 -2.118 -2.180 1.00 0.00 C ATOM 55 CE1 HIS T 4 -4.541 -2.444 -4.272 1.00 0.00 C ATOM 56 NE2 HIS T 4 -3.512 -2.318 -3.457 1.00 0.00 N ATOM 0 H HIS T 4 -8.156 -1.108 0.469 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.559 -0.095 -0.450 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -6.077 -2.567 -0.307 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -7.314 -2.334 -1.527 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -6.598 -2.388 -3.939 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.376 -1.979 -1.294 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -4.486 -2.611 -5.338 1.00 0.00 H new ATOM 65 N ARG T 5 -6.259 0.694 -2.797 1.00 0.00 N ATOM 66 CA ARG T 5 -6.680 1.491 -3.941 1.00 0.00 C ATOM 67 C ARG T 5 -5.805 1.206 -5.159 1.00 0.00 C ATOM 68 O ARG T 5 -4.632 0.854 -5.024 1.00 0.00 O ATOM 69 CB ARG T 5 -6.622 2.978 -3.597 1.00 0.00 C ATOM 70 CG ARG T 5 -7.227 3.879 -4.661 1.00 0.00 C ATOM 71 CD ARG T 5 -8.671 4.225 -4.339 1.00 0.00 C ATOM 72 NE ARG T 5 -9.339 3.162 -3.594 1.00 0.00 N ATOM 73 CZ ARG T 5 -10.407 2.508 -4.040 1.00 0.00 C ATOM 74 NH1 ARG T 5 -10.925 2.809 -5.222 1.00 0.00 N ATOM 75 NH2 ARG T 5 -10.956 1.552 -3.303 1.00 0.00 N ATOM 0 H ARG T 5 -5.267 0.455 -2.793 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.707 1.218 -4.184 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -7.144 3.144 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -5.582 3.265 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -6.641 4.795 -4.741 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.178 3.383 -5.631 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -8.701 5.147 -3.759 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.213 4.413 -5.266 1.00 0.00 H new ATOM 0 HE ARG T 5 -8.965 2.907 -2.680 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -10.504 3.543 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -11.744 2.306 -5.563 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -10.559 1.318 -2.393 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -11.775 1.051 -3.646 1.00 0.00 H new ATOM 89 N GLU T 6 -6.380 1.369 -6.346 1.00 0.00 N ATOM 90 CA GLU T 6 -5.651 1.134 -7.588 1.00 0.00 C ATOM 91 C GLU T 6 -5.664 2.380 -8.466 1.00 0.00 C ATOM 92 O GLU T 6 -6.341 3.363 -8.160 1.00 0.00 O ATOM 93 CB GLU T 6 -6.257 -0.052 -8.346 1.00 0.00 C ATOM 94 CG GLU T 6 -5.702 -0.232 -9.750 1.00 0.00 C ATOM 95 CD GLU T 6 -6.174 -1.518 -10.400 1.00 0.00 C ATOM 96 OE1 GLU T 6 -5.978 -2.594 -9.797 1.00 0.00 O ATOM 97 OE2 GLU T 6 -6.739 -1.448 -11.512 1.00 0.00 O ATOM 0 H GLU T 6 -7.348 1.663 -6.475 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.617 0.900 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -6.080 -0.964 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -7.337 0.081 -8.407 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -6.002 0.615 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -4.613 -0.227 -9.710 1.00 0.00 H new ATOM 104 N ALA T 7 -4.912 2.331 -9.558 1.00 0.00 N ATOM 105 CA ALA T 7 -4.831 3.453 -10.486 1.00 0.00 C ATOM 106 C ALA T 7 -5.920 3.368 -11.550 1.00 0.00 C ATOM 107 O ALA T 7 -6.451 2.292 -11.824 1.00 0.00 O ATOM 108 CB ALA T 7 -3.457 3.499 -11.136 1.00 0.00 C ATOM 0 H ALA T 7 -4.348 1.524 -9.824 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.986 4.372 -9.921 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.409 4.341 -11.827 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.694 3.617 -10.366 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -3.281 2.572 -11.682 1.00 0.00 H new ATOM 114 N ARG T 8 -6.244 4.510 -12.148 1.00 0.00 N ATOM 115 CA ARG T 8 -7.268 4.564 -13.186 1.00 0.00 C ATOM 116 C ARG T 8 -6.815 3.805 -14.429 1.00 0.00 C ATOM 117 O ARG T 8 -7.632 3.420 -15.266 1.00 0.00 O ATOM 118 CB ARG T 8 -7.582 6.017 -13.548 1.00 0.00 C ATOM 119 CG ARG T 8 -8.835 6.557 -12.878 1.00 0.00 C ATOM 120 CD ARG T 8 -9.957 6.776 -13.879 1.00 0.00 C ATOM 121 NE ARG T 8 -10.885 7.816 -13.441 1.00 0.00 N ATOM 122 CZ ARG T 8 -11.960 8.182 -14.131 1.00 0.00 C ATOM 123 NH1 ARG T 8 -12.242 7.596 -15.286 1.00 0.00 N ATOM 124 NH2 ARG T 8 -12.755 9.137 -13.666 1.00 0.00 N ATOM 0 H ARG T 8 -5.813 5.409 -11.932 1.00 0.00 H new ATOM 0 HA ARG T 8 -8.171 4.092 -12.799 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.734 6.643 -13.270 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.696 6.096 -14.629 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -9.165 5.860 -12.108 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -8.604 7.498 -12.378 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -9.533 7.052 -14.845 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -10.501 5.843 -14.024 1.00 0.00 H new ATOM 0 HE ARG T 8 -10.697 8.287 -12.556 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -11.633 6.862 -15.647 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -13.068 7.879 -15.813 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -12.541 9.591 -12.778 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -13.580 9.417 -14.197 1.00 0.00 H new ATOM 138 N SER T 9 -5.508 3.593 -14.543 1.00 0.00 N ATOM 139 CA SER T 9 -4.944 2.878 -15.681 1.00 0.00 C ATOM 140 C SER T 9 -4.785 1.394 -15.366 1.00 0.00 C ATOM 141 O SER T 9 -4.769 0.557 -16.267 1.00 0.00 O ATOM 142 CB SER T 9 -3.591 3.479 -16.067 1.00 0.00 C ATOM 143 OG SER T 9 -3.735 4.810 -16.529 1.00 0.00 O ATOM 0 H SER T 9 -4.819 3.907 -13.860 1.00 0.00 H new ATOM 0 HA SER T 9 -5.631 2.980 -16.521 1.00 0.00 H new ATOM 0 HB2 SER T 9 -2.923 3.460 -15.206 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.128 2.870 -16.843 1.00 0.00 H new ATOM 0 HG SER T 9 -2.855 5.171 -16.767 1.00 0.00 H new ATOM 149 N GLY T 10 -4.668 1.078 -14.081 1.00 0.00 N ATOM 150 CA GLY T 10 -4.513 -0.305 -13.667 1.00 0.00 C ATOM 151 C GLY T 10 -3.504 -0.464 -12.548 1.00 0.00 C ATOM 152 O GLY T 10 -2.745 0.458 -12.249 1.00 0.00 O ATOM 0 H GLY T 10 -4.678 1.755 -13.318 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.478 -0.694 -13.341 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.200 -0.904 -14.522 1.00 0.00 H new ATOM 156 N LYS T 11 -3.496 -1.639 -11.928 1.00 0.00 N ATOM 157 CA LYS T 11 -2.575 -1.924 -10.834 1.00 0.00 C ATOM 158 C LYS T 11 -1.126 -1.759 -11.283 1.00 0.00 C ATOM 159 O LYS T 11 -0.816 -1.869 -12.468 1.00 0.00 O ATOM 160 CB LYS T 11 -2.799 -3.343 -10.309 1.00 0.00 C ATOM 161 CG LYS T 11 -1.933 -3.688 -9.109 1.00 0.00 C ATOM 162 CD LYS T 11 -2.081 -5.149 -8.717 1.00 0.00 C ATOM 163 CE LYS T 11 -0.946 -5.994 -9.273 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.271 -7.447 -9.244 1.00 0.00 N ATOM 0 H LYS T 11 -4.119 -2.411 -12.165 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.771 -1.211 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.848 -3.460 -10.036 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.597 -4.054 -11.110 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.889 -3.476 -9.339 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -2.208 -3.054 -8.266 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -2.101 -5.235 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -3.034 -5.531 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS T 11 -0.735 -5.689 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -0.041 -5.813 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.472 -7.989 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.448 -7.744 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -2.120 -7.624 -9.818 1.00 0.00 H new ATOM 178 N TYR T 12 -0.243 -1.495 -10.323 1.00 0.00 N ATOM 179 CA TYR T 12 1.175 -1.314 -10.613 1.00 0.00 C ATOM 180 C TYR T 12 1.389 -0.173 -11.602 1.00 0.00 C ATOM 181 O TYR T 12 2.028 -0.348 -12.640 1.00 0.00 O ATOM 182 CB TYR T 12 1.774 -2.609 -11.169 1.00 0.00 C ATOM 183 CG TYR T 12 2.003 -3.673 -10.118 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.589 -3.481 -8.805 1.00 0.00 C ATOM 185 CD2 TYR T 12 2.632 -4.868 -10.440 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.797 -4.452 -7.843 1.00 0.00 C ATOM 187 CE2 TYR T 12 2.843 -5.844 -9.483 1.00 0.00 C ATOM 188 CZ TYR T 12 2.424 -5.630 -8.188 1.00 0.00 C ATOM 189 OH TYR T 12 2.633 -6.599 -7.233 1.00 0.00 O ATOM 0 H TYR T 12 -0.486 -1.402 -9.337 1.00 0.00 H new ATOM 0 HA TYR T 12 1.680 -1.060 -9.681 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.110 -3.006 -11.937 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.723 -2.381 -11.655 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.097 -2.559 -8.532 1.00 0.00 H new ATOM 0 HD2 TYR T 12 2.962 -5.038 -11.454 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.470 -4.288 -6.827 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.333 -6.769 -9.749 1.00 0.00 H new ATOM 0 HH TYR T 12 3.086 -7.367 -7.640 1.00 0.00 H new ATOM 199 N LYS T 13 0.852 0.996 -11.269 1.00 0.00 N ATOM 200 CA LYS T 13 0.984 2.170 -12.124 1.00 0.00 C ATOM 201 C LYS T 13 0.917 3.451 -11.299 1.00 0.00 C ATOM 202 O LYS T 13 0.939 4.554 -11.845 1.00 0.00 O ATOM 203 CB LYS T 13 -0.115 2.177 -13.188 1.00 0.00 C ATOM 204 CG LYS T 13 0.142 1.216 -14.339 1.00 0.00 C ATOM 205 CD LYS T 13 -0.210 1.841 -15.678 1.00 0.00 C ATOM 206 CE LYS T 13 -1.195 0.982 -16.453 1.00 0.00 C ATOM 207 NZ LYS T 13 -0.541 -0.218 -17.046 1.00 0.00 N ATOM 0 H LYS T 13 0.321 1.156 -10.413 1.00 0.00 H new ATOM 0 HA LYS T 13 1.956 2.125 -12.616 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -1.065 1.922 -12.718 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.217 3.187 -13.585 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.191 0.920 -14.339 1.00 0.00 H new ATOM 0 HG3 LYS T 13 -0.445 0.309 -14.195 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -0.637 2.831 -15.517 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.697 1.977 -16.267 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -2.000 0.666 -15.790 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -1.649 1.576 -17.246 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -1.247 -0.777 -17.566 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 0.211 0.083 -17.698 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 -0.129 -0.799 -16.288 1.00 0.00 H new ATOM 221 N LEU T 14 0.835 3.297 -9.980 1.00 0.00 N ATOM 222 CA LEU T 14 0.765 4.443 -9.081 1.00 0.00 C ATOM 223 C LEU T 14 2.098 4.673 -8.379 1.00 0.00 C ATOM 224 O LEU T 14 2.722 3.735 -7.882 1.00 0.00 O ATOM 225 CB LEU T 14 -0.336 4.232 -8.041 1.00 0.00 C ATOM 226 CG LEU T 14 -1.729 4.703 -8.461 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.802 3.936 -7.703 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.876 6.200 -8.235 1.00 0.00 C ATOM 0 H LEU T 14 0.815 2.391 -9.512 1.00 0.00 H new ATOM 0 HA LEU T 14 0.534 5.325 -9.679 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.387 3.170 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU T 14 -0.054 4.754 -7.126 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.855 4.504 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.787 4.284 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.709 2.871 -7.918 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.680 4.102 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.873 6.518 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.730 6.424 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.130 6.732 -8.825 1.00 0.00 H new ATOM 240 N THR T 15 2.520 5.930 -8.335 1.00 0.00 N ATOM 241 CA THR T 15 3.770 6.297 -7.686 1.00 0.00 C ATOM 242 C THR T 15 3.492 6.981 -6.354 1.00 0.00 C ATOM 243 O THR T 15 2.456 7.617 -6.187 1.00 0.00 O ATOM 244 CB THR T 15 4.610 7.236 -8.570 1.00 0.00 C ATOM 245 OG1 THR T 15 3.997 8.530 -8.632 1.00 0.00 O ATOM 246 CG2 THR T 15 4.752 6.672 -9.976 1.00 0.00 C ATOM 0 H THR T 15 2.012 6.715 -8.743 1.00 0.00 H new ATOM 0 HA THR T 15 4.334 5.379 -7.520 1.00 0.00 H new ATOM 0 HB THR T 15 5.602 7.324 -8.127 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.539 9.122 -9.195 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.349 7.353 -10.582 1.00 0.00 H new ATOM 0 HG22 THR T 15 5.244 5.700 -9.930 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.765 6.558 -10.424 1.00 0.00 H new ATOM 254 N TYR T 16 4.414 6.845 -5.408 1.00 0.00 N ATOM 255 CA TYR T 16 4.244 7.454 -4.093 1.00 0.00 C ATOM 256 C TYR T 16 3.520 8.792 -4.201 1.00 0.00 C ATOM 257 O TYR T 16 2.641 9.100 -3.396 1.00 0.00 O ATOM 258 CB TYR T 16 5.600 7.654 -3.415 1.00 0.00 C ATOM 259 CG TYR T 16 5.512 8.402 -2.105 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.980 7.799 -0.972 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.962 9.713 -2.002 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.898 8.481 0.227 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.882 10.401 -0.806 1.00 0.00 C ATOM 264 CZ TYR T 16 5.350 9.781 0.305 1.00 0.00 C ATOM 265 OH TYR T 16 5.270 10.464 1.497 1.00 0.00 O ATOM 0 H TYR T 16 5.282 6.322 -5.525 1.00 0.00 H new ATOM 0 HA TYR T 16 3.639 6.778 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR T 16 6.057 6.680 -3.239 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.259 8.198 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.625 6.781 -1.029 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.380 10.201 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.482 7.998 1.099 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.235 11.420 -0.742 1.00 0.00 H new ATOM 0 HH TYR T 16 5.632 11.367 1.381 1.00 0.00 H new ATOM 275 N ALA T 17 3.896 9.584 -5.201 1.00 0.00 N ATOM 276 CA ALA T 17 3.284 10.889 -5.415 1.00 0.00 C ATOM 277 C ALA T 17 1.863 10.755 -5.958 1.00 0.00 C ATOM 278 O ALA T 17 0.955 11.464 -5.523 1.00 0.00 O ATOM 279 CB ALA T 17 4.139 11.721 -6.357 1.00 0.00 C ATOM 0 H ALA T 17 4.622 9.343 -5.876 1.00 0.00 H new ATOM 0 HA ALA T 17 3.224 11.396 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.671 12.694 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.130 11.858 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.230 11.208 -7.315 1.00 0.00 H new ATOM 285 N GLU T 18 1.671 9.836 -6.901 1.00 0.00 N ATOM 286 CA GLU T 18 0.359 9.612 -7.486 1.00 0.00 C ATOM 287 C GLU T 18 -0.566 8.972 -6.461 1.00 0.00 C ATOM 288 O GLU T 18 -1.706 9.398 -6.279 1.00 0.00 O ATOM 289 CB GLU T 18 0.482 8.716 -8.718 1.00 0.00 C ATOM 290 CG GLU T 18 1.254 9.357 -9.858 1.00 0.00 C ATOM 291 CD GLU T 18 1.331 8.469 -11.084 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.649 7.271 -10.929 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.073 8.972 -12.198 1.00 0.00 O ATOM 0 H GLU T 18 2.408 9.237 -7.273 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.063 10.570 -7.789 1.00 0.00 H new ATOM 0 HB2 GLU T 18 0.975 7.786 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.516 8.454 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.780 10.301 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.263 9.592 -9.521 1.00 0.00 H new ATOM 300 N ALA T 19 -0.052 7.951 -5.786 1.00 0.00 N ATOM 301 CA ALA T 19 -0.806 7.246 -4.763 1.00 0.00 C ATOM 302 C ALA T 19 -1.364 8.223 -3.734 1.00 0.00 C ATOM 303 O ALA T 19 -2.513 8.105 -3.306 1.00 0.00 O ATOM 304 CB ALA T 19 0.082 6.215 -4.089 1.00 0.00 C ATOM 0 H ALA T 19 0.892 7.592 -5.932 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.646 6.737 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.488 5.689 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.438 5.500 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.934 6.714 -3.628 1.00 0.00 H new ATOM 310 N LYS T 20 -0.539 9.191 -3.346 1.00 0.00 N ATOM 311 CA LYS T 20 -0.941 10.197 -2.372 1.00 0.00 C ATOM 312 C LYS T 20 -2.013 11.108 -2.954 1.00 0.00 C ATOM 313 O LYS T 20 -2.913 11.555 -2.244 1.00 0.00 O ATOM 314 CB LYS T 20 0.272 11.025 -1.943 1.00 0.00 C ATOM 315 CG LYS T 20 0.074 11.757 -0.626 1.00 0.00 C ATOM 316 CD LYS T 20 0.701 13.142 -0.656 1.00 0.00 C ATOM 317 CE LYS T 20 1.604 13.373 0.545 1.00 0.00 C ATOM 318 NZ LYS T 20 2.075 14.783 0.626 1.00 0.00 N ATOM 0 H LYS T 20 0.414 9.299 -3.693 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.354 9.689 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.138 10.368 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.499 11.752 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.992 11.844 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS T 20 0.514 11.175 0.184 1.00 0.00 H new ATOM 0 HD2 LYS T 20 1.277 13.262 -1.574 1.00 0.00 H new ATOM 0 HD3 LYS T 20 -0.085 13.897 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS T 20 1.066 13.118 1.458 1.00 0.00 H new ATOM 0 HE3 LYS T 20 2.464 12.706 0.485 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.688 14.897 1.459 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 2.611 15.020 -0.233 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 1.256 15.418 0.709 1.00 0.00 H new ATOM 332 N ALA T 21 -1.912 11.377 -4.251 1.00 0.00 N ATOM 333 CA ALA T 21 -2.877 12.232 -4.928 1.00 0.00 C ATOM 334 C ALA T 21 -4.271 11.617 -4.891 1.00 0.00 C ATOM 335 O ALA T 21 -5.269 12.325 -4.769 1.00 0.00 O ATOM 336 CB ALA T 21 -2.446 12.481 -6.365 1.00 0.00 C ATOM 0 H ALA T 21 -1.172 11.015 -4.853 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.913 13.186 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -3.177 13.122 -6.858 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.472 12.969 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.380 11.531 -6.895 1.00 0.00 H new ATOM 342 N VAL T 22 -4.331 10.294 -4.999 1.00 0.00 N ATOM 343 CA VAL T 22 -5.602 9.579 -4.980 1.00 0.00 C ATOM 344 C VAL T 22 -6.245 9.636 -3.600 1.00 0.00 C ATOM 345 O VAL T 22 -7.414 9.995 -3.465 1.00 0.00 O ATOM 346 CB VAL T 22 -5.424 8.107 -5.398 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.540 7.247 -4.826 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.370 7.987 -6.914 1.00 0.00 C ATOM 0 H VAL T 22 -3.512 9.694 -5.101 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.255 10.074 -5.699 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.479 7.746 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.395 6.211 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.525 7.308 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.501 7.604 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.244 6.941 -7.192 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.297 8.367 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.530 8.567 -7.295 1.00 0.00 H new ATOM 358 N CYS T 23 -5.476 9.286 -2.578 1.00 0.00 N ATOM 359 CA CYS T 23 -5.978 9.308 -1.211 1.00 0.00 C ATOM 360 C CYS T 23 -6.311 10.735 -0.801 1.00 0.00 C ATOM 361 O CYS T 23 -7.429 11.027 -0.379 1.00 0.00 O ATOM 362 CB CYS T 23 -4.950 8.712 -0.245 1.00 0.00 C ATOM 363 SG CYS T 23 -5.675 8.032 1.283 1.00 0.00 S ATOM 0 H CYS T 23 -4.506 8.985 -2.669 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.883 8.702 -1.167 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -4.401 7.922 -0.757 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -4.226 9.483 0.020 1.00 0.00 H new ATOM 368 N GLU T 24 -5.333 11.623 -0.942 1.00 0.00 N ATOM 369 CA GLU T 24 -5.520 13.027 -0.598 1.00 0.00 C ATOM 370 C GLU T 24 -6.603 13.651 -1.474 1.00 0.00 C ATOM 371 O GLU T 24 -7.169 14.690 -1.135 1.00 0.00 O ATOM 372 CB GLU T 24 -4.207 13.795 -0.762 1.00 0.00 C ATOM 373 CG GLU T 24 -4.308 15.262 -0.381 1.00 0.00 C ATOM 374 CD GLU T 24 -2.996 16.001 -0.555 1.00 0.00 C ATOM 375 OE1 GLU T 24 -2.417 15.934 -1.659 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.547 16.649 0.414 1.00 0.00 O ATOM 0 H GLU T 24 -4.403 11.395 -1.292 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.835 13.087 0.444 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.440 13.321 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.879 13.719 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -5.074 15.740 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.631 15.343 0.657 1.00 0.00 H new ATOM 383 N PHE T 25 -6.887 13.003 -2.599 1.00 0.00 N ATOM 384 CA PHE T 25 -7.904 13.483 -3.528 1.00 0.00 C ATOM 385 C PHE T 25 -9.232 13.695 -2.813 1.00 0.00 C ATOM 386 O PHE T 25 -9.868 14.739 -2.955 1.00 0.00 O ATOM 387 CB PHE T 25 -8.083 12.489 -4.677 1.00 0.00 C ATOM 388 CG PHE T 25 -8.145 13.137 -6.031 1.00 0.00 C ATOM 389 CD1 PHE T 25 -7.002 13.655 -6.618 1.00 0.00 C ATOM 390 CD2 PHE T 25 -9.346 13.227 -6.717 1.00 0.00 C ATOM 391 CE1 PHE T 25 -7.053 14.249 -7.864 1.00 0.00 C ATOM 392 CE2 PHE T 25 -9.404 13.821 -7.964 1.00 0.00 C ATOM 393 CZ PHE T 25 -8.257 14.333 -8.538 1.00 0.00 C ATOM 0 H PHE T 25 -6.425 12.141 -2.890 1.00 0.00 H new ATOM 0 HA PHE T 25 -7.572 14.439 -3.933 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -7.258 11.777 -4.662 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.998 11.920 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -6.059 13.594 -6.095 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -10.246 12.829 -6.273 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -6.154 14.647 -8.311 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -10.346 13.885 -8.489 1.00 0.00 H new ATOM 0 HZ PHE T 25 -8.301 14.798 -9.512 1.00 0.00 H new ATOM 403 N GLU T 26 -9.640 12.696 -2.042 1.00 0.00 N ATOM 404 CA GLU T 26 -10.891 12.762 -1.296 1.00 0.00 C ATOM 405 C GLU T 26 -10.624 12.908 0.196 1.00 0.00 C ATOM 406 O GLU T 26 -11.112 12.120 1.008 1.00 0.00 O ATOM 407 CB GLU T 26 -11.731 11.514 -1.561 1.00 0.00 C ATOM 408 CG GLU T 26 -11.807 11.143 -3.031 1.00 0.00 C ATOM 409 CD GLU T 26 -12.717 9.957 -3.286 1.00 0.00 C ATOM 410 OE1 GLU T 26 -12.551 8.924 -2.606 1.00 0.00 O ATOM 411 OE2 GLU T 26 -13.597 10.063 -4.166 1.00 0.00 O ATOM 0 H GLU T 26 -9.121 11.827 -1.916 1.00 0.00 H new ATOM 0 HA GLU T 26 -11.444 13.639 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.311 10.677 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.740 11.676 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -12.165 12.001 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.806 10.914 -3.396 1.00 0.00 H new ATOM 418 N GLY T 27 -9.844 13.922 0.547 1.00 0.00 N ATOM 419 CA GLY T 27 -9.518 14.165 1.937 1.00 0.00 C ATOM 420 C GLY T 27 -8.967 12.929 2.622 1.00 0.00 C ATOM 421 O GLY T 27 -9.166 12.735 3.821 1.00 0.00 O ATOM 0 H GLY T 27 -9.430 14.583 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.786 14.970 2.001 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.410 14.503 2.464 1.00 0.00 H new ATOM 425 N GLY T 28 -8.272 12.092 1.858 1.00 0.00 N ATOM 426 CA GLY T 28 -7.700 10.879 2.415 1.00 0.00 C ATOM 427 C GLY T 28 -6.219 11.036 2.693 1.00 0.00 C ATOM 428 O GLY T 28 -5.597 12.003 2.252 1.00 0.00 O ATOM 0 H GLY T 28 -8.095 12.232 0.863 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.219 10.623 3.339 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.855 10.052 1.722 1.00 0.00 H new ATOM 432 N HIS T 29 -5.654 10.088 3.433 1.00 0.00 N ATOM 433 CA HIS T 29 -4.244 10.125 3.777 1.00 0.00 C ATOM 434 C HIS T 29 -3.584 8.770 3.563 1.00 0.00 C ATOM 435 O HIS T 29 -4.151 7.729 3.895 1.00 0.00 O ATOM 436 CB HIS T 29 -4.069 10.554 5.229 1.00 0.00 C ATOM 437 CG HIS T 29 -5.337 10.522 6.023 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.516 11.088 5.588 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.604 9.989 7.237 1.00 0.00 C ATOM 440 CE1 HIS T 29 -7.454 10.905 6.501 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.925 10.240 7.511 1.00 0.00 N ATOM 0 H HIS T 29 -6.157 9.283 3.806 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.761 10.849 3.120 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.336 9.903 5.705 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.661 11.564 5.253 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.907 9.463 7.873 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -8.478 11.242 6.432 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.418 9.958 8.358 1.00 0.00 H new ATOM 450 N LEU T 30 -2.380 8.795 3.008 1.00 0.00 N ATOM 451 CA LEU T 30 -1.626 7.583 2.748 1.00 0.00 C ATOM 452 C LEU T 30 -1.524 6.711 3.993 1.00 0.00 C ATOM 453 O LEU T 30 -1.307 7.210 5.096 1.00 0.00 O ATOM 454 CB LEU T 30 -0.225 7.939 2.261 1.00 0.00 C ATOM 455 CG LEU T 30 0.162 7.330 0.920 1.00 0.00 C ATOM 456 CD1 LEU T 30 1.388 8.027 0.351 1.00 0.00 C ATOM 457 CD2 LEU T 30 0.413 5.838 1.075 1.00 0.00 C ATOM 0 H LEU T 30 -1.903 9.652 2.728 1.00 0.00 H new ATOM 0 HA LEU T 30 -2.155 7.020 1.979 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -0.147 9.024 2.187 1.00 0.00 H new ATOM 0 HB3 LEU T 30 0.497 7.618 3.011 1.00 0.00 H new ATOM 0 HG LEU T 30 -0.662 7.471 0.221 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.650 7.578 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU T 30 1.171 9.086 0.209 1.00 0.00 H new ATOM 0 HD13 LEU T 30 2.223 7.917 1.043 1.00 0.00 H new ATOM 0 HD21 LEU T 30 0.689 5.413 0.110 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.223 5.677 1.787 1.00 0.00 H new ATOM 0 HD23 LEU T 30 -0.492 5.353 1.439 1.00 0.00 H new ATOM 469 N ALA T 31 -1.663 5.405 3.802 1.00 0.00 N ATOM 470 CA ALA T 31 -1.566 4.462 4.904 1.00 0.00 C ATOM 471 C ALA T 31 -0.101 4.174 5.217 1.00 0.00 C ATOM 472 O ALA T 31 0.783 4.508 4.429 1.00 0.00 O ATOM 473 CB ALA T 31 -2.307 3.173 4.572 1.00 0.00 C ATOM 0 H ALA T 31 -1.843 4.977 2.894 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.032 4.903 5.785 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.223 2.479 5.409 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.358 3.395 4.388 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -1.870 2.721 3.681 1.00 0.00 H new ATOM 479 N THR T 32 0.155 3.560 6.364 1.00 0.00 N ATOM 480 CA THR T 32 1.522 3.242 6.761 1.00 0.00 C ATOM 481 C THR T 32 1.713 1.748 6.971 1.00 0.00 C ATOM 482 O THR T 32 0.807 0.951 6.733 1.00 0.00 O ATOM 483 CB THR T 32 1.922 3.967 8.059 1.00 0.00 C ATOM 484 OG1 THR T 32 1.173 3.443 9.163 1.00 0.00 O ATOM 485 CG2 THR T 32 1.686 5.462 7.938 1.00 0.00 C ATOM 0 H THR T 32 -0.560 3.273 7.033 1.00 0.00 H new ATOM 0 HA THR T 32 2.158 3.580 5.943 1.00 0.00 H new ATOM 0 HB THR T 32 2.985 3.799 8.232 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.633 3.657 10.001 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.976 5.953 8.867 1.00 0.00 H new ATOM 0 HG22 THR T 32 2.282 5.859 7.117 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.630 5.649 7.743 1.00 0.00 H new ATOM 493 N TYR T 33 2.902 1.384 7.434 1.00 0.00 N ATOM 494 CA TYR T 33 3.229 -0.010 7.698 1.00 0.00 C ATOM 495 C TYR T 33 2.420 -0.521 8.878 1.00 0.00 C ATOM 496 O TYR T 33 1.511 -1.336 8.720 1.00 0.00 O ATOM 497 CB TYR T 33 4.723 -0.154 7.993 1.00 0.00 C ATOM 498 CG TYR T 33 5.120 -1.485 8.595 1.00 0.00 C ATOM 499 CD1 TYR T 33 5.021 -2.664 7.864 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.599 -1.561 9.896 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.386 -3.877 8.414 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.969 -2.772 10.452 1.00 0.00 C ATOM 503 CZ TYR T 33 5.860 -3.926 9.707 1.00 0.00 C ATOM 504 OH TYR T 33 6.226 -5.132 10.257 1.00 0.00 O ATOM 0 H TYR T 33 3.658 2.038 7.635 1.00 0.00 H new ATOM 0 HA TYR T 33 2.983 -0.600 6.815 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.279 -0.009 7.067 1.00 0.00 H new ATOM 0 HB3 TYR T 33 5.024 0.642 8.674 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.653 -2.630 6.849 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.684 -0.659 10.484 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.300 -4.783 7.833 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.341 -2.813 11.465 1.00 0.00 H new ATOM 0 HH TYR T 33 6.539 -4.991 11.175 1.00 0.00 H new ATOM 514 N LYS T 34 2.762 -0.026 10.058 1.00 0.00 N ATOM 515 CA LYS T 34 2.076 -0.415 11.282 1.00 0.00 C ATOM 516 C LYS T 34 0.563 -0.375 11.093 1.00 0.00 C ATOM 517 O LYS T 34 -0.153 -1.257 11.564 1.00 0.00 O ATOM 518 CB LYS T 34 2.483 0.503 12.437 1.00 0.00 C ATOM 519 CG LYS T 34 3.940 0.373 12.852 1.00 0.00 C ATOM 520 CD LYS T 34 4.071 0.044 14.330 1.00 0.00 C ATOM 521 CE LYS T 34 4.860 -1.237 14.549 1.00 0.00 C ATOM 522 NZ LYS T 34 6.305 -1.058 14.242 1.00 0.00 N ATOM 0 H LYS T 34 3.514 0.649 10.194 1.00 0.00 H new ATOM 0 HA LYS T 34 2.368 -1.437 11.522 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.289 1.537 12.151 1.00 0.00 H new ATOM 0 HB3 LYS T 34 1.851 0.287 13.298 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.420 -0.407 12.261 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.465 1.304 12.637 1.00 0.00 H new ATOM 0 HD2 LYS T 34 4.564 0.869 14.845 1.00 0.00 H new ATOM 0 HD3 LYS T 34 3.079 -0.059 14.770 1.00 0.00 H new ATOM 0 HE2 LYS T 34 4.746 -1.561 15.583 1.00 0.00 H new ATOM 0 HE3 LYS T 34 4.450 -2.028 13.920 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 6.808 -1.954 14.404 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 6.416 -0.773 13.248 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 6.702 -0.322 14.859 1.00 0.00 H new ATOM 536 N GLN T 35 0.081 0.653 10.400 1.00 0.00 N ATOM 537 CA GLN T 35 -1.344 0.798 10.151 1.00 0.00 C ATOM 538 C GLN T 35 -1.863 -0.354 9.299 1.00 0.00 C ATOM 539 O GLN T 35 -2.889 -0.958 9.614 1.00 0.00 O ATOM 540 CB GLN T 35 -1.621 2.130 9.457 1.00 0.00 C ATOM 541 CG GLN T 35 -1.346 3.338 10.335 1.00 0.00 C ATOM 542 CD GLN T 35 -1.603 4.650 9.621 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.765 4.686 8.401 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.639 5.739 10.380 1.00 0.00 N ATOM 0 H GLN T 35 0.658 1.395 10.003 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.865 0.779 11.108 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.008 2.197 8.558 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.662 2.154 9.135 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.972 3.285 11.226 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.310 3.309 10.672 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.500 5.663 11.388 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.806 6.651 9.955 1.00 0.00 H new ATOM 553 N LEU T 36 -1.145 -0.660 8.223 1.00 0.00 N ATOM 554 CA LEU T 36 -1.535 -1.746 7.335 1.00 0.00 C ATOM 555 C LEU T 36 -1.677 -3.046 8.117 1.00 0.00 C ATOM 556 O LEU T 36 -2.493 -3.902 7.774 1.00 0.00 O ATOM 557 CB LEU T 36 -0.511 -1.915 6.211 1.00 0.00 C ATOM 558 CG LEU T 36 -1.055 -1.697 4.798 1.00 0.00 C ATOM 559 CD1 LEU T 36 -2.031 -2.801 4.425 1.00 0.00 C ATOM 560 CD2 LEU T 36 -1.721 -0.335 4.688 1.00 0.00 C ATOM 0 H LEU T 36 -0.293 -0.172 7.947 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.499 -1.497 6.891 1.00 0.00 H new ATOM 0 HB2 LEU T 36 0.309 -1.217 6.380 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.092 -2.919 6.271 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.219 -1.728 4.099 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.407 -2.629 3.417 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.522 -3.764 4.463 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.864 -2.803 5.128 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -2.102 -0.197 3.676 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -2.546 -0.275 5.398 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -0.993 0.445 4.911 1.00 0.00 H new ATOM 572 N GLU T 37 -0.885 -3.181 9.176 1.00 0.00 N ATOM 573 CA GLU T 37 -0.933 -4.371 10.016 1.00 0.00 C ATOM 574 C GLU T 37 -2.263 -4.447 10.736 1.00 0.00 C ATOM 575 O GLU T 37 -3.031 -5.394 10.568 1.00 0.00 O ATOM 576 CB GLU T 37 0.190 -4.343 11.043 1.00 0.00 C ATOM 577 CG GLU T 37 1.366 -3.515 10.598 1.00 0.00 C ATOM 578 CD GLU T 37 2.664 -4.299 10.578 1.00 0.00 C ATOM 579 OE1 GLU T 37 2.862 -5.095 9.637 1.00 0.00 O ATOM 580 OE2 GLU T 37 3.480 -4.117 11.505 1.00 0.00 O ATOM 0 H GLU T 37 -0.204 -2.482 9.472 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.813 -5.246 9.376 1.00 0.00 H new ATOM 0 HB2 GLU T 37 -0.193 -3.946 11.983 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.522 -5.362 11.239 1.00 0.00 H new ATOM 0 HG2 GLU T 37 1.170 -3.120 9.601 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.474 -2.659 11.264 1.00 0.00 H new ATOM 587 N ALA T 38 -2.516 -3.430 11.541 1.00 0.00 N ATOM 588 CA ALA T 38 -3.749 -3.343 12.308 1.00 0.00 C ATOM 589 C ALA T 38 -4.964 -3.488 11.402 1.00 0.00 C ATOM 590 O ALA T 38 -6.063 -3.794 11.865 1.00 0.00 O ATOM 591 CB ALA T 38 -3.807 -2.031 13.075 1.00 0.00 C ATOM 0 H ALA T 38 -1.879 -2.646 11.682 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.762 -4.164 13.025 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.736 -1.983 13.643 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.960 -1.971 13.758 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.767 -1.198 12.374 1.00 0.00 H new ATOM 597 N ALA T 39 -4.754 -3.282 10.108 1.00 0.00 N ATOM 598 CA ALA T 39 -5.828 -3.407 9.132 1.00 0.00 C ATOM 599 C ALA T 39 -5.840 -4.813 8.563 1.00 0.00 C ATOM 600 O ALA T 39 -6.886 -5.350 8.205 1.00 0.00 O ATOM 601 CB ALA T 39 -5.661 -2.383 8.020 1.00 0.00 C ATOM 0 H ALA T 39 -3.850 -3.028 9.710 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.780 -3.217 9.627 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.472 -2.492 7.300 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.684 -1.379 8.444 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.707 -2.543 7.518 1.00 0.00 H new ATOM 607 N ARG T 40 -4.659 -5.405 8.503 1.00 0.00 N ATOM 608 CA ARG T 40 -4.495 -6.755 8.001 1.00 0.00 C ATOM 609 C ARG T 40 -5.037 -7.755 9.009 1.00 0.00 C ATOM 610 O ARG T 40 -5.552 -8.812 8.643 1.00 0.00 O ATOM 611 CB ARG T 40 -3.016 -7.023 7.750 1.00 0.00 C ATOM 612 CG ARG T 40 -2.693 -8.488 7.501 1.00 0.00 C ATOM 613 CD ARG T 40 -1.746 -9.042 8.552 1.00 0.00 C ATOM 614 NE ARG T 40 -0.935 -10.142 8.038 1.00 0.00 N ATOM 615 CZ ARG T 40 -0.231 -10.962 8.812 1.00 0.00 C ATOM 616 NH1 ARG T 40 -0.240 -10.806 10.129 1.00 0.00 N ATOM 617 NH2 ARG T 40 0.484 -11.939 8.270 1.00 0.00 N ATOM 0 H ARG T 40 -3.790 -4.963 8.801 1.00 0.00 H new ATOM 0 HA ARG T 40 -5.048 -6.863 7.068 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.691 -6.437 6.890 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.442 -6.675 8.609 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -3.615 -9.069 7.500 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.245 -8.599 6.513 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -1.092 -8.245 8.906 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -2.321 -9.387 9.411 1.00 0.00 H new ATOM 0 HE ARG T 40 -0.907 -10.289 7.029 1.00 0.00 H new ATOM 0 HH11 ARG T 40 -0.788 -10.056 10.550 1.00 0.00 H new ATOM 0 HH12 ARG T 40 0.301 -11.436 10.721 1.00 0.00 H new ATOM 0 HH21 ARG T 40 0.494 -12.062 7.258 1.00 0.00 H new ATOM 0 HH22 ARG T 40 1.023 -12.567 8.866 1.00 0.00 H new ATOM 631 N LYS T 41 -4.907 -7.411 10.285 1.00 0.00 N ATOM 632 CA LYS T 41 -5.374 -8.274 11.358 1.00 0.00 C ATOM 633 C LYS T 41 -6.896 -8.336 11.394 1.00 0.00 C ATOM 634 O LYS T 41 -7.473 -9.248 11.989 1.00 0.00 O ATOM 635 CB LYS T 41 -4.837 -7.787 12.704 1.00 0.00 C ATOM 636 CG LYS T 41 -3.352 -7.461 12.682 1.00 0.00 C ATOM 637 CD LYS T 41 -2.730 -7.601 14.062 1.00 0.00 C ATOM 638 CE LYS T 41 -2.231 -6.264 14.586 1.00 0.00 C ATOM 639 NZ LYS T 41 -3.248 -5.587 15.438 1.00 0.00 N ATOM 0 H LYS T 41 -4.481 -6.539 10.600 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.998 -9.279 11.166 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -5.391 -6.899 13.008 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -5.022 -8.552 13.458 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.843 -8.125 11.983 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -3.207 -6.444 12.318 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -3.465 -8.013 14.754 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -1.902 -8.308 14.019 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -1.319 -6.418 15.162 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -1.973 -5.618 13.746 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -2.869 -4.679 15.775 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -4.110 -5.417 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -3.476 -6.191 16.253 1.00 0.00 H new ATOM 653 N ILE T 42 -7.544 -7.369 10.756 1.00 0.00 N ATOM 654 CA ILE T 42 -8.999 -7.326 10.718 1.00 0.00 C ATOM 655 C ILE T 42 -9.530 -8.120 9.531 1.00 0.00 C ATOM 656 O ILE T 42 -10.728 -8.380 9.429 1.00 0.00 O ATOM 657 CB ILE T 42 -9.506 -5.877 10.625 1.00 0.00 C ATOM 658 CG1 ILE T 42 -9.327 -5.350 9.203 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.768 -4.994 11.619 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.549 -4.645 8.656 1.00 0.00 C ATOM 0 H ILE T 42 -7.085 -6.606 10.259 1.00 0.00 H new ATOM 0 HA ILE T 42 -9.364 -7.771 11.643 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.567 -5.858 10.872 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.482 -4.661 9.184 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -9.074 -6.182 8.546 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -9.137 -3.971 11.542 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.936 -5.365 12.630 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.701 -5.012 11.399 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -10.346 -4.299 7.643 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -11.392 -5.336 8.641 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.791 -3.792 9.289 1.00 0.00 H new ATOM 672 N GLY T 43 -8.624 -8.504 8.637 1.00 0.00 N ATOM 673 CA GLY T 43 -9.011 -9.265 7.466 1.00 0.00 C ATOM 674 C GLY T 43 -8.611 -8.573 6.178 1.00 0.00 C ATOM 675 O GLY T 43 -9.080 -8.937 5.100 1.00 0.00 O ATOM 0 H GLY T 43 -7.627 -8.300 8.704 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.548 -10.251 7.506 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -10.090 -9.419 7.474 1.00 0.00 H new ATOM 679 N PHE T 44 -7.744 -7.571 6.289 1.00 0.00 N ATOM 680 CA PHE T 44 -7.285 -6.832 5.117 1.00 0.00 C ATOM 681 C PHE T 44 -6.156 -7.576 4.412 1.00 0.00 C ATOM 682 O PHE T 44 -5.147 -7.919 5.027 1.00 0.00 O ATOM 683 CB PHE T 44 -6.819 -5.430 5.516 1.00 0.00 C ATOM 684 CG PHE T 44 -6.718 -4.471 4.363 1.00 0.00 C ATOM 685 CD1 PHE T 44 -7.274 -4.782 3.132 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.067 -3.256 4.511 1.00 0.00 C ATOM 687 CE1 PHE T 44 -7.183 -3.902 2.072 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.972 -2.372 3.454 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.531 -2.695 2.233 1.00 0.00 C ATOM 0 H PHE T 44 -7.347 -7.253 7.173 1.00 0.00 H new ATOM 0 HA PHE T 44 -8.124 -6.742 4.427 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.511 -5.024 6.254 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.845 -5.505 6.000 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.785 -5.724 3.000 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.629 -2.998 5.464 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.621 -4.157 1.118 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.461 -1.429 3.582 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.458 -2.005 1.405 1.00 0.00 H new ATOM 699 N HIS T 45 -6.335 -7.821 3.118 1.00 0.00 N ATOM 700 CA HIS T 45 -5.333 -8.527 2.327 1.00 0.00 C ATOM 701 C HIS T 45 -5.325 -8.028 0.886 1.00 0.00 C ATOM 702 O HIS T 45 -6.358 -8.019 0.217 1.00 0.00 O ATOM 703 CB HIS T 45 -5.604 -10.033 2.356 1.00 0.00 C ATOM 704 CG HIS T 45 -4.583 -10.855 1.631 1.00 0.00 C ATOM 705 ND1 HIS T 45 -4.187 -12.107 2.054 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.875 -10.600 0.504 1.00 0.00 C ATOM 707 CE1 HIS T 45 -3.282 -12.585 1.219 1.00 0.00 C ATOM 708 NE2 HIS T 45 -3.076 -11.692 0.270 1.00 0.00 N ATOM 0 H HIS T 45 -7.165 -7.541 2.595 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.354 -8.330 2.764 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.649 -10.363 3.394 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.584 -10.223 1.918 1.00 0.00 H new ATOM 0 HD1 HIS T 45 -4.538 -12.588 2.882 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.929 -9.705 -0.098 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.793 -13.545 1.300 1.00 0.00 H new ATOM 717 N VAL T 46 -4.152 -7.621 0.411 1.00 0.00 N ATOM 718 CA VAL T 46 -4.012 -7.130 -0.954 1.00 0.00 C ATOM 719 C VAL T 46 -2.657 -7.510 -1.541 1.00 0.00 C ATOM 720 O VAL T 46 -1.643 -6.877 -1.248 1.00 0.00 O ATOM 721 CB VAL T 46 -4.181 -5.599 -1.036 1.00 0.00 C ATOM 722 CG1 VAL T 46 -5.352 -5.245 -1.935 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.366 -4.993 0.348 1.00 0.00 C ATOM 0 H VAL T 46 -3.286 -7.622 0.951 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.806 -7.602 -1.533 1.00 0.00 H new ATOM 0 HB VAL T 46 -3.271 -5.180 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -5.459 -4.161 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -5.173 -5.637 -2.936 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -6.265 -5.682 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.483 -3.913 0.260 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.255 -5.417 0.815 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.493 -5.215 0.962 1.00 0.00 H new ATOM 733 N CYS T 47 -2.649 -8.547 -2.374 1.00 0.00 N ATOM 734 CA CYS T 47 -1.419 -9.011 -3.005 1.00 0.00 C ATOM 735 C CYS T 47 -0.956 -8.034 -4.079 1.00 0.00 C ATOM 736 O CYS T 47 -1.159 -8.262 -5.272 1.00 0.00 O ATOM 737 CB CYS T 47 -1.620 -10.400 -3.614 1.00 0.00 C ATOM 738 SG CYS T 47 -0.080 -11.355 -3.806 1.00 0.00 S ATOM 0 H CYS T 47 -3.480 -9.081 -2.627 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.649 -9.070 -2.236 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -2.310 -10.964 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -2.093 -10.293 -4.590 1.00 0.00 H new ATOM 0 HG CYS T 47 -0.351 -12.515 -4.326 1.00 0.00 H new ATOM 743 N ALA T 48 -0.329 -6.946 -3.646 1.00 0.00 N ATOM 744 CA ALA T 48 0.168 -5.929 -4.564 1.00 0.00 C ATOM 745 C ALA T 48 0.851 -4.799 -3.803 1.00 0.00 C ATOM 746 O ALA T 48 0.216 -4.098 -3.015 1.00 0.00 O ATOM 747 CB ALA T 48 -0.968 -5.383 -5.415 1.00 0.00 C ATOM 0 H ALA T 48 -0.153 -6.746 -2.662 1.00 0.00 H new ATOM 0 HA ALA T 48 0.905 -6.393 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.581 -4.625 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.413 -6.194 -5.991 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.725 -4.938 -4.769 1.00 0.00 H new ATOM 753 N ALA T 49 2.147 -4.628 -4.043 1.00 0.00 N ATOM 754 CA ALA T 49 2.915 -3.582 -3.379 1.00 0.00 C ATOM 755 C ALA T 49 2.096 -2.305 -3.241 1.00 0.00 C ATOM 756 O ALA T 49 1.692 -1.705 -4.235 1.00 0.00 O ATOM 757 CB ALA T 49 4.200 -3.306 -4.143 1.00 0.00 C ATOM 0 H ALA T 49 2.687 -5.200 -4.692 1.00 0.00 H new ATOM 0 HA ALA T 49 3.168 -3.931 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.764 -2.523 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.800 -4.215 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA T 49 3.959 -2.982 -5.155 1.00 0.00 H new ATOM 763 N GLY T 50 1.850 -1.896 -2.000 1.00 0.00 N ATOM 764 CA GLY T 50 1.079 -0.692 -1.758 1.00 0.00 C ATOM 765 C GLY T 50 1.884 0.388 -1.065 1.00 0.00 C ATOM 766 O GLY T 50 2.426 0.171 0.017 1.00 0.00 O ATOM 0 H GLY T 50 2.171 -2.377 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.705 -0.308 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.209 -0.939 -1.149 1.00 0.00 H new ATOM 770 N TRP T 51 1.964 1.555 -1.696 1.00 0.00 N ATOM 771 CA TRP T 51 2.713 2.676 -1.140 1.00 0.00 C ATOM 772 C TRP T 51 2.263 3.001 0.279 1.00 0.00 C ATOM 773 O TRP T 51 1.089 2.857 0.620 1.00 0.00 O ATOM 774 CB TRP T 51 2.561 3.911 -2.027 1.00 0.00 C ATOM 775 CG TRP T 51 3.436 3.873 -3.236 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.055 3.590 -4.514 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.845 4.122 -3.279 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.145 3.643 -5.351 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.255 3.972 -4.616 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.798 4.458 -2.314 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.579 4.146 -5.012 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.111 4.632 -2.707 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.491 4.476 -4.046 1.00 0.00 C ATOM 0 H TRP T 51 1.519 1.749 -2.593 1.00 0.00 H new ATOM 0 HA TRP T 51 3.763 2.384 -1.105 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.521 4.000 -2.341 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.795 4.801 -1.444 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.046 3.358 -4.823 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.130 3.466 -6.355 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.513 4.580 -1.279 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.875 4.025 -6.044 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.856 4.892 -1.970 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.525 4.619 -4.322 1.00 0.00 H new ATOM 794 N MET T 52 3.209 3.446 1.097 1.00 0.00 N ATOM 795 CA MET T 52 2.927 3.801 2.482 1.00 0.00 C ATOM 796 C MET T 52 4.072 4.621 3.066 1.00 0.00 C ATOM 797 O MET T 52 5.076 4.867 2.398 1.00 0.00 O ATOM 798 CB MET T 52 2.704 2.544 3.323 1.00 0.00 C ATOM 799 CG MET T 52 3.261 1.277 2.696 1.00 0.00 C ATOM 800 SD MET T 52 4.052 0.192 3.899 1.00 0.00 S ATOM 801 CE MET T 52 2.891 -1.170 3.940 1.00 0.00 C ATOM 0 H MET T 52 4.184 3.570 0.823 1.00 0.00 H new ATOM 0 HA MET T 52 2.018 4.402 2.502 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.164 2.686 4.301 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.635 2.415 3.490 1.00 0.00 H new ATOM 0 HG2 MET T 52 2.454 0.737 2.202 1.00 0.00 H new ATOM 0 HG3 MET T 52 3.984 1.546 1.925 1.00 0.00 H new ATOM 0 HE1 MET T 52 2.956 -1.675 4.904 1.00 0.00 H new ATOM 0 HE2 MET T 52 1.879 -0.790 3.797 1.00 0.00 H new ATOM 0 HE3 MET T 52 3.130 -1.876 3.144 1.00 0.00 H new ATOM 811 N ALA T 53 3.918 5.035 4.319 1.00 0.00 N ATOM 812 CA ALA T 53 4.942 5.821 4.994 1.00 0.00 C ATOM 813 C ALA T 53 5.369 7.019 4.155 1.00 0.00 C ATOM 814 O ALA T 53 4.703 7.385 3.186 1.00 0.00 O ATOM 815 CB ALA T 53 6.140 4.943 5.317 1.00 0.00 C ATOM 0 H ALA T 53 3.094 4.839 4.887 1.00 0.00 H new ATOM 0 HA ALA T 53 4.519 6.204 5.922 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.901 5.538 5.822 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.828 4.126 5.967 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.551 4.535 4.394 1.00 0.00 H new ATOM 821 N LYS T 54 6.484 7.629 4.542 1.00 0.00 N ATOM 822 CA LYS T 54 7.009 8.794 3.837 1.00 0.00 C ATOM 823 C LYS T 54 7.525 8.421 2.449 1.00 0.00 C ATOM 824 O LYS T 54 8.070 9.262 1.735 1.00 0.00 O ATOM 825 CB LYS T 54 8.133 9.438 4.650 1.00 0.00 C ATOM 826 CG LYS T 54 7.850 10.875 5.059 1.00 0.00 C ATOM 827 CD LYS T 54 8.364 11.867 4.028 1.00 0.00 C ATOM 828 CE LYS T 54 9.690 12.475 4.458 1.00 0.00 C ATOM 829 NZ LYS T 54 9.539 13.367 5.640 1.00 0.00 N ATOM 0 H LYS T 54 7.044 7.335 5.343 1.00 0.00 H new ATOM 0 HA LYS T 54 6.192 9.506 3.716 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.307 8.843 5.546 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.053 9.411 4.066 1.00 0.00 H new ATOM 0 HG2 LYS T 54 6.777 11.011 5.190 1.00 0.00 H new ATOM 0 HG3 LYS T 54 8.317 11.077 6.023 1.00 0.00 H new ATOM 0 HD2 LYS T 54 8.486 11.366 3.068 1.00 0.00 H new ATOM 0 HD3 LYS T 54 7.629 12.658 3.884 1.00 0.00 H new ATOM 0 HE2 LYS T 54 10.395 11.678 4.694 1.00 0.00 H new ATOM 0 HE3 LYS T 54 10.115 13.041 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 10.329 14.043 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 8.641 13.886 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 9.542 12.795 6.509 1.00 0.00 H new ATOM 843 N GLY T 55 7.352 7.159 2.070 1.00 0.00 N ATOM 844 CA GLY T 55 7.810 6.709 0.768 1.00 0.00 C ATOM 845 C GLY T 55 8.176 5.239 0.776 1.00 0.00 C ATOM 846 O GLY T 55 8.814 4.745 -0.154 1.00 0.00 O ATOM 0 H GLY T 55 6.904 6.441 2.640 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.030 6.885 0.028 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.676 7.297 0.464 1.00 0.00 H new ATOM 850 N ARG T 56 7.772 4.536 1.830 1.00 0.00 N ATOM 851 CA ARG T 56 8.061 3.113 1.956 1.00 0.00 C ATOM 852 C ARG T 56 6.934 2.273 1.364 1.00 0.00 C ATOM 853 O ARG T 56 5.769 2.446 1.717 1.00 0.00 O ATOM 854 CB ARG T 56 8.272 2.743 3.425 1.00 0.00 C ATOM 855 CG ARG T 56 9.735 2.621 3.819 1.00 0.00 C ATOM 856 CD ARG T 56 9.891 2.425 5.318 1.00 0.00 C ATOM 857 NE ARG T 56 11.142 2.986 5.818 1.00 0.00 N ATOM 858 CZ ARG T 56 11.225 3.758 6.898 1.00 0.00 C ATOM 859 NH1 ARG T 56 10.131 4.062 7.583 1.00 0.00 N ATOM 860 NH2 ARG T 56 12.401 4.225 7.293 1.00 0.00 N ATOM 0 H ARG T 56 7.244 4.929 2.609 1.00 0.00 H new ATOM 0 HA ARG T 56 8.975 2.903 1.400 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.797 3.497 4.053 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.770 1.797 3.628 1.00 0.00 H new ATOM 0 HG2 ARG T 56 10.187 1.781 3.292 1.00 0.00 H new ATOM 0 HG3 ARG T 56 10.273 3.517 3.510 1.00 0.00 H new ATOM 0 HD2 ARG T 56 9.053 2.893 5.834 1.00 0.00 H new ATOM 0 HD3 ARG T 56 9.853 1.361 5.550 1.00 0.00 H new ATOM 0 HE ARG T 56 12.001 2.774 5.311 1.00 0.00 H new ATOM 0 HH11 ARG T 56 9.225 3.704 7.282 1.00 0.00 H new ATOM 0 HH12 ARG T 56 10.196 4.654 8.411 1.00 0.00 H new ATOM 0 HH21 ARG T 56 13.244 3.993 6.768 1.00 0.00 H new ATOM 0 HH22 ARG T 56 12.463 4.817 8.121 1.00 0.00 H new ATOM 874 N VAL T 57 7.290 1.362 0.463 1.00 0.00 N ATOM 875 CA VAL T 57 6.304 0.495 -0.177 1.00 0.00 C ATOM 876 C VAL T 57 6.565 -0.972 0.157 1.00 0.00 C ATOM 877 O VAL T 57 7.666 -1.481 -0.058 1.00 0.00 O ATOM 878 CB VAL T 57 6.301 0.679 -1.710 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.621 1.268 -2.182 1.00 0.00 C ATOM 880 CG2 VAL T 57 6.016 -0.641 -2.412 1.00 0.00 C ATOM 0 H VAL T 57 8.251 1.205 0.160 1.00 0.00 H new ATOM 0 HA VAL T 57 5.327 0.782 0.212 1.00 0.00 H new ATOM 0 HB VAL T 57 5.505 1.377 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.599 1.390 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.775 2.239 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.437 0.598 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL T 57 6.019 -0.487 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.784 -1.367 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL T 57 5.040 -1.015 -2.101 1.00 0.00 H new ATOM 890 N GLY T 58 5.546 -1.645 0.685 1.00 0.00 N ATOM 891 CA GLY T 58 5.686 -3.047 1.042 1.00 0.00 C ATOM 892 C GLY T 58 4.462 -3.863 0.676 1.00 0.00 C ATOM 893 O GLY T 58 3.523 -3.347 0.068 1.00 0.00 O ATOM 0 H GLY T 58 4.626 -1.245 0.872 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.559 -3.462 0.538 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.867 -3.130 2.114 1.00 0.00 H new ATOM 897 N TYR T 59 4.468 -5.141 1.048 1.00 0.00 N ATOM 898 CA TYR T 59 3.347 -6.028 0.752 1.00 0.00 C ATOM 899 C TYR T 59 2.972 -6.862 1.976 1.00 0.00 C ATOM 900 O TYR T 59 3.654 -7.830 2.311 1.00 0.00 O ATOM 901 CB TYR T 59 3.690 -6.954 -0.418 1.00 0.00 C ATOM 902 CG TYR T 59 5.033 -6.658 -1.047 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.209 -5.553 -1.870 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.125 -7.487 -0.819 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.435 -5.281 -2.448 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.353 -7.221 -1.393 1.00 0.00 C ATOM 907 CZ TYR T 59 7.503 -6.118 -2.207 1.00 0.00 C ATOM 908 OH TYR T 59 8.726 -5.851 -2.780 1.00 0.00 O ATOM 0 H TYR T 59 5.235 -5.584 1.554 1.00 0.00 H new ATOM 0 HA TYR T 59 2.494 -5.407 0.478 1.00 0.00 H new ATOM 0 HB2 TYR T 59 3.681 -7.987 -0.069 1.00 0.00 H new ATOM 0 HB3 TYR T 59 2.914 -6.868 -1.179 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.374 -4.895 -2.062 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.012 -8.353 -0.183 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.555 -4.417 -3.085 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.192 -7.874 -1.205 1.00 0.00 H new ATOM 0 HH TYR T 59 9.439 -6.064 -2.143 1.00 0.00 H new ATOM 918 N PRO T 60 1.873 -6.496 2.656 1.00 0.00 N ATOM 919 CA PRO T 60 1.403 -7.215 3.848 1.00 0.00 C ATOM 920 C PRO T 60 1.114 -8.685 3.558 1.00 0.00 C ATOM 921 O PRO T 60 1.996 -9.535 3.682 1.00 0.00 O ATOM 922 CB PRO T 60 0.113 -6.481 4.233 1.00 0.00 C ATOM 923 CG PRO T 60 0.194 -5.154 3.563 1.00 0.00 C ATOM 924 CD PRO T 60 1.005 -5.356 2.316 1.00 0.00 C ATOM 0 HA PRO T 60 2.153 -7.220 4.639 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.766 -7.034 3.903 1.00 0.00 H new ATOM 0 HB3 PRO T 60 0.033 -6.370 5.314 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.801 -4.779 3.322 1.00 0.00 H new ATOM 0 HG3 PRO T 60 0.663 -4.418 4.216 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.372 -5.575 1.456 1.00 0.00 H new ATOM 0 HD3 PRO T 60 1.586 -4.468 2.066 1.00 0.00 H new ATOM 932 N ILE T 61 -0.126 -8.975 3.172 1.00 0.00 N ATOM 933 CA ILE T 61 -0.535 -10.341 2.862 1.00 0.00 C ATOM 934 C ILE T 61 -0.724 -11.162 4.132 1.00 0.00 C ATOM 935 O ILE T 61 0.244 -11.518 4.803 1.00 0.00 O ATOM 936 CB ILE T 61 0.490 -11.049 1.953 1.00 0.00 C ATOM 937 CG1 ILE T 61 0.841 -10.164 0.757 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.053 -12.390 1.484 1.00 0.00 C ATOM 939 CD1 ILE T 61 -0.346 -9.842 -0.124 1.00 0.00 C ATOM 0 H ILE T 61 -0.866 -8.281 3.067 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.486 -10.270 2.334 1.00 0.00 H new ATOM 0 HB ILE T 61 1.398 -11.228 2.528 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.278 -9.233 1.119 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.604 -10.662 0.158 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.683 -12.877 0.844 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.257 -13.022 2.348 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.975 -12.233 0.924 1.00 0.00 H new ATOM 0 HD11 ILE T 61 -0.024 -9.211 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.770 -10.767 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -1.101 -9.316 0.460 1.00 0.00 H new ATOM 951 N VAL T 62 -1.979 -11.459 4.456 1.00 0.00 N ATOM 952 CA VAL T 62 -2.293 -12.238 5.646 1.00 0.00 C ATOM 953 C VAL T 62 -2.113 -13.730 5.385 1.00 0.00 C ATOM 954 O VAL T 62 -1.642 -14.470 6.249 1.00 0.00 O ATOM 955 CB VAL T 62 -3.736 -11.986 6.127 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.785 -11.900 7.644 1.00 0.00 C ATOM 957 CG2 VAL T 62 -4.303 -10.726 5.493 1.00 0.00 C ATOM 0 H VAL T 62 -2.792 -11.172 3.912 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.600 -11.916 6.424 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.354 -12.827 5.814 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.811 -11.722 7.965 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -3.428 -12.836 8.073 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -3.151 -11.080 7.983 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -5.322 -10.568 5.846 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.686 -9.871 5.769 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.308 -10.835 4.408 1.00 0.00 H new ATOM 1104 N THR T 73 5.987 -14.101 5.255 1.00 0.00 N ATOM 1105 CA THR T 73 5.055 -13.863 6.348 1.00 0.00 C ATOM 1106 C THR T 73 5.159 -12.429 6.857 1.00 0.00 C ATOM 1107 O THR T 73 6.252 -11.933 7.131 1.00 0.00 O ATOM 1108 CB THR T 73 5.307 -14.830 7.516 1.00 0.00 C ATOM 1109 OG1 THR T 73 6.639 -15.353 7.442 1.00 0.00 O ATOM 1110 CG2 THR T 73 4.306 -15.974 7.494 1.00 0.00 C ATOM 0 HA THR T 73 4.053 -14.033 5.954 1.00 0.00 H new ATOM 0 HB THR T 73 5.186 -14.279 8.448 1.00 0.00 H new ATOM 0 HG1 THR T 73 7.013 -15.170 6.555 1.00 0.00 H new ATOM 0 HG21 THR T 73 4.503 -16.646 8.329 1.00 0.00 H new ATOM 0 HG22 THR T 73 3.295 -15.575 7.580 1.00 0.00 H new ATOM 0 HG23 THR T 73 4.401 -16.523 6.557 1.00 0.00 H new ATOM 1118 N GLY T 74 4.013 -11.769 6.979 1.00 0.00 N ATOM 1119 CA GLY T 74 3.993 -10.397 7.453 1.00 0.00 C ATOM 1120 C GLY T 74 4.195 -9.411 6.321 1.00 0.00 C ATOM 1121 O GLY T 74 4.418 -9.807 5.177 1.00 0.00 O ATOM 0 H GLY T 74 3.097 -12.159 6.758 1.00 0.00 H new ATOM 0 HA2 GLY T 74 3.042 -10.196 7.946 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.774 -10.259 8.200 1.00 0.00 H new ATOM 1125 N ILE T 75 4.116 -8.122 6.635 1.00 0.00 N ATOM 1126 CA ILE T 75 4.292 -7.087 5.626 1.00 0.00 C ATOM 1127 C ILE T 75 5.731 -7.046 5.131 1.00 0.00 C ATOM 1128 O ILE T 75 6.648 -6.695 5.872 1.00 0.00 O ATOM 1129 CB ILE T 75 3.898 -5.698 6.157 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.537 -5.771 6.854 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.872 -4.687 5.019 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.773 -4.467 6.845 1.00 0.00 C ATOM 0 H ILE T 75 3.932 -7.772 7.575 1.00 0.00 H new ATOM 0 HA ILE T 75 3.631 -7.342 4.797 1.00 0.00 H new ATOM 0 HB ILE T 75 4.640 -5.371 6.885 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.933 -6.538 6.370 1.00 0.00 H new ATOM 0 HG13 ILE T 75 2.685 -6.087 7.887 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.592 -3.708 5.408 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.860 -4.627 4.563 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.145 -5.001 4.270 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.820 -4.600 7.357 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.356 -3.700 7.356 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.591 -4.159 5.815 1.00 0.00 H new ATOM 1144 N ILE T 76 5.915 -7.414 3.870 1.00 0.00 N ATOM 1145 CA ILE T 76 7.237 -7.430 3.259 1.00 0.00 C ATOM 1146 C ILE T 76 7.586 -6.068 2.669 1.00 0.00 C ATOM 1147 O ILE T 76 7.323 -5.802 1.497 1.00 0.00 O ATOM 1148 CB ILE T 76 7.324 -8.499 2.152 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.851 -9.857 2.676 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.744 -8.597 1.619 1.00 0.00 C ATOM 1151 CD1 ILE T 76 7.282 -10.146 4.097 1.00 0.00 C ATOM 0 H ILE T 76 5.161 -7.707 3.248 1.00 0.00 H new ATOM 0 HA ILE T 76 7.951 -7.672 4.046 1.00 0.00 H new ATOM 0 HB ILE T 76 6.668 -8.201 1.334 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.763 -9.899 2.620 1.00 0.00 H new ATOM 0 HG13 ILE T 76 7.234 -10.641 2.023 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.788 -9.356 0.838 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.045 -7.634 1.206 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.419 -8.871 2.430 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.910 -11.125 4.398 1.00 0.00 H new ATOM 0 HD12 ILE T 76 8.370 -10.138 4.156 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.877 -9.384 4.762 1.00 0.00 H new ATOM 1163 N ASP T 77 8.181 -5.208 3.490 1.00 0.00 N ATOM 1164 CA ASP T 77 8.567 -3.872 3.050 1.00 0.00 C ATOM 1165 C ASP T 77 10.085 -3.725 3.022 1.00 0.00 C ATOM 1166 O ASP T 77 10.741 -3.745 4.063 1.00 0.00 O ATOM 1167 CB ASP T 77 7.958 -2.813 3.972 1.00 0.00 C ATOM 1168 CG ASP T 77 7.767 -1.479 3.276 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.768 -0.917 2.787 1.00 0.00 O ATOM 1170 OD2 ASP T 77 6.616 -0.997 3.221 1.00 0.00 O ATOM 0 H ASP T 77 8.406 -5.413 4.464 1.00 0.00 H new ATOM 0 HA ASP T 77 8.187 -3.726 2.039 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.996 -3.167 4.342 1.00 0.00 H new ATOM 0 HB3 ASP T 77 8.603 -2.677 4.840 1.00 0.00 H new ATOM 1175 N TYR T 78 10.637 -3.578 1.821 1.00 0.00 N ATOM 1176 CA TYR T 78 12.073 -3.430 1.650 1.00 0.00 C ATOM 1177 C TYR T 78 12.515 -2.002 1.956 1.00 0.00 C ATOM 1178 O TYR T 78 13.683 -1.654 1.786 1.00 0.00 O ATOM 1179 CB TYR T 78 12.467 -3.799 0.220 1.00 0.00 C ATOM 1180 CG TYR T 78 12.129 -5.223 -0.156 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.810 -5.659 -0.184 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.127 -6.132 -0.484 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.496 -6.959 -0.528 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.821 -7.435 -0.829 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.504 -7.843 -0.849 1.00 0.00 C ATOM 1186 OH TYR T 78 11.195 -9.139 -1.193 1.00 0.00 O ATOM 0 H TYR T 78 10.106 -3.559 0.950 1.00 0.00 H new ATOM 0 HA TYR T 78 12.572 -4.101 2.349 1.00 0.00 H new ATOM 0 HB2 TYR T 78 11.966 -3.122 -0.472 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.539 -3.645 0.097 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.017 -4.970 0.067 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.159 -5.815 -0.469 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.465 -7.282 -0.545 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.609 -8.129 -1.081 1.00 0.00 H new ATOM 0 HH TYR T 78 12.019 -9.630 -1.391 1.00 0.00 H new ATOM 1196 N GLY T 79 11.572 -1.180 2.401 1.00 0.00 N ATOM 1197 CA GLY T 79 11.885 0.201 2.717 1.00 0.00 C ATOM 1198 C GLY T 79 12.018 1.027 1.453 1.00 0.00 C ATOM 1199 O GLY T 79 12.042 0.481 0.350 1.00 0.00 O ATOM 0 H GLY T 79 10.598 -1.444 2.548 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.103 0.620 3.350 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.814 0.247 3.286 1.00 0.00 H new ATOM 1203 N ILE T 80 12.102 2.344 1.609 1.00 0.00 N ATOM 1204 CA ILE T 80 12.231 3.240 0.471 1.00 0.00 C ATOM 1205 C ILE T 80 13.314 2.764 -0.485 1.00 0.00 C ATOM 1206 O ILE T 80 14.354 2.256 -0.065 1.00 0.00 O ATOM 1207 CB ILE T 80 12.552 4.669 0.927 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.622 5.067 2.071 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.431 5.642 -0.237 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.776 6.507 2.513 1.00 0.00 C ATOM 0 H ILE T 80 12.083 2.813 2.515 1.00 0.00 H new ATOM 0 HA ILE T 80 11.273 3.237 -0.048 1.00 0.00 H new ATOM 0 HB ILE T 80 13.581 4.705 1.286 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.590 4.900 1.762 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.809 4.413 2.923 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.662 6.650 0.106 1.00 0.00 H new ATOM 0 HG22 ILE T 80 13.130 5.357 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.414 5.616 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE T 80 11.083 6.714 3.328 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.797 6.676 2.854 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.559 7.170 1.675 1.00 0.00 H new ATOM 1222 N ARG T 81 13.059 2.933 -1.774 1.00 0.00 N ATOM 1223 CA ARG T 81 14.007 2.523 -2.805 1.00 0.00 C ATOM 1224 C ARG T 81 14.660 3.735 -3.461 1.00 0.00 C ATOM 1225 O ARG T 81 15.258 3.626 -4.531 1.00 0.00 O ATOM 1226 CB ARG T 81 13.304 1.673 -3.864 1.00 0.00 C ATOM 1227 CG ARG T 81 12.622 0.437 -3.297 1.00 0.00 C ATOM 1228 CD ARG T 81 13.500 -0.797 -3.435 1.00 0.00 C ATOM 1229 NE ARG T 81 13.129 -1.603 -4.594 1.00 0.00 N ATOM 1230 CZ ARG T 81 12.402 -2.713 -4.517 1.00 0.00 C ATOM 1231 NH1 ARG T 81 11.968 -3.145 -3.342 1.00 0.00 N ATOM 1232 NH2 ARG T 81 12.107 -3.392 -5.618 1.00 0.00 N ATOM 0 H ARG T 81 12.202 3.352 -2.134 1.00 0.00 H new ATOM 0 HA ARG T 81 14.786 1.928 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG T 81 12.561 2.285 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG T 81 14.033 1.364 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG T 81 12.385 0.601 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG T 81 11.677 0.272 -3.814 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.543 -0.492 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG T 81 13.420 -1.402 -2.532 1.00 0.00 H new ATOM 0 HE ARG T 81 13.445 -1.297 -5.514 1.00 0.00 H new ATOM 0 HH11 ARG T 81 12.192 -2.625 -2.493 1.00 0.00 H new ATOM 0 HH12 ARG T 81 11.410 -3.997 -3.286 1.00 0.00 H new ATOM 0 HH21 ARG T 81 12.438 -3.062 -6.525 1.00 0.00 H new ATOM 0 HH22 ARG T 81 11.549 -4.244 -5.558 1.00 0.00 H new ATOM 1246 N LEU T 82 14.544 4.889 -2.810 1.00 0.00 N ATOM 1247 CA LEU T 82 15.125 6.122 -3.329 1.00 0.00 C ATOM 1248 C LEU T 82 14.660 6.385 -4.759 1.00 0.00 C ATOM 1249 O LEU T 82 15.417 6.900 -5.583 1.00 0.00 O ATOM 1250 CB LEU T 82 16.653 6.051 -3.280 1.00 0.00 C ATOM 1251 CG LEU T 82 17.361 7.321 -2.802 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.910 8.526 -3.614 1.00 0.00 C ATOM 1253 CD2 LEU T 82 17.103 7.549 -1.321 1.00 0.00 C ATOM 0 H LEU T 82 14.053 4.995 -1.922 1.00 0.00 H new ATOM 0 HA LEU T 82 14.787 6.946 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.939 5.229 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU T 82 17.019 5.806 -4.277 1.00 0.00 H new ATOM 0 HG LEU T 82 18.433 7.191 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU T 82 17.425 9.418 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU T 82 17.147 8.365 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.834 8.659 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU T 82 17.614 8.456 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU T 82 16.032 7.656 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU T 82 17.478 6.699 -0.751 1.00 0.00 H new ATOM 1265 N ASN T 83 13.413 6.026 -5.046 1.00 0.00 N ATOM 1266 CA ASN T 83 12.849 6.223 -6.376 1.00 0.00 C ATOM 1267 C ASN T 83 11.343 5.982 -6.371 1.00 0.00 C ATOM 1268 O ASN T 83 10.880 4.879 -6.660 1.00 0.00 O ATOM 1269 CB ASN T 83 13.524 5.288 -7.382 1.00 0.00 C ATOM 1270 CG ASN T 83 13.178 5.639 -8.816 1.00 0.00 C ATOM 1271 OD1 ASN T 83 13.250 6.923 -9.145 1.00 0.00 O flip ATOM 1272 ND2 ASN T 83 12.851 4.766 -9.619 1.00 0.00 N flip ATOM 0 H ASN T 83 12.774 5.598 -4.376 1.00 0.00 H new ATOM 0 HA ASN T 83 13.031 7.256 -6.671 1.00 0.00 H new ATOM 0 HB2 ASN T 83 14.605 5.335 -7.250 1.00 0.00 H new ATOM 0 HB3 ASN T 83 13.222 4.261 -7.179 1.00 0.00 H new ATOM 0 HD21 ASN T 83 12.809 3.791 -9.323 1.00 0.00 H new ATOM 0 HD22 ASN T 83 12.622 5.017 -10.581 1.00 0.00 H new ATOM 1279 N ARG T 84 10.584 7.023 -6.044 1.00 0.00 N ATOM 1280 CA ARG T 84 9.130 6.926 -6.002 1.00 0.00 C ATOM 1281 C ARG T 84 8.554 6.792 -7.408 1.00 0.00 C ATOM 1282 O ARG T 84 7.341 6.680 -7.583 1.00 0.00 O ATOM 1283 CB ARG T 84 8.537 8.155 -5.314 1.00 0.00 C ATOM 1284 CG ARG T 84 9.467 8.794 -4.297 1.00 0.00 C ATOM 1285 CD ARG T 84 9.907 10.181 -4.735 1.00 0.00 C ATOM 1286 NE ARG T 84 10.652 10.878 -3.691 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.774 11.556 -3.914 1.00 0.00 C ATOM 1288 NH1 ARG T 84 12.277 11.626 -5.138 1.00 0.00 N ATOM 1289 NH2 ARG T 84 12.394 12.165 -2.912 1.00 0.00 N ATOM 0 H ARG T 84 10.952 7.944 -5.804 1.00 0.00 H new ATOM 0 HA ARG T 84 8.866 6.035 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG T 84 8.278 8.895 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.610 7.870 -4.817 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.963 8.859 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.343 8.161 -4.156 1.00 0.00 H new ATOM 0 HD2 ARG T 84 10.527 10.099 -5.628 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.031 10.769 -5.008 1.00 0.00 H new ATOM 0 HE ARG T 84 10.292 10.843 -2.737 1.00 0.00 H new ATOM 0 HH11 ARG T 84 11.803 11.159 -5.911 1.00 0.00 H new ATOM 0 HH12 ARG T 84 13.138 12.147 -5.307 1.00 0.00 H new ATOM 0 HH21 ARG T 84 12.010 12.114 -1.968 1.00 0.00 H new ATOM 0 HH22 ARG T 84 13.255 12.685 -3.085 1.00 0.00 H new ATOM 1303 N SER T 85 9.429 6.809 -8.405 1.00 0.00 N ATOM 1304 CA SER T 85 9.008 6.692 -9.797 1.00 0.00 C ATOM 1305 C SER T 85 8.660 5.248 -10.143 1.00 0.00 C ATOM 1306 O SER T 85 8.550 4.890 -11.315 1.00 0.00 O ATOM 1307 CB SER T 85 10.109 7.200 -10.729 1.00 0.00 C ATOM 1308 OG SER T 85 11.008 6.161 -11.073 1.00 0.00 O ATOM 0 H SER T 85 10.437 6.903 -8.276 1.00 0.00 H new ATOM 0 HA SER T 85 8.116 7.303 -9.932 1.00 0.00 H new ATOM 0 HB2 SER T 85 9.662 7.612 -11.634 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.654 8.011 -10.245 1.00 0.00 H new ATOM 0 HG SER T 85 11.701 6.512 -11.670 1.00 0.00 H new ATOM 1314 N GLU T 86 8.486 4.424 -9.115 1.00 0.00 N ATOM 1315 CA GLU T 86 8.148 3.020 -9.312 1.00 0.00 C ATOM 1316 C GLU T 86 6.688 2.867 -9.719 1.00 0.00 C ATOM 1317 O GLU T 86 5.993 3.856 -9.955 1.00 0.00 O ATOM 1318 CB GLU T 86 8.417 2.231 -8.031 1.00 0.00 C ATOM 1319 CG GLU T 86 9.872 1.825 -7.863 1.00 0.00 C ATOM 1320 CD GLU T 86 10.125 0.384 -8.263 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.567 -0.053 -9.291 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.884 -0.305 -7.550 1.00 0.00 O ATOM 0 H GLU T 86 8.573 4.704 -8.138 1.00 0.00 H new ATOM 0 HA GLU T 86 8.773 2.626 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.114 2.832 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.796 1.336 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.500 2.481 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.167 1.967 -6.823 1.00 0.00 H new ATOM 1329 N ARG T 87 6.226 1.624 -9.799 1.00 0.00 N ATOM 1330 CA ARG T 87 4.846 1.349 -10.175 1.00 0.00 C ATOM 1331 C ARG T 87 4.253 0.242 -9.313 1.00 0.00 C ATOM 1332 O ARG T 87 4.673 -0.913 -9.388 1.00 0.00 O ATOM 1333 CB ARG T 87 4.757 0.957 -11.647 1.00 0.00 C ATOM 1334 CG ARG T 87 5.813 -0.043 -12.081 1.00 0.00 C ATOM 1335 CD ARG T 87 5.202 -1.391 -12.429 1.00 0.00 C ATOM 1336 NE ARG T 87 6.224 -2.414 -12.638 1.00 0.00 N ATOM 1337 CZ ARG T 87 6.021 -3.525 -13.338 1.00 0.00 C ATOM 1338 NH1 ARG T 87 4.838 -3.756 -13.892 1.00 0.00 N ATOM 1339 NH2 ARG T 87 7.001 -4.406 -13.484 1.00 0.00 N ATOM 0 H ARG T 87 6.786 0.793 -9.609 1.00 0.00 H new ATOM 0 HA ARG T 87 4.272 2.262 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.770 0.537 -11.842 1.00 0.00 H new ATOM 0 HB3 ARG T 87 4.848 1.855 -12.258 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.350 0.347 -12.946 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.544 -0.170 -11.282 1.00 0.00 H new ATOM 0 HD2 ARG T 87 4.533 -1.704 -11.627 1.00 0.00 H new ATOM 0 HD3 ARG T 87 4.596 -1.293 -13.330 1.00 0.00 H new ATOM 0 HE ARG T 87 7.144 -2.267 -12.224 1.00 0.00 H new ATOM 0 HH11 ARG T 87 4.082 -3.080 -13.781 1.00 0.00 H new ATOM 0 HH12 ARG T 87 4.684 -4.609 -14.429 1.00 0.00 H new ATOM 0 HH21 ARG T 87 7.912 -4.231 -13.059 1.00 0.00 H new ATOM 0 HH22 ARG T 87 6.844 -5.259 -14.021 1.00 0.00 H new ATOM 1353 N TRP T 88 3.268 0.605 -8.503 1.00 0.00 N ATOM 1354 CA TRP T 88 2.599 -0.347 -7.625 1.00 0.00 C ATOM 1355 C TRP T 88 1.159 0.084 -7.368 1.00 0.00 C ATOM 1356 O TRP T 88 0.459 0.526 -8.278 1.00 0.00 O ATOM 1357 CB TRP T 88 3.340 -0.472 -6.290 1.00 0.00 C ATOM 1358 CG TRP T 88 4.832 -0.478 -6.415 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.677 0.557 -6.141 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.656 -1.572 -6.835 1.00 0.00 C ATOM 1361 NE1 TRP T 88 6.978 0.177 -6.368 1.00 0.00 N ATOM 1362 CE2 TRP T 88 6.991 -1.126 -6.795 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.397 -2.884 -7.242 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.061 -1.945 -7.145 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.460 -3.697 -7.590 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.778 -3.225 -7.539 1.00 0.00 C ATOM 0 H TRP T 88 2.912 1.559 -8.435 1.00 0.00 H new ATOM 0 HA TRP T 88 2.601 -1.317 -8.122 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.044 0.355 -5.644 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.024 -1.391 -5.796 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.369 1.533 -5.796 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.800 0.768 -6.240 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.384 -3.256 -7.284 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.078 -1.583 -7.107 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.271 -4.712 -7.906 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.587 -3.884 -7.816 1.00 0.00 H new ATOM 1377 N ASP T 89 0.731 -0.042 -6.116 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.617 0.339 -5.722 1.00 0.00 C ATOM 1379 C ASP T 89 -0.575 1.493 -4.729 1.00 0.00 C ATOM 1380 O ASP T 89 0.456 2.148 -4.568 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.348 -0.855 -5.105 1.00 0.00 C ATOM 1382 CG ASP T 89 -1.191 -2.113 -5.936 1.00 0.00 C ATOM 1383 OD1 ASP T 89 -0.038 -2.489 -6.232 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -2.222 -2.722 -6.289 1.00 0.00 O ATOM 0 H ASP T 89 1.303 -0.407 -5.355 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.157 0.662 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -0.964 -1.035 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.407 -0.618 -5.004 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.696 1.743 -4.062 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.772 2.823 -3.088 1.00 0.00 C ATOM 1391 C ALA T 90 -2.722 2.481 -1.945 1.00 0.00 C ATOM 1392 O ALA T 90 -3.879 2.125 -2.172 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.212 4.108 -3.770 1.00 0.00 C ATOM 0 H ALA T 90 -2.561 1.215 -4.178 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.778 2.962 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.266 4.910 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.492 4.374 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.194 3.963 -4.221 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.229 2.596 -0.716 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.034 2.307 0.463 1.00 0.00 C ATOM 1401 C TYR T 91 -3.608 3.593 1.049 1.00 0.00 C ATOM 1402 O TYR T 91 -2.884 4.391 1.641 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.189 1.593 1.518 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.019 0.111 1.274 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.110 -0.750 1.295 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -0.765 -0.426 1.022 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -2.953 -2.105 1.071 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.599 -1.778 0.797 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.696 -2.614 0.822 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.535 -3.962 0.597 1.00 0.00 O ATOM 0 H TYR T 91 -1.273 2.888 -0.512 1.00 0.00 H new ATOM 0 HA TYR T 91 -3.857 1.658 0.164 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.204 2.059 1.556 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -2.649 1.739 2.496 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.096 -0.354 1.489 1.00 0.00 H new ATOM 0 HD2 TYR T 91 0.097 0.225 1.001 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -3.810 -2.761 1.091 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.385 -2.179 0.602 1.00 0.00 H new ATOM 0 HH TYR T 91 -0.651 -4.125 0.206 1.00 0.00 H new ATOM 1420 N CYS T 92 -4.910 3.789 0.880 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.572 4.980 1.398 1.00 0.00 C ATOM 1422 C CYS T 92 -5.966 4.785 2.857 1.00 0.00 C ATOM 1423 O CYS T 92 -6.152 3.657 3.313 1.00 0.00 O ATOM 1424 CB CYS T 92 -6.810 5.306 0.560 1.00 0.00 C ATOM 1425 SG CYS T 92 -7.333 7.052 0.641 1.00 0.00 S ATOM 0 H CYS T 92 -5.527 3.141 0.390 1.00 0.00 H new ATOM 0 HA CYS T 92 -4.873 5.814 1.336 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -6.609 5.047 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -7.635 4.676 0.892 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.090 5.888 3.585 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.459 5.836 4.992 1.00 0.00 C ATOM 1432 C TYR T 93 -7.351 7.012 5.366 1.00 0.00 C ATOM 1433 O TYR T 93 -6.976 8.171 5.191 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.208 5.833 5.872 1.00 0.00 C ATOM 1435 CG TYR T 93 -5.516 5.661 7.342 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.087 6.694 8.077 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.242 4.466 7.992 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.376 6.540 9.419 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -5.527 4.303 9.335 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.094 5.343 10.043 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.380 5.184 11.380 1.00 0.00 O ATOM 0 H TYR T 93 -5.940 6.830 3.223 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.015 4.913 5.159 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -4.546 5.029 5.549 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -4.667 6.768 5.727 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.308 7.632 7.591 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -4.799 3.650 7.440 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -6.820 7.352 9.976 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.307 3.367 9.827 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.121 4.283 11.665 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.531 6.704 5.889 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.478 7.731 6.299 1.00 0.00 C ATOM 1453 C ASN T 94 -10.140 7.345 7.617 1.00 0.00 C ATOM 1454 O ASN T 94 -10.454 6.176 7.843 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.541 7.936 5.219 1.00 0.00 C ATOM 1456 CG ASN T 94 -9.953 8.398 3.900 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.119 7.714 3.305 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.387 9.562 3.434 1.00 0.00 N ATOM 0 H ASN T 94 -8.855 5.749 6.039 1.00 0.00 H new ATOM 0 HA ASN T 94 -8.935 8.666 6.439 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.081 7.002 5.064 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.268 8.671 5.565 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.029 9.923 2.550 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.079 10.096 3.960 1.00 0.00 H new