USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 967 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: A 130 SER OG : rot 101:sc= -0.51 USER MOD Set 1.2: A 131 LYS NZ :NH3+ 158:sc= 0.644 (180deg=0) USER MOD Set 2.1: A 58 SER OG : rot 94:sc= 0.0326 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -1.67 K(o=-1.6,f=-5.7!) USER MOD Set 3.1: A 51 THR OG1 : rot -113:sc= -6.3! USER MOD Set 3.2: A 57 GLN : amide:sc= -3.53 K(o=-9.8,f=-21!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -20:sc= -2.43 USER MOD Single : A 11 SER OG : rot -74:sc= 0.935 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 103:sc= -4.18! USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.126) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 27 GLN : amide:sc= -0.0432 K(o=-0.043,f=-0.8) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 41:sc= 0.198 USER MOD Single : A 38 GLN : amide:sc=-0.00233 X(o=-0.0023,f=-0.011) USER MOD Single : A 40 MET CE :methyl -155:sc= -5.64! (180deg=-6.82!) USER MOD Single : A 41 THR OG1 : rot -33:sc= 1.28 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.81) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 25:sc= -3.49! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -5:sc= -0.606 USER MOD Single : A 81 THR OG1 : rot 157:sc= -2.23! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -1.78 F(o=-2.3,f=-1.8) USER MOD Single : A 85 TYR OH : rot 106:sc= -1.11 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0054 USER MOD Single : A 95 ASN : amide:sc= -0.0606 X(o=-0.061,f=-0.049) USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0432) USER MOD Single : A 101 TYR OH : rot 132:sc= -7.24! USER MOD Single : A 105 HIS :FLIP no HD1:sc= -4.33! C(o=-7.2!,f=-4.3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN :FLIP amide:sc= -0.101 F(o=-1.1,f=-0.1) USER MOD Single : A 127 THR OG1 : rot 75:sc= 0.309 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.56 K(o=-1.6,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -10.185 10.216 2.620 1.00 0.00 N ATOM 21 CA ARG A 2 -9.323 9.478 3.533 1.00 0.00 C ATOM 22 C ARG A 2 -8.795 8.206 2.878 1.00 0.00 C ATOM 23 O ARG A 2 -9.451 7.619 2.019 1.00 0.00 O ATOM 24 CB ARG A 2 -10.087 9.131 4.813 1.00 0.00 C ATOM 25 CG ARG A 2 -9.772 10.057 5.974 1.00 0.00 C ATOM 26 CD ARG A 2 -11.027 10.437 6.745 1.00 0.00 C ATOM 27 NE ARG A 2 -10.831 10.344 8.190 1.00 0.00 N ATOM 28 CZ ARG A 2 -11.674 10.851 9.087 1.00 0.00 C ATOM 29 NH1 ARG A 2 -12.771 11.486 8.692 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.422 10.721 10.382 1.00 0.00 N ATOM 0 HA ARG A 2 -8.472 10.111 3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.157 9.167 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.852 8.106 5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.065 9.571 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.288 10.959 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.319 11.454 6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.847 9.783 6.448 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.999 9.862 8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.971 11.587 7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.413 11.873 9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.582 10.232 10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.068 11.110 11.069 1.00 0.00 H new ATOM 44 N ILE A 3 -7.606 7.783 3.297 1.00 0.00 N ATOM 45 CA ILE A 3 -6.989 6.578 2.758 1.00 0.00 C ATOM 46 C ILE A 3 -7.811 5.348 3.114 1.00 0.00 C ATOM 47 O ILE A 3 -8.476 5.315 4.149 1.00 0.00 O ATOM 48 CB ILE A 3 -5.551 6.412 3.287 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.842 5.243 2.616 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.555 6.215 4.795 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.343 5.426 2.575 1.00 0.00 C ATOM 0 H ILE A 3 -7.051 8.258 4.009 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.954 6.680 1.673 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.007 7.325 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.079 4.323 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.219 5.128 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.531 6.100 5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.009 7.082 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.128 5.322 5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.885 4.566 2.087 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.102 6.331 2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.959 5.514 3.591 1.00 0.00 H new ATOM 63 N TYR A 4 -7.775 4.339 2.252 1.00 0.00 N ATOM 64 CA TYR A 4 -8.535 3.121 2.491 1.00 0.00 C ATOM 65 C TYR A 4 -7.628 1.904 2.635 1.00 0.00 C ATOM 66 O TYR A 4 -7.695 1.196 3.637 1.00 0.00 O ATOM 67 CB TYR A 4 -9.546 2.896 1.365 1.00 0.00 C ATOM 68 CG TYR A 4 -10.720 3.849 1.413 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.324 4.181 2.621 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.223 4.420 0.250 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.393 5.055 2.667 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.291 5.295 0.290 1.00 0.00 C ATOM 73 CZ TYR A 4 -12.873 5.609 1.500 1.00 0.00 C ATOM 74 OH TYR A 4 -13.937 6.480 1.543 1.00 0.00 O ATOM 0 H TYR A 4 -7.232 4.340 1.388 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.068 3.248 3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.040 3.003 0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.916 1.872 1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.951 3.749 3.538 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.772 4.176 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.850 5.303 3.613 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.669 5.731 -0.623 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.150 6.781 0.635 1.00 0.00 H new ATOM 84 N TYR A 5 -6.785 1.653 1.639 1.00 0.00 N ATOM 85 CA TYR A 5 -5.889 0.503 1.698 1.00 0.00 C ATOM 86 C TYR A 5 -4.437 0.898 1.479 1.00 0.00 C ATOM 87 O TYR A 5 -4.135 1.926 0.873 1.00 0.00 O ATOM 88 CB TYR A 5 -6.304 -0.558 0.672 1.00 0.00 C ATOM 89 CG TYR A 5 -5.388 -1.771 0.623 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.118 -1.698 0.055 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.797 -2.993 1.142 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.289 -2.801 0.008 1.00 0.00 C ATOM 93 CE2 TYR A 5 -4.972 -4.101 1.099 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.721 -4.001 0.531 1.00 0.00 C ATOM 95 OH TYR A 5 -2.899 -5.107 0.488 1.00 0.00 O ATOM 0 H TYR A 5 -6.703 2.219 0.795 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.971 0.085 2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.317 -0.891 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.334 -0.099 -0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.775 -0.760 -0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.777 -3.079 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.308 -2.724 -0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.307 -5.042 1.509 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.213 -4.978 -0.200 1.00 0.00 H new ATOM 105 N ILE A 6 -3.546 0.055 1.980 1.00 0.00 N ATOM 106 CA ILE A 6 -2.117 0.270 1.857 1.00 0.00 C ATOM 107 C ILE A 6 -1.380 -1.057 1.995 1.00 0.00 C ATOM 108 O ILE A 6 -1.960 -2.056 2.420 1.00 0.00 O ATOM 109 CB ILE A 6 -1.632 1.294 2.913 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.701 2.704 2.314 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.231 0.984 3.427 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.919 3.753 3.077 1.00 0.00 C ATOM 0 H ILE A 6 -3.796 -0.796 2.483 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.900 0.681 0.871 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.292 1.229 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.331 2.668 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.745 3.013 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.060 1.732 4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.223 -0.003 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.474 1.001 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.025 4.718 2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.302 3.824 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.134 3.473 3.104 1.00 0.00 H new ATOM 124 N GLY A 7 -0.109 -1.067 1.627 1.00 0.00 N ATOM 125 CA GLY A 7 0.669 -2.281 1.720 1.00 0.00 C ATOM 126 C GLY A 7 1.802 -2.326 0.722 1.00 0.00 C ATOM 127 O GLY A 7 2.185 -1.303 0.154 1.00 0.00 O ATOM 0 H GLY A 7 0.396 -0.258 1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.074 -2.371 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.016 -3.139 1.561 1.00 0.00 H new ATOM 131 N VAL A 8 2.340 -3.518 0.509 1.00 0.00 N ATOM 132 CA VAL A 8 3.438 -3.707 -0.426 1.00 0.00 C ATOM 133 C VAL A 8 3.137 -4.867 -1.366 1.00 0.00 C ATOM 134 O VAL A 8 2.238 -5.665 -1.101 1.00 0.00 O ATOM 135 CB VAL A 8 4.772 -3.974 0.293 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.925 -3.368 -0.484 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.754 -3.440 1.723 1.00 0.00 C ATOM 0 H VAL A 8 2.032 -4.372 0.974 1.00 0.00 H new ATOM 0 HA VAL A 8 3.536 -2.781 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 8 4.911 -5.054 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.860 -3.567 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.965 -3.810 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.779 -2.291 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.712 -3.646 2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.580 -2.364 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.957 -3.928 2.284 1.00 0.00 H new ATOM 147 N PHE A 9 3.864 -4.951 -2.475 1.00 0.00 N ATOM 148 CA PHE A 9 3.625 -6.011 -3.446 1.00 0.00 C ATOM 149 C PHE A 9 4.881 -6.388 -4.232 1.00 0.00 C ATOM 150 O PHE A 9 5.419 -5.582 -4.990 1.00 0.00 O ATOM 151 CB PHE A 9 2.540 -5.559 -4.407 1.00 0.00 C ATOM 152 CG PHE A 9 1.227 -5.294 -3.737 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.998 -4.105 -3.059 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.216 -6.233 -3.797 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.220 -3.868 -2.455 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.002 -5.997 -3.199 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.220 -4.814 -2.528 1.00 0.00 C ATOM 0 H PHE A 9 4.615 -4.306 -2.722 1.00 0.00 H new ATOM 0 HA PHE A 9 3.316 -6.900 -2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.870 -4.653 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.402 -6.322 -5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.778 -3.360 -3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.383 -7.164 -4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.390 -2.942 -1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.785 -6.739 -3.256 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.175 -4.628 -2.059 1.00 0.00 H new ATOM 167 N ARG A 10 5.323 -7.631 -4.067 1.00 0.00 N ATOM 168 CA ARG A 10 6.498 -8.125 -4.779 1.00 0.00 C ATOM 169 C ARG A 10 6.086 -8.769 -6.099 1.00 0.00 C ATOM 170 O ARG A 10 5.514 -9.860 -6.118 1.00 0.00 O ATOM 171 CB ARG A 10 7.270 -9.132 -3.920 1.00 0.00 C ATOM 172 CG ARG A 10 6.434 -10.322 -3.460 1.00 0.00 C ATOM 173 CD ARG A 10 7.143 -11.174 -2.406 1.00 0.00 C ATOM 174 NE ARG A 10 8.318 -10.515 -1.827 1.00 0.00 N ATOM 175 CZ ARG A 10 8.664 -10.600 -0.543 1.00 0.00 C ATOM 176 NH1 ARG A 10 7.957 -11.341 0.303 1.00 0.00 N ATOM 177 NH2 ARG A 10 9.730 -9.947 -0.106 1.00 0.00 N ATOM 0 H ARG A 10 4.887 -8.314 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 10 7.151 -7.278 -4.988 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.125 -9.499 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.666 -8.619 -3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.490 -9.961 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.192 -10.945 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.439 -11.414 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.449 -12.118 -2.857 1.00 0.00 H new ATOM 0 HE ARG A 10 8.907 -9.957 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.139 -11.853 -0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.232 -11.398 1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.282 -9.382 -0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.999 -10.009 0.876 1.00 0.00 H new ATOM 191 N SER A 11 6.372 -8.085 -7.203 1.00 0.00 N ATOM 192 CA SER A 11 6.025 -8.585 -8.532 1.00 0.00 C ATOM 193 C SER A 11 6.467 -10.034 -8.712 1.00 0.00 C ATOM 194 O SER A 11 7.662 -10.330 -8.743 1.00 0.00 O ATOM 195 CB SER A 11 6.664 -7.708 -9.610 1.00 0.00 C ATOM 196 OG SER A 11 8.073 -7.656 -9.456 1.00 0.00 O ATOM 0 H SER A 11 6.844 -7.181 -7.205 1.00 0.00 H new ATOM 0 HA SER A 11 4.940 -8.546 -8.631 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.417 -8.101 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.252 -6.701 -9.555 1.00 0.00 H new ATOM 0 HG SER A 11 8.297 -7.091 -8.687 1.00 0.00 H new ATOM 202 N GLY A 12 5.495 -10.933 -8.833 1.00 0.00 N ATOM 203 CA GLY A 12 5.803 -12.340 -9.010 1.00 0.00 C ATOM 204 C GLY A 12 4.611 -13.140 -9.498 1.00 0.00 C ATOM 205 O GLY A 12 3.785 -13.584 -8.700 1.00 0.00 O ATOM 0 H GLY A 12 4.499 -10.712 -8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.621 -12.442 -9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.151 -12.754 -8.064 1.00 0.00 H new ATOM 209 N GLY A 13 4.522 -13.326 -10.812 1.00 0.00 N ATOM 210 CA GLY A 13 3.420 -14.079 -11.382 1.00 0.00 C ATOM 211 C GLY A 13 2.574 -13.250 -12.328 1.00 0.00 C ATOM 212 O GLY A 13 2.991 -12.176 -12.766 1.00 0.00 O ATOM 0 H GLY A 13 5.193 -12.969 -11.492 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.814 -14.944 -11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.791 -14.460 -10.578 1.00 0.00 H new ATOM 216 N GLU A 14 1.382 -13.746 -12.645 1.00 0.00 N ATOM 217 CA GLU A 14 0.472 -13.045 -13.546 1.00 0.00 C ATOM 218 C GLU A 14 0.181 -11.635 -13.039 1.00 0.00 C ATOM 219 O GLU A 14 -0.127 -10.735 -13.821 1.00 0.00 O ATOM 220 CB GLU A 14 -0.836 -13.826 -13.692 1.00 0.00 C ATOM 221 CG GLU A 14 -1.831 -13.177 -14.640 1.00 0.00 C ATOM 222 CD GLU A 14 -1.491 -13.422 -16.097 1.00 0.00 C ATOM 223 OE1 GLU A 14 -0.516 -12.816 -16.589 1.00 0.00 O ATOM 224 OE2 GLU A 14 -2.201 -14.219 -16.746 1.00 0.00 O ATOM 0 H GLU A 14 1.023 -14.632 -12.291 1.00 0.00 H new ATOM 0 HA GLU A 14 0.954 -12.969 -14.521 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.611 -14.831 -14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.298 -13.931 -12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.829 -13.563 -14.434 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.859 -12.104 -14.453 1.00 0.00 H new ATOM 231 N LYS A 15 0.282 -11.451 -11.727 1.00 0.00 N ATOM 232 CA LYS A 15 0.034 -10.156 -11.114 1.00 0.00 C ATOM 233 C LYS A 15 0.987 -9.935 -9.944 1.00 0.00 C ATOM 234 O LYS A 15 1.976 -10.652 -9.797 1.00 0.00 O ATOM 235 CB LYS A 15 -1.418 -10.064 -10.641 1.00 0.00 C ATOM 236 CG LYS A 15 -1.767 -11.059 -9.548 1.00 0.00 C ATOM 237 CD LYS A 15 -2.365 -12.332 -10.124 1.00 0.00 C ATOM 238 CE LYS A 15 -3.872 -12.379 -9.927 1.00 0.00 C ATOM 239 NZ LYS A 15 -4.592 -11.561 -10.942 1.00 0.00 N ATOM 0 H LYS A 15 0.535 -12.187 -11.067 1.00 0.00 H new ATOM 0 HA LYS A 15 0.208 -9.378 -11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.609 -9.055 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.079 -10.226 -11.492 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.871 -11.303 -8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.474 -10.605 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.134 -12.395 -11.187 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.907 -13.199 -9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.213 -13.412 -9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.119 -12.018 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.616 -11.620 -10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.286 -10.570 -10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.377 -11.921 -11.894 1.00 0.00 H new ATOM 253 N ALA A 16 0.687 -8.944 -9.117 1.00 0.00 N ATOM 254 CA ALA A 16 1.523 -8.638 -7.965 1.00 0.00 C ATOM 255 C ALA A 16 1.216 -9.571 -6.800 1.00 0.00 C ATOM 256 O ALA A 16 0.088 -10.038 -6.645 1.00 0.00 O ATOM 257 CB ALA A 16 1.328 -7.193 -7.550 1.00 0.00 C ATOM 0 H ALA A 16 -0.128 -8.339 -9.222 1.00 0.00 H new ATOM 0 HA ALA A 16 2.564 -8.789 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.958 -6.974 -6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.603 -6.537 -8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.283 -7.028 -7.288 1.00 0.00 H new ATOM 263 N LEU A 17 2.228 -9.835 -5.981 1.00 0.00 N ATOM 264 CA LEU A 17 2.065 -10.708 -4.827 1.00 0.00 C ATOM 265 C LEU A 17 1.603 -9.914 -3.610 1.00 0.00 C ATOM 266 O LEU A 17 1.936 -8.738 -3.461 1.00 0.00 O ATOM 267 CB LEU A 17 3.377 -11.430 -4.517 1.00 0.00 C ATOM 268 CG LEU A 17 3.249 -12.621 -3.564 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.003 -13.824 -4.107 1.00 0.00 C ATOM 270 CD2 LEU A 17 3.758 -12.251 -2.177 1.00 0.00 C ATOM 0 H LEU A 17 3.168 -9.457 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 17 1.302 -11.449 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.813 -11.778 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.076 -10.713 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 17 2.195 -12.886 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.900 -14.660 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.593 -14.103 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.058 -13.573 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.660 -13.109 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.806 -11.959 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.173 -11.419 -1.785 1.00 0.00 H new ATOM 282 N GLU A 18 0.829 -10.561 -2.748 1.00 0.00 N ATOM 283 CA GLU A 18 0.310 -9.914 -1.548 1.00 0.00 C ATOM 284 C GLU A 18 1.402 -9.740 -0.491 1.00 0.00 C ATOM 285 O GLU A 18 1.427 -10.452 0.512 1.00 0.00 O ATOM 286 CB GLU A 18 -0.854 -10.725 -0.971 1.00 0.00 C ATOM 287 CG GLU A 18 -1.996 -9.865 -0.455 1.00 0.00 C ATOM 288 CD GLU A 18 -2.828 -10.572 0.597 1.00 0.00 C ATOM 289 OE1 GLU A 18 -3.378 -11.651 0.293 1.00 0.00 O ATOM 290 OE2 GLU A 18 -2.930 -10.046 1.726 1.00 0.00 O ATOM 0 H GLU A 18 0.546 -11.535 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.047 -8.924 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.235 -11.397 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.484 -11.349 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.592 -8.944 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.637 -9.580 -1.289 1.00 0.00 H new ATOM 297 N LEU A 19 2.294 -8.779 -0.719 1.00 0.00 N ATOM 298 CA LEU A 19 3.377 -8.502 0.221 1.00 0.00 C ATOM 299 C LEU A 19 2.810 -8.122 1.585 1.00 0.00 C ATOM 300 O LEU A 19 2.684 -8.967 2.471 1.00 0.00 O ATOM 301 CB LEU A 19 4.266 -7.384 -0.324 1.00 0.00 C ATOM 302 CG LEU A 19 5.768 -7.625 -0.220 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.124 -9.034 -0.660 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.522 -6.602 -1.055 1.00 0.00 C ATOM 0 H LEU A 19 2.288 -8.180 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 19 3.982 -9.401 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.014 -7.223 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.027 -6.463 0.207 1.00 0.00 H new ATOM 0 HG LEU A 19 6.061 -7.513 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.201 -9.180 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.610 -9.755 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.817 -9.180 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.594 -6.784 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.218 -6.689 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.296 -5.599 -0.693 1.00 0.00 H new ATOM 316 N SER A 20 2.437 -6.856 1.738 1.00 0.00 N ATOM 317 CA SER A 20 1.851 -6.381 2.978 1.00 0.00 C ATOM 318 C SER A 20 0.415 -5.958 2.709 1.00 0.00 C ATOM 319 O SER A 20 0.150 -5.264 1.728 1.00 0.00 O ATOM 320 CB SER A 20 2.644 -5.207 3.551 1.00 0.00 C ATOM 321 OG SER A 20 2.119 -4.806 4.805 1.00 0.00 O ATOM 0 H SER A 20 2.532 -6.142 1.015 1.00 0.00 H new ATOM 0 HA SER A 20 1.875 -7.186 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.690 -5.490 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.614 -4.369 2.855 1.00 0.00 H new ATOM 0 HG SER A 20 2.694 -5.143 5.523 1.00 0.00 H new ATOM 327 N GLU A 21 -0.521 -6.387 3.546 1.00 0.00 N ATOM 328 CA GLU A 21 -1.917 -6.040 3.326 1.00 0.00 C ATOM 329 C GLU A 21 -2.547 -5.356 4.534 1.00 0.00 C ATOM 330 O GLU A 21 -2.756 -5.970 5.579 1.00 0.00 O ATOM 331 CB GLU A 21 -2.713 -7.292 2.962 1.00 0.00 C ATOM 332 CG GLU A 21 -4.113 -6.990 2.463 1.00 0.00 C ATOM 333 CD GLU A 21 -5.079 -8.135 2.707 1.00 0.00 C ATOM 334 OE1 GLU A 21 -5.302 -8.483 3.885 1.00 0.00 O ATOM 335 OE2 GLU A 21 -5.611 -8.681 1.718 1.00 0.00 O ATOM 0 H GLU A 21 -0.344 -6.965 4.368 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.946 -5.328 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.173 -7.847 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.778 -7.939 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.486 -6.093 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.075 -6.772 1.396 1.00 0.00 H new ATOM 342 N VAL A 22 -2.867 -4.078 4.359 1.00 0.00 N ATOM 343 CA VAL A 22 -3.499 -3.281 5.392 1.00 0.00 C ATOM 344 C VAL A 22 -4.696 -2.532 4.814 1.00 0.00 C ATOM 345 O VAL A 22 -4.660 -2.094 3.664 1.00 0.00 O ATOM 346 CB VAL A 22 -2.502 -2.283 6.001 1.00 0.00 C ATOM 347 CG1 VAL A 22 -2.036 -1.263 4.972 1.00 0.00 C ATOM 348 CG2 VAL A 22 -3.112 -1.593 7.210 1.00 0.00 C ATOM 0 H VAL A 22 -2.693 -3.569 3.492 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.840 -3.951 6.181 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.625 -2.842 6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.332 -0.573 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.547 -1.778 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.895 -0.707 4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.392 -0.890 7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.011 -1.056 6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.371 -2.338 7.962 1.00 0.00 H new ATOM 358 N LYS A 23 -5.760 -2.401 5.595 1.00 0.00 N ATOM 359 CA LYS A 23 -6.957 -1.719 5.115 1.00 0.00 C ATOM 360 C LYS A 23 -7.576 -0.821 6.170 1.00 0.00 C ATOM 361 O LYS A 23 -7.279 -0.926 7.359 1.00 0.00 O ATOM 362 CB LYS A 23 -8.009 -2.737 4.677 1.00 0.00 C ATOM 363 CG LYS A 23 -7.452 -3.875 3.838 1.00 0.00 C ATOM 364 CD LYS A 23 -7.308 -5.152 4.652 1.00 0.00 C ATOM 365 CE LYS A 23 -8.427 -6.136 4.350 1.00 0.00 C ATOM 366 NZ LYS A 23 -9.617 -5.906 5.213 1.00 0.00 N ATOM 0 H LYS A 23 -5.821 -2.752 6.551 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.642 -1.101 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.489 -3.153 5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.783 -2.223 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.110 -4.057 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.481 -3.589 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.346 -5.616 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.313 -4.910 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.716 -6.047 3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.064 -7.154 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.271 -6.710 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.315 -5.814 6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.098 -5.033 4.915 1.00 0.00 H new ATOM 380 N ASP A 24 -8.482 0.030 5.710 1.00 0.00 N ATOM 381 CA ASP A 24 -9.211 0.927 6.583 1.00 0.00 C ATOM 382 C ASP A 24 -10.695 0.790 6.281 1.00 0.00 C ATOM 383 O ASP A 24 -11.174 1.232 5.235 1.00 0.00 O ATOM 384 CB ASP A 24 -8.756 2.373 6.378 1.00 0.00 C ATOM 385 CG ASP A 24 -9.040 3.245 7.586 1.00 0.00 C ATOM 386 OD1 ASP A 24 -10.211 3.302 8.017 1.00 0.00 O ATOM 387 OD2 ASP A 24 -8.089 3.870 8.102 1.00 0.00 O ATOM 0 H ASP A 24 -8.729 0.115 4.724 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.016 0.665 7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.687 2.388 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.260 2.790 5.506 1.00 0.00 H new ATOM 392 N LEU A 25 -11.411 0.150 7.191 1.00 0.00 N ATOM 393 CA LEU A 25 -12.838 -0.080 7.023 1.00 0.00 C ATOM 394 C LEU A 25 -13.650 0.873 7.894 1.00 0.00 C ATOM 395 O LEU A 25 -14.278 0.464 8.870 1.00 0.00 O ATOM 396 CB LEU A 25 -13.167 -1.535 7.360 1.00 0.00 C ATOM 397 CG LEU A 25 -12.437 -2.569 6.495 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.724 -2.326 5.021 1.00 0.00 C ATOM 399 CD2 LEU A 25 -10.939 -2.529 6.758 1.00 0.00 C ATOM 0 H LEU A 25 -11.025 -0.222 8.059 1.00 0.00 H new ATOM 0 HA LEU A 25 -13.105 0.113 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.921 -1.717 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.241 -1.685 7.254 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.805 -3.560 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.198 -3.069 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.796 -2.407 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.384 -1.328 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.440 -3.271 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.554 -1.537 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.748 -2.751 7.808 1.00 0.00 H new ATOM 411 N SER A 26 -13.613 2.150 7.533 1.00 0.00 N ATOM 412 CA SER A 26 -14.324 3.188 8.275 1.00 0.00 C ATOM 413 C SER A 26 -15.834 3.141 8.035 1.00 0.00 C ATOM 414 O SER A 26 -16.593 2.705 8.900 1.00 0.00 O ATOM 415 CB SER A 26 -13.785 4.567 7.891 1.00 0.00 C ATOM 416 OG SER A 26 -13.943 4.809 6.504 1.00 0.00 O ATOM 0 H SER A 26 -13.095 2.495 6.725 1.00 0.00 H new ATOM 0 HA SER A 26 -14.153 3.003 9.335 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.308 5.336 8.459 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.730 4.636 8.157 1.00 0.00 H new ATOM 0 HG SER A 26 -13.592 5.697 6.285 1.00 0.00 H new ATOM 422 N GLN A 27 -16.268 3.617 6.869 1.00 0.00 N ATOM 423 CA GLN A 27 -17.694 3.648 6.537 1.00 0.00 C ATOM 424 C GLN A 27 -18.189 2.300 6.015 1.00 0.00 C ATOM 425 O GLN A 27 -19.394 2.052 5.959 1.00 0.00 O ATOM 426 CB GLN A 27 -17.967 4.738 5.499 1.00 0.00 C ATOM 427 CG GLN A 27 -17.867 6.148 6.057 1.00 0.00 C ATOM 428 CD GLN A 27 -18.573 7.171 5.187 1.00 0.00 C ATOM 429 OE1 GLN A 27 -19.652 6.911 4.654 1.00 0.00 O ATOM 430 NE2 GLN A 27 -17.964 8.341 5.040 1.00 0.00 N ATOM 0 H GLN A 27 -15.657 3.985 6.140 1.00 0.00 H new ATOM 0 HA GLN A 27 -18.239 3.869 7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.259 4.631 4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.964 4.591 5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -18.297 6.170 7.059 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.817 6.423 6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.070 8.512 5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.390 9.069 4.466 1.00 0.00 H new ATOM 439 N PHE A 28 -17.258 1.441 5.631 1.00 0.00 N ATOM 440 CA PHE A 28 -17.597 0.121 5.108 1.00 0.00 C ATOM 441 C PHE A 28 -18.221 -0.753 6.195 1.00 0.00 C ATOM 442 O PHE A 28 -17.565 -1.106 7.176 1.00 0.00 O ATOM 443 CB PHE A 28 -16.346 -0.542 4.528 1.00 0.00 C ATOM 444 CG PHE A 28 -15.489 0.421 3.758 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.551 1.202 4.411 1.00 0.00 C ATOM 446 CD2 PHE A 28 -15.634 0.561 2.389 1.00 0.00 C ATOM 447 CE1 PHE A 28 -13.776 2.106 3.718 1.00 0.00 C ATOM 448 CE2 PHE A 28 -14.857 1.462 1.687 1.00 0.00 C ATOM 449 CZ PHE A 28 -13.928 2.236 2.355 1.00 0.00 C ATOM 0 H PHE A 28 -16.257 1.633 5.671 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.335 0.237 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.760 -0.977 5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.643 -1.362 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.425 1.101 5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.362 -0.040 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.051 2.711 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.976 1.561 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.321 2.943 1.809 1.00 0.00 H new ATOM 459 N GLY A 29 -19.499 -1.089 6.017 1.00 0.00 N ATOM 460 CA GLY A 29 -20.205 -1.907 6.990 1.00 0.00 C ATOM 461 C GLY A 29 -19.473 -3.191 7.333 1.00 0.00 C ATOM 462 O GLY A 29 -18.369 -3.431 6.849 1.00 0.00 O ATOM 0 H GLY A 29 -20.059 -0.807 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.356 -1.328 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.193 -2.152 6.601 1.00 0.00 H new ATOM 466 N PHE A 30 -20.089 -4.016 8.175 1.00 0.00 N ATOM 467 CA PHE A 30 -19.483 -5.284 8.584 1.00 0.00 C ATOM 468 C PHE A 30 -19.341 -6.223 7.391 1.00 0.00 C ATOM 469 O PHE A 30 -18.304 -6.859 7.207 1.00 0.00 O ATOM 470 CB PHE A 30 -20.313 -5.969 9.677 1.00 0.00 C ATOM 471 CG PHE A 30 -21.097 -5.025 10.544 1.00 0.00 C ATOM 472 CD1 PHE A 30 -20.499 -4.388 11.619 1.00 0.00 C ATOM 473 CD2 PHE A 30 -22.436 -4.778 10.283 1.00 0.00 C ATOM 474 CE1 PHE A 30 -21.222 -3.522 12.417 1.00 0.00 C ATOM 475 CE2 PHE A 30 -23.163 -3.914 11.077 1.00 0.00 C ATOM 476 CZ PHE A 30 -22.556 -3.285 12.145 1.00 0.00 C ATOM 0 H PHE A 30 -21.004 -3.832 8.587 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.494 -5.059 8.984 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -21.003 -6.669 9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.646 -6.555 10.309 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -19.457 -4.570 11.836 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -22.916 -5.267 9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -20.745 -3.031 13.252 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -24.205 -3.730 10.863 1.00 0.00 H new ATOM 0 HZ PHE A 30 -23.123 -2.608 12.767 1.00 0.00 H new ATOM 486 N PHE A 31 -20.393 -6.305 6.586 1.00 0.00 N ATOM 487 CA PHE A 31 -20.392 -7.167 5.411 1.00 0.00 C ATOM 488 C PHE A 31 -19.719 -6.469 4.233 1.00 0.00 C ATOM 489 O PHE A 31 -19.132 -7.119 3.367 1.00 0.00 O ATOM 490 CB PHE A 31 -21.824 -7.559 5.040 1.00 0.00 C ATOM 491 CG PHE A 31 -22.669 -7.936 6.225 1.00 0.00 C ATOM 492 CD1 PHE A 31 -22.711 -9.246 6.673 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.420 -6.980 6.890 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.486 -9.597 7.762 1.00 0.00 C ATOM 495 CE2 PHE A 31 -24.198 -7.324 7.979 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.230 -8.634 8.416 1.00 0.00 C ATOM 0 H PHE A 31 -21.259 -5.784 6.726 1.00 0.00 H new ATOM 0 HA PHE A 31 -19.828 -8.069 5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.296 -6.727 4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -21.794 -8.397 4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -22.131 -10.002 6.165 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.397 -5.954 6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.510 -10.622 8.101 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -24.780 -6.570 8.488 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.836 -8.905 9.268 1.00 0.00 H new ATOM 506 N GLU A 32 -19.807 -5.144 4.209 1.00 0.00 N ATOM 507 CA GLU A 32 -19.205 -4.356 3.141 1.00 0.00 C ATOM 508 C GLU A 32 -17.699 -4.231 3.343 1.00 0.00 C ATOM 509 O GLU A 32 -16.923 -4.347 2.394 1.00 0.00 O ATOM 510 CB GLU A 32 -19.845 -2.967 3.082 1.00 0.00 C ATOM 511 CG GLU A 32 -20.782 -2.777 1.901 1.00 0.00 C ATOM 512 CD GLU A 32 -22.052 -3.596 2.028 1.00 0.00 C ATOM 513 OE1 GLU A 32 -21.950 -4.829 2.197 1.00 0.00 O ATOM 514 OE2 GLU A 32 -23.150 -3.004 1.958 1.00 0.00 O ATOM 0 H GLU A 32 -20.290 -4.593 4.918 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.384 -4.869 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.398 -2.792 4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.057 -2.215 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -21.041 -1.722 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.265 -3.055 0.983 1.00 0.00 H new ATOM 521 N ARG A 33 -17.290 -3.994 4.587 1.00 0.00 N ATOM 522 CA ARG A 33 -15.875 -3.851 4.917 1.00 0.00 C ATOM 523 C ARG A 33 -15.070 -5.037 4.397 1.00 0.00 C ATOM 524 O ARG A 33 -13.902 -4.896 4.032 1.00 0.00 O ATOM 525 CB ARG A 33 -15.692 -3.720 6.431 1.00 0.00 C ATOM 526 CG ARG A 33 -16.120 -4.955 7.208 1.00 0.00 C ATOM 527 CD ARG A 33 -14.933 -5.647 7.862 1.00 0.00 C ATOM 528 NE ARG A 33 -14.888 -5.411 9.303 1.00 0.00 N ATOM 529 CZ ARG A 33 -13.794 -5.568 10.048 1.00 0.00 C ATOM 530 NH1 ARG A 33 -12.653 -5.957 9.490 1.00 0.00 N ATOM 531 NH2 ARG A 33 -13.841 -5.335 11.352 1.00 0.00 N ATOM 0 H ARG A 33 -17.919 -3.897 5.384 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.507 -2.946 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.643 -3.513 6.645 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.265 -2.863 6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.843 -4.671 7.973 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -16.623 -5.651 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.988 -6.719 7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.009 -5.290 7.407 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.745 -5.108 9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.611 -6.137 8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.819 -6.076 10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.714 -5.036 11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.004 -5.455 11.922 1.00 0.00 H new ATOM 545 N SER A 34 -15.703 -6.204 4.361 1.00 0.00 N ATOM 546 CA SER A 34 -15.048 -7.413 3.881 1.00 0.00 C ATOM 547 C SER A 34 -14.925 -7.387 2.362 1.00 0.00 C ATOM 548 O SER A 34 -13.836 -7.557 1.810 1.00 0.00 O ATOM 549 CB SER A 34 -15.830 -8.651 4.323 1.00 0.00 C ATOM 550 OG SER A 34 -15.005 -9.803 4.326 1.00 0.00 O ATOM 0 H SER A 34 -16.669 -6.338 4.659 1.00 0.00 H new ATOM 0 HA SER A 34 -14.047 -7.456 4.311 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.238 -8.490 5.321 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.676 -8.808 3.654 1.00 0.00 H new ATOM 0 HG SER A 34 -15.529 -10.580 4.614 1.00 0.00 H new ATOM 556 N SER A 35 -16.051 -7.167 1.690 1.00 0.00 N ATOM 557 CA SER A 35 -16.074 -7.111 0.233 1.00 0.00 C ATOM 558 C SER A 35 -15.107 -6.051 -0.283 1.00 0.00 C ATOM 559 O SER A 35 -14.316 -6.309 -1.192 1.00 0.00 O ATOM 560 CB SER A 35 -17.488 -6.815 -0.266 1.00 0.00 C ATOM 561 OG SER A 35 -18.228 -6.084 0.696 1.00 0.00 O ATOM 0 H SER A 35 -16.959 -7.025 2.132 1.00 0.00 H new ATOM 0 HA SER A 35 -15.760 -8.082 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.437 -6.249 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.001 -7.750 -0.489 1.00 0.00 H new ATOM 0 HG SER A 35 -17.652 -5.406 1.106 1.00 0.00 H new ATOM 567 N VAL A 36 -15.169 -4.860 0.305 1.00 0.00 N ATOM 568 CA VAL A 36 -14.288 -3.775 -0.105 1.00 0.00 C ATOM 569 C VAL A 36 -12.834 -4.144 0.144 1.00 0.00 C ATOM 570 O VAL A 36 -11.971 -3.881 -0.690 1.00 0.00 O ATOM 571 CB VAL A 36 -14.593 -2.451 0.623 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.006 -1.285 -0.155 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.091 -2.263 0.827 1.00 0.00 C ATOM 0 H VAL A 36 -15.814 -4.624 1.059 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.466 -3.626 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.130 -2.488 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.226 -0.353 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.926 -1.409 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.445 -1.256 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.272 -1.320 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.591 -2.249 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.483 -3.085 1.426 1.00 0.00 H new ATOM 583 N GLY A 37 -12.569 -4.767 1.290 1.00 0.00 N ATOM 584 CA GLY A 37 -11.213 -5.173 1.610 1.00 0.00 C ATOM 585 C GLY A 37 -10.586 -5.957 0.477 1.00 0.00 C ATOM 586 O GLY A 37 -9.463 -5.674 0.061 1.00 0.00 O ATOM 0 H GLY A 37 -13.266 -4.996 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.608 -4.291 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.218 -5.781 2.515 1.00 0.00 H new ATOM 590 N GLN A 38 -11.329 -6.930 -0.039 1.00 0.00 N ATOM 591 CA GLN A 38 -10.853 -7.739 -1.150 1.00 0.00 C ATOM 592 C GLN A 38 -10.690 -6.863 -2.386 1.00 0.00 C ATOM 593 O GLN A 38 -9.790 -7.074 -3.200 1.00 0.00 O ATOM 594 CB GLN A 38 -11.829 -8.883 -1.436 1.00 0.00 C ATOM 595 CG GLN A 38 -11.422 -9.753 -2.614 1.00 0.00 C ATOM 596 CD GLN A 38 -10.222 -10.625 -2.307 1.00 0.00 C ATOM 597 OE1 GLN A 38 -10.237 -11.412 -1.359 1.00 0.00 O ATOM 598 NE2 GLN A 38 -9.171 -10.492 -3.109 1.00 0.00 N ATOM 0 H GLN A 38 -12.261 -7.176 0.295 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.888 -8.171 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.914 -9.507 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.818 -8.466 -1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.262 -10.385 -2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.195 -9.117 -3.469 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.201 -9.828 -3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.334 -11.054 -2.951 1.00 0.00 H new ATOM 607 N PHE A 39 -11.565 -5.868 -2.508 1.00 0.00 N ATOM 608 CA PHE A 39 -11.523 -4.938 -3.630 1.00 0.00 C ATOM 609 C PHE A 39 -10.291 -4.046 -3.534 1.00 0.00 C ATOM 610 O PHE A 39 -9.676 -3.696 -4.544 1.00 0.00 O ATOM 611 CB PHE A 39 -12.788 -4.080 -3.652 1.00 0.00 C ATOM 612 CG PHE A 39 -13.098 -3.500 -5.002 1.00 0.00 C ATOM 613 CD1 PHE A 39 -13.267 -4.325 -6.103 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.220 -2.130 -5.173 1.00 0.00 C ATOM 615 CE1 PHE A 39 -13.552 -3.796 -7.347 1.00 0.00 C ATOM 616 CE2 PHE A 39 -13.505 -1.594 -6.414 1.00 0.00 C ATOM 617 CZ PHE A 39 -13.671 -2.429 -7.503 1.00 0.00 C ATOM 0 H PHE A 39 -12.314 -5.686 -1.840 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.469 -5.513 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.633 -4.685 -3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.679 -3.268 -2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -13.175 -5.395 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.091 -1.473 -4.325 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.682 -4.451 -8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.598 -0.525 -6.533 1.00 0.00 H new ATOM 0 HZ PHE A 39 -13.893 -2.013 -8.474 1.00 0.00 H new ATOM 627 N MET A 40 -9.936 -3.687 -2.306 1.00 0.00 N ATOM 628 CA MET A 40 -8.782 -2.839 -2.053 1.00 0.00 C ATOM 629 C MET A 40 -7.497 -3.515 -2.515 1.00 0.00 C ATOM 630 O MET A 40 -6.777 -2.990 -3.366 1.00 0.00 O ATOM 631 CB MET A 40 -8.689 -2.513 -0.565 1.00 0.00 C ATOM 632 CG MET A 40 -9.504 -1.297 -0.153 1.00 0.00 C ATOM 633 SD MET A 40 -9.842 -1.256 1.618 1.00 0.00 S ATOM 634 CE MET A 40 -11.613 -0.990 1.620 1.00 0.00 C ATOM 0 H MET A 40 -10.437 -3.974 -1.465 1.00 0.00 H new ATOM 0 HA MET A 40 -8.908 -1.916 -2.618 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.026 -3.376 0.009 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.644 -2.345 -0.304 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.968 -0.392 -0.438 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.447 -1.294 -0.699 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.908 -0.512 2.554 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.886 -0.349 0.782 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.125 -1.948 1.525 1.00 0.00 H new ATOM 644 N THR A 41 -7.217 -4.684 -1.949 1.00 0.00 N ATOM 645 CA THR A 41 -6.018 -5.434 -2.303 1.00 0.00 C ATOM 646 C THR A 41 -6.005 -5.756 -3.792 1.00 0.00 C ATOM 647 O THR A 41 -5.025 -5.490 -4.475 1.00 0.00 O ATOM 648 CB THR A 41 -5.936 -6.724 -1.487 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.349 -6.499 -0.151 1.00 0.00 O ATOM 650 CG2 THR A 41 -4.544 -7.316 -1.444 1.00 0.00 C ATOM 0 H THR A 41 -7.803 -5.132 -1.244 1.00 0.00 H new ATOM 0 HA THR A 41 -5.150 -4.816 -2.074 1.00 0.00 H new ATOM 0 HB THR A 41 -6.598 -7.428 -1.991 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.102 -5.590 0.119 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.555 -8.229 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.215 -7.547 -2.457 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.857 -6.599 -0.994 1.00 0.00 H new ATOM 658 N PHE A 42 -7.102 -6.323 -4.291 1.00 0.00 N ATOM 659 CA PHE A 42 -7.215 -6.670 -5.707 1.00 0.00 C ATOM 660 C PHE A 42 -6.717 -5.523 -6.584 1.00 0.00 C ATOM 661 O PHE A 42 -5.992 -5.734 -7.559 1.00 0.00 O ATOM 662 CB PHE A 42 -8.667 -7.000 -6.058 1.00 0.00 C ATOM 663 CG PHE A 42 -8.826 -7.658 -7.399 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.657 -6.931 -8.567 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.146 -9.004 -7.493 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.803 -7.533 -9.802 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.293 -9.611 -8.726 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.121 -8.875 -9.881 1.00 0.00 C ATOM 0 H PHE A 42 -7.926 -6.552 -3.735 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.595 -7.547 -5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.078 -7.655 -5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.254 -6.082 -6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.408 -5.882 -8.511 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.282 -9.585 -6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.669 -6.955 -10.704 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.542 -10.660 -8.786 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.235 -9.348 -10.845 1.00 0.00 H new ATOM 678 N PHE A 43 -7.103 -4.307 -6.219 1.00 0.00 N ATOM 679 CA PHE A 43 -6.691 -3.119 -6.957 1.00 0.00 C ATOM 680 C PHE A 43 -5.222 -2.802 -6.685 1.00 0.00 C ATOM 681 O PHE A 43 -4.520 -2.275 -7.548 1.00 0.00 O ATOM 682 CB PHE A 43 -7.571 -1.928 -6.562 1.00 0.00 C ATOM 683 CG PHE A 43 -7.762 -0.914 -7.656 1.00 0.00 C ATOM 684 CD1 PHE A 43 -7.921 -1.311 -8.976 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.785 0.440 -7.362 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.098 -0.378 -9.978 1.00 0.00 C ATOM 687 CE2 PHE A 43 -7.963 1.378 -8.363 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.119 0.968 -9.672 1.00 0.00 C ATOM 0 H PHE A 43 -7.702 -4.117 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.810 -3.311 -8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.548 -2.299 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.128 -1.434 -5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.906 -2.362 -9.222 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.663 0.767 -6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.220 -0.701 -11.001 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.980 2.430 -8.121 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.257 1.699 -10.455 1.00 0.00 H new ATOM 698 N ALA A 44 -4.768 -3.135 -5.479 1.00 0.00 N ATOM 699 CA ALA A 44 -3.384 -2.895 -5.079 1.00 0.00 C ATOM 700 C ALA A 44 -2.434 -3.895 -5.734 1.00 0.00 C ATOM 701 O ALA A 44 -1.299 -3.560 -6.084 1.00 0.00 O ATOM 702 CB ALA A 44 -3.264 -2.962 -3.566 1.00 0.00 C ATOM 0 H ALA A 44 -5.342 -3.574 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.100 -1.899 -5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.229 -2.782 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.905 -2.203 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.572 -3.949 -3.220 1.00 0.00 H new ATOM 708 N GLU A 45 -2.910 -5.121 -5.912 1.00 0.00 N ATOM 709 CA GLU A 45 -2.114 -6.163 -6.538 1.00 0.00 C ATOM 710 C GLU A 45 -1.971 -5.865 -8.022 1.00 0.00 C ATOM 711 O GLU A 45 -0.908 -6.061 -8.609 1.00 0.00 O ATOM 712 CB GLU A 45 -2.763 -7.531 -6.326 1.00 0.00 C ATOM 713 CG GLU A 45 -4.202 -7.594 -6.796 1.00 0.00 C ATOM 714 CD GLU A 45 -4.755 -9.006 -6.800 1.00 0.00 C ATOM 715 OE1 GLU A 45 -5.133 -9.498 -5.716 1.00 0.00 O ATOM 716 OE2 GLU A 45 -4.809 -9.619 -7.886 1.00 0.00 O ATOM 0 H GLU A 45 -3.845 -5.416 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.125 -6.184 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.182 -8.286 -6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.723 -7.783 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.819 -6.969 -6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.270 -7.179 -7.801 1.00 0.00 H new ATOM 723 N THR A 46 -3.048 -5.363 -8.620 1.00 0.00 N ATOM 724 CA THR A 46 -3.034 -5.009 -10.030 1.00 0.00 C ATOM 725 C THR A 46 -1.995 -3.921 -10.273 1.00 0.00 C ATOM 726 O THR A 46 -1.172 -4.028 -11.180 1.00 0.00 O ATOM 727 CB THR A 46 -4.427 -4.544 -10.477 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.154 -5.620 -11.045 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.407 -3.421 -11.496 1.00 0.00 C ATOM 0 H THR A 46 -3.937 -5.194 -8.149 1.00 0.00 H new ATOM 0 HA THR A 46 -2.767 -5.886 -10.619 1.00 0.00 H new ATOM 0 HB THR A 46 -4.901 -4.170 -9.569 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.040 -5.306 -11.323 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.430 -3.151 -11.760 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.900 -2.554 -11.072 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.877 -3.750 -12.390 1.00 0.00 H new ATOM 737 N VAL A 47 -2.034 -2.876 -9.450 1.00 0.00 N ATOM 738 CA VAL A 47 -1.078 -1.777 -9.585 1.00 0.00 C ATOM 739 C VAL A 47 0.343 -2.303 -9.613 1.00 0.00 C ATOM 740 O VAL A 47 1.047 -2.146 -10.603 1.00 0.00 O ATOM 741 CB VAL A 47 -1.166 -0.721 -8.459 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.801 0.551 -8.963 1.00 0.00 C ATOM 743 CG2 VAL A 47 -1.903 -1.226 -7.234 1.00 0.00 C ATOM 0 H VAL A 47 -2.707 -2.766 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.344 -1.291 -10.524 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.141 -0.513 -8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.852 1.278 -8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.203 0.958 -9.779 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.808 0.338 -9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.933 -0.441 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.921 -1.503 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.386 -2.098 -6.832 1.00 0.00 H new ATOM 753 N ALA A 48 0.762 -2.940 -8.528 1.00 0.00 N ATOM 754 CA ALA A 48 2.105 -3.492 -8.467 1.00 0.00 C ATOM 755 C ALA A 48 2.361 -4.367 -9.692 1.00 0.00 C ATOM 756 O ALA A 48 3.489 -4.479 -10.168 1.00 0.00 O ATOM 757 CB ALA A 48 2.315 -4.255 -7.171 1.00 0.00 C ATOM 0 H ALA A 48 0.199 -3.085 -7.690 1.00 0.00 H new ATOM 0 HA ALA A 48 2.829 -2.677 -8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.327 -4.659 -7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.173 -3.582 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.596 -5.072 -7.109 1.00 0.00 H new ATOM 763 N SER A 49 1.286 -4.964 -10.212 1.00 0.00 N ATOM 764 CA SER A 49 1.372 -5.803 -11.397 1.00 0.00 C ATOM 765 C SER A 49 1.565 -4.936 -12.644 1.00 0.00 C ATOM 766 O SER A 49 2.359 -5.268 -13.524 1.00 0.00 O ATOM 767 CB SER A 49 0.112 -6.663 -11.536 1.00 0.00 C ATOM 768 OG SER A 49 -0.196 -6.916 -12.897 1.00 0.00 O ATOM 0 H SER A 49 0.346 -4.878 -9.826 1.00 0.00 H new ATOM 0 HA SER A 49 2.232 -6.465 -11.294 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.256 -7.608 -11.012 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.729 -6.159 -11.059 1.00 0.00 H new ATOM 0 HG SER A 49 -1.004 -7.468 -12.952 1.00 0.00 H new ATOM 774 N ARG A 50 0.841 -3.817 -12.704 1.00 0.00 N ATOM 775 CA ARG A 50 0.945 -2.898 -13.835 1.00 0.00 C ATOM 776 C ARG A 50 2.200 -2.056 -13.718 1.00 0.00 C ATOM 777 O ARG A 50 2.824 -1.707 -14.720 1.00 0.00 O ATOM 778 CB ARG A 50 -0.277 -1.989 -13.922 1.00 0.00 C ATOM 779 CG ARG A 50 -0.542 -1.241 -12.634 1.00 0.00 C ATOM 780 CD ARG A 50 -1.518 -0.083 -12.804 1.00 0.00 C ATOM 781 NE ARG A 50 -1.590 0.398 -14.184 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.325 -0.178 -15.134 1.00 0.00 C ATOM 783 NH1 ARG A 50 -3.045 -1.258 -14.861 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.336 0.327 -16.360 1.00 0.00 N ATOM 0 H ARG A 50 0.179 -3.527 -11.984 1.00 0.00 H new ATOM 0 HA ARG A 50 0.996 -3.496 -14.745 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.135 -1.272 -14.731 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.152 -2.587 -14.177 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.937 -1.935 -11.893 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.401 -0.859 -12.242 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.510 -0.399 -12.482 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.218 0.738 -12.153 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.045 1.223 -14.433 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.038 -1.651 -13.920 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.606 -1.695 -15.592 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.782 1.156 -16.575 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.899 -0.113 -17.088 1.00 0.00 H new ATOM 798 N THR A 51 2.575 -1.743 -12.486 1.00 0.00 N ATOM 799 CA THR A 51 3.760 -0.957 -12.239 1.00 0.00 C ATOM 800 C THR A 51 4.985 -1.790 -12.599 1.00 0.00 C ATOM 801 O THR A 51 5.332 -2.742 -11.900 1.00 0.00 O ATOM 802 CB THR A 51 3.788 -0.513 -10.775 1.00 0.00 C ATOM 803 OG1 THR A 51 2.737 0.402 -10.529 1.00 0.00 O ATOM 804 CG2 THR A 51 5.080 0.156 -10.363 1.00 0.00 C ATOM 0 H THR A 51 2.071 -2.025 -11.646 1.00 0.00 H new ATOM 0 HA THR A 51 3.759 -0.058 -12.856 1.00 0.00 H new ATOM 0 HB THR A 51 3.681 -1.427 -10.191 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.112 1.286 -10.334 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.023 0.442 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.910 -0.536 -10.506 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.240 1.045 -10.973 1.00 0.00 H new ATOM 812 N GLY A 52 5.614 -1.444 -13.717 1.00 0.00 N ATOM 813 CA GLY A 52 6.775 -2.187 -14.186 1.00 0.00 C ATOM 814 C GLY A 52 8.063 -1.851 -13.458 1.00 0.00 C ATOM 815 O GLY A 52 9.129 -1.818 -14.071 1.00 0.00 O ATOM 0 H GLY A 52 5.341 -0.660 -14.310 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.578 -3.254 -14.079 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.911 -1.993 -15.250 1.00 0.00 H new ATOM 819 N ALA A 53 7.977 -1.620 -12.153 1.00 0.00 N ATOM 820 CA ALA A 53 9.160 -1.305 -11.357 1.00 0.00 C ATOM 821 C ALA A 53 9.860 -0.046 -11.859 1.00 0.00 C ATOM 822 O ALA A 53 9.937 0.200 -13.061 1.00 0.00 O ATOM 823 CB ALA A 53 10.124 -2.481 -11.365 1.00 0.00 C ATOM 0 H ALA A 53 7.105 -1.644 -11.624 1.00 0.00 H new ATOM 0 HA ALA A 53 8.832 -1.115 -10.335 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.003 -2.235 -10.768 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.632 -3.357 -10.943 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.429 -2.694 -12.389 1.00 0.00 H new ATOM 829 N GLY A 54 10.370 0.749 -10.925 1.00 0.00 N ATOM 830 CA GLY A 54 11.057 1.971 -11.289 1.00 0.00 C ATOM 831 C GLY A 54 10.098 3.073 -11.687 1.00 0.00 C ATOM 832 O GLY A 54 10.521 4.146 -12.115 1.00 0.00 O ATOM 0 H GLY A 54 10.319 0.568 -9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.665 2.307 -10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.739 1.770 -12.115 1.00 0.00 H new ATOM 836 N GLU A 55 8.801 2.810 -11.549 1.00 0.00 N ATOM 837 CA GLU A 55 7.791 3.793 -11.901 1.00 0.00 C ATOM 838 C GLU A 55 6.661 3.816 -10.876 1.00 0.00 C ATOM 839 O GLU A 55 6.288 2.782 -10.322 1.00 0.00 O ATOM 840 CB GLU A 55 7.225 3.501 -13.292 1.00 0.00 C ATOM 841 CG GLU A 55 8.286 3.125 -14.314 1.00 0.00 C ATOM 842 CD GLU A 55 9.053 4.326 -14.830 1.00 0.00 C ATOM 843 OE1 GLU A 55 8.412 5.246 -15.383 1.00 0.00 O ATOM 844 OE2 GLU A 55 10.292 4.348 -14.682 1.00 0.00 O ATOM 0 H GLU A 55 8.430 1.927 -11.197 1.00 0.00 H new ATOM 0 HA GLU A 55 8.268 4.773 -11.907 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.501 2.690 -13.217 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.685 4.379 -13.647 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.984 2.419 -13.864 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.812 2.614 -15.152 1.00 0.00 H new ATOM 851 N ARG A 56 6.119 5.005 -10.633 1.00 0.00 N ATOM 852 CA ARG A 56 5.028 5.171 -9.680 1.00 0.00 C ATOM 853 C ARG A 56 3.682 5.117 -10.396 1.00 0.00 C ATOM 854 O ARG A 56 3.574 5.508 -11.558 1.00 0.00 O ATOM 855 CB ARG A 56 5.173 6.500 -8.937 1.00 0.00 C ATOM 856 CG ARG A 56 6.570 6.736 -8.388 1.00 0.00 C ATOM 857 CD ARG A 56 6.860 8.219 -8.218 1.00 0.00 C ATOM 858 NE ARG A 56 7.328 8.830 -9.459 1.00 0.00 N ATOM 859 CZ ARG A 56 7.365 10.144 -9.670 1.00 0.00 C ATOM 860 NH1 ARG A 56 6.965 10.987 -8.725 1.00 0.00 N ATOM 861 NH2 ARG A 56 7.806 10.617 -10.827 1.00 0.00 N ATOM 0 H ARG A 56 6.419 5.869 -11.084 1.00 0.00 H new ATOM 0 HA ARG A 56 5.072 4.356 -8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.914 7.315 -9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.458 6.528 -8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.674 6.232 -7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.306 6.295 -9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.957 8.729 -7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.612 8.355 -7.441 1.00 0.00 H new ATOM 0 HE ARG A 56 7.645 8.214 -10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.627 10.629 -7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.996 11.993 -8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.117 9.974 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.834 11.624 -10.989 1.00 0.00 H new ATOM 875 N GLN A 57 2.658 4.628 -9.703 1.00 0.00 N ATOM 876 CA GLN A 57 1.328 4.527 -10.295 1.00 0.00 C ATOM 877 C GLN A 57 0.256 5.092 -9.375 1.00 0.00 C ATOM 878 O GLN A 57 0.178 4.747 -8.198 1.00 0.00 O ATOM 879 CB GLN A 57 0.981 3.068 -10.627 1.00 0.00 C ATOM 880 CG GLN A 57 1.361 2.658 -12.042 1.00 0.00 C ATOM 881 CD GLN A 57 2.860 2.534 -12.236 1.00 0.00 C ATOM 882 OE1 GLN A 57 3.628 2.560 -11.275 1.00 0.00 O ATOM 883 NE2 GLN A 57 3.285 2.397 -13.488 1.00 0.00 N ATOM 0 H GLN A 57 2.722 4.298 -8.740 1.00 0.00 H new ATOM 0 HA GLN A 57 1.350 5.115 -11.212 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.488 2.413 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.090 2.918 -10.489 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.889 1.704 -12.278 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.968 3.392 -12.746 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.613 2.380 -14.256 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.283 2.308 -13.681 1.00 0.00 H new ATOM 892 N SER A 58 -0.597 5.933 -9.934 1.00 0.00 N ATOM 893 CA SER A 58 -1.693 6.504 -9.188 1.00 0.00 C ATOM 894 C SER A 58 -2.989 6.158 -9.907 1.00 0.00 C ATOM 895 O SER A 58 -3.324 6.754 -10.931 1.00 0.00 O ATOM 896 CB SER A 58 -1.536 8.021 -9.060 1.00 0.00 C ATOM 897 OG SER A 58 -2.589 8.581 -8.295 1.00 0.00 O ATOM 0 H SER A 58 -0.547 6.234 -10.907 1.00 0.00 H new ATOM 0 HA SER A 58 -1.704 6.093 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.579 8.252 -8.591 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.523 8.473 -10.052 1.00 0.00 H new ATOM 0 HG SER A 58 -2.313 8.646 -7.357 1.00 0.00 H new ATOM 903 N ILE A 59 -3.695 5.172 -9.379 1.00 0.00 N ATOM 904 CA ILE A 59 -4.942 4.713 -9.985 1.00 0.00 C ATOM 905 C ILE A 59 -6.134 5.498 -9.461 1.00 0.00 C ATOM 906 O ILE A 59 -6.565 5.315 -8.323 1.00 0.00 O ATOM 907 CB ILE A 59 -5.177 3.199 -9.751 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.229 2.660 -8.682 1.00 0.00 C ATOM 909 CG2 ILE A 59 -4.997 2.424 -11.045 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.551 1.259 -8.234 1.00 0.00 C ATOM 0 H ILE A 59 -3.429 4.671 -8.531 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.846 4.885 -11.057 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.202 3.068 -9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.210 2.683 -9.069 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.257 3.323 -7.817 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.166 1.363 -10.860 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.712 2.782 -11.786 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.984 2.570 -11.419 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.835 0.946 -7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.557 1.233 -7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.495 0.582 -9.087 1.00 0.00 H new ATOM 922 N GLU A 60 -6.662 6.372 -10.309 1.00 0.00 N ATOM 923 CA GLU A 60 -7.810 7.194 -9.951 1.00 0.00 C ATOM 924 C GLU A 60 -9.102 6.570 -10.466 1.00 0.00 C ATOM 925 O GLU A 60 -9.360 6.557 -11.670 1.00 0.00 O ATOM 926 CB GLU A 60 -7.648 8.606 -10.517 1.00 0.00 C ATOM 927 CG GLU A 60 -7.451 8.637 -12.025 1.00 0.00 C ATOM 928 CD GLU A 60 -6.121 9.242 -12.428 1.00 0.00 C ATOM 929 OE1 GLU A 60 -5.079 8.780 -11.917 1.00 0.00 O ATOM 930 OE2 GLU A 60 -6.120 10.179 -13.254 1.00 0.00 O ATOM 0 H GLU A 60 -6.311 6.530 -11.254 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.863 7.252 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.529 9.194 -10.262 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.795 9.085 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.518 7.622 -12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.259 9.209 -12.481 1.00 0.00 H new ATOM 937 N GLU A 61 -9.909 6.054 -9.548 1.00 0.00 N ATOM 938 CA GLU A 61 -11.174 5.425 -9.908 1.00 0.00 C ATOM 939 C GLU A 61 -12.349 6.215 -9.347 1.00 0.00 C ATOM 940 O GLU A 61 -12.164 7.153 -8.572 1.00 0.00 O ATOM 941 CB GLU A 61 -11.217 3.985 -9.393 1.00 0.00 C ATOM 942 CG GLU A 61 -10.698 2.965 -10.393 1.00 0.00 C ATOM 943 CD GLU A 61 -11.560 2.879 -11.638 1.00 0.00 C ATOM 944 OE1 GLU A 61 -12.755 3.237 -11.558 1.00 0.00 O ATOM 945 OE2 GLU A 61 -11.042 2.454 -12.691 1.00 0.00 O ATOM 0 H GLU A 61 -9.710 6.058 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.252 5.415 -10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.628 3.917 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.244 3.733 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.679 3.227 -10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.654 1.985 -9.918 1.00 0.00 H new ATOM 952 N GLY A 62 -13.558 5.828 -9.737 1.00 0.00 N ATOM 953 CA GLY A 62 -14.747 6.508 -9.257 1.00 0.00 C ATOM 954 C GLY A 62 -15.051 6.179 -7.810 1.00 0.00 C ATOM 955 O GLY A 62 -16.146 5.721 -7.486 1.00 0.00 O ATOM 0 H GLY A 62 -13.736 5.055 -10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.615 7.585 -9.363 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.598 6.229 -9.878 1.00 0.00 H new ATOM 959 N ASN A 63 -14.075 6.411 -6.941 1.00 0.00 N ATOM 960 CA ASN A 63 -14.230 6.138 -5.520 1.00 0.00 C ATOM 961 C ASN A 63 -13.021 6.643 -4.742 1.00 0.00 C ATOM 962 O ASN A 63 -13.164 7.288 -3.702 1.00 0.00 O ATOM 963 CB ASN A 63 -14.418 4.638 -5.283 1.00 0.00 C ATOM 964 CG ASN A 63 -15.430 4.347 -4.193 1.00 0.00 C ATOM 965 OD1 ASN A 63 -16.250 3.437 -4.317 1.00 0.00 O ATOM 966 ND2 ASN A 63 -15.378 5.121 -3.114 1.00 0.00 N ATOM 0 H ASN A 63 -13.164 6.790 -7.199 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.116 6.664 -5.165 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.741 4.164 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.460 4.193 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.034 4.972 -2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.682 5.864 -3.052 1.00 0.00 H new ATOM 973 N TYR A 64 -11.829 6.352 -5.254 1.00 0.00 N ATOM 974 CA TYR A 64 -10.596 6.785 -4.604 1.00 0.00 C ATOM 975 C TYR A 64 -9.385 6.610 -5.516 1.00 0.00 C ATOM 976 O TYR A 64 -9.507 6.203 -6.672 1.00 0.00 O ATOM 977 CB TYR A 64 -10.376 6.020 -3.292 1.00 0.00 C ATOM 978 CG TYR A 64 -10.970 4.627 -3.271 1.00 0.00 C ATOM 979 CD1 TYR A 64 -12.273 4.414 -2.840 1.00 0.00 C ATOM 980 CD2 TYR A 64 -10.223 3.526 -3.673 1.00 0.00 C ATOM 981 CE1 TYR A 64 -12.817 3.144 -2.811 1.00 0.00 C ATOM 982 CE2 TYR A 64 -10.761 2.252 -3.648 1.00 0.00 C ATOM 983 CZ TYR A 64 -12.057 2.067 -3.217 1.00 0.00 C ATOM 984 OH TYR A 64 -12.595 0.801 -3.190 1.00 0.00 O ATOM 0 H TYR A 64 -11.690 5.820 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.704 7.847 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.305 5.948 -3.103 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.806 6.597 -2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.871 5.255 -2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.207 3.667 -4.010 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -13.832 2.996 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -10.168 1.406 -3.965 1.00 0.00 H new ATOM 0 HH TYR A 64 -11.930 0.156 -3.508 1.00 0.00 H new ATOM 994 N ILE A 65 -8.217 6.931 -4.973 1.00 0.00 N ATOM 995 CA ILE A 65 -6.955 6.831 -5.698 1.00 0.00 C ATOM 996 C ILE A 65 -6.124 5.657 -5.184 1.00 0.00 C ATOM 997 O ILE A 65 -6.314 5.194 -4.060 1.00 0.00 O ATOM 998 CB ILE A 65 -6.128 8.136 -5.541 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.536 9.164 -6.595 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.625 7.866 -5.623 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.606 10.356 -6.652 1.00 0.00 C ATOM 0 H ILE A 65 -8.117 7.269 -4.016 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.193 6.673 -6.750 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.343 8.539 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.561 8.683 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.548 9.510 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.080 8.803 -5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.335 7.179 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.387 7.424 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.950 11.049 -7.420 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.600 10.859 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.597 10.019 -6.892 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.189 5.199 -6.007 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.326 4.108 -5.610 1.00 0.00 C ATOM 1015 C GLY A 66 -2.877 4.369 -5.963 1.00 0.00 C ATOM 1016 O GLY A 66 -2.382 3.902 -6.990 1.00 0.00 O ATOM 0 H GLY A 66 -5.014 5.565 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.414 3.950 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.657 3.190 -6.095 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.198 5.126 -5.112 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.801 5.464 -5.336 1.00 0.00 C ATOM 1022 C HIS A 67 0.072 4.210 -5.406 1.00 0.00 C ATOM 1023 O HIS A 67 -0.306 3.148 -4.913 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.295 6.391 -4.229 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.030 7.694 -4.160 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.108 8.571 -5.221 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -1.725 8.266 -3.149 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -1.817 9.627 -4.865 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.205 9.466 -3.613 1.00 0.00 N ATOM 0 H HIS A 67 -2.594 5.518 -4.258 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.733 5.978 -6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.384 5.881 -3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.765 6.589 -4.388 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.874 7.855 -2.161 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.041 10.478 -5.491 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.769 10.126 -3.078 1.00 0.00 H new ATOM 1038 N VAL A 68 1.240 4.344 -6.034 1.00 0.00 N ATOM 1039 CA VAL A 68 2.170 3.227 -6.185 1.00 0.00 C ATOM 1040 C VAL A 68 3.614 3.727 -6.282 1.00 0.00 C ATOM 1041 O VAL A 68 3.883 4.762 -6.890 1.00 0.00 O ATOM 1042 CB VAL A 68 1.832 2.400 -7.452 1.00 0.00 C ATOM 1043 CG1 VAL A 68 3.072 1.837 -8.121 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.878 1.270 -7.143 1.00 0.00 C ATOM 0 H VAL A 68 1.565 5.218 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 68 2.069 2.594 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 68 1.353 3.095 -8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.782 1.266 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.728 2.655 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.598 1.185 -7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.665 0.714 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.330 0.603 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.050 1.677 -6.741 1.00 0.00 H new ATOM 1054 N TYR A 69 4.537 2.959 -5.710 1.00 0.00 N ATOM 1055 CA TYR A 69 5.958 3.291 -5.757 1.00 0.00 C ATOM 1056 C TYR A 69 6.785 2.018 -5.846 1.00 0.00 C ATOM 1057 O TYR A 69 6.830 1.229 -4.900 1.00 0.00 O ATOM 1058 CB TYR A 69 6.387 4.087 -4.527 1.00 0.00 C ATOM 1059 CG TYR A 69 5.794 5.473 -4.444 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.577 5.692 -3.813 1.00 0.00 C ATOM 1061 CD2 TYR A 69 6.457 6.565 -4.986 1.00 0.00 C ATOM 1062 CE1 TYR A 69 4.037 6.961 -3.726 1.00 0.00 C ATOM 1063 CE2 TYR A 69 5.925 7.836 -4.905 1.00 0.00 C ATOM 1064 CZ TYR A 69 4.715 8.029 -4.273 1.00 0.00 C ATOM 1065 OH TYR A 69 4.185 9.294 -4.184 1.00 0.00 O ATOM 0 H TYR A 69 4.325 2.098 -5.206 1.00 0.00 H new ATOM 0 HA TYR A 69 6.126 3.907 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.106 3.531 -3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.474 4.169 -4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.044 4.857 -3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.406 6.418 -5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.089 7.115 -3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.453 8.674 -5.334 1.00 0.00 H new ATOM 0 HH TYR A 69 3.586 9.344 -3.410 1.00 0.00 H new ATOM 1075 N ALA A 70 7.431 1.814 -6.984 1.00 0.00 N ATOM 1076 CA ALA A 70 8.245 0.624 -7.188 1.00 0.00 C ATOM 1077 C ALA A 70 9.734 0.952 -7.162 1.00 0.00 C ATOM 1078 O ALA A 70 10.160 1.996 -7.656 1.00 0.00 O ATOM 1079 CB ALA A 70 7.871 -0.046 -8.497 1.00 0.00 C ATOM 0 H ALA A 70 7.408 2.454 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 70 8.046 -0.064 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.486 -0.935 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.820 -0.332 -8.472 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.039 0.647 -9.321 1.00 0.00 H new ATOM 1085 N ARG A 71 10.517 0.049 -6.581 1.00 0.00 N ATOM 1086 CA ARG A 71 11.960 0.232 -6.486 1.00 0.00 C ATOM 1087 C ARG A 71 12.675 -0.494 -7.622 1.00 0.00 C ATOM 1088 O ARG A 71 12.079 -1.315 -8.318 1.00 0.00 O ATOM 1089 CB ARG A 71 12.469 -0.283 -5.137 1.00 0.00 C ATOM 1090 CG ARG A 71 13.650 0.500 -4.587 1.00 0.00 C ATOM 1091 CD ARG A 71 13.327 1.980 -4.448 1.00 0.00 C ATOM 1092 NE ARG A 71 14.226 2.813 -5.243 1.00 0.00 N ATOM 1093 CZ ARG A 71 14.121 4.137 -5.337 1.00 0.00 C ATOM 1094 NH1 ARG A 71 13.160 4.780 -4.688 1.00 0.00 N ATOM 1095 NH2 ARG A 71 14.982 4.819 -6.081 1.00 0.00 N ATOM 0 H ARG A 71 10.175 -0.819 -6.168 1.00 0.00 H new ATOM 0 HA ARG A 71 12.175 1.298 -6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.654 -0.248 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.756 -1.329 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.933 0.096 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 71 14.509 0.375 -5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.298 2.157 -4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.397 2.269 -3.399 1.00 0.00 H new ATOM 0 HE ARG A 71 14.978 2.353 -5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.497 4.260 -4.113 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.084 5.794 -4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.724 4.329 -6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.902 5.833 -6.153 1.00 0.00 H new ATOM 1109 N SER A 72 13.954 -0.184 -7.803 1.00 0.00 N ATOM 1110 CA SER A 72 14.749 -0.806 -8.854 1.00 0.00 C ATOM 1111 C SER A 72 15.020 -2.277 -8.545 1.00 0.00 C ATOM 1112 O SER A 72 15.297 -3.067 -9.447 1.00 0.00 O ATOM 1113 CB SER A 72 16.074 -0.061 -9.029 1.00 0.00 C ATOM 1114 OG SER A 72 16.983 -0.383 -7.991 1.00 0.00 O ATOM 0 H SER A 72 14.462 0.494 -7.235 1.00 0.00 H new ATOM 0 HA SER A 72 14.179 -0.749 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.513 -0.316 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.892 1.014 -9.036 1.00 0.00 H new ATOM 0 HG SER A 72 17.822 0.105 -8.128 1.00 0.00 H new ATOM 1120 N GLU A 73 14.941 -2.640 -7.266 1.00 0.00 N ATOM 1121 CA GLU A 73 15.183 -4.017 -6.847 1.00 0.00 C ATOM 1122 C GLU A 73 14.280 -4.996 -7.595 1.00 0.00 C ATOM 1123 O GLU A 73 14.743 -5.755 -8.446 1.00 0.00 O ATOM 1124 CB GLU A 73 14.965 -4.156 -5.342 1.00 0.00 C ATOM 1125 CG GLU A 73 15.880 -3.273 -4.509 1.00 0.00 C ATOM 1126 CD GLU A 73 17.265 -3.867 -4.335 1.00 0.00 C ATOM 1127 OE1 GLU A 73 17.418 -4.779 -3.497 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.194 -3.418 -5.038 1.00 0.00 O ATOM 0 H GLU A 73 14.712 -2.001 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 73 16.218 -4.260 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.928 -3.912 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.119 -5.196 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.965 -2.295 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.431 -3.114 -3.528 1.00 0.00 H new ATOM 1135 N GLY A 74 12.990 -4.977 -7.270 1.00 0.00 N ATOM 1136 CA GLY A 74 12.048 -5.873 -7.920 1.00 0.00 C ATOM 1137 C GLY A 74 10.754 -6.036 -7.140 1.00 0.00 C ATOM 1138 O GLY A 74 9.730 -6.423 -7.703 1.00 0.00 O ATOM 0 H GLY A 74 12.581 -4.359 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.821 -5.493 -8.916 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.514 -6.850 -8.050 1.00 0.00 H new ATOM 1142 N ILE A 75 10.797 -5.734 -5.848 1.00 0.00 N ATOM 1143 CA ILE A 75 9.617 -5.841 -4.992 1.00 0.00 C ATOM 1144 C ILE A 75 9.116 -4.435 -4.661 1.00 0.00 C ATOM 1145 O ILE A 75 9.765 -3.681 -3.937 1.00 0.00 O ATOM 1146 CB ILE A 75 9.930 -6.663 -3.699 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.066 -6.232 -2.502 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.407 -6.570 -3.349 1.00 0.00 C ATOM 1149 CD1 ILE A 75 9.779 -5.331 -1.505 1.00 0.00 C ATOM 0 H ILE A 75 11.637 -5.412 -5.367 1.00 0.00 H new ATOM 0 HA ILE A 75 8.832 -6.381 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 75 9.679 -7.701 -3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.183 -5.713 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.716 -7.124 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.604 -7.149 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.002 -6.967 -4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.675 -5.528 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.098 -5.075 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.646 -5.852 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.105 -4.420 -2.006 1.00 0.00 H new ATOM 1161 N CYS A 76 7.972 -4.079 -5.243 1.00 0.00 N ATOM 1162 CA CYS A 76 7.390 -2.751 -5.060 1.00 0.00 C ATOM 1163 C CYS A 76 6.293 -2.741 -4.006 1.00 0.00 C ATOM 1164 O CYS A 76 5.836 -3.787 -3.558 1.00 0.00 O ATOM 1165 CB CYS A 76 6.825 -2.245 -6.387 1.00 0.00 C ATOM 1166 SG CYS A 76 5.474 -3.251 -7.044 1.00 0.00 S ATOM 0 H CYS A 76 7.428 -4.695 -5.848 1.00 0.00 H new ATOM 0 HA CYS A 76 8.187 -2.093 -4.714 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.471 -1.223 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.629 -2.210 -7.122 1.00 0.00 H new ATOM 0 HG CYS A 76 5.307 -4.298 -6.291 1.00 0.00 H new ATOM 1172 N GLY A 77 5.871 -1.538 -3.628 1.00 0.00 N ATOM 1173 CA GLY A 77 4.818 -1.391 -2.642 1.00 0.00 C ATOM 1174 C GLY A 77 3.678 -0.545 -3.167 1.00 0.00 C ATOM 1175 O GLY A 77 3.893 0.321 -4.017 1.00 0.00 O ATOM 0 H GLY A 77 6.242 -0.659 -3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.442 -2.375 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.225 -0.935 -1.739 1.00 0.00 H new ATOM 1179 N VAL A 78 2.462 -0.790 -2.685 1.00 0.00 N ATOM 1180 CA VAL A 78 1.318 -0.023 -3.156 1.00 0.00 C ATOM 1181 C VAL A 78 0.563 0.663 -2.018 1.00 0.00 C ATOM 1182 O VAL A 78 0.465 0.138 -0.907 1.00 0.00 O ATOM 1183 CB VAL A 78 0.330 -0.905 -3.960 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -0.972 -0.168 -4.255 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.974 -1.401 -5.245 1.00 0.00 C ATOM 0 H VAL A 78 2.248 -1.499 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 78 1.729 0.747 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 78 0.083 -1.769 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.639 -0.819 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.450 0.115 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.759 0.728 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.263 -2.018 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.264 -0.549 -5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.858 -1.992 -5.004 1.00 0.00 H new ATOM 1195 N LEU A 79 0.006 1.832 -2.327 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.779 2.599 -1.361 1.00 0.00 C ATOM 1197 C LEU A 79 -2.056 3.106 -2.019 1.00 0.00 C ATOM 1198 O LEU A 79 -1.996 3.804 -3.030 1.00 0.00 O ATOM 1199 CB LEU A 79 0.012 3.792 -0.809 1.00 0.00 C ATOM 1200 CG LEU A 79 1.533 3.685 -0.899 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.997 3.912 -2.331 1.00 0.00 C ATOM 1202 CD2 LEU A 79 2.185 4.691 0.040 1.00 0.00 C ATOM 0 H LEU A 79 0.084 2.271 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.022 1.935 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.302 4.689 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.262 3.931 0.237 1.00 0.00 H new ATOM 0 HG LEU A 79 1.833 2.682 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.083 3.833 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.549 3.161 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.691 4.905 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.269 4.606 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.881 5.700 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.872 4.488 1.064 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.210 2.766 -1.455 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.477 3.214 -2.025 1.00 0.00 C ATOM 1216 C ILE A 80 -5.238 4.116 -1.059 1.00 0.00 C ATOM 1217 O ILE A 80 -5.636 3.692 0.027 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.388 2.033 -2.450 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.763 0.687 -2.081 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.657 2.086 -3.947 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.552 -0.500 -2.596 1.00 0.00 C ATOM 0 H ILE A 80 -3.296 2.191 -0.617 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.217 3.782 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.331 2.129 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.750 0.643 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.681 0.617 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.298 1.251 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.153 3.025 -4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.713 2.020 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.055 -1.424 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.558 -0.478 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.612 -0.453 -3.683 1.00 0.00 H new ATOM 1233 N THR A 81 -5.444 5.364 -1.473 1.00 0.00 N ATOM 1234 CA THR A 81 -6.163 6.342 -0.663 1.00 0.00 C ATOM 1235 C THR A 81 -7.124 7.148 -1.527 1.00 0.00 C ATOM 1236 O THR A 81 -7.144 6.991 -2.740 1.00 0.00 O ATOM 1237 CB THR A 81 -5.184 7.285 0.032 1.00 0.00 C ATOM 1238 OG1 THR A 81 -5.860 8.410 0.556 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.093 7.789 -0.882 1.00 0.00 C ATOM 0 H THR A 81 -5.120 5.723 -2.371 1.00 0.00 H new ATOM 0 HA THR A 81 -6.733 5.802 0.093 1.00 0.00 H new ATOM 0 HB THR A 81 -4.727 6.695 0.826 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.332 8.799 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.431 8.454 -0.327 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.520 6.944 -1.265 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.539 8.333 -1.715 1.00 0.00 H new ATOM 1247 N ASP A 82 -7.916 8.010 -0.899 1.00 0.00 N ATOM 1248 CA ASP A 82 -8.878 8.834 -1.625 1.00 0.00 C ATOM 1249 C ASP A 82 -8.181 9.941 -2.410 1.00 0.00 C ATOM 1250 O ASP A 82 -6.996 10.208 -2.206 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.893 9.441 -0.656 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.209 9.781 -1.331 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.261 9.754 -2.579 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.186 10.075 -0.611 1.00 0.00 O ATOM 0 H ASP A 82 -7.912 8.157 0.110 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.398 8.191 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.077 8.741 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.472 10.343 -0.212 1.00 0.00 H new ATOM 1259 N LYS A 83 -8.926 10.583 -3.306 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.382 11.663 -4.122 1.00 0.00 C ATOM 1261 C LYS A 83 -7.926 12.833 -3.250 1.00 0.00 C ATOM 1262 O LYS A 83 -7.137 13.671 -3.687 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.422 12.141 -5.138 1.00 0.00 C ATOM 1264 CG LYS A 83 -8.816 12.649 -6.438 1.00 0.00 C ATOM 1265 CD LYS A 83 -9.731 13.647 -7.130 1.00 0.00 C ATOM 1266 CE LYS A 83 -9.793 13.403 -8.629 1.00 0.00 C ATOM 1267 NZ LYS A 83 -9.818 14.677 -9.400 1.00 0.00 N ATOM 0 H LYS A 83 -9.908 10.374 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.515 11.275 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.104 11.320 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.017 12.936 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.854 13.118 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.624 11.808 -7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.733 13.576 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.376 14.660 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.931 12.810 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.682 12.819 -8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.860 14.466 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.654 15.232 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.957 15.224 -9.195 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.416 12.878 -2.010 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.043 13.939 -1.077 1.00 0.00 C ATOM 1283 C GLN A 84 -6.786 13.551 -0.301 1.00 0.00 C ATOM 1284 O GLN A 84 -6.589 13.967 0.840 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.191 14.226 -0.109 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.408 14.847 -0.776 1.00 0.00 C ATOM 1287 CD GLN A 84 -11.085 13.902 -1.750 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -11.099 14.277 -3.024 1.00 0.00 O flip ATOM 1289 NE2 GLN A 84 -11.588 12.848 -1.362 1.00 0.00 N flip ATOM 0 H GLN A 84 -9.070 12.193 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.834 14.842 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.488 13.296 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.836 14.895 0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.123 15.148 -0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.106 15.752 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.554 12.600 -0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.039 12.222 -2.029 1.00 0.00 H new ATOM 1298 N TYR A 85 -5.944 12.748 -0.941 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.702 12.279 -0.355 1.00 0.00 C ATOM 1300 C TYR A 85 -3.606 12.362 -1.411 1.00 0.00 C ATOM 1301 O TYR A 85 -3.328 11.388 -2.110 1.00 0.00 O ATOM 1302 CB TYR A 85 -4.882 10.838 0.125 1.00 0.00 C ATOM 1303 CG TYR A 85 -3.749 10.285 0.966 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.437 10.271 0.502 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.003 9.743 2.222 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.417 9.739 1.265 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -2.987 9.207 2.986 1.00 0.00 C ATOM 1308 CZ TYR A 85 -1.696 9.209 2.504 1.00 0.00 C ATOM 1309 OH TYR A 85 -0.680 8.672 3.260 1.00 0.00 O ATOM 0 H TYR A 85 -6.108 12.404 -1.887 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.424 12.895 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.804 10.779 0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.011 10.196 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.213 10.683 -0.471 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.013 9.742 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.404 9.739 0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.202 8.788 3.958 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.458 9.285 3.992 1.00 0.00 H new ATOM 1319 N PRO A 86 -2.987 13.544 -1.563 1.00 0.00 N ATOM 1320 CA PRO A 86 -1.940 13.770 -2.557 1.00 0.00 C ATOM 1321 C PRO A 86 -0.898 12.658 -2.585 1.00 0.00 C ATOM 1322 O PRO A 86 -0.645 11.997 -1.579 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.305 15.102 -2.132 1.00 0.00 C ATOM 1324 CG PRO A 86 -1.947 15.472 -0.833 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.269 14.765 -0.801 1.00 0.00 C ATOM 0 HA PRO A 86 -2.350 13.788 -3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.226 15.000 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.475 15.872 -2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.324 15.170 0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.081 16.551 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.588 14.544 0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.059 15.358 -1.261 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.304 12.460 -3.756 1.00 0.00 N ATOM 1334 CA VAL A 87 0.711 11.433 -3.943 1.00 0.00 C ATOM 1335 C VAL A 87 1.974 11.751 -3.145 1.00 0.00 C ATOM 1336 O VAL A 87 2.729 10.851 -2.777 1.00 0.00 O ATOM 1337 CB VAL A 87 1.078 11.286 -5.433 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.599 12.602 -5.988 1.00 0.00 C ATOM 1339 CG2 VAL A 87 2.096 10.175 -5.631 1.00 0.00 C ATOM 0 H VAL A 87 -0.511 13.002 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 87 0.289 10.495 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 87 0.175 11.018 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.853 12.478 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.831 13.369 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.488 12.904 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.340 10.090 -6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.000 10.405 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.679 9.232 -5.278 1.00 0.00 H new ATOM 1349 N ARG A 88 2.201 13.036 -2.888 1.00 0.00 N ATOM 1350 CA ARG A 88 3.377 13.470 -2.143 1.00 0.00 C ATOM 1351 C ARG A 88 3.496 12.739 -0.809 1.00 0.00 C ATOM 1352 O ARG A 88 4.469 12.020 -0.580 1.00 0.00 O ATOM 1353 CB ARG A 88 3.340 14.980 -1.926 1.00 0.00 C ATOM 1354 CG ARG A 88 3.622 15.762 -3.195 1.00 0.00 C ATOM 1355 CD ARG A 88 4.972 16.458 -3.141 1.00 0.00 C ATOM 1356 NE ARG A 88 4.881 17.862 -3.537 1.00 0.00 N ATOM 1357 CZ ARG A 88 4.830 18.274 -4.802 1.00 0.00 C ATOM 1358 NH1 ARG A 88 4.858 17.395 -5.795 1.00 0.00 N ATOM 1359 NH2 ARG A 88 4.750 19.569 -5.073 1.00 0.00 N ATOM 0 H ARG A 88 1.586 13.794 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 88 4.258 13.221 -2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.361 15.263 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.073 15.252 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.595 15.088 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.837 16.503 -3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.374 16.392 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.673 15.941 -3.797 1.00 0.00 H new ATOM 0 HE ARG A 88 4.855 18.568 -2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.919 16.397 -5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.819 17.717 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.728 20.249 -4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.711 19.886 -6.042 1.00 0.00 H new ATOM 1373 N PRO A 89 2.507 12.890 0.092 1.00 0.00 N ATOM 1374 CA PRO A 89 2.538 12.209 1.384 1.00 0.00 C ATOM 1375 C PRO A 89 2.593 10.705 1.197 1.00 0.00 C ATOM 1376 O PRO A 89 3.152 9.986 2.025 1.00 0.00 O ATOM 1377 CB PRO A 89 1.232 12.634 2.065 1.00 0.00 C ATOM 1378 CG PRO A 89 0.363 13.139 0.964 1.00 0.00 C ATOM 1379 CD PRO A 89 1.290 13.700 -0.077 1.00 0.00 C ATOM 0 HA PRO A 89 3.416 12.469 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.766 11.795 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.411 13.408 2.812 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.247 12.336 0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.322 13.904 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.876 13.602 -1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.485 14.760 0.085 1.00 0.00 H new ATOM 1387 N ALA A 90 2.055 10.236 0.075 1.00 0.00 N ATOM 1388 CA ALA A 90 2.099 8.822 -0.234 1.00 0.00 C ATOM 1389 C ALA A 90 3.542 8.442 -0.509 1.00 0.00 C ATOM 1390 O ALA A 90 3.960 7.311 -0.263 1.00 0.00 O ATOM 1391 CB ALA A 90 1.209 8.494 -1.425 1.00 0.00 C ATOM 0 H ALA A 90 1.589 10.813 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 90 1.720 8.247 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.261 7.426 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.179 8.769 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.548 9.052 -2.298 1.00 0.00 H new ATOM 1397 N TYR A 91 4.313 9.422 -0.981 1.00 0.00 N ATOM 1398 CA TYR A 91 5.723 9.218 -1.239 1.00 0.00 C ATOM 1399 C TYR A 91 6.433 9.057 0.096 1.00 0.00 C ATOM 1400 O TYR A 91 7.238 8.144 0.286 1.00 0.00 O ATOM 1401 CB TYR A 91 6.305 10.404 -2.011 1.00 0.00 C ATOM 1402 CG TYR A 91 7.485 10.046 -2.887 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.496 9.216 -2.423 1.00 0.00 C ATOM 1404 CD2 TYR A 91 7.586 10.543 -4.181 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.576 8.891 -3.221 1.00 0.00 C ATOM 1406 CE2 TYR A 91 8.662 10.220 -4.987 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.653 9.395 -4.502 1.00 0.00 C ATOM 1408 OH TYR A 91 10.726 9.072 -5.301 1.00 0.00 O ATOM 0 H TYR A 91 3.977 10.362 -1.190 1.00 0.00 H new ATOM 0 HA TYR A 91 5.863 8.324 -1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.523 10.839 -2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.612 11.172 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.437 8.817 -1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.812 11.192 -4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.355 8.246 -2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.725 10.612 -5.991 1.00 0.00 H new ATOM 0 HH TYR A 91 10.627 9.508 -6.173 1.00 0.00 H new ATOM 1418 N THR A 92 6.094 9.940 1.037 1.00 0.00 N ATOM 1419 CA THR A 92 6.666 9.889 2.372 1.00 0.00 C ATOM 1420 C THR A 92 6.302 8.570 3.039 1.00 0.00 C ATOM 1421 O THR A 92 7.150 7.900 3.632 1.00 0.00 O ATOM 1422 CB THR A 92 6.151 11.055 3.215 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.175 12.261 2.471 1.00 0.00 O ATOM 1424 CG2 THR A 92 6.948 11.279 4.480 1.00 0.00 C ATOM 0 H THR A 92 5.426 10.697 0.893 1.00 0.00 H new ATOM 0 HA THR A 92 7.750 9.966 2.292 1.00 0.00 H new ATOM 0 HB THR A 92 5.133 10.782 3.492 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.840 12.995 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.528 12.121 5.030 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.906 10.383 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.985 11.494 4.223 1.00 0.00 H new ATOM 1432 N LEU A 93 5.031 8.199 2.920 1.00 0.00 N ATOM 1433 CA LEU A 93 4.546 6.954 3.496 1.00 0.00 C ATOM 1434 C LEU A 93 5.254 5.775 2.860 1.00 0.00 C ATOM 1435 O LEU A 93 5.831 4.935 3.551 1.00 0.00 O ATOM 1436 CB LEU A 93 3.038 6.818 3.306 1.00 0.00 C ATOM 1437 CG LEU A 93 2.377 5.724 4.147 1.00 0.00 C ATOM 1438 CD1 LEU A 93 0.867 5.850 4.080 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.816 4.343 3.678 1.00 0.00 C ATOM 0 H LEU A 93 4.321 8.743 2.430 1.00 0.00 H new ATOM 0 HA LEU A 93 4.759 6.967 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.569 7.773 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.836 6.618 2.254 1.00 0.00 H new ATOM 0 HG LEU A 93 2.693 5.849 5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.409 5.066 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.566 6.825 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.539 5.750 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.334 3.581 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.531 4.205 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.898 4.254 3.773 1.00 0.00 H new ATOM 1451 N LEU A 94 5.221 5.726 1.537 1.00 0.00 N ATOM 1452 CA LEU A 94 5.880 4.660 0.811 1.00 0.00 C ATOM 1453 C LEU A 94 7.397 4.775 0.968 1.00 0.00 C ATOM 1454 O LEU A 94 8.145 3.877 0.577 1.00 0.00 O ATOM 1455 CB LEU A 94 5.488 4.689 -0.667 1.00 0.00 C ATOM 1456 CG LEU A 94 5.404 3.318 -1.345 1.00 0.00 C ATOM 1457 CD1 LEU A 94 6.790 2.704 -1.478 1.00 0.00 C ATOM 1458 CD2 LEU A 94 4.477 2.382 -0.581 1.00 0.00 C ATOM 0 H LEU A 94 4.746 6.411 0.949 1.00 0.00 H new ATOM 0 HA LEU A 94 5.558 3.706 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.521 5.183 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.212 5.300 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 94 4.989 3.461 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.712 1.730 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.422 3.358 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.231 2.583 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.438 1.417 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.853 2.246 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.476 2.813 -0.542 1.00 0.00 H new ATOM 1470 N ASN A 95 7.842 5.882 1.565 1.00 0.00 N ATOM 1471 CA ASN A 95 9.263 6.103 1.794 1.00 0.00 C ATOM 1472 C ASN A 95 9.738 5.273 2.977 1.00 0.00 C ATOM 1473 O ASN A 95 10.728 4.545 2.886 1.00 0.00 O ATOM 1474 CB ASN A 95 9.542 7.588 2.047 1.00 0.00 C ATOM 1475 CG ASN A 95 10.506 8.176 1.036 1.00 0.00 C ATOM 1476 OD1 ASN A 95 11.605 7.659 0.834 1.00 0.00 O ATOM 1477 ND2 ASN A 95 10.098 9.265 0.394 1.00 0.00 N ATOM 0 H ASN A 95 7.238 6.634 1.896 1.00 0.00 H new ATOM 0 HA ASN A 95 9.809 5.794 0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 95 8.604 8.142 2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.951 7.712 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.704 9.706 -0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 95 9.179 9.660 0.593 1.00 0.00 H new ATOM 1484 N LYS A 96 9.019 5.388 4.087 1.00 0.00 N ATOM 1485 CA LYS A 96 9.355 4.649 5.297 1.00 0.00 C ATOM 1486 C LYS A 96 9.084 3.159 5.119 1.00 0.00 C ATOM 1487 O LYS A 96 9.818 2.321 5.640 1.00 0.00 O ATOM 1488 CB LYS A 96 8.555 5.187 6.485 1.00 0.00 C ATOM 1489 CG LYS A 96 8.910 6.618 6.859 1.00 0.00 C ATOM 1490 CD LYS A 96 7.706 7.540 6.756 1.00 0.00 C ATOM 1491 CE LYS A 96 8.121 9.003 6.775 1.00 0.00 C ATOM 1492 NZ LYS A 96 8.866 9.353 8.017 1.00 0.00 N ATOM 0 H LYS A 96 8.198 5.987 4.174 1.00 0.00 H new ATOM 0 HA LYS A 96 10.419 4.784 5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.492 5.135 6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.723 4.542 7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.301 6.642 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.703 6.980 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.161 7.327 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.024 7.343 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.744 9.215 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.235 9.633 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.012 10.382 8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.318 9.050 8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.788 8.872 8.016 1.00 0.00 H new ATOM 1506 N ILE A 97 8.022 2.832 4.386 1.00 0.00 N ATOM 1507 CA ILE A 97 7.653 1.449 4.147 1.00 0.00 C ATOM 1508 C ILE A 97 8.718 0.713 3.348 1.00 0.00 C ATOM 1509 O ILE A 97 9.191 -0.340 3.763 1.00 0.00 O ATOM 1510 CB ILE A 97 6.308 1.379 3.416 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.694 -0.001 3.533 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.442 1.759 1.955 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.421 -0.125 2.737 1.00 0.00 C ATOM 0 H ILE A 97 7.403 3.514 3.948 1.00 0.00 H new ATOM 0 HA ILE A 97 7.564 0.959 5.116 1.00 0.00 H new ATOM 0 HB ILE A 97 5.649 2.101 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.411 -0.746 3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.488 -0.218 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.467 1.697 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.821 2.778 1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.135 1.076 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.017 -1.131 2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.693 0.601 3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.630 0.065 1.684 1.00 0.00 H new ATOM 1525 N LEU A 98 9.095 1.269 2.202 1.00 0.00 N ATOM 1526 CA LEU A 98 10.112 0.649 1.366 1.00 0.00 C ATOM 1527 C LEU A 98 11.419 0.549 2.139 1.00 0.00 C ATOM 1528 O LEU A 98 12.103 -0.473 2.098 1.00 0.00 O ATOM 1529 CB LEU A 98 10.302 1.438 0.066 1.00 0.00 C ATOM 1530 CG LEU A 98 9.855 0.709 -1.208 1.00 0.00 C ATOM 1531 CD1 LEU A 98 8.547 -0.038 -0.981 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.711 1.692 -2.359 1.00 0.00 C ATOM 0 H LEU A 98 8.714 2.141 1.834 1.00 0.00 H new ATOM 0 HA LEU A 98 9.786 -0.356 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.749 2.374 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.356 1.697 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 98 10.622 -0.022 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.254 -0.545 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.681 -0.773 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.769 0.669 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.393 1.159 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.967 2.446 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.669 2.177 -2.546 1.00 0.00 H new ATOM 1544 N ASP A 99 11.733 1.601 2.889 1.00 0.00 N ATOM 1545 CA ASP A 99 12.929 1.611 3.716 1.00 0.00 C ATOM 1546 C ASP A 99 12.739 0.624 4.861 1.00 0.00 C ATOM 1547 O ASP A 99 13.697 0.055 5.384 1.00 0.00 O ATOM 1548 CB ASP A 99 13.197 3.015 4.262 1.00 0.00 C ATOM 1549 CG ASP A 99 14.208 3.777 3.427 1.00 0.00 C ATOM 1550 OD1 ASP A 99 13.801 4.393 2.420 1.00 0.00 O ATOM 1551 OD2 ASP A 99 15.406 3.756 3.781 1.00 0.00 O ATOM 0 H ASP A 99 11.176 2.454 2.939 1.00 0.00 H new ATOM 0 HA ASP A 99 13.790 1.318 3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.262 3.574 4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.559 2.940 5.287 1.00 0.00 H new ATOM 1556 N GLU A 100 11.474 0.418 5.217 1.00 0.00 N ATOM 1557 CA GLU A 100 11.099 -0.508 6.273 1.00 0.00 C ATOM 1558 C GLU A 100 11.156 -1.934 5.745 1.00 0.00 C ATOM 1559 O GLU A 100 11.485 -2.870 6.474 1.00 0.00 O ATOM 1560 CB GLU A 100 9.698 -0.179 6.789 1.00 0.00 C ATOM 1561 CG GLU A 100 9.176 -1.167 7.820 1.00 0.00 C ATOM 1562 CD GLU A 100 10.045 -1.231 9.062 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.421 -0.158 9.579 1.00 0.00 O ATOM 1564 OE2 GLU A 100 10.348 -2.354 9.517 1.00 0.00 O ATOM 0 H GLU A 100 10.683 0.890 4.780 1.00 0.00 H new ATOM 0 HA GLU A 100 11.799 -0.412 7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.708 0.819 7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.008 -0.150 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.162 -0.887 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.118 -2.158 7.371 1.00 0.00 H new ATOM 1571 N TYR A 101 10.868 -2.084 4.454 1.00 0.00 N ATOM 1572 CA TYR A 101 10.923 -3.384 3.808 1.00 0.00 C ATOM 1573 C TYR A 101 12.374 -3.816 3.679 1.00 0.00 C ATOM 1574 O TYR A 101 12.689 -5.002 3.669 1.00 0.00 O ATOM 1575 CB TYR A 101 10.267 -3.346 2.430 1.00 0.00 C ATOM 1576 CG TYR A 101 9.675 -4.677 2.041 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.466 -5.675 1.485 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.331 -4.946 2.253 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.929 -6.903 1.147 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.789 -6.170 1.925 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.593 -7.146 1.372 1.00 0.00 C ATOM 1582 OH TYR A 101 8.062 -8.371 1.047 1.00 0.00 O ATOM 0 H TYR A 101 10.595 -1.318 3.838 1.00 0.00 H new ATOM 0 HA TYR A 101 10.374 -4.100 4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.485 -2.587 2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 101 11.006 -3.048 1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.516 -5.488 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.698 -4.183 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.554 -7.667 0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.741 -6.364 2.100 1.00 0.00 H new ATOM 0 HH TYR A 101 7.530 -8.707 1.799 1.00 0.00 H new ATOM 1592 N LEU A 102 13.252 -2.824 3.573 1.00 0.00 N ATOM 1593 CA LEU A 102 14.680 -3.063 3.441 1.00 0.00 C ATOM 1594 C LEU A 102 15.292 -3.463 4.783 1.00 0.00 C ATOM 1595 O LEU A 102 16.157 -4.335 4.847 1.00 0.00 O ATOM 1596 CB LEU A 102 15.375 -1.798 2.926 1.00 0.00 C ATOM 1597 CG LEU A 102 15.439 -1.633 1.405 1.00 0.00 C ATOM 1598 CD1 LEU A 102 14.073 -1.849 0.767 1.00 0.00 C ATOM 1599 CD2 LEU A 102 15.975 -0.255 1.053 1.00 0.00 C ATOM 0 H LEU A 102 12.993 -1.837 3.576 1.00 0.00 H new ATOM 0 HA LEU A 102 14.824 -3.878 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.862 -0.931 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.393 -1.784 3.315 1.00 0.00 H new ATOM 0 HG LEU A 102 16.115 -2.391 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.152 -1.725 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.722 -2.856 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.366 -1.121 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.017 -0.147 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.317 0.508 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.976 -0.137 1.468 1.00 0.00 H new ATOM 1611 N VAL A 103 14.851 -2.800 5.851 1.00 0.00 N ATOM 1612 CA VAL A 103 15.372 -3.069 7.188 1.00 0.00 C ATOM 1613 C VAL A 103 14.882 -4.397 7.741 1.00 0.00 C ATOM 1614 O VAL A 103 15.679 -5.205 8.219 1.00 0.00 O ATOM 1615 CB VAL A 103 15.005 -1.949 8.181 1.00 0.00 C ATOM 1616 CG1 VAL A 103 15.130 -2.446 9.615 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.879 -0.726 7.955 1.00 0.00 C ATOM 0 H VAL A 103 14.135 -2.074 5.816 1.00 0.00 H new ATOM 0 HA VAL A 103 16.456 -3.113 7.079 1.00 0.00 H new ATOM 0 HB VAL A 103 13.968 -1.661 8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.867 -1.642 10.303 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.456 -3.289 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.156 -2.763 9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.605 0.054 8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.926 -0.995 8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.734 -0.358 6.939 1.00 0.00 H new ATOM 1627 N ALA A 104 13.573 -4.626 7.682 1.00 0.00 N ATOM 1628 CA ALA A 104 12.995 -5.869 8.186 1.00 0.00 C ATOM 1629 C ALA A 104 13.802 -7.079 7.717 1.00 0.00 C ATOM 1630 O ALA A 104 13.729 -8.158 8.304 1.00 0.00 O ATOM 1631 CB ALA A 104 11.546 -5.992 7.743 1.00 0.00 C ATOM 0 H ALA A 104 12.895 -3.971 7.292 1.00 0.00 H new ATOM 0 HA ALA A 104 13.029 -5.844 9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.126 -6.923 8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.974 -5.150 8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.497 -5.992 6.654 1.00 0.00 H new ATOM 1637 N HIS A 105 14.574 -6.880 6.653 1.00 0.00 N ATOM 1638 CA HIS A 105 15.403 -7.925 6.088 1.00 0.00 C ATOM 1639 C HIS A 105 16.252 -7.358 4.951 1.00 0.00 C ATOM 1640 O HIS A 105 15.735 -6.662 4.077 1.00 0.00 O ATOM 1641 CB HIS A 105 14.538 -9.080 5.577 1.00 0.00 C ATOM 1642 CG HIS A 105 13.236 -8.649 4.967 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.684 -7.418 4.820 1.00 0.00 N flip ATOM 1644 CD2 HIS A 105 12.334 -9.536 4.417 1.00 0.00 C flip ATOM 1645 CE1 HIS A 105 11.475 -7.587 4.192 1.00 0.00 C flip ATOM 1646 NE2 HIS A 105 11.288 -8.872 3.958 1.00 0.00 N flip ATOM 0 H HIS A 105 14.638 -5.988 6.163 1.00 0.00 H new ATOM 0 HA HIS A 105 16.062 -8.308 6.867 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.105 -9.644 4.836 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.332 -9.759 6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.463 -10.607 4.369 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.788 -6.796 3.931 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.474 -9.283 3.501 1.00 0.00 H new ATOM 1655 N PRO A 106 17.571 -7.635 4.955 1.00 0.00 N ATOM 1656 CA PRO A 106 18.503 -7.147 3.939 1.00 0.00 C ATOM 1657 C PRO A 106 17.878 -6.992 2.555 1.00 0.00 C ATOM 1658 O PRO A 106 16.922 -7.685 2.204 1.00 0.00 O ATOM 1659 CB PRO A 106 19.572 -8.233 3.935 1.00 0.00 C ATOM 1660 CG PRO A 106 19.625 -8.720 5.349 1.00 0.00 C ATOM 1661 CD PRO A 106 18.273 -8.441 5.970 1.00 0.00 C ATOM 0 HA PRO A 106 18.869 -6.146 4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.315 -9.039 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.536 -7.838 3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.850 -9.786 5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.415 -8.211 5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.736 -9.364 6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.371 -7.900 6.911 1.00 0.00 H new ATOM 1669 N LYS A 107 18.427 -6.059 1.783 1.00 0.00 N ATOM 1670 CA LYS A 107 17.938 -5.768 0.441 1.00 0.00 C ATOM 1671 C LYS A 107 17.773 -7.030 -0.403 1.00 0.00 C ATOM 1672 O LYS A 107 16.792 -7.174 -1.133 1.00 0.00 O ATOM 1673 CB LYS A 107 18.890 -4.799 -0.262 1.00 0.00 C ATOM 1674 CG LYS A 107 20.272 -5.379 -0.520 1.00 0.00 C ATOM 1675 CD LYS A 107 21.280 -4.290 -0.851 1.00 0.00 C ATOM 1676 CE LYS A 107 22.174 -3.972 0.339 1.00 0.00 C ATOM 1677 NZ LYS A 107 23.608 -4.237 0.041 1.00 0.00 N ATOM 0 H LYS A 107 19.221 -5.486 2.069 1.00 0.00 H new ATOM 0 HA LYS A 107 16.953 -5.313 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 107 18.450 -4.496 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 107 18.991 -3.899 0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 107 20.606 -5.931 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 107 20.221 -6.091 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 107 21.894 -4.606 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.753 -3.388 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 107 22.048 -2.926 0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 107 21.864 -4.570 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 24.184 -4.008 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 23.733 -5.241 -0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 23.911 -3.648 -0.761 1.00 0.00 H new ATOM 1691 N GLU A 108 18.746 -7.926 -0.321 1.00 0.00 N ATOM 1692 CA GLU A 108 18.716 -9.158 -1.101 1.00 0.00 C ATOM 1693 C GLU A 108 17.782 -10.208 -0.500 1.00 0.00 C ATOM 1694 O GLU A 108 17.266 -11.061 -1.221 1.00 0.00 O ATOM 1695 CB GLU A 108 20.128 -9.733 -1.232 1.00 0.00 C ATOM 1696 CG GLU A 108 21.150 -8.727 -1.734 1.00 0.00 C ATOM 1697 CD GLU A 108 20.899 -8.305 -3.169 1.00 0.00 C ATOM 1698 OE1 GLU A 108 19.780 -7.835 -3.462 1.00 0.00 O ATOM 1699 OE2 GLU A 108 21.822 -8.446 -3.999 1.00 0.00 O ATOM 0 H GLU A 108 19.566 -7.824 0.277 1.00 0.00 H new ATOM 0 HA GLU A 108 18.327 -8.903 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.449 -10.111 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.103 -10.584 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.133 -7.846 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 108 22.148 -9.159 -1.656 1.00 0.00 H new ATOM 1706 N GLU A 109 17.571 -10.157 0.815 1.00 0.00 N ATOM 1707 CA GLU A 109 16.702 -11.129 1.481 1.00 0.00 C ATOM 1708 C GLU A 109 15.409 -11.333 0.700 1.00 0.00 C ATOM 1709 O GLU A 109 14.936 -12.459 0.542 1.00 0.00 O ATOM 1710 CB GLU A 109 16.378 -10.684 2.906 1.00 0.00 C ATOM 1711 CG GLU A 109 15.455 -11.645 3.637 1.00 0.00 C ATOM 1712 CD GLU A 109 15.977 -12.035 5.007 1.00 0.00 C ATOM 1713 OE1 GLU A 109 16.846 -11.313 5.539 1.00 0.00 O ATOM 1714 OE2 GLU A 109 15.518 -13.064 5.546 1.00 0.00 O ATOM 0 H GLU A 109 17.985 -9.461 1.435 1.00 0.00 H new ATOM 0 HA GLU A 109 17.240 -12.076 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.306 -10.583 3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.915 -9.698 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.472 -11.186 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.323 -12.544 3.034 1.00 0.00 H new ATOM 1721 N TRP A 110 14.849 -10.238 0.202 1.00 0.00 N ATOM 1722 CA TRP A 110 13.620 -10.299 -0.577 1.00 0.00 C ATOM 1723 C TRP A 110 13.927 -10.192 -2.063 1.00 0.00 C ATOM 1724 O TRP A 110 13.436 -10.979 -2.871 1.00 0.00 O ATOM 1725 CB TRP A 110 12.647 -9.192 -0.166 1.00 0.00 C ATOM 1726 CG TRP A 110 13.300 -7.961 0.384 1.00 0.00 C ATOM 1727 CD1 TRP A 110 13.508 -7.661 1.697 1.00 0.00 C ATOM 1728 CD2 TRP A 110 13.819 -6.858 -0.366 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.110 -6.433 1.812 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.313 -5.922 0.557 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.912 -6.570 -1.730 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 14.886 -4.720 0.162 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.485 -5.377 -2.121 1.00 0.00 C ATOM 1734 CH2 TRP A 110 14.965 -4.463 -1.178 1.00 0.00 C ATOM 0 H TRP A 110 15.226 -9.298 0.324 1.00 0.00 H new ATOM 0 HA TRP A 110 13.148 -11.261 -0.377 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.047 -8.913 -1.032 1.00 0.00 H new ATOM 0 HB3 TRP A 110 11.961 -9.589 0.582 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.238 -8.297 2.527 1.00 0.00 H new ATOM 0 HE1 TRP A 110 14.364 -5.976 2.688 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.542 -7.269 -2.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.257 -4.013 0.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.564 -5.145 -3.173 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.406 -3.537 -1.515 1.00 0.00 H new ATOM 1745 N ALA A 111 14.755 -9.209 -2.409 1.00 0.00 N ATOM 1746 CA ALA A 111 15.160 -8.962 -3.796 1.00 0.00 C ATOM 1747 C ALA A 111 14.103 -9.411 -4.801 1.00 0.00 C ATOM 1748 O ALA A 111 14.421 -10.051 -5.804 1.00 0.00 O ATOM 1749 CB ALA A 111 16.477 -9.664 -4.082 1.00 0.00 C ATOM 0 H ALA A 111 15.166 -8.560 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 111 15.279 -7.885 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.773 -9.477 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.246 -9.283 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.359 -10.736 -3.927 1.00 0.00 H new ATOM 1755 N ASP A 112 12.845 -9.093 -4.516 1.00 0.00 N ATOM 1756 CA ASP A 112 11.741 -9.482 -5.384 1.00 0.00 C ATOM 1757 C ASP A 112 11.440 -10.944 -5.183 1.00 0.00 C ATOM 1758 O ASP A 112 11.905 -11.803 -5.932 1.00 0.00 O ATOM 1759 CB ASP A 112 12.073 -9.240 -6.850 1.00 0.00 C ATOM 1760 CG ASP A 112 10.845 -8.923 -7.682 1.00 0.00 C ATOM 1761 OD1 ASP A 112 9.722 -9.221 -7.221 1.00 0.00 O ATOM 1762 OD2 ASP A 112 11.006 -8.376 -8.793 1.00 0.00 O ATOM 0 H ASP A 112 12.565 -8.566 -3.689 1.00 0.00 H new ATOM 0 HA ASP A 112 10.875 -8.874 -5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.782 -8.416 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 112 12.565 -10.123 -7.258 1.00 0.00 H new ATOM 1767 N VAL A 113 10.686 -11.221 -4.150 1.00 0.00 N ATOM 1768 CA VAL A 113 10.344 -12.581 -3.820 1.00 0.00 C ATOM 1769 C VAL A 113 9.022 -13.005 -4.450 1.00 0.00 C ATOM 1770 O VAL A 113 8.250 -12.171 -4.923 1.00 0.00 O ATOM 1771 CB VAL A 113 10.240 -12.763 -2.303 1.00 0.00 C ATOM 1772 CG1 VAL A 113 10.424 -14.221 -1.952 1.00 0.00 C ATOM 1773 CG2 VAL A 113 11.259 -11.911 -1.568 1.00 0.00 C ATOM 0 H VAL A 113 10.296 -10.520 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 113 11.142 -13.207 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 113 9.249 -12.435 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.350 -14.347 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.651 -14.813 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.405 -14.556 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.156 -12.066 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.264 -12.195 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.090 -10.860 -1.801 1.00 0.00 H new ATOM 1920 N LYS A 123 3.409 -3.985 10.767 1.00 0.00 N ATOM 1921 CA LYS A 123 2.700 -3.014 11.594 1.00 0.00 C ATOM 1922 C LYS A 123 3.086 -1.587 11.212 1.00 0.00 C ATOM 1923 O LYS A 123 2.313 -0.650 11.406 1.00 0.00 O ATOM 1924 CB LYS A 123 2.999 -3.259 13.076 1.00 0.00 C ATOM 1925 CG LYS A 123 1.762 -3.223 13.959 1.00 0.00 C ATOM 1926 CD LYS A 123 0.995 -4.534 13.900 1.00 0.00 C ATOM 1927 CE LYS A 123 -0.065 -4.608 14.986 1.00 0.00 C ATOM 1928 NZ LYS A 123 -0.840 -5.879 14.921 1.00 0.00 N ATOM 0 HA LYS A 123 1.631 -3.139 11.421 1.00 0.00 H new ATOM 0 HB2 LYS A 123 3.485 -4.229 13.185 1.00 0.00 H new ATOM 0 HB3 LYS A 123 3.707 -2.507 13.425 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.055 -3.018 14.989 1.00 0.00 H new ATOM 0 HG3 LYS A 123 1.113 -2.406 13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.524 -4.637 12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.688 -5.368 14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.410 -4.522 15.963 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.746 -3.762 14.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.553 -5.890 15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.314 -5.950 13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.195 -6.686 15.041 1.00 0.00 H new ATOM 1942 N GLN A 124 4.290 -1.432 10.666 1.00 0.00 N ATOM 1943 CA GLN A 124 4.783 -0.125 10.250 1.00 0.00 C ATOM 1944 C GLN A 124 3.803 0.554 9.299 1.00 0.00 C ATOM 1945 O GLN A 124 3.122 1.509 9.672 1.00 0.00 O ATOM 1946 CB GLN A 124 6.147 -0.268 9.575 1.00 0.00 C ATOM 1947 CG GLN A 124 7.316 0.047 10.492 1.00 0.00 C ATOM 1948 CD GLN A 124 7.610 -1.076 11.467 1.00 0.00 C ATOM 1949 OE1 GLN A 124 7.929 -2.251 10.937 1.00 0.00 O flip ATOM 1950 NE2 GLN A 124 7.552 -0.890 12.683 1.00 0.00 N flip ATOM 0 H GLN A 124 4.942 -2.199 10.502 1.00 0.00 H new ATOM 0 HA GLN A 124 4.884 0.497 11.140 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.253 -1.287 9.202 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.186 0.394 8.710 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.203 0.242 9.890 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.101 0.959 11.048 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.303 0.030 13.047 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.753 -1.656 13.326 1.00 0.00 H new ATOM 1959 N LEU A 125 3.737 0.056 8.067 1.00 0.00 N ATOM 1960 CA LEU A 125 2.840 0.621 7.067 1.00 0.00 C ATOM 1961 C LEU A 125 1.403 0.619 7.565 1.00 0.00 C ATOM 1962 O LEU A 125 0.617 1.501 7.219 1.00 0.00 O ATOM 1963 CB LEU A 125 2.934 -0.152 5.750 1.00 0.00 C ATOM 1964 CG LEU A 125 2.782 -1.671 5.869 1.00 0.00 C ATOM 1965 CD1 LEU A 125 1.326 -2.074 5.696 1.00 0.00 C ATOM 1966 CD2 LEU A 125 3.657 -2.374 4.840 1.00 0.00 C ATOM 0 H LEU A 125 4.292 -0.735 7.740 1.00 0.00 H new ATOM 0 HA LEU A 125 3.149 1.651 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.165 0.221 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.897 0.065 5.289 1.00 0.00 H new ATOM 0 HG LEU A 125 3.107 -1.975 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.235 -3.157 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.722 -1.596 6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 125 0.976 -1.759 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.538 -3.453 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.360 -2.065 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.701 -2.108 5.007 1.00 0.00 H new ATOM 1978 N ASP A 126 1.061 -0.373 8.382 1.00 0.00 N ATOM 1979 CA ASP A 126 -0.290 -0.470 8.922 1.00 0.00 C ATOM 1980 C ASP A 126 -0.640 0.785 9.712 1.00 0.00 C ATOM 1981 O ASP A 126 -1.606 1.484 9.400 1.00 0.00 O ATOM 1982 CB ASP A 126 -0.431 -1.704 9.814 1.00 0.00 C ATOM 1983 CG ASP A 126 -0.013 -2.980 9.112 1.00 0.00 C ATOM 1984 OD1 ASP A 126 -0.043 -3.008 7.864 1.00 0.00 O ATOM 1985 OD2 ASP A 126 0.342 -3.953 9.810 1.00 0.00 O ATOM 0 H ASP A 126 1.694 -1.114 8.682 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.982 -0.565 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.175 -1.571 10.710 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.467 -1.796 10.140 1.00 0.00 H new ATOM 1990 N THR A 127 0.161 1.070 10.732 1.00 0.00 N ATOM 1991 CA THR A 127 -0.048 2.245 11.565 1.00 0.00 C ATOM 1992 C THR A 127 0.025 3.516 10.726 1.00 0.00 C ATOM 1993 O THR A 127 -0.582 4.531 11.065 1.00 0.00 O ATOM 1994 CB THR A 127 0.992 2.299 12.684 1.00 0.00 C ATOM 1995 OG1 THR A 127 0.953 1.116 13.462 1.00 0.00 O ATOM 1996 CG2 THR A 127 0.800 3.472 13.621 1.00 0.00 C ATOM 0 H THR A 127 0.963 0.501 11.002 1.00 0.00 H new ATOM 0 HA THR A 127 -1.041 2.175 12.010 1.00 0.00 H new ATOM 0 HB THR A 127 1.953 2.409 12.182 1.00 0.00 H new ATOM 0 HG1 THR A 127 1.362 0.380 12.960 1.00 0.00 H new ATOM 0 HG21 THR A 127 1.570 3.452 14.392 1.00 0.00 H new ATOM 0 HG22 THR A 127 0.874 4.403 13.059 1.00 0.00 H new ATOM 0 HG23 THR A 127 -0.183 3.407 14.088 1.00 0.00 H new ATOM 2004 N TYR A 128 0.778 3.456 9.632 1.00 0.00 N ATOM 2005 CA TYR A 128 0.932 4.602 8.752 1.00 0.00 C ATOM 2006 C TYR A 128 -0.352 4.871 7.986 1.00 0.00 C ATOM 2007 O TYR A 128 -0.880 5.980 8.015 1.00 0.00 O ATOM 2008 CB TYR A 128 2.085 4.371 7.774 1.00 0.00 C ATOM 2009 CG TYR A 128 3.437 4.750 8.336 1.00 0.00 C ATOM 2010 CD1 TYR A 128 3.614 5.946 9.022 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.535 3.914 8.182 1.00 0.00 C ATOM 2012 CE1 TYR A 128 4.846 6.297 9.539 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.770 4.257 8.697 1.00 0.00 C ATOM 2014 CZ TYR A 128 5.921 5.449 9.373 1.00 0.00 C ATOM 2015 OH TYR A 128 7.150 5.794 9.887 1.00 0.00 O ATOM 0 H TYR A 128 1.290 2.625 9.336 1.00 0.00 H new ATOM 0 HA TYR A 128 1.157 5.473 9.367 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.102 3.320 7.486 1.00 0.00 H new ATOM 0 HB3 TYR A 128 1.903 4.947 6.867 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.774 6.612 9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.422 2.980 7.651 1.00 0.00 H new ATOM 0 HE1 TYR A 128 4.967 7.230 10.070 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.613 3.594 8.571 1.00 0.00 H new ATOM 0 HH TYR A 128 7.799 5.088 9.684 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.851 3.851 7.303 1.00 0.00 N ATOM 2026 CA ILE A 129 -2.067 3.981 6.528 1.00 0.00 C ATOM 2027 C ILE A 129 -3.256 4.368 7.402 1.00 0.00 C ATOM 2028 O ILE A 129 -4.215 4.973 6.922 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.386 2.676 5.784 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.652 2.859 4.939 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.535 1.529 6.772 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.880 2.251 5.562 1.00 0.00 C ATOM 0 H ILE A 129 -0.428 2.923 7.273 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.896 4.777 5.804 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.563 2.429 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.823 3.924 4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.492 2.412 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.761 0.610 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.605 1.404 7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.346 1.750 7.466 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.738 2.417 4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.728 1.180 5.695 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.064 2.715 6.531 1.00 0.00 H new ATOM 2044 N SER A 130 -3.196 4.017 8.682 1.00 0.00 N ATOM 2045 CA SER A 130 -4.280 4.335 9.602 1.00 0.00 C ATOM 2046 C SER A 130 -4.216 5.801 10.025 1.00 0.00 C ATOM 2047 O SER A 130 -5.241 6.474 10.128 1.00 0.00 O ATOM 2048 CB SER A 130 -4.219 3.416 10.827 1.00 0.00 C ATOM 2049 OG SER A 130 -4.321 4.149 12.037 1.00 0.00 O ATOM 0 H SER A 130 -2.414 3.516 9.103 1.00 0.00 H new ATOM 0 HA SER A 130 -5.229 4.172 9.091 1.00 0.00 H new ATOM 0 HB2 SER A 130 -5.026 2.685 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 130 -3.283 2.858 10.817 1.00 0.00 H new ATOM 0 HG SER A 130 -5.235 4.080 12.385 1.00 0.00 H new ATOM 2055 N LYS A 131 -3.006 6.282 10.271 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.796 7.664 10.688 1.00 0.00 C ATOM 2057 C LYS A 131 -2.750 8.607 9.487 1.00 0.00 C ATOM 2058 O LYS A 131 -3.113 9.778 9.592 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.499 7.774 11.493 1.00 0.00 C ATOM 2060 CG LYS A 131 -1.616 7.278 12.929 1.00 0.00 C ATOM 2061 CD LYS A 131 -2.526 6.063 13.045 1.00 0.00 C ATOM 2062 CE LYS A 131 -2.659 5.605 14.489 1.00 0.00 C ATOM 2063 NZ LYS A 131 -4.007 5.034 14.768 1.00 0.00 N ATOM 0 H LYS A 131 -2.150 5.734 10.189 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.637 7.960 11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.719 7.206 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.178 8.816 11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.625 7.025 13.306 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -2.001 8.080 13.558 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -3.511 6.305 12.646 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -2.128 5.249 12.439 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -1.896 4.857 14.705 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -2.476 6.448 15.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -3.955 4.412 15.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -4.679 5.806 14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -4.329 4.485 13.945 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.294 8.091 8.351 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.191 8.889 7.132 1.00 0.00 C ATOM 2079 C TYR A 132 -3.565 9.255 6.576 1.00 0.00 C ATOM 2080 O TYR A 132 -3.677 10.121 5.707 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.359 8.158 6.079 1.00 0.00 C ATOM 2082 CG TYR A 132 0.082 8.620 6.037 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.427 9.827 5.438 1.00 0.00 C ATOM 2084 CD2 TYR A 132 1.097 7.855 6.600 1.00 0.00 C ATOM 2085 CE1 TYR A 132 1.740 10.256 5.401 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.413 8.278 6.566 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.728 9.479 5.965 1.00 0.00 C ATOM 2088 OH TYR A 132 4.037 9.903 5.929 1.00 0.00 O ATOM 0 H TYR A 132 -1.989 7.123 8.248 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.686 9.820 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.386 7.087 6.282 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.811 8.308 5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.344 10.439 4.994 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.854 6.915 7.072 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.991 11.196 4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 132 3.190 7.671 7.008 1.00 0.00 H new ATOM 0 HH TYR A 132 4.608 9.240 6.371 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.611 8.598 7.079 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.980 8.862 6.634 1.00 0.00 C ATOM 2100 C GLN A 133 -6.235 10.360 6.464 1.00 0.00 C ATOM 2101 O GLN A 133 -6.998 10.773 5.591 1.00 0.00 O ATOM 2102 CB GLN A 133 -6.979 8.275 7.635 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.970 7.306 7.012 1.00 0.00 C ATOM 2104 CD GLN A 133 -9.314 7.315 7.715 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.447 7.847 8.817 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -10.318 6.724 7.079 1.00 0.00 N ATOM 0 H GLN A 133 -4.536 7.877 7.797 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.113 8.385 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.430 7.762 8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.528 9.090 8.107 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.112 7.562 5.962 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -7.555 6.298 7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.162 6.296 6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.245 6.698 7.503 1.00 0.00 H new