USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1045 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 34 SER OG : rot 139:sc= -1.56! USER MOD Set 1.2: A 89 SER OG : rot 180:sc= -0.0883 USER MOD Set 2.1: A 12 CYS SG : rot -170:sc= -1.07 USER MOD Set 2.2: A 14 LYS NZ :NH3+ -118:sc= 0.00574 (180deg=-1.11) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.257 (180deg=-1.11) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00903 USER MOD Single : A 18 SER OG : rot 21:sc= 0.155 USER MOD Single : A 20 TYR OH : rot -12:sc= 1.23 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0242) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -1.78! USER MOD Single : A 52 LYS NZ :NH3+ -148:sc= -0.137 (180deg=-0.756) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.332) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.256) USER MOD Single : A 65 SER OG : rot 27:sc= 1.22 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.174 F(o=-0.95,f=-0.17) USER MOD Single : A 76 GLN : amide:sc= -2.31 K(o=-2.3,f=-6.4!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 86 THR OG1 : rot -169:sc= 0.928 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -30:sc= -0.152 USER MOD Single : A 97 GLN : amide:sc= -0.0895 K(o=-0.089,f=-1.2) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 74:sc= 0.108 USER MOD Single : A 120 ASN :FLIP amide:sc= -0.0697 F(o=-0.62,f=-0.07) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN :FLIP amide:sc= -1.06 F(o=-2!,f=-1.1) USER MOD Single : A 126 HIS :FLIP no HD1:sc= -3.13 F(o=-5,f=-3.1) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 GLN : amide:sc=-0.000278 X(o=-0.00028,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.433 34.590 1.289 1.00 0.00 N ATOM 2 CA MET A 1 5.266 33.422 2.196 1.00 0.00 C ATOM 3 C MET A 1 5.438 32.112 1.432 1.00 0.00 C ATOM 4 O MET A 1 5.145 32.038 0.239 1.00 0.00 O ATOM 5 CB MET A 1 3.868 33.475 2.822 1.00 0.00 C ATOM 6 CG MET A 1 3.558 34.777 3.545 1.00 0.00 C ATOM 7 SD MET A 1 1.914 35.412 3.156 1.00 0.00 S ATOM 8 CE MET A 1 1.271 35.748 4.794 1.00 0.00 C ATOM 0 H1 MET A 1 5.861 35.379 1.814 1.00 0.00 H new ATOM 0 H2 MET A 1 6.051 34.327 0.495 1.00 0.00 H new ATOM 0 H3 MET A 1 4.504 34.881 0.923 1.00 0.00 H new ATOM 0 HA MET A 1 6.028 33.465 2.974 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.125 33.321 2.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.765 32.649 3.525 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.637 34.619 4.621 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.305 35.524 3.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.260 36.146 4.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.252 34.825 5.374 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.909 36.477 5.293 1.00 0.00 H new ATOM 20 N ALA A 2 5.908 31.079 2.123 1.00 0.00 N ATOM 21 CA ALA A 2 6.110 29.776 1.501 1.00 0.00 C ATOM 22 C ALA A 2 6.646 28.764 2.507 1.00 0.00 C ATOM 23 O ALA A 2 6.060 27.698 2.702 1.00 0.00 O ATOM 24 CB ALA A 2 7.053 29.895 0.311 1.00 0.00 C ATOM 0 H ALA A 2 6.156 31.119 3.112 1.00 0.00 H new ATOM 0 HA ALA A 2 5.143 29.418 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.193 28.913 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.626 30.577 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.016 30.280 0.647 1.00 0.00 H new ATOM 30 N ALA A 3 7.761 29.102 3.144 1.00 0.00 N ATOM 31 CA ALA A 3 8.372 28.220 4.131 1.00 0.00 C ATOM 32 C ALA A 3 7.734 28.393 5.508 1.00 0.00 C ATOM 33 O ALA A 3 8.432 28.488 6.518 1.00 0.00 O ATOM 34 CB ALA A 3 9.870 28.472 4.204 1.00 0.00 C ATOM 0 H ALA A 3 8.260 29.979 2.995 1.00 0.00 H new ATOM 0 HA ALA A 3 8.200 27.191 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.315 27.807 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.319 28.282 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.051 29.508 4.491 1.00 0.00 H new ATOM 40 N GLU A 4 6.404 28.430 5.541 1.00 0.00 N ATOM 41 CA GLU A 4 5.673 28.588 6.796 1.00 0.00 C ATOM 42 C GLU A 4 4.317 27.882 6.743 1.00 0.00 C ATOM 43 O GLU A 4 3.480 28.070 7.624 1.00 0.00 O ATOM 44 CB GLU A 4 5.475 30.073 7.111 1.00 0.00 C ATOM 45 CG GLU A 4 4.470 30.770 6.205 1.00 0.00 C ATOM 46 CD GLU A 4 3.721 31.883 6.913 1.00 0.00 C ATOM 47 OE1 GLU A 4 3.421 31.726 8.114 1.00 0.00 O ATOM 48 OE2 GLU A 4 3.436 32.913 6.265 1.00 0.00 O ATOM 0 H GLU A 4 5.811 28.353 4.715 1.00 0.00 H new ATOM 0 HA GLU A 4 6.265 28.128 7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.147 30.174 8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.435 30.582 7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.990 31.180 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.755 30.037 5.830 1.00 0.00 H new ATOM 55 N LEU A 5 4.108 27.073 5.708 1.00 0.00 N ATOM 56 CA LEU A 5 2.857 26.348 5.545 1.00 0.00 C ATOM 57 C LEU A 5 3.102 25.037 4.806 1.00 0.00 C ATOM 58 O LEU A 5 2.786 24.905 3.624 1.00 0.00 O ATOM 59 CB LEU A 5 1.840 27.204 4.784 1.00 0.00 C ATOM 60 CG LEU A 5 0.477 27.363 5.465 1.00 0.00 C ATOM 61 CD1 LEU A 5 0.638 27.920 6.872 1.00 0.00 C ATOM 62 CD2 LEU A 5 -0.426 28.264 4.637 1.00 0.00 C ATOM 0 H LEU A 5 4.792 26.905 4.970 1.00 0.00 H new ATOM 0 HA LEU A 5 2.452 26.124 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.268 28.194 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.686 26.765 3.798 1.00 0.00 H new ATOM 0 HG LEU A 5 0.014 26.379 5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.343 28.025 7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.250 27.240 7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.122 28.895 6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.391 28.367 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.036 29.246 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.571 27.825 3.650 1.00 0.00 H new ATOM 74 N GLU A 6 3.674 24.070 5.512 1.00 0.00 N ATOM 75 CA GLU A 6 3.969 22.771 4.925 1.00 0.00 C ATOM 76 C GLU A 6 3.634 21.650 5.900 1.00 0.00 C ATOM 77 O GLU A 6 4.354 21.420 6.871 1.00 0.00 O ATOM 78 CB GLU A 6 5.444 22.687 4.523 1.00 0.00 C ATOM 79 CG GLU A 6 6.400 23.124 5.621 1.00 0.00 C ATOM 80 CD GLU A 6 7.854 22.897 5.252 1.00 0.00 C ATOM 81 OE1 GLU A 6 8.250 21.722 5.097 1.00 0.00 O ATOM 82 OE2 GLU A 6 8.596 23.892 5.121 1.00 0.00 O ATOM 0 H GLU A 6 3.943 24.161 6.492 1.00 0.00 H new ATOM 0 HA GLU A 6 3.352 22.655 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.676 21.661 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.608 23.308 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.244 24.181 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.171 22.577 6.536 1.00 0.00 H new ATOM 89 N TYR A 7 2.533 20.959 5.635 1.00 0.00 N ATOM 90 CA TYR A 7 2.097 19.863 6.489 1.00 0.00 C ATOM 91 C TYR A 7 2.864 18.585 6.167 1.00 0.00 C ATOM 92 O TYR A 7 2.942 18.171 5.010 1.00 0.00 O ATOM 93 CB TYR A 7 0.592 19.633 6.322 1.00 0.00 C ATOM 94 CG TYR A 7 -0.242 20.876 6.546 1.00 0.00 C ATOM 95 CD1 TYR A 7 0.248 21.945 7.289 1.00 0.00 C ATOM 96 CD2 TYR A 7 -1.523 20.980 6.018 1.00 0.00 C ATOM 97 CE1 TYR A 7 -0.512 23.079 7.496 1.00 0.00 C ATOM 98 CE2 TYR A 7 -2.290 22.112 6.221 1.00 0.00 C ATOM 99 CZ TYR A 7 -1.779 23.158 6.961 1.00 0.00 C ATOM 100 OH TYR A 7 -2.539 24.286 7.166 1.00 0.00 O ATOM 0 H TYR A 7 1.926 21.138 4.835 1.00 0.00 H new ATOM 0 HA TYR A 7 2.303 20.132 7.525 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.401 19.254 5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.272 18.860 7.021 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.240 21.887 7.711 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.926 20.162 5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.115 23.900 8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.284 22.177 5.803 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.406 24.182 6.721 1.00 0.00 H new ATOM 110 N GLU A 8 3.430 17.965 7.197 1.00 0.00 N ATOM 111 CA GLU A 8 4.193 16.734 7.022 1.00 0.00 C ATOM 112 C GLU A 8 3.260 15.541 6.862 1.00 0.00 C ATOM 113 O GLU A 8 2.965 14.832 7.825 1.00 0.00 O ATOM 114 CB GLU A 8 5.129 16.515 8.213 1.00 0.00 C ATOM 115 CG GLU A 8 6.596 16.419 7.822 1.00 0.00 C ATOM 116 CD GLU A 8 6.945 15.088 7.183 1.00 0.00 C ATOM 117 OE1 GLU A 8 6.083 14.184 7.183 1.00 0.00 O ATOM 118 OE2 GLU A 8 8.081 14.950 6.682 1.00 0.00 O ATOM 0 H GLU A 8 3.375 18.294 8.161 1.00 0.00 H new ATOM 0 HA GLU A 8 4.792 16.828 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.002 17.335 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.838 15.601 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.837 17.225 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.214 16.566 8.708 1.00 0.00 H new ATOM 125 N SER A 9 2.798 15.326 5.637 1.00 0.00 N ATOM 126 CA SER A 9 1.899 14.221 5.346 1.00 0.00 C ATOM 127 C SER A 9 1.939 13.861 3.867 1.00 0.00 C ATOM 128 O SER A 9 1.777 14.722 3.004 1.00 0.00 O ATOM 129 CB SER A 9 0.468 14.577 5.763 1.00 0.00 C ATOM 130 OG SER A 9 0.362 15.944 6.127 1.00 0.00 O ATOM 0 H SER A 9 3.032 15.904 4.830 1.00 0.00 H new ATOM 0 HA SER A 9 2.231 13.354 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.216 14.363 4.942 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.165 13.951 6.602 1.00 0.00 H new ATOM 0 HG SER A 9 -0.562 16.143 6.387 1.00 0.00 H new ATOM 136 N VAL A 10 2.166 12.586 3.579 1.00 0.00 N ATOM 137 CA VAL A 10 2.235 12.116 2.195 1.00 0.00 C ATOM 138 C VAL A 10 0.956 12.444 1.413 1.00 0.00 C ATOM 139 O VAL A 10 1.028 12.888 0.267 1.00 0.00 O ATOM 140 CB VAL A 10 2.495 10.598 2.135 1.00 0.00 C ATOM 141 CG1 VAL A 10 3.783 10.253 2.867 1.00 0.00 C ATOM 142 CG2 VAL A 10 1.323 9.821 2.715 1.00 0.00 C ATOM 0 H VAL A 10 2.305 11.858 4.280 1.00 0.00 H new ATOM 0 HA VAL A 10 3.068 12.643 1.730 1.00 0.00 H new ATOM 0 HB VAL A 10 2.602 10.311 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.954 9.178 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.618 10.775 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.702 10.559 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.532 8.753 2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.175 10.109 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.421 10.044 2.145 1.00 0.00 H new ATOM 152 N LEU A 11 -0.209 12.235 2.037 1.00 0.00 N ATOM 153 CA LEU A 11 -1.498 12.520 1.409 1.00 0.00 C ATOM 154 C LEU A 11 -1.831 11.517 0.306 1.00 0.00 C ATOM 155 O LEU A 11 -2.416 11.866 -0.720 1.00 0.00 O ATOM 156 CB LEU A 11 -1.539 13.968 0.889 1.00 0.00 C ATOM 157 CG LEU A 11 -1.149 14.182 -0.584 1.00 0.00 C ATOM 158 CD1 LEU A 11 -2.357 14.615 -1.403 1.00 0.00 C ATOM 159 CD2 LEU A 11 -0.031 15.212 -0.704 1.00 0.00 C ATOM 0 H LEU A 11 -0.282 11.866 2.985 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.269 12.412 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.548 14.354 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.875 14.571 1.508 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.786 13.233 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.059 14.761 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.127 13.845 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.751 15.550 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.228 15.347 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.366 16.162 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.845 14.864 -0.156 1.00 0.00 H new ATOM 171 N CYS A 12 -1.486 10.263 0.539 1.00 0.00 N ATOM 172 CA CYS A 12 -1.778 9.212 -0.431 1.00 0.00 C ATOM 173 C CYS A 12 -3.194 8.701 -0.241 1.00 0.00 C ATOM 174 O CYS A 12 -3.662 8.556 0.885 1.00 0.00 O ATOM 175 CB CYS A 12 -0.788 8.045 -0.329 1.00 0.00 C ATOM 176 SG CYS A 12 -0.839 6.929 -1.748 1.00 0.00 S ATOM 0 H CYS A 12 -1.008 9.945 1.382 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.676 9.650 -1.424 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.221 8.443 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -1.000 7.477 0.577 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.133 5.868 -1.491 1.00 0.00 H new ATOM 182 N VAL A 13 -3.871 8.430 -1.350 1.00 0.00 N ATOM 183 CA VAL A 13 -5.239 7.932 -1.312 1.00 0.00 C ATOM 184 C VAL A 13 -5.564 7.179 -2.595 1.00 0.00 C ATOM 185 O VAL A 13 -4.860 7.319 -3.589 1.00 0.00 O ATOM 186 CB VAL A 13 -6.252 9.081 -1.127 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.962 9.853 0.151 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.228 10.010 -2.332 1.00 0.00 C ATOM 0 H VAL A 13 -3.493 8.548 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.318 7.258 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.250 8.649 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.688 10.659 0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.032 9.181 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.958 10.274 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.948 10.815 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.230 10.433 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.489 9.449 -3.229 1.00 0.00 H new ATOM 198 N LYS A 14 -6.631 6.384 -2.571 1.00 0.00 N ATOM 199 CA LYS A 14 -7.031 5.617 -3.746 1.00 0.00 C ATOM 200 C LYS A 14 -8.391 4.955 -3.532 1.00 0.00 C ATOM 201 O LYS A 14 -8.499 3.949 -2.830 1.00 0.00 O ATOM 202 CB LYS A 14 -5.977 4.556 -4.077 1.00 0.00 C ATOM 203 CG LYS A 14 -5.515 4.595 -5.525 1.00 0.00 C ATOM 204 CD LYS A 14 -4.282 5.469 -5.702 1.00 0.00 C ATOM 205 CE LYS A 14 -3.018 4.749 -5.267 1.00 0.00 C ATOM 206 NZ LYS A 14 -2.598 5.134 -3.891 1.00 0.00 N ATOM 0 H LYS A 14 -7.230 6.255 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.114 6.308 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.115 4.695 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.385 3.569 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.294 3.583 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.321 4.973 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.192 5.764 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.398 6.384 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.183 3.672 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.214 4.975 -5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.661 5.583 -3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.287 5.803 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.552 4.285 -3.292 1.00 0.00 H new ATOM 220 N PRO A 15 -9.452 5.522 -4.134 1.00 0.00 N ATOM 221 CA PRO A 15 -10.814 4.995 -4.006 1.00 0.00 C ATOM 222 C PRO A 15 -11.021 3.692 -4.766 1.00 0.00 C ATOM 223 O PRO A 15 -11.932 2.920 -4.461 1.00 0.00 O ATOM 224 CB PRO A 15 -11.679 6.096 -4.615 1.00 0.00 C ATOM 225 CG PRO A 15 -10.783 6.797 -5.577 1.00 0.00 C ATOM 226 CD PRO A 15 -9.404 6.728 -4.984 1.00 0.00 C ATOM 0 HA PRO A 15 -11.052 4.758 -2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.552 5.680 -5.119 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.048 6.778 -3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.811 6.319 -6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.096 7.832 -5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.639 6.644 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.173 7.620 -4.402 1.00 0.00 H new ATOM 234 N ASP A 16 -10.183 3.456 -5.764 1.00 0.00 N ATOM 235 CA ASP A 16 -10.289 2.251 -6.575 1.00 0.00 C ATOM 236 C ASP A 16 -9.026 1.410 -6.471 1.00 0.00 C ATOM 237 O ASP A 16 -8.038 1.665 -7.159 1.00 0.00 O ATOM 238 CB ASP A 16 -10.562 2.627 -8.030 1.00 0.00 C ATOM 239 CG ASP A 16 -11.658 3.669 -8.150 1.00 0.00 C ATOM 240 OD1 ASP A 16 -12.497 3.752 -7.229 1.00 0.00 O ATOM 241 OD2 ASP A 16 -11.675 4.401 -9.162 1.00 0.00 O ATOM 0 H ASP A 16 -9.423 4.081 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.120 1.654 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.647 3.009 -8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.847 1.735 -8.588 1.00 0.00 H new ATOM 246 N VAL A 17 -9.066 0.409 -5.600 1.00 0.00 N ATOM 247 CA VAL A 17 -7.925 -0.470 -5.395 1.00 0.00 C ATOM 248 C VAL A 17 -8.352 -1.800 -4.786 1.00 0.00 C ATOM 249 O VAL A 17 -9.368 -1.883 -4.096 1.00 0.00 O ATOM 250 CB VAL A 17 -6.875 0.191 -4.479 1.00 0.00 C ATOM 251 CG1 VAL A 17 -7.463 0.481 -3.104 1.00 0.00 C ATOM 252 CG2 VAL A 17 -5.636 -0.683 -4.366 1.00 0.00 C ATOM 0 H VAL A 17 -9.878 0.187 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.484 -0.654 -6.375 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.581 1.140 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.705 0.947 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.313 1.155 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.792 -0.451 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.907 -0.199 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.910 -1.651 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.201 -0.827 -5.355 1.00 0.00 H new ATOM 262 N SER A 18 -7.561 -2.837 -5.033 1.00 0.00 N ATOM 263 CA SER A 18 -7.854 -4.158 -4.494 1.00 0.00 C ATOM 264 C SER A 18 -6.717 -4.635 -3.619 1.00 0.00 C ATOM 265 O SER A 18 -5.551 -4.442 -3.945 1.00 0.00 O ATOM 266 CB SER A 18 -8.085 -5.169 -5.613 1.00 0.00 C ATOM 267 OG SER A 18 -8.664 -6.361 -5.109 1.00 0.00 O ATOM 0 H SER A 18 -6.715 -2.789 -5.601 1.00 0.00 H new ATOM 0 HA SER A 18 -8.764 -4.077 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.738 -4.735 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.138 -5.399 -6.102 1.00 0.00 H new ATOM 0 HG SER A 18 -9.088 -6.179 -4.244 1.00 0.00 H new ATOM 273 N VAL A 19 -7.060 -5.266 -2.512 1.00 0.00 N ATOM 274 CA VAL A 19 -6.060 -5.775 -1.601 1.00 0.00 C ATOM 275 C VAL A 19 -6.411 -7.193 -1.165 1.00 0.00 C ATOM 276 O VAL A 19 -7.584 -7.545 -1.039 1.00 0.00 O ATOM 277 CB VAL A 19 -5.905 -4.856 -0.380 1.00 0.00 C ATOM 278 CG1 VAL A 19 -7.256 -4.560 0.242 1.00 0.00 C ATOM 279 CG2 VAL A 19 -4.953 -5.470 0.637 1.00 0.00 C ATOM 0 H VAL A 19 -8.024 -5.437 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.105 -5.799 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.475 -3.911 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.124 -3.908 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.894 -4.067 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.722 -5.492 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.857 -4.803 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.345 -6.432 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.975 -5.615 0.179 1.00 0.00 H new ATOM 289 N TYR A 20 -5.381 -8.008 -0.969 1.00 0.00 N ATOM 290 CA TYR A 20 -5.558 -9.400 -0.584 1.00 0.00 C ATOM 291 C TYR A 20 -5.117 -9.628 0.865 1.00 0.00 C ATOM 292 O TYR A 20 -4.339 -8.848 1.415 1.00 0.00 O ATOM 293 CB TYR A 20 -4.756 -10.307 -1.529 1.00 0.00 C ATOM 294 CG TYR A 20 -5.152 -10.214 -2.997 1.00 0.00 C ATOM 295 CD1 TYR A 20 -5.438 -8.994 -3.610 1.00 0.00 C ATOM 296 CD2 TYR A 20 -5.238 -11.363 -3.773 1.00 0.00 C ATOM 297 CE1 TYR A 20 -5.798 -8.929 -4.942 1.00 0.00 C ATOM 298 CE2 TYR A 20 -5.597 -11.304 -5.108 1.00 0.00 C ATOM 299 CZ TYR A 20 -5.877 -10.087 -5.685 1.00 0.00 C ATOM 300 OH TYR A 20 -6.237 -10.027 -7.013 1.00 0.00 O ATOM 0 H TYR A 20 -4.407 -7.724 -1.072 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.617 -9.647 -0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.699 -10.059 -1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.871 -11.340 -1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.377 -8.083 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.020 -12.321 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.017 -7.975 -5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.657 -12.209 -5.694 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.584 -9.134 -7.218 1.00 0.00 H new ATOM 310 N ARG A 21 -5.621 -10.700 1.478 1.00 0.00 N ATOM 311 CA ARG A 21 -5.278 -11.025 2.863 1.00 0.00 C ATOM 312 C ARG A 21 -4.875 -12.493 3.008 1.00 0.00 C ATOM 313 O ARG A 21 -5.333 -13.349 2.252 1.00 0.00 O ATOM 314 CB ARG A 21 -6.463 -10.726 3.784 1.00 0.00 C ATOM 315 CG ARG A 21 -6.103 -10.735 5.260 1.00 0.00 C ATOM 316 CD ARG A 21 -7.345 -10.674 6.137 1.00 0.00 C ATOM 317 NE ARG A 21 -7.134 -9.858 7.331 1.00 0.00 N ATOM 318 CZ ARG A 21 -8.113 -9.245 7.995 1.00 0.00 C ATOM 319 NH1 ARG A 21 -9.375 -9.372 7.602 1.00 0.00 N ATOM 320 NH2 ARG A 21 -7.829 -8.506 9.058 1.00 0.00 N ATOM 0 H ARG A 21 -6.266 -11.356 1.039 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.427 -10.406 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.877 -9.751 3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.246 -11.462 3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.536 -11.637 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.457 -9.886 5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.175 -10.266 5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.629 -11.684 6.434 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.180 -9.751 7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.600 -9.942 6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.119 -8.900 8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.862 -8.407 9.367 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.578 -8.036 9.567 1.00 0.00 H new ATOM 334 N ILE A 22 -4.017 -12.778 3.990 1.00 0.00 N ATOM 335 CA ILE A 22 -3.556 -14.144 4.238 1.00 0.00 C ATOM 336 C ILE A 22 -3.474 -14.433 5.740 1.00 0.00 C ATOM 337 O ILE A 22 -2.399 -14.339 6.334 1.00 0.00 O ATOM 338 CB ILE A 22 -2.166 -14.403 3.615 1.00 0.00 C ATOM 339 CG1 ILE A 22 -2.151 -14.013 2.133 1.00 0.00 C ATOM 340 CG2 ILE A 22 -1.771 -15.867 3.786 1.00 0.00 C ATOM 341 CD1 ILE A 22 -1.123 -12.951 1.801 1.00 0.00 C ATOM 0 H ILE A 22 -3.628 -12.081 4.625 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.286 -14.805 3.771 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.437 -13.783 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.952 -14.901 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.140 -13.652 1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.790 -16.033 3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.735 -16.113 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.506 -16.502 3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.167 -12.723 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.334 -12.048 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.128 -13.317 2.053 1.00 0.00 H new ATOM 353 N PRO A 23 -4.605 -14.795 6.379 1.00 0.00 N ATOM 354 CA PRO A 23 -4.642 -15.097 7.812 1.00 0.00 C ATOM 355 C PRO A 23 -3.448 -15.933 8.272 1.00 0.00 C ATOM 356 O PRO A 23 -2.746 -15.558 9.210 1.00 0.00 O ATOM 357 CB PRO A 23 -5.950 -15.885 7.995 1.00 0.00 C ATOM 358 CG PRO A 23 -6.582 -15.981 6.639 1.00 0.00 C ATOM 359 CD PRO A 23 -5.930 -14.939 5.772 1.00 0.00 C ATOM 0 HA PRO A 23 -4.595 -14.186 8.408 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.752 -16.877 8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.613 -15.379 8.697 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.440 -16.976 6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.657 -15.812 6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.866 -15.260 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.484 -14.000 5.782 1.00 0.00 H new ATOM 367 N PRO A 24 -3.196 -17.083 7.618 1.00 0.00 N ATOM 368 CA PRO A 24 -2.078 -17.960 7.978 1.00 0.00 C ATOM 369 C PRO A 24 -0.730 -17.316 7.689 1.00 0.00 C ATOM 370 O PRO A 24 -0.644 -16.111 7.448 1.00 0.00 O ATOM 371 CB PRO A 24 -2.284 -19.191 7.091 1.00 0.00 C ATOM 372 CG PRO A 24 -3.082 -18.698 5.936 1.00 0.00 C ATOM 373 CD PRO A 24 -3.973 -17.619 6.485 1.00 0.00 C ATOM 0 HA PRO A 24 -2.066 -18.188 9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.331 -19.607 6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.810 -19.981 7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.434 -18.308 5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.669 -19.503 5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.181 -16.851 5.740 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.935 -18.017 6.809 1.00 0.00 H new ATOM 381 N ARG A 25 0.320 -18.125 7.712 1.00 0.00 N ATOM 382 CA ARG A 25 1.665 -17.636 7.449 1.00 0.00 C ATOM 383 C ARG A 25 2.651 -18.792 7.384 1.00 0.00 C ATOM 384 O ARG A 25 3.430 -19.012 8.312 1.00 0.00 O ATOM 385 CB ARG A 25 2.094 -16.636 8.526 1.00 0.00 C ATOM 386 CG ARG A 25 3.445 -15.992 8.253 1.00 0.00 C ATOM 387 CD ARG A 25 3.304 -14.512 7.937 1.00 0.00 C ATOM 388 NE ARG A 25 3.271 -13.697 9.150 1.00 0.00 N ATOM 389 CZ ARG A 25 2.326 -12.798 9.423 1.00 0.00 C ATOM 390 NH1 ARG A 25 1.330 -12.583 8.572 1.00 0.00 N ATOM 391 NH2 ARG A 25 2.379 -12.109 10.555 1.00 0.00 N ATOM 0 H ARG A 25 0.266 -19.124 7.910 1.00 0.00 H new ATOM 0 HA ARG A 25 1.660 -17.128 6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.338 -15.855 8.607 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.131 -17.145 9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.092 -16.120 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.929 -16.499 7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.136 -14.194 7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.391 -14.348 7.365 1.00 0.00 H new ATOM 0 HE ARG A 25 4.019 -13.825 9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.283 -13.108 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.612 -11.892 8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.142 -12.268 11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.657 -11.420 10.767 1.00 0.00 H new ATOM 405 N ALA A 26 2.617 -19.529 6.279 1.00 0.00 N ATOM 406 CA ALA A 26 3.512 -20.665 6.087 1.00 0.00 C ATOM 407 C ALA A 26 4.908 -20.209 5.667 1.00 0.00 C ATOM 408 O ALA A 26 5.634 -20.939 4.992 1.00 0.00 O ATOM 409 CB ALA A 26 2.928 -21.615 5.055 1.00 0.00 C ATOM 0 H ALA A 26 1.979 -19.360 5.502 1.00 0.00 H new ATOM 0 HA ALA A 26 3.609 -21.188 7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.602 -22.461 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.959 -21.976 5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.804 -21.091 4.107 1.00 0.00 H new ATOM 415 N SER A 27 5.275 -18.997 6.076 1.00 0.00 N ATOM 416 CA SER A 27 6.577 -18.433 5.752 1.00 0.00 C ATOM 417 C SER A 27 6.723 -17.051 6.382 1.00 0.00 C ATOM 418 O SER A 27 5.840 -16.204 6.247 1.00 0.00 O ATOM 419 CB SER A 27 6.761 -18.343 4.237 1.00 0.00 C ATOM 420 OG SER A 27 8.089 -18.668 3.866 1.00 0.00 O ATOM 0 H SER A 27 4.682 -18.385 6.636 1.00 0.00 H new ATOM 0 HA SER A 27 7.348 -19.089 6.156 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.065 -19.020 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.521 -17.335 3.897 1.00 0.00 H new ATOM 0 HG SER A 27 8.181 -18.605 2.892 1.00 0.00 H new ATOM 426 N ASN A 28 7.835 -16.834 7.078 1.00 0.00 N ATOM 427 CA ASN A 28 8.090 -15.555 7.739 1.00 0.00 C ATOM 428 C ASN A 28 7.785 -14.382 6.812 1.00 0.00 C ATOM 429 O ASN A 28 7.335 -13.325 7.257 1.00 0.00 O ATOM 430 CB ASN A 28 9.546 -15.483 8.210 1.00 0.00 C ATOM 431 CG ASN A 28 9.677 -15.633 9.713 1.00 0.00 C ATOM 432 OD1 ASN A 28 8.685 -15.797 10.423 1.00 0.00 O ATOM 433 ND2 ASN A 28 10.909 -15.578 10.206 1.00 0.00 N ATOM 0 H ASN A 28 8.575 -17.526 7.200 1.00 0.00 H new ATOM 0 HA ASN A 28 7.428 -15.487 8.603 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.123 -16.266 7.718 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.977 -14.530 7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.061 -15.673 11.210 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.703 -15.441 9.581 1.00 0.00 H new ATOM 440 N ARG A 29 8.032 -14.576 5.523 1.00 0.00 N ATOM 441 CA ARG A 29 7.785 -13.538 4.530 1.00 0.00 C ATOM 442 C ARG A 29 7.342 -14.151 3.205 1.00 0.00 C ATOM 443 O ARG A 29 7.664 -15.300 2.905 1.00 0.00 O ATOM 444 CB ARG A 29 9.047 -12.698 4.321 1.00 0.00 C ATOM 445 CG ARG A 29 10.301 -13.528 4.109 1.00 0.00 C ATOM 446 CD ARG A 29 11.559 -12.708 4.338 1.00 0.00 C ATOM 447 NE ARG A 29 12.709 -13.260 3.624 1.00 0.00 N ATOM 448 CZ ARG A 29 13.129 -12.823 2.437 1.00 0.00 C ATOM 449 NH1 ARG A 29 12.494 -11.835 1.818 1.00 0.00 N ATOM 450 NH2 ARG A 29 14.188 -13.380 1.863 1.00 0.00 N ATOM 0 H ARG A 29 8.404 -15.445 5.140 1.00 0.00 H new ATOM 0 HA ARG A 29 6.985 -12.896 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.902 -12.047 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.191 -12.052 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.293 -14.381 4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.306 -13.928 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.388 -11.682 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.778 -12.671 5.405 1.00 0.00 H new ATOM 0 HE ARG A 29 13.221 -14.026 4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.677 -11.404 2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.823 -11.507 0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.680 -14.142 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.510 -13.046 0.955 1.00 0.00 H new ATOM 464 N GLY A 30 6.602 -13.379 2.416 1.00 0.00 N ATOM 465 CA GLY A 30 6.130 -13.868 1.134 1.00 0.00 C ATOM 466 C GLY A 30 7.263 -14.142 0.164 1.00 0.00 C ATOM 467 O GLY A 30 8.310 -13.500 0.225 1.00 0.00 O ATOM 0 H GLY A 30 6.321 -12.425 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.557 -14.783 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.451 -13.136 0.697 1.00 0.00 H new ATOM 471 N TYR A 31 7.050 -15.101 -0.730 1.00 0.00 N ATOM 472 CA TYR A 31 8.059 -15.465 -1.717 1.00 0.00 C ATOM 473 C TYR A 31 7.447 -16.351 -2.799 1.00 0.00 C ATOM 474 O TYR A 31 6.812 -17.362 -2.498 1.00 0.00 O ATOM 475 CB TYR A 31 9.223 -16.189 -1.035 1.00 0.00 C ATOM 476 CG TYR A 31 10.583 -15.842 -1.601 1.00 0.00 C ATOM 477 CD1 TYR A 31 10.905 -16.138 -2.920 1.00 0.00 C ATOM 478 CD2 TYR A 31 11.548 -15.224 -0.814 1.00 0.00 C ATOM 479 CE1 TYR A 31 12.149 -15.828 -3.437 1.00 0.00 C ATOM 480 CE2 TYR A 31 12.793 -14.911 -1.324 1.00 0.00 C ATOM 481 CZ TYR A 31 13.089 -15.215 -2.636 1.00 0.00 C ATOM 482 OH TYR A 31 14.327 -14.904 -3.146 1.00 0.00 O ATOM 0 H TYR A 31 6.187 -15.641 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 31 8.436 -14.556 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.212 -15.950 0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.069 -17.265 -1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.172 -16.618 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.320 -14.984 0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.384 -16.065 -4.464 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.531 -14.431 -0.698 1.00 0.00 H new ATOM 0 HH TYR A 31 14.869 -14.475 -2.451 1.00 0.00 H new ATOM 492 N ARG A 32 7.633 -15.962 -4.057 1.00 0.00 N ATOM 493 CA ARG A 32 7.090 -16.718 -5.184 1.00 0.00 C ATOM 494 C ARG A 32 5.564 -16.699 -5.160 1.00 0.00 C ATOM 495 O ARG A 32 4.918 -17.717 -4.908 1.00 0.00 O ATOM 496 CB ARG A 32 7.605 -18.160 -5.165 1.00 0.00 C ATOM 497 CG ARG A 32 9.114 -18.268 -5.328 1.00 0.00 C ATOM 498 CD ARG A 32 9.494 -18.986 -6.615 1.00 0.00 C ATOM 499 NE ARG A 32 9.931 -20.357 -6.365 1.00 0.00 N ATOM 500 CZ ARG A 32 10.974 -20.677 -5.601 1.00 0.00 C ATOM 501 NH1 ARG A 32 11.703 -19.730 -5.024 1.00 0.00 N ATOM 502 NH2 ARG A 32 11.295 -21.951 -5.419 1.00 0.00 N ATOM 0 H ARG A 32 8.156 -15.127 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 32 7.427 -16.243 -6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.315 -18.629 -4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.120 -18.721 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.552 -17.270 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.534 -18.802 -4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.639 -18.995 -7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.291 -18.436 -7.116 1.00 0.00 H new ATOM 0 HE ARG A 32 9.406 -21.115 -6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.466 -18.748 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.500 -19.984 -4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.743 -22.685 -5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.094 -22.197 -4.834 1.00 0.00 H new ATOM 516 N ALA A 33 4.996 -15.526 -5.419 1.00 0.00 N ATOM 517 CA ALA A 33 3.550 -15.352 -5.425 1.00 0.00 C ATOM 518 C ALA A 33 2.878 -16.281 -6.432 1.00 0.00 C ATOM 519 O ALA A 33 1.816 -16.842 -6.161 1.00 0.00 O ATOM 520 CB ALA A 33 3.201 -13.904 -5.723 1.00 0.00 C ATOM 0 H ALA A 33 5.520 -14.677 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 33 3.175 -15.613 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.118 -13.784 -5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.636 -13.260 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.599 -13.627 -6.699 1.00 0.00 H new ATOM 526 N SER A 34 3.506 -16.448 -7.593 1.00 0.00 N ATOM 527 CA SER A 34 2.967 -17.322 -8.632 1.00 0.00 C ATOM 528 C SER A 34 2.689 -18.712 -8.065 1.00 0.00 C ATOM 529 O SER A 34 1.829 -19.440 -8.561 1.00 0.00 O ATOM 530 CB SER A 34 3.948 -17.423 -9.805 1.00 0.00 C ATOM 531 OG SER A 34 3.452 -16.751 -10.951 1.00 0.00 O ATOM 0 H SER A 34 4.385 -15.992 -7.838 1.00 0.00 H new ATOM 0 HA SER A 34 2.031 -16.894 -8.991 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.908 -16.995 -9.517 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.126 -18.472 -10.044 1.00 0.00 H new ATOM 0 HG SER A 34 4.182 -16.264 -11.386 1.00 0.00 H new ATOM 537 N ASP A 35 3.414 -19.061 -7.006 1.00 0.00 N ATOM 538 CA ASP A 35 3.241 -20.350 -6.350 1.00 0.00 C ATOM 539 C ASP A 35 2.308 -20.229 -5.149 1.00 0.00 C ATOM 540 O ASP A 35 1.708 -21.212 -4.719 1.00 0.00 O ATOM 541 CB ASP A 35 4.593 -20.918 -5.912 1.00 0.00 C ATOM 542 CG ASP A 35 4.767 -22.372 -6.312 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.191 -22.625 -7.459 1.00 0.00 O ATOM 544 OD2 ASP A 35 4.479 -23.256 -5.478 1.00 0.00 O ATOM 0 H ASP A 35 4.128 -18.467 -6.584 1.00 0.00 H new ATOM 0 HA ASP A 35 2.790 -21.034 -7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.394 -20.324 -6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.689 -20.828 -4.830 1.00 0.00 H new ATOM 549 N TRP A 36 2.195 -19.018 -4.606 1.00 0.00 N ATOM 550 CA TRP A 36 1.341 -18.782 -3.449 1.00 0.00 C ATOM 551 C TRP A 36 -0.130 -18.745 -3.850 1.00 0.00 C ATOM 552 O TRP A 36 -0.973 -19.347 -3.186 1.00 0.00 O ATOM 553 CB TRP A 36 1.742 -17.478 -2.751 1.00 0.00 C ATOM 554 CG TRP A 36 1.558 -17.501 -1.259 1.00 0.00 C ATOM 555 CD1 TRP A 36 1.149 -16.461 -0.474 1.00 0.00 C ATOM 556 CD2 TRP A 36 1.778 -18.609 -0.371 1.00 0.00 C ATOM 557 NE1 TRP A 36 1.099 -16.850 0.842 1.00 0.00 N ATOM 558 CE2 TRP A 36 1.479 -18.163 0.932 1.00 0.00 C ATOM 559 CE3 TRP A 36 2.196 -19.933 -0.546 1.00 0.00 C ATOM 560 CZ2 TRP A 36 1.583 -18.992 2.046 1.00 0.00 C ATOM 561 CZ3 TRP A 36 2.298 -20.752 0.559 1.00 0.00 C ATOM 562 CH2 TRP A 36 1.993 -20.281 1.840 1.00 0.00 C ATOM 0 H TRP A 36 2.683 -18.190 -4.948 1.00 0.00 H new ATOM 0 HA TRP A 36 1.476 -19.609 -2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.787 -17.265 -2.975 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.154 -16.660 -3.167 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.901 -15.474 -0.836 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.824 -16.258 1.625 1.00 0.00 H new ATOM 0 HE3 TRP A 36 2.435 -20.307 -1.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.349 -18.631 3.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 2.619 -21.775 0.433 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.083 -20.949 2.684 1.00 0.00 H new ATOM 573 N LYS A 37 -0.438 -18.047 -4.940 1.00 0.00 N ATOM 574 CA LYS A 37 -1.816 -17.954 -5.415 1.00 0.00 C ATOM 575 C LYS A 37 -2.706 -17.297 -4.362 1.00 0.00 C ATOM 576 O LYS A 37 -2.459 -17.422 -3.162 1.00 0.00 O ATOM 577 CB LYS A 37 -2.350 -19.352 -5.748 1.00 0.00 C ATOM 578 CG LYS A 37 -3.036 -19.446 -7.103 1.00 0.00 C ATOM 579 CD LYS A 37 -4.429 -18.836 -7.075 1.00 0.00 C ATOM 580 CE LYS A 37 -5.346 -19.565 -6.103 1.00 0.00 C ATOM 581 NZ LYS A 37 -6.343 -20.418 -6.807 1.00 0.00 N ATOM 0 H LYS A 37 0.242 -17.541 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.830 -17.339 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.523 -20.062 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.055 -19.654 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.431 -18.936 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.103 -20.491 -7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.360 -17.786 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.860 -18.869 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.747 -20.184 -5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.867 -18.837 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.000 -20.829 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.876 -19.840 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.851 -21.182 -7.313 1.00 0.00 H new ATOM 595 N LEU A 38 -3.739 -16.595 -4.814 1.00 0.00 N ATOM 596 CA LEU A 38 -4.655 -15.920 -3.903 1.00 0.00 C ATOM 597 C LEU A 38 -5.817 -15.280 -4.666 1.00 0.00 C ATOM 598 O LEU A 38 -6.000 -14.063 -4.639 1.00 0.00 O ATOM 599 CB LEU A 38 -3.908 -14.863 -3.077 1.00 0.00 C ATOM 600 CG LEU A 38 -2.573 -14.384 -3.668 1.00 0.00 C ATOM 601 CD1 LEU A 38 -2.593 -12.879 -3.884 1.00 0.00 C ATOM 602 CD2 LEU A 38 -1.411 -14.785 -2.765 1.00 0.00 C ATOM 0 H LEU A 38 -3.962 -16.479 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.067 -16.666 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.560 -13.999 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.720 -15.270 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.434 -14.865 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.639 -12.559 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.397 -12.621 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.757 -12.377 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.475 -14.437 -3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.543 -14.335 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.384 -15.870 -2.667 1.00 0.00 H new ATOM 614 N ASP A 39 -6.601 -16.118 -5.340 1.00 0.00 N ATOM 615 CA ASP A 39 -7.753 -15.652 -6.112 1.00 0.00 C ATOM 616 C ASP A 39 -8.974 -15.441 -5.217 1.00 0.00 C ATOM 617 O ASP A 39 -9.946 -14.803 -5.623 1.00 0.00 O ATOM 618 CB ASP A 39 -8.092 -16.658 -7.217 1.00 0.00 C ATOM 619 CG ASP A 39 -8.649 -17.960 -6.670 1.00 0.00 C ATOM 620 OD1 ASP A 39 -8.262 -18.347 -5.547 1.00 0.00 O ATOM 621 OD2 ASP A 39 -9.475 -18.591 -7.364 1.00 0.00 O ATOM 0 H ASP A 39 -6.460 -17.128 -5.368 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.487 -14.695 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.818 -16.214 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.195 -16.867 -7.800 1.00 0.00 H new ATOM 626 N GLN A 40 -8.920 -15.978 -4.003 1.00 0.00 N ATOM 627 CA GLN A 40 -10.023 -15.840 -3.062 1.00 0.00 C ATOM 628 C GLN A 40 -9.851 -14.581 -2.216 1.00 0.00 C ATOM 629 O GLN A 40 -10.645 -13.646 -2.318 1.00 0.00 O ATOM 630 CB GLN A 40 -10.123 -17.076 -2.166 1.00 0.00 C ATOM 631 CG GLN A 40 -11.407 -17.867 -2.362 1.00 0.00 C ATOM 632 CD GLN A 40 -11.152 -19.319 -2.720 1.00 0.00 C ATOM 633 OE1 GLN A 40 -10.742 -20.115 -1.876 1.00 0.00 O ATOM 634 NE2 GLN A 40 -11.395 -19.670 -3.978 1.00 0.00 N ATOM 0 H GLN A 40 -8.126 -16.511 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.949 -15.750 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.271 -17.727 -2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.053 -16.766 -1.124 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.000 -17.821 -1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.999 -17.401 -3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.734 -18.976 -4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.242 -20.633 -4.277 1.00 0.00 H new ATOM 643 N PRO A 41 -8.802 -14.528 -1.374 1.00 0.00 N ATOM 644 CA PRO A 41 -8.541 -13.362 -0.527 1.00 0.00 C ATOM 645 C PRO A 41 -8.134 -12.147 -1.354 1.00 0.00 C ATOM 646 O PRO A 41 -6.986 -12.032 -1.783 1.00 0.00 O ATOM 647 CB PRO A 41 -7.392 -13.818 0.375 1.00 0.00 C ATOM 648 CG PRO A 41 -6.717 -14.911 -0.380 1.00 0.00 C ATOM 649 CD PRO A 41 -7.790 -15.587 -1.187 1.00 0.00 C ATOM 0 HA PRO A 41 -9.423 -13.049 0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.704 -12.998 0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.763 -14.173 1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.936 -14.512 -1.027 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.239 -15.616 0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.407 -15.948 -2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.203 -16.449 -0.663 1.00 0.00 H new ATOM 657 N ASP A 42 -9.085 -11.245 -1.579 1.00 0.00 N ATOM 658 CA ASP A 42 -8.839 -10.039 -2.360 1.00 0.00 C ATOM 659 C ASP A 42 -10.051 -9.106 -2.315 1.00 0.00 C ATOM 660 O ASP A 42 -10.807 -9.013 -3.284 1.00 0.00 O ATOM 661 CB ASP A 42 -8.516 -10.399 -3.812 1.00 0.00 C ATOM 662 CG ASP A 42 -9.503 -11.383 -4.412 1.00 0.00 C ATOM 663 OD1 ASP A 42 -10.639 -11.475 -3.903 1.00 0.00 O ATOM 664 OD2 ASP A 42 -9.136 -12.063 -5.395 1.00 0.00 O ATOM 0 H ASP A 42 -10.039 -11.329 -1.228 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.984 -9.523 -1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.507 -9.490 -4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.513 -10.823 -3.861 1.00 0.00 H new ATOM 669 N TRP A 43 -10.237 -8.420 -1.186 1.00 0.00 N ATOM 670 CA TRP A 43 -11.364 -7.507 -1.033 1.00 0.00 C ATOM 671 C TRP A 43 -11.152 -6.235 -1.858 1.00 0.00 C ATOM 672 O TRP A 43 -10.038 -5.945 -2.290 1.00 0.00 O ATOM 673 CB TRP A 43 -11.614 -7.173 0.453 1.00 0.00 C ATOM 674 CG TRP A 43 -10.387 -7.000 1.305 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.521 -7.973 1.719 1.00 0.00 C ATOM 676 CD2 TRP A 43 -9.924 -5.778 1.891 1.00 0.00 C ATOM 677 NE1 TRP A 43 -8.545 -7.428 2.517 1.00 0.00 N ATOM 678 CE2 TRP A 43 -8.769 -6.082 2.637 1.00 0.00 C ATOM 679 CE3 TRP A 43 -10.370 -4.454 1.853 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -8.059 -5.113 3.342 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.665 -3.492 2.552 1.00 0.00 C ATOM 682 CH2 TRP A 43 -8.520 -3.826 3.287 1.00 0.00 C ATOM 0 H TRP A 43 -9.626 -8.480 -0.372 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.255 -8.008 -1.412 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.201 -6.256 0.505 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -12.224 -7.966 0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.594 -9.018 1.457 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.778 -7.942 2.950 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.250 -4.187 1.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.177 -5.368 3.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.002 -2.466 2.531 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.990 -3.051 3.821 1.00 0.00 H new ATOM 693 N THR A 44 -12.231 -5.481 -2.076 1.00 0.00 N ATOM 694 CA THR A 44 -12.155 -4.244 -2.849 1.00 0.00 C ATOM 695 C THR A 44 -12.628 -3.055 -2.019 1.00 0.00 C ATOM 696 O THR A 44 -13.616 -3.144 -1.292 1.00 0.00 O ATOM 697 CB THR A 44 -12.987 -4.353 -4.132 1.00 0.00 C ATOM 698 OG1 THR A 44 -12.835 -3.187 -4.922 1.00 0.00 O ATOM 699 CG2 THR A 44 -14.469 -4.542 -3.882 1.00 0.00 C ATOM 0 H THR A 44 -13.163 -5.706 -1.729 1.00 0.00 H new ATOM 0 HA THR A 44 -11.112 -4.084 -3.122 1.00 0.00 H new ATOM 0 HB THR A 44 -12.609 -5.238 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.371 -3.273 -5.738 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.993 -4.611 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.628 -5.458 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.854 -3.693 -3.317 1.00 0.00 H new ATOM 707 N GLY A 45 -11.909 -1.943 -2.133 1.00 0.00 N ATOM 708 CA GLY A 45 -12.264 -0.750 -1.388 1.00 0.00 C ATOM 709 C GLY A 45 -11.290 0.384 -1.630 1.00 0.00 C ATOM 710 O GLY A 45 -10.517 0.350 -2.588 1.00 0.00 O ATOM 0 H GLY A 45 -11.086 -1.847 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.267 -0.432 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.291 -0.983 -0.323 1.00 0.00 H new ATOM 714 N ARG A 46 -11.316 1.387 -0.760 1.00 0.00 N ATOM 715 CA ARG A 46 -10.416 2.522 -0.890 1.00 0.00 C ATOM 716 C ARG A 46 -9.281 2.418 0.113 1.00 0.00 C ATOM 717 O ARG A 46 -9.499 2.113 1.285 1.00 0.00 O ATOM 718 CB ARG A 46 -11.159 3.842 -0.688 1.00 0.00 C ATOM 719 CG ARG A 46 -10.236 5.041 -0.549 1.00 0.00 C ATOM 720 CD ARG A 46 -10.015 5.395 0.910 1.00 0.00 C ATOM 721 NE ARG A 46 -9.766 6.821 1.090 1.00 0.00 N ATOM 722 CZ ARG A 46 -10.724 7.729 1.276 1.00 0.00 C ATOM 723 NH1 ARG A 46 -12.000 7.364 1.311 1.00 0.00 N ATOM 724 NH2 ARG A 46 -10.407 9.007 1.427 1.00 0.00 N ATOM 0 H ARG A 46 -11.948 1.436 0.039 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.007 2.505 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.830 4.005 -1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.781 3.767 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.279 4.823 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.664 5.896 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.889 5.103 1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.170 4.827 1.298 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.798 7.143 1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.253 6.383 1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.727 8.065 1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.429 9.296 1.401 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.141 9.701 1.569 1.00 0.00 H new ATOM 738 N LEU A 47 -8.072 2.684 -0.352 1.00 0.00 N ATOM 739 CA LEU A 47 -6.902 2.632 0.505 1.00 0.00 C ATOM 740 C LEU A 47 -6.166 3.960 0.473 1.00 0.00 C ATOM 741 O LEU A 47 -6.088 4.611 -0.570 1.00 0.00 O ATOM 742 CB LEU A 47 -5.966 1.510 0.068 1.00 0.00 C ATOM 743 CG LEU A 47 -4.718 1.343 0.936 1.00 0.00 C ATOM 744 CD1 LEU A 47 -4.857 0.130 1.842 1.00 0.00 C ATOM 745 CD2 LEU A 47 -3.474 1.226 0.066 1.00 0.00 C ATOM 0 H LEU A 47 -7.876 2.938 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.234 2.434 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.521 0.572 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.655 1.695 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.613 2.228 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.960 0.027 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.724 0.257 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.987 -0.765 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.596 1.108 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.568 0.359 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.366 2.127 -0.538 1.00 0.00 H new ATOM 757 N ARG A 48 -5.631 4.363 1.615 1.00 0.00 N ATOM 758 CA ARG A 48 -4.910 5.619 1.698 1.00 0.00 C ATOM 759 C ARG A 48 -3.987 5.656 2.907 1.00 0.00 C ATOM 760 O ARG A 48 -4.021 4.765 3.758 1.00 0.00 O ATOM 761 CB ARG A 48 -5.894 6.787 1.752 1.00 0.00 C ATOM 762 CG ARG A 48 -6.707 6.873 3.033 1.00 0.00 C ATOM 763 CD ARG A 48 -7.576 8.122 3.036 1.00 0.00 C ATOM 764 NE ARG A 48 -7.651 8.760 4.346 1.00 0.00 N ATOM 765 CZ ARG A 48 -8.789 8.955 5.010 1.00 0.00 C ATOM 766 NH1 ARG A 48 -9.933 8.458 4.554 1.00 0.00 N ATOM 767 NH2 ARG A 48 -8.783 9.634 6.144 1.00 0.00 N ATOM 0 H ARG A 48 -5.683 3.842 2.490 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.292 5.708 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.340 7.717 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.579 6.707 0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.335 5.987 3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.038 6.887 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.181 8.835 2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.582 7.859 2.708 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.782 9.075 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.946 7.921 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.799 8.614 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.907 10.008 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.654 9.784 6.653 1.00 0.00 H new ATOM 781 N ILE A 49 -3.165 6.698 2.979 1.00 0.00 N ATOM 782 CA ILE A 49 -2.238 6.859 4.087 1.00 0.00 C ATOM 783 C ILE A 49 -1.965 8.338 4.357 1.00 0.00 C ATOM 784 O ILE A 49 -2.135 9.183 3.477 1.00 0.00 O ATOM 785 CB ILE A 49 -0.912 6.101 3.839 1.00 0.00 C ATOM 786 CG1 ILE A 49 -0.071 6.772 2.754 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.198 4.660 3.447 1.00 0.00 C ATOM 788 CD1 ILE A 49 1.384 6.353 2.785 1.00 0.00 C ATOM 0 H ILE A 49 -3.124 7.442 2.282 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.709 6.425 4.969 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.343 6.123 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.491 6.532 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.134 7.854 2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.258 4.136 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.747 4.167 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.795 4.643 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.927 6.864 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.818 6.617 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.455 5.275 2.638 1.00 0.00 H new ATOM 800 N THR A 50 -1.557 8.642 5.584 1.00 0.00 N ATOM 801 CA THR A 50 -1.275 10.018 5.980 1.00 0.00 C ATOM 802 C THR A 50 -0.422 10.052 7.243 1.00 0.00 C ATOM 803 O THR A 50 -0.253 9.034 7.916 1.00 0.00 O ATOM 804 CB THR A 50 -2.585 10.777 6.221 1.00 0.00 C ATOM 805 OG1 THR A 50 -3.598 9.887 6.656 1.00 0.00 O ATOM 806 CG2 THR A 50 -3.105 11.500 4.993 1.00 0.00 C ATOM 0 H THR A 50 -1.414 7.954 6.323 1.00 0.00 H new ATOM 0 HA THR A 50 -0.723 10.499 5.172 1.00 0.00 H new ATOM 0 HB THR A 50 -2.351 11.522 6.981 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.428 10.385 6.808 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.034 12.014 5.240 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.365 12.228 4.659 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.290 10.779 4.197 1.00 0.00 H new ATOM 814 N SER A 51 0.113 11.226 7.562 1.00 0.00 N ATOM 815 CA SER A 51 0.948 11.382 8.750 1.00 0.00 C ATOM 816 C SER A 51 0.619 12.678 9.488 1.00 0.00 C ATOM 817 O SER A 51 0.610 13.758 8.898 1.00 0.00 O ATOM 818 CB SER A 51 2.439 11.346 8.383 1.00 0.00 C ATOM 819 OG SER A 51 2.656 11.594 7.001 1.00 0.00 O ATOM 0 H SER A 51 -0.015 12.080 7.019 1.00 0.00 H new ATOM 0 HA SER A 51 0.734 10.544 9.414 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.975 12.090 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.853 10.372 8.645 1.00 0.00 H new ATOM 0 HG SER A 51 3.617 11.564 6.810 1.00 0.00 H new ATOM 825 N LYS A 52 0.348 12.558 10.783 1.00 0.00 N ATOM 826 CA LYS A 52 0.015 13.712 11.611 1.00 0.00 C ATOM 827 C LYS A 52 1.156 14.729 11.627 1.00 0.00 C ATOM 828 O LYS A 52 0.970 15.889 11.263 1.00 0.00 O ATOM 829 CB LYS A 52 -0.305 13.259 13.037 1.00 0.00 C ATOM 830 CG LYS A 52 -1.647 13.759 13.547 1.00 0.00 C ATOM 831 CD LYS A 52 -1.745 13.655 15.063 1.00 0.00 C ATOM 832 CE LYS A 52 -2.748 12.592 15.487 1.00 0.00 C ATOM 833 NZ LYS A 52 -4.107 12.855 14.938 1.00 0.00 N ATOM 0 H LYS A 52 0.352 11.669 11.284 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.862 14.195 11.181 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.294 12.170 13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.482 13.609 13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.789 14.796 13.243 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.449 13.180 13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.765 13.417 15.476 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.039 14.620 15.476 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.404 11.614 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.798 12.554 16.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.824 12.509 15.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.232 13.878 14.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.215 12.362 14.029 1.00 0.00 H new ATOM 847 N GLY A 53 2.332 14.285 12.052 1.00 0.00 N ATOM 848 CA GLY A 53 3.485 15.167 12.108 1.00 0.00 C ATOM 849 C GLY A 53 4.764 14.415 12.420 1.00 0.00 C ATOM 850 O GLY A 53 5.656 14.323 11.579 1.00 0.00 O ATOM 0 H GLY A 53 2.510 13.329 12.360 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.592 15.684 11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.320 15.931 12.868 1.00 0.00 H new ATOM 854 N LYS A 54 4.852 13.867 13.629 1.00 0.00 N ATOM 855 CA LYS A 54 6.029 13.109 14.035 1.00 0.00 C ATOM 856 C LYS A 54 5.824 11.618 13.777 1.00 0.00 C ATOM 857 O LYS A 54 6.779 10.841 13.782 1.00 0.00 O ATOM 858 CB LYS A 54 6.338 13.343 15.514 1.00 0.00 C ATOM 859 CG LYS A 54 6.424 14.812 15.894 1.00 0.00 C ATOM 860 CD LYS A 54 5.323 15.202 16.867 1.00 0.00 C ATOM 861 CE LYS A 54 5.706 16.429 17.680 1.00 0.00 C ATOM 862 NZ LYS A 54 5.480 17.691 16.921 1.00 0.00 N ATOM 0 H LYS A 54 4.125 13.934 14.341 1.00 0.00 H new ATOM 0 HA LYS A 54 6.874 13.456 13.441 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.566 12.865 16.118 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.282 12.857 15.760 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.396 15.016 16.342 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.352 15.426 14.996 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.404 15.401 16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.118 14.369 17.539 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.124 16.450 18.601 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.755 16.361 17.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.753 18.504 17.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.055 17.682 16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.474 17.769 16.669 1.00 0.00 H new ATOM 876 N ILE A 55 4.571 11.225 13.549 1.00 0.00 N ATOM 877 CA ILE A 55 4.245 9.832 13.287 1.00 0.00 C ATOM 878 C ILE A 55 3.473 9.695 11.969 1.00 0.00 C ATOM 879 O ILE A 55 3.258 10.682 11.264 1.00 0.00 O ATOM 880 CB ILE A 55 3.442 9.214 14.460 1.00 0.00 C ATOM 881 CG1 ILE A 55 3.524 7.686 14.426 1.00 0.00 C ATOM 882 CG2 ILE A 55 1.991 9.677 14.447 1.00 0.00 C ATOM 883 CD1 ILE A 55 4.149 7.086 15.665 1.00 0.00 C ATOM 0 H ILE A 55 3.769 11.855 13.541 1.00 0.00 H new ATOM 0 HA ILE A 55 5.181 9.281 13.196 1.00 0.00 H new ATOM 0 HB ILE A 55 3.892 9.563 15.390 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.520 7.279 14.302 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.102 7.381 13.554 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.457 9.225 15.283 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.955 10.763 14.538 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.521 9.376 13.511 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.174 6.000 15.571 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.165 7.464 15.779 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.559 7.361 16.540 1.00 0.00 H new ATOM 895 N ALA A 56 3.065 8.473 11.635 1.00 0.00 N ATOM 896 CA ALA A 56 2.331 8.216 10.409 1.00 0.00 C ATOM 897 C ALA A 56 1.405 7.023 10.591 1.00 0.00 C ATOM 898 O ALA A 56 1.615 6.198 11.479 1.00 0.00 O ATOM 899 CB ALA A 56 3.297 7.962 9.259 1.00 0.00 C ATOM 0 H ALA A 56 3.234 7.643 12.204 1.00 0.00 H new ATOM 0 HA ALA A 56 1.729 9.093 10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.733 7.771 8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.932 8.837 9.117 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.918 7.097 9.490 1.00 0.00 H new ATOM 905 N TYR A 57 0.379 6.935 9.761 1.00 0.00 N ATOM 906 CA TYR A 57 -0.568 5.834 9.853 1.00 0.00 C ATOM 907 C TYR A 57 -1.375 5.700 8.571 1.00 0.00 C ATOM 908 O TYR A 57 -1.601 6.680 7.862 1.00 0.00 O ATOM 909 CB TYR A 57 -1.497 6.030 11.052 1.00 0.00 C ATOM 910 CG TYR A 57 -2.404 7.230 10.925 1.00 0.00 C ATOM 911 CD1 TYR A 57 -3.495 7.210 10.068 1.00 0.00 C ATOM 912 CD2 TYR A 57 -2.170 8.383 11.665 1.00 0.00 C ATOM 913 CE1 TYR A 57 -4.327 8.306 9.947 1.00 0.00 C ATOM 914 CE2 TYR A 57 -2.998 9.483 11.550 1.00 0.00 C ATOM 915 CZ TYR A 57 -4.075 9.439 10.691 1.00 0.00 C ATOM 916 OH TYR A 57 -4.902 10.533 10.574 1.00 0.00 O ATOM 0 H TYR A 57 0.180 7.607 9.020 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.004 4.912 9.994 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.107 5.136 11.178 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.895 6.134 11.954 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.697 6.323 9.486 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.328 8.420 12.340 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.170 8.276 9.273 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.802 10.373 12.130 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.586 11.247 11.167 1.00 0.00 H new ATOM 926 N ILE A 58 -1.798 4.477 8.276 1.00 0.00 N ATOM 927 CA ILE A 58 -2.572 4.206 7.073 1.00 0.00 C ATOM 928 C ILE A 58 -4.048 4.002 7.393 1.00 0.00 C ATOM 929 O ILE A 58 -4.398 3.240 8.293 1.00 0.00 O ATOM 930 CB ILE A 58 -2.036 2.965 6.335 1.00 0.00 C ATOM 931 CG1 ILE A 58 -2.301 1.694 7.145 1.00 0.00 C ATOM 932 CG2 ILE A 58 -0.548 3.123 6.060 1.00 0.00 C ATOM 933 CD1 ILE A 58 -3.444 0.865 6.602 1.00 0.00 C ATOM 0 H ILE A 58 -1.617 3.657 8.855 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.469 5.079 6.428 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.561 2.874 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.396 1.086 7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.519 1.968 8.177 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.179 2.240 5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.384 4.005 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.014 3.237 7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.578 -0.021 7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.359 1.457 6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.219 0.561 5.580 1.00 0.00 H new ATOM 945 N LYS A 59 -4.908 4.685 6.648 1.00 0.00 N ATOM 946 CA LYS A 59 -6.345 4.575 6.852 1.00 0.00 C ATOM 947 C LYS A 59 -7.009 3.867 5.680 1.00 0.00 C ATOM 948 O LYS A 59 -6.716 4.151 4.519 1.00 0.00 O ATOM 949 CB LYS A 59 -6.970 5.959 7.044 1.00 0.00 C ATOM 950 CG LYS A 59 -7.664 6.129 8.388 1.00 0.00 C ATOM 951 CD LYS A 59 -9.150 6.415 8.224 1.00 0.00 C ATOM 952 CE LYS A 59 -9.434 7.907 8.261 1.00 0.00 C ATOM 953 NZ LYS A 59 -9.846 8.368 9.616 1.00 0.00 N ATOM 0 H LYS A 59 -4.635 5.320 5.898 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.509 3.984 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.193 6.717 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.691 6.138 6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.531 5.225 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.195 6.945 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.500 6.000 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.708 5.917 9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.543 8.452 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.220 8.143 7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.784 9.405 9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.826 8.071 9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.217 7.950 10.331 1.00 0.00 H new ATOM 967 N LEU A 60 -7.911 2.950 5.998 1.00 0.00 N ATOM 968 CA LEU A 60 -8.631 2.202 4.980 1.00 0.00 C ATOM 969 C LEU A 60 -10.086 2.012 5.387 1.00 0.00 C ATOM 970 O LEU A 60 -10.419 2.021 6.573 1.00 0.00 O ATOM 971 CB LEU A 60 -7.966 0.844 4.732 1.00 0.00 C ATOM 972 CG LEU A 60 -8.116 -0.178 5.866 1.00 0.00 C ATOM 973 CD1 LEU A 60 -8.919 -1.387 5.403 1.00 0.00 C ATOM 974 CD2 LEU A 60 -6.750 -0.609 6.384 1.00 0.00 C ATOM 0 H LEU A 60 -8.162 2.706 6.956 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.601 2.774 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.383 0.415 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.904 1.006 4.550 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.659 0.298 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.012 -2.098 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.911 -1.065 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.409 -1.864 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.878 -1.334 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.180 -1.063 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.213 0.261 6.762 1.00 0.00 H new ATOM 986 N GLU A 61 -10.944 1.835 4.393 1.00 0.00 N ATOM 987 CA GLU A 61 -12.366 1.632 4.629 1.00 0.00 C ATOM 988 C GLU A 61 -13.105 1.477 3.308 1.00 0.00 C ATOM 989 O GLU A 61 -12.493 1.467 2.239 1.00 0.00 O ATOM 990 CB GLU A 61 -12.964 2.791 5.436 1.00 0.00 C ATOM 991 CG GLU A 61 -12.428 4.157 5.046 1.00 0.00 C ATOM 992 CD GLU A 61 -13.141 4.738 3.840 1.00 0.00 C ATOM 993 OE1 GLU A 61 -13.027 4.150 2.744 1.00 0.00 O ATOM 994 OE2 GLU A 61 -13.816 5.778 3.994 1.00 0.00 O ATOM 0 H GLU A 61 -10.678 1.828 3.408 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.483 0.717 5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.047 2.787 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.766 2.623 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.533 4.839 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.362 4.078 4.831 1.00 0.00 H new ATOM 1001 N ASP A 62 -14.419 1.364 3.388 1.00 0.00 N ATOM 1002 CA ASP A 62 -15.252 1.219 2.204 1.00 0.00 C ATOM 1003 C ASP A 62 -15.497 2.575 1.537 1.00 0.00 C ATOM 1004 O ASP A 62 -16.110 3.466 2.127 1.00 0.00 O ATOM 1005 CB ASP A 62 -16.577 0.562 2.599 1.00 0.00 C ATOM 1006 CG ASP A 62 -17.311 -0.049 1.422 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -16.667 -0.285 0.378 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -18.529 -0.298 1.545 1.00 0.00 O ATOM 0 H ASP A 62 -14.937 1.370 4.267 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.737 0.587 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.385 -0.212 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.218 1.306 3.073 1.00 0.00 H new ATOM 1013 N LYS A 63 -15.012 2.726 0.303 1.00 0.00 N ATOM 1014 CA LYS A 63 -15.175 3.975 -0.449 1.00 0.00 C ATOM 1015 C LYS A 63 -16.637 4.255 -0.793 1.00 0.00 C ATOM 1016 O LYS A 63 -16.933 5.206 -1.517 1.00 0.00 O ATOM 1017 CB LYS A 63 -14.361 3.927 -1.741 1.00 0.00 C ATOM 1018 CG LYS A 63 -14.191 5.281 -2.420 1.00 0.00 C ATOM 1019 CD LYS A 63 -13.525 6.303 -1.511 1.00 0.00 C ATOM 1020 CE LYS A 63 -13.523 7.686 -2.148 1.00 0.00 C ATOM 1021 NZ LYS A 63 -13.393 8.773 -1.137 1.00 0.00 N ATOM 0 H LYS A 63 -14.502 1.999 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.815 4.779 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.375 3.516 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.844 3.242 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.595 5.159 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.167 5.655 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.049 6.340 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.501 5.995 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.701 7.755 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.445 7.825 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.599 9.689 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.065 8.608 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.424 8.782 -0.759 1.00 0.00 H new ATOM 1035 N VAL A 64 -17.549 3.428 -0.294 1.00 0.00 N ATOM 1036 CA VAL A 64 -18.960 3.608 -0.585 1.00 0.00 C ATOM 1037 C VAL A 64 -19.569 4.700 0.288 1.00 0.00 C ATOM 1038 O VAL A 64 -20.257 5.589 -0.213 1.00 0.00 O ATOM 1039 CB VAL A 64 -19.736 2.289 -0.397 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -21.222 2.487 -0.669 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -19.158 1.210 -1.302 1.00 0.00 C ATOM 0 H VAL A 64 -17.336 2.633 0.309 1.00 0.00 H new ATOM 0 HA VAL A 64 -19.041 3.915 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 64 -19.629 1.969 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.747 1.542 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -21.622 3.230 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.362 2.832 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -19.713 0.282 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -19.237 1.527 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -18.110 1.048 -1.051 1.00 0.00 H new ATOM 1051 N SER A 65 -19.323 4.633 1.591 1.00 0.00 N ATOM 1052 CA SER A 65 -19.867 5.629 2.513 1.00 0.00 C ATOM 1053 C SER A 65 -19.232 5.531 3.901 1.00 0.00 C ATOM 1054 O SER A 65 -19.146 6.526 4.621 1.00 0.00 O ATOM 1055 CB SER A 65 -21.385 5.472 2.627 1.00 0.00 C ATOM 1056 OG SER A 65 -22.050 6.123 1.555 1.00 0.00 O ATOM 0 H SER A 65 -18.757 3.908 2.032 1.00 0.00 H new ATOM 0 HA SER A 65 -19.630 6.612 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.645 4.413 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.726 5.887 3.576 1.00 0.00 H new ATOM 0 HG SER A 65 -21.460 6.152 0.773 1.00 0.00 H new ATOM 1062 N GLY A 66 -18.793 4.332 4.277 1.00 0.00 N ATOM 1063 CA GLY A 66 -18.182 4.145 5.579 1.00 0.00 C ATOM 1064 C GLY A 66 -19.036 3.302 6.503 1.00 0.00 C ATOM 1065 O GLY A 66 -20.262 3.414 6.503 1.00 0.00 O ATOM 0 H GLY A 66 -18.850 3.490 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.208 3.671 5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.007 5.118 6.038 1.00 0.00 H new ATOM 1069 N GLU A 67 -18.385 2.447 7.285 1.00 0.00 N ATOM 1070 CA GLU A 67 -19.091 1.568 8.216 1.00 0.00 C ATOM 1071 C GLU A 67 -18.111 0.749 9.053 1.00 0.00 C ATOM 1072 O GLU A 67 -17.868 1.059 10.219 1.00 0.00 O ATOM 1073 CB GLU A 67 -20.024 0.627 7.449 1.00 0.00 C ATOM 1074 CG GLU A 67 -21.469 1.099 7.401 1.00 0.00 C ATOM 1075 CD GLU A 67 -22.439 0.083 7.977 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -21.990 -0.812 8.724 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -23.648 0.183 7.680 1.00 0.00 O ATOM 0 H GLU A 67 -17.370 2.343 7.294 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.678 2.194 8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.654 0.515 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.989 -0.360 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.559 2.034 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.743 1.311 6.368 1.00 0.00 H new ATOM 1084 N LEU A 68 -17.552 -0.303 8.452 1.00 0.00 N ATOM 1085 CA LEU A 68 -16.601 -1.167 9.148 1.00 0.00 C ATOM 1086 C LEU A 68 -15.472 -0.341 9.756 1.00 0.00 C ATOM 1087 O LEU A 68 -15.340 -0.259 10.977 1.00 0.00 O ATOM 1088 CB LEU A 68 -16.018 -2.218 8.196 1.00 0.00 C ATOM 1089 CG LEU A 68 -16.989 -2.793 7.162 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -16.229 -3.263 5.929 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -17.798 -3.935 7.763 1.00 0.00 C ATOM 0 H LEU A 68 -17.742 -0.575 7.488 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.138 -1.678 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.175 -1.773 7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -15.622 -3.041 8.792 1.00 0.00 H new ATOM 0 HG LEU A 68 -17.682 -2.007 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -16.932 -3.670 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -15.696 -2.421 5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -15.515 -4.035 6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -18.482 -4.330 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -17.123 -4.726 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -18.368 -3.567 8.616 1.00 0.00 H new ATOM 1103 N PHE A 69 -14.668 0.278 8.896 1.00 0.00 N ATOM 1104 CA PHE A 69 -13.559 1.110 9.345 1.00 0.00 C ATOM 1105 C PHE A 69 -12.402 0.261 9.857 1.00 0.00 C ATOM 1106 O PHE A 69 -12.601 -0.696 10.605 1.00 0.00 O ATOM 1107 CB PHE A 69 -14.022 2.067 10.444 1.00 0.00 C ATOM 1108 CG PHE A 69 -13.168 3.290 10.571 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -13.069 4.192 9.525 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -12.467 3.539 11.738 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -12.285 5.323 9.643 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -11.681 4.665 11.862 1.00 0.00 C ATOM 1113 CZ PHE A 69 -11.590 5.559 10.815 1.00 0.00 C ATOM 0 H PHE A 69 -14.765 0.218 7.882 1.00 0.00 H new ATOM 0 HA PHE A 69 -13.210 1.686 8.488 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -15.049 2.370 10.241 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.028 1.538 11.397 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -13.610 4.009 8.608 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.536 2.843 12.561 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.215 6.021 8.822 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.137 4.847 12.777 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.976 6.443 10.911 1.00 0.00 H new ATOM 1123 N ALA A 70 -11.191 0.625 9.455 1.00 0.00 N ATOM 1124 CA ALA A 70 -9.994 -0.092 9.874 1.00 0.00 C ATOM 1125 C ALA A 70 -8.736 0.648 9.430 1.00 0.00 C ATOM 1126 O ALA A 70 -8.768 1.429 8.480 1.00 0.00 O ATOM 1127 CB ALA A 70 -9.997 -1.508 9.316 1.00 0.00 C ATOM 0 H ALA A 70 -11.012 1.416 8.837 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.995 -0.146 10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.095 -2.028 9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.875 -2.041 9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.023 -1.470 8.227 1.00 0.00 H new ATOM 1133 N GLN A 71 -7.632 0.401 10.124 1.00 0.00 N ATOM 1134 CA GLN A 71 -6.366 1.044 9.791 1.00 0.00 C ATOM 1135 C GLN A 71 -5.201 0.345 10.483 1.00 0.00 C ATOM 1136 O GLN A 71 -5.395 -0.588 11.261 1.00 0.00 O ATOM 1137 CB GLN A 71 -6.388 2.530 10.167 1.00 0.00 C ATOM 1138 CG GLN A 71 -6.944 2.813 11.551 1.00 0.00 C ATOM 1139 CD GLN A 71 -6.164 3.894 12.276 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -4.845 3.735 12.334 1.00 0.00 O flip ATOM 1141 NE2 GLN A 71 -6.737 4.864 12.772 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.587 -0.237 10.918 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.228 0.963 8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.373 2.923 10.108 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.983 3.071 9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.987 3.116 11.466 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.926 1.897 12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.751 4.947 12.704 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.197 5.585 13.251 1.00 0.00 H new ATOM 1150 N ALA A 72 -3.991 0.805 10.189 1.00 0.00 N ATOM 1151 CA ALA A 72 -2.788 0.229 10.775 1.00 0.00 C ATOM 1152 C ALA A 72 -1.755 1.316 11.061 1.00 0.00 C ATOM 1153 O ALA A 72 -0.988 1.699 10.177 1.00 0.00 O ATOM 1154 CB ALA A 72 -2.209 -0.831 9.849 1.00 0.00 C ATOM 0 H ALA A 72 -3.817 1.578 9.546 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.054 -0.243 11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.310 -1.254 10.298 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.944 -1.621 9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.957 -0.378 8.890 1.00 0.00 H new ATOM 1160 N PRO A 73 -1.723 1.832 12.302 1.00 0.00 N ATOM 1161 CA PRO A 73 -0.781 2.886 12.693 1.00 0.00 C ATOM 1162 C PRO A 73 0.658 2.392 12.732 1.00 0.00 C ATOM 1163 O PRO A 73 0.911 1.198 12.894 1.00 0.00 O ATOM 1164 CB PRO A 73 -1.245 3.280 14.098 1.00 0.00 C ATOM 1165 CG PRO A 73 -1.960 2.080 14.614 1.00 0.00 C ATOM 1166 CD PRO A 73 -2.604 1.435 13.417 1.00 0.00 C ATOM 0 HA PRO A 73 -0.781 3.712 11.982 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.400 3.541 14.735 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.902 4.149 14.068 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.268 1.394 15.102 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.708 2.360 15.356 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.655 0.351 13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.624 1.789 13.269 1.00 0.00 H new ATOM 1174 N VAL A 74 1.600 3.318 12.594 1.00 0.00 N ATOM 1175 CA VAL A 74 3.011 2.970 12.629 1.00 0.00 C ATOM 1176 C VAL A 74 3.817 3.990 13.417 1.00 0.00 C ATOM 1177 O VAL A 74 3.351 5.093 13.701 1.00 0.00 O ATOM 1178 CB VAL A 74 3.619 2.852 11.220 1.00 0.00 C ATOM 1179 CG1 VAL A 74 3.011 1.679 10.477 1.00 0.00 C ATOM 1180 CG2 VAL A 74 3.435 4.144 10.440 1.00 0.00 C ATOM 0 H VAL A 74 1.411 4.311 12.457 1.00 0.00 H new ATOM 0 HA VAL A 74 3.064 1.998 13.120 1.00 0.00 H new ATOM 0 HB VAL A 74 4.689 2.674 11.322 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.452 1.610 9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.209 0.758 11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.934 1.824 10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.873 4.035 9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.372 4.364 10.345 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.928 4.961 10.967 1.00 0.00 H new ATOM 1190 N GLU A 75 5.031 3.596 13.756 1.00 0.00 N ATOM 1191 CA GLU A 75 5.948 4.435 14.505 1.00 0.00 C ATOM 1192 C GLU A 75 6.504 5.557 13.630 1.00 0.00 C ATOM 1193 O GLU A 75 7.167 6.468 14.124 1.00 0.00 O ATOM 1194 CB GLU A 75 7.099 3.575 15.036 1.00 0.00 C ATOM 1195 CG GLU A 75 7.820 4.181 16.226 1.00 0.00 C ATOM 1196 CD GLU A 75 7.133 3.867 17.539 1.00 0.00 C ATOM 1197 OE1 GLU A 75 6.820 2.681 17.777 1.00 0.00 O ATOM 1198 OE2 GLU A 75 6.904 4.807 18.328 1.00 0.00 O ATOM 0 H GLU A 75 5.410 2.680 13.518 1.00 0.00 H new ATOM 0 HA GLU A 75 5.407 4.888 15.336 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.709 2.597 15.319 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.818 3.411 14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.843 3.807 16.256 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.879 5.262 16.099 1.00 0.00 H new ATOM 1205 N GLN A 76 6.231 5.489 12.325 1.00 0.00 N ATOM 1206 CA GLN A 76 6.708 6.498 11.394 1.00 0.00 C ATOM 1207 C GLN A 76 8.221 6.465 11.298 1.00 0.00 C ATOM 1208 O GLN A 76 8.906 6.352 12.315 1.00 0.00 O ATOM 1209 CB GLN A 76 6.246 7.883 11.829 1.00 0.00 C ATOM 1210 CG GLN A 76 6.514 8.970 10.804 1.00 0.00 C ATOM 1211 CD GLN A 76 7.904 9.554 10.935 1.00 0.00 C ATOM 1212 OE1 GLN A 76 8.698 9.115 11.766 1.00 0.00 O ATOM 1213 NE2 GLN A 76 8.205 10.551 10.115 1.00 0.00 N ATOM 0 H GLN A 76 5.682 4.744 11.895 1.00 0.00 H new ATOM 0 HA GLN A 76 6.291 6.278 10.411 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.177 7.850 12.038 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.745 8.146 12.762 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.388 8.560 9.802 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.776 9.764 10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.515 10.883 9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.127 10.986 10.158 1.00 0.00 H new ATOM 1222 N TYR A 77 8.731 6.539 10.066 1.00 0.00 N ATOM 1223 CA TYR A 77 10.175 6.502 9.795 1.00 0.00 C ATOM 1224 C TYR A 77 10.608 5.155 9.203 1.00 0.00 C ATOM 1225 O TYR A 77 11.290 5.123 8.180 1.00 0.00 O ATOM 1226 CB TYR A 77 10.987 6.799 11.066 1.00 0.00 C ATOM 1227 CG TYR A 77 12.425 7.198 10.816 1.00 0.00 C ATOM 1228 CD1 TYR A 77 13.303 6.339 10.167 1.00 0.00 C ATOM 1229 CD2 TYR A 77 12.908 8.428 11.249 1.00 0.00 C ATOM 1230 CE1 TYR A 77 14.621 6.695 9.957 1.00 0.00 C ATOM 1231 CE2 TYR A 77 14.225 8.790 11.038 1.00 0.00 C ATOM 1232 CZ TYR A 77 15.076 7.920 10.393 1.00 0.00 C ATOM 1233 OH TYR A 77 16.388 8.278 10.187 1.00 0.00 O ATOM 0 H TYR A 77 8.157 6.626 9.227 1.00 0.00 H new ATOM 0 HA TYR A 77 10.378 7.279 9.058 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.493 7.598 11.619 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.975 5.915 11.704 1.00 0.00 H new ATOM 0 HD1 TYR A 77 12.950 5.379 9.822 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.244 9.111 11.758 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.292 6.016 9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 77 14.585 9.750 11.377 1.00 0.00 H new ATOM 0 HH TYR A 77 16.544 9.173 10.554 1.00 0.00 H new ATOM 1243 N PRO A 78 10.224 4.018 9.823 1.00 0.00 N ATOM 1244 CA PRO A 78 10.598 2.697 9.321 1.00 0.00 C ATOM 1245 C PRO A 78 9.814 2.305 8.072 1.00 0.00 C ATOM 1246 O PRO A 78 9.087 1.312 8.062 1.00 0.00 O ATOM 1247 CB PRO A 78 10.274 1.765 10.487 1.00 0.00 C ATOM 1248 CG PRO A 78 9.185 2.455 11.229 1.00 0.00 C ATOM 1249 CD PRO A 78 9.403 3.929 11.043 1.00 0.00 C ATOM 0 HA PRO A 78 11.643 2.658 9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.953 0.785 10.134 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.146 1.606 11.121 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.208 2.157 10.848 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.209 2.191 12.286 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.458 4.461 10.928 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.913 4.368 11.900 1.00 0.00 H new ATOM 1257 N GLY A 79 9.994 3.085 7.011 1.00 0.00 N ATOM 1258 CA GLY A 79 9.326 2.797 5.758 1.00 0.00 C ATOM 1259 C GLY A 79 9.976 1.637 5.034 1.00 0.00 C ATOM 1260 O GLY A 79 11.178 1.656 4.768 1.00 0.00 O ATOM 0 H GLY A 79 10.591 3.912 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.278 2.567 5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.347 3.682 5.122 1.00 0.00 H new ATOM 1264 N ILE A 80 9.180 0.623 4.725 1.00 0.00 N ATOM 1265 CA ILE A 80 9.668 -0.562 4.037 1.00 0.00 C ATOM 1266 C ILE A 80 8.519 -1.537 3.819 1.00 0.00 C ATOM 1267 O ILE A 80 7.358 -1.187 4.036 1.00 0.00 O ATOM 1268 CB ILE A 80 10.810 -1.246 4.846 1.00 0.00 C ATOM 1269 CG1 ILE A 80 11.670 -2.170 3.967 1.00 0.00 C ATOM 1270 CG2 ILE A 80 10.248 -2.026 6.031 1.00 0.00 C ATOM 1271 CD1 ILE A 80 11.936 -1.647 2.570 1.00 0.00 C ATOM 0 H ILE A 80 8.184 0.599 4.943 1.00 0.00 H new ATOM 0 HA ILE A 80 10.074 -0.261 3.071 1.00 0.00 H new ATOM 0 HB ILE A 80 11.453 -0.448 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.625 -2.338 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.176 -3.139 3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.066 -2.494 6.579 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.710 -1.346 6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.566 -2.796 5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.549 -2.364 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.990 -1.507 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.461 -0.694 2.632 1.00 0.00 H new ATOM 1283 N ALA A 81 8.841 -2.759 3.405 1.00 0.00 N ATOM 1284 CA ALA A 81 7.833 -3.776 3.183 1.00 0.00 C ATOM 1285 C ALA A 81 7.097 -3.539 1.870 1.00 0.00 C ATOM 1286 O ALA A 81 5.928 -3.151 1.850 1.00 0.00 O ATOM 1287 CB ALA A 81 6.878 -3.826 4.365 1.00 0.00 C ATOM 0 H ALA A 81 9.796 -3.064 3.218 1.00 0.00 H new ATOM 0 HA ALA A 81 8.322 -4.747 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.123 -4.593 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.434 -4.063 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.391 -2.858 4.481 1.00 0.00 H new ATOM 1293 N VAL A 82 7.808 -3.786 0.775 1.00 0.00 N ATOM 1294 CA VAL A 82 7.267 -3.619 -0.566 1.00 0.00 C ATOM 1295 C VAL A 82 7.981 -4.544 -1.543 1.00 0.00 C ATOM 1296 O VAL A 82 9.191 -4.439 -1.737 1.00 0.00 O ATOM 1297 CB VAL A 82 7.433 -2.176 -1.070 1.00 0.00 C ATOM 1298 CG1 VAL A 82 6.439 -1.241 -0.399 1.00 0.00 C ATOM 1299 CG2 VAL A 82 8.863 -1.707 -0.851 1.00 0.00 C ATOM 0 H VAL A 82 8.776 -4.108 0.794 1.00 0.00 H new ATOM 0 HA VAL A 82 6.206 -3.861 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 82 7.224 -2.158 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.581 -0.228 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.424 -1.571 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.599 -1.253 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.970 -0.684 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.099 -1.743 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.547 -2.357 -1.397 1.00 0.00 H new ATOM 1309 N GLU A 83 7.231 -5.442 -2.157 1.00 0.00 N ATOM 1310 CA GLU A 83 7.800 -6.375 -3.115 1.00 0.00 C ATOM 1311 C GLU A 83 6.742 -6.806 -4.112 1.00 0.00 C ATOM 1312 O GLU A 83 5.601 -6.352 -4.060 1.00 0.00 O ATOM 1313 CB GLU A 83 8.360 -7.609 -2.401 1.00 0.00 C ATOM 1314 CG GLU A 83 9.553 -8.245 -3.105 1.00 0.00 C ATOM 1315 CD GLU A 83 10.087 -9.458 -2.368 1.00 0.00 C ATOM 1316 OE1 GLU A 83 9.267 -10.272 -1.894 1.00 0.00 O ATOM 1317 OE2 GLU A 83 11.324 -9.596 -2.270 1.00 0.00 O ATOM 0 H GLU A 83 6.227 -5.545 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 83 8.612 -5.872 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.655 -7.328 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.568 -8.352 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.261 -8.537 -4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.348 -7.506 -3.204 1.00 0.00 H new ATOM 1324 N THR A 84 7.134 -7.678 -5.016 1.00 0.00 N ATOM 1325 CA THR A 84 6.230 -8.178 -6.024 1.00 0.00 C ATOM 1326 C THR A 84 6.385 -9.686 -6.167 1.00 0.00 C ATOM 1327 O THR A 84 6.914 -10.361 -5.282 1.00 0.00 O ATOM 1328 CB THR A 84 6.502 -7.486 -7.367 1.00 0.00 C ATOM 1329 OG1 THR A 84 7.672 -8.007 -7.968 1.00 0.00 O ATOM 1330 CG2 THR A 84 6.681 -5.992 -7.252 1.00 0.00 C ATOM 0 H THR A 84 8.080 -8.056 -5.072 1.00 0.00 H new ATOM 0 HA THR A 84 5.207 -7.960 -5.718 1.00 0.00 H new ATOM 0 HB THR A 84 5.617 -7.683 -7.973 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.829 -7.556 -8.824 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.870 -5.571 -8.240 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.777 -5.548 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.526 -5.776 -6.598 1.00 0.00 H new ATOM 1338 N VAL A 85 5.936 -10.190 -7.297 1.00 0.00 N ATOM 1339 CA VAL A 85 6.024 -11.604 -7.615 1.00 0.00 C ATOM 1340 C VAL A 85 7.461 -11.994 -7.932 1.00 0.00 C ATOM 1341 O VAL A 85 7.989 -11.622 -8.978 1.00 0.00 O ATOM 1342 CB VAL A 85 5.153 -11.936 -8.836 1.00 0.00 C ATOM 1343 CG1 VAL A 85 3.705 -12.115 -8.415 1.00 0.00 C ATOM 1344 CG2 VAL A 85 5.289 -10.847 -9.905 1.00 0.00 C ATOM 0 H VAL A 85 5.497 -9.629 -8.027 1.00 0.00 H new ATOM 0 HA VAL A 85 5.673 -12.160 -6.746 1.00 0.00 H new ATOM 0 HB VAL A 85 5.498 -12.874 -9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.098 -12.350 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.634 -12.930 -7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.342 -11.194 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.665 -11.099 -10.763 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.969 -9.890 -9.492 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.330 -10.776 -10.222 1.00 0.00 H new ATOM 1354 N THR A 86 8.096 -12.740 -7.032 1.00 0.00 N ATOM 1355 CA THR A 86 9.478 -13.162 -7.246 1.00 0.00 C ATOM 1356 C THR A 86 9.609 -14.005 -8.516 1.00 0.00 C ATOM 1357 O THR A 86 10.588 -13.878 -9.253 1.00 0.00 O ATOM 1358 CB THR A 86 10.007 -13.950 -6.043 1.00 0.00 C ATOM 1359 OG1 THR A 86 9.220 -13.705 -4.885 1.00 0.00 O ATOM 1360 CG2 THR A 86 11.450 -13.618 -5.711 1.00 0.00 C ATOM 0 H THR A 86 7.682 -13.062 -6.157 1.00 0.00 H new ATOM 0 HA THR A 86 10.077 -12.259 -7.364 1.00 0.00 H new ATOM 0 HB THR A 86 9.947 -15.000 -6.331 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.672 -14.075 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.770 -14.206 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.083 -13.852 -6.567 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.535 -12.557 -5.477 1.00 0.00 H new ATOM 1368 N ASP A 87 8.622 -14.863 -8.772 1.00 0.00 N ATOM 1369 CA ASP A 87 8.634 -15.721 -9.957 1.00 0.00 C ATOM 1370 C ASP A 87 7.833 -15.111 -11.109 1.00 0.00 C ATOM 1371 O ASP A 87 7.631 -15.755 -12.139 1.00 0.00 O ATOM 1372 CB ASP A 87 8.078 -17.105 -9.615 1.00 0.00 C ATOM 1373 CG ASP A 87 9.143 -18.183 -9.662 1.00 0.00 C ATOM 1374 OD1 ASP A 87 10.305 -17.885 -9.315 1.00 0.00 O ATOM 1375 OD2 ASP A 87 8.814 -19.325 -10.045 1.00 0.00 O ATOM 0 H ASP A 87 7.804 -14.983 -8.175 1.00 0.00 H new ATOM 0 HA ASP A 87 9.670 -15.814 -10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.634 -17.080 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.280 -17.356 -10.314 1.00 0.00 H new ATOM 1380 N SER A 88 7.388 -13.870 -10.940 1.00 0.00 N ATOM 1381 CA SER A 88 6.621 -13.188 -11.977 1.00 0.00 C ATOM 1382 C SER A 88 5.280 -13.880 -12.225 1.00 0.00 C ATOM 1383 O SER A 88 5.227 -14.973 -12.790 1.00 0.00 O ATOM 1384 CB SER A 88 7.427 -13.125 -13.277 1.00 0.00 C ATOM 1385 OG SER A 88 6.901 -12.146 -14.159 1.00 0.00 O ATOM 0 H SER A 88 7.545 -13.317 -10.097 1.00 0.00 H new ATOM 0 HA SER A 88 6.419 -12.175 -11.630 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.468 -12.894 -13.052 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.415 -14.100 -13.763 1.00 0.00 H new ATOM 0 HG SER A 88 7.435 -12.125 -14.980 1.00 0.00 H new ATOM 1391 N SER A 89 4.197 -13.229 -11.802 1.00 0.00 N ATOM 1392 CA SER A 89 2.854 -13.763 -11.975 1.00 0.00 C ATOM 1393 C SER A 89 1.967 -12.759 -12.712 1.00 0.00 C ATOM 1394 O SER A 89 1.805 -12.847 -13.929 1.00 0.00 O ATOM 1395 CB SER A 89 2.245 -14.110 -10.614 1.00 0.00 C ATOM 1396 OG SER A 89 0.904 -14.550 -10.750 1.00 0.00 O ATOM 0 H SER A 89 4.229 -12.323 -11.334 1.00 0.00 H new ATOM 0 HA SER A 89 2.917 -14.671 -12.574 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.839 -14.888 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.280 -13.236 -9.964 1.00 0.00 H new ATOM 0 HG SER A 89 0.540 -14.767 -9.866 1.00 0.00 H new ATOM 1402 N ARG A 90 1.394 -11.804 -11.974 1.00 0.00 N ATOM 1403 CA ARG A 90 0.528 -10.796 -12.583 1.00 0.00 C ATOM 1404 C ARG A 90 -0.032 -9.811 -11.551 1.00 0.00 C ATOM 1405 O ARG A 90 -1.173 -9.365 -11.670 1.00 0.00 O ATOM 1406 CB ARG A 90 -0.629 -11.471 -13.322 1.00 0.00 C ATOM 1407 CG ARG A 90 -1.218 -12.657 -12.576 1.00 0.00 C ATOM 1408 CD ARG A 90 -2.668 -12.413 -12.193 1.00 0.00 C ATOM 1409 NE ARG A 90 -3.455 -13.642 -12.232 1.00 0.00 N ATOM 1410 CZ ARG A 90 -3.246 -14.679 -11.425 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -2.293 -14.632 -10.502 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -3.997 -15.765 -11.536 1.00 0.00 N ATOM 0 H ARG A 90 1.513 -11.709 -10.965 1.00 0.00 H new ATOM 0 HA ARG A 90 1.141 -10.231 -13.286 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.415 -10.736 -13.498 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.280 -11.804 -14.299 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.151 -13.549 -13.199 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.631 -12.850 -11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.712 -11.985 -11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.105 -11.680 -12.872 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.208 -13.710 -12.917 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.715 -13.797 -10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.139 -15.431 -9.887 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.734 -15.805 -12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.838 -16.561 -10.918 1.00 0.00 H new ATOM 1426 N TYR A 91 0.764 -9.473 -10.543 1.00 0.00 N ATOM 1427 CA TYR A 91 0.323 -8.541 -9.510 1.00 0.00 C ATOM 1428 C TYR A 91 1.501 -8.117 -8.624 1.00 0.00 C ATOM 1429 O TYR A 91 2.647 -8.466 -8.903 1.00 0.00 O ATOM 1430 CB TYR A 91 -0.801 -9.182 -8.682 1.00 0.00 C ATOM 1431 CG TYR A 91 -0.327 -9.884 -7.431 1.00 0.00 C ATOM 1432 CD1 TYR A 91 0.373 -11.082 -7.496 1.00 0.00 C ATOM 1433 CD2 TYR A 91 -0.580 -9.337 -6.185 1.00 0.00 C ATOM 1434 CE1 TYR A 91 0.805 -11.714 -6.346 1.00 0.00 C ATOM 1435 CE2 TYR A 91 -0.149 -9.957 -5.032 1.00 0.00 C ATOM 1436 CZ TYR A 91 0.544 -11.148 -5.116 1.00 0.00 C ATOM 1437 OH TYR A 91 0.988 -11.772 -3.968 1.00 0.00 O ATOM 0 H TYR A 91 1.712 -9.827 -10.418 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.068 -7.640 -9.983 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.517 -8.409 -8.402 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.334 -9.898 -9.307 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.582 -11.525 -8.458 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.125 -8.407 -6.115 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.345 -12.647 -6.410 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.352 -9.514 -4.068 1.00 0.00 H new ATOM 0 HH TYR A 91 1.017 -12.741 -4.113 1.00 0.00 H new ATOM 1447 N PHE A 92 1.218 -7.363 -7.560 1.00 0.00 N ATOM 1448 CA PHE A 92 2.260 -6.903 -6.653 1.00 0.00 C ATOM 1449 C PHE A 92 1.759 -6.892 -5.216 1.00 0.00 C ATOM 1450 O PHE A 92 0.553 -6.847 -4.968 1.00 0.00 O ATOM 1451 CB PHE A 92 2.733 -5.501 -7.050 1.00 0.00 C ATOM 1452 CG PHE A 92 1.617 -4.582 -7.466 1.00 0.00 C ATOM 1453 CD1 PHE A 92 0.681 -4.143 -6.543 1.00 0.00 C ATOM 1454 CD2 PHE A 92 1.506 -4.155 -8.781 1.00 0.00 C ATOM 1455 CE1 PHE A 92 -0.344 -3.296 -6.924 1.00 0.00 C ATOM 1456 CE2 PHE A 92 0.480 -3.307 -9.166 1.00 0.00 C ATOM 1457 CZ PHE A 92 -0.444 -2.879 -8.235 1.00 0.00 C ATOM 0 H PHE A 92 0.277 -7.061 -7.309 1.00 0.00 H new ATOM 0 HA PHE A 92 3.099 -7.595 -6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.265 -5.055 -6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.446 -5.586 -7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.753 -4.466 -5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.227 -4.487 -9.513 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.067 -2.961 -6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.404 -2.982 -10.193 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.245 -2.218 -8.532 1.00 0.00 H new ATOM 1467 N VAL A 93 2.690 -6.930 -4.270 1.00 0.00 N ATOM 1468 CA VAL A 93 2.344 -6.920 -2.856 1.00 0.00 C ATOM 1469 C VAL A 93 2.944 -5.713 -2.151 1.00 0.00 C ATOM 1470 O VAL A 93 3.969 -5.178 -2.574 1.00 0.00 O ATOM 1471 CB VAL A 93 2.836 -8.185 -2.137 1.00 0.00 C ATOM 1472 CG1 VAL A 93 1.875 -9.344 -2.344 1.00 0.00 C ATOM 1473 CG2 VAL A 93 4.246 -8.544 -2.587 1.00 0.00 C ATOM 0 H VAL A 93 3.692 -6.968 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 93 1.256 -6.878 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 93 2.868 -7.977 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.250 -10.225 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.895 -9.079 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.790 -9.561 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.576 -9.443 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.250 -8.725 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.922 -7.721 -2.355 1.00 0.00 H new ATOM 1483 N ILE A 94 2.301 -5.293 -1.066 1.00 0.00 N ATOM 1484 CA ILE A 94 2.771 -4.155 -0.294 1.00 0.00 C ATOM 1485 C ILE A 94 2.564 -4.414 1.183 1.00 0.00 C ATOM 1486 O ILE A 94 1.622 -5.093 1.578 1.00 0.00 O ATOM 1487 CB ILE A 94 2.049 -2.850 -0.700 1.00 0.00 C ATOM 1488 CG1 ILE A 94 2.548 -1.663 0.139 1.00 0.00 C ATOM 1489 CG2 ILE A 94 0.538 -3.006 -0.585 1.00 0.00 C ATOM 1490 CD1 ILE A 94 1.878 -1.519 1.494 1.00 0.00 C ATOM 0 H ILE A 94 1.452 -5.727 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 94 3.833 -4.029 -0.502 1.00 0.00 H new ATOM 0 HB ILE A 94 2.285 -2.644 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.623 -1.768 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.393 -0.745 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.053 -2.074 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.204 -3.810 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.274 -3.246 0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.293 -0.656 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.806 -1.379 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.054 -2.418 2.084 1.00 0.00 H new ATOM 1502 N ARG A 95 3.449 -3.882 1.999 1.00 0.00 N ATOM 1503 CA ARG A 95 3.350 -4.073 3.431 1.00 0.00 C ATOM 1504 C ARG A 95 3.885 -2.856 4.165 1.00 0.00 C ATOM 1505 O ARG A 95 4.386 -1.917 3.548 1.00 0.00 O ATOM 1506 CB ARG A 95 4.089 -5.350 3.861 1.00 0.00 C ATOM 1507 CG ARG A 95 5.016 -5.939 2.796 1.00 0.00 C ATOM 1508 CD ARG A 95 6.050 -6.878 3.408 1.00 0.00 C ATOM 1509 NE ARG A 95 6.203 -8.111 2.642 1.00 0.00 N ATOM 1510 CZ ARG A 95 7.104 -9.048 2.919 1.00 0.00 C ATOM 1511 NH1 ARG A 95 7.969 -8.877 3.913 1.00 0.00 N ATOM 1512 NH2 ARG A 95 7.146 -10.160 2.196 1.00 0.00 N ATOM 0 H ARG A 95 4.242 -3.316 1.697 1.00 0.00 H new ATOM 0 HA ARG A 95 2.299 -4.192 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.675 -5.132 4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.353 -6.104 4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.425 -6.480 2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.524 -5.132 2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.011 -6.368 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.756 -7.122 4.429 1.00 0.00 H new ATOM 0 HE ARG A 95 5.582 -8.262 1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.944 -8.022 4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.658 -9.600 4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.487 -10.295 1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.837 -10.880 2.407 1.00 0.00 H new ATOM 1526 N ILE A 96 3.759 -2.868 5.480 1.00 0.00 N ATOM 1527 CA ILE A 96 4.212 -1.756 6.297 1.00 0.00 C ATOM 1528 C ILE A 96 5.022 -2.259 7.489 1.00 0.00 C ATOM 1529 O ILE A 96 4.764 -3.342 8.006 1.00 0.00 O ATOM 1530 CB ILE A 96 3.000 -0.932 6.785 1.00 0.00 C ATOM 1531 CG1 ILE A 96 2.186 -0.426 5.590 1.00 0.00 C ATOM 1532 CG2 ILE A 96 3.433 0.234 7.656 1.00 0.00 C ATOM 1533 CD1 ILE A 96 0.783 0.018 5.955 1.00 0.00 C ATOM 0 H ILE A 96 3.346 -3.638 6.006 1.00 0.00 H new ATOM 0 HA ILE A 96 4.855 -1.118 5.690 1.00 0.00 H new ATOM 0 HB ILE A 96 2.375 -1.588 7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.714 0.409 5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.125 -1.216 4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.554 0.791 7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.967 -0.142 8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.089 0.891 7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.266 0.363 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.237 -0.820 6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.835 0.830 6.680 1.00 0.00 H new ATOM 1545 N GLN A 97 5.997 -1.462 7.923 1.00 0.00 N ATOM 1546 CA GLN A 97 6.835 -1.836 9.062 1.00 0.00 C ATOM 1547 C GLN A 97 6.993 -0.681 10.041 1.00 0.00 C ATOM 1548 O GLN A 97 6.987 0.484 9.645 1.00 0.00 O ATOM 1549 CB GLN A 97 8.214 -2.294 8.587 1.00 0.00 C ATOM 1550 CG GLN A 97 9.084 -2.860 9.699 1.00 0.00 C ATOM 1551 CD GLN A 97 10.565 -2.623 9.470 1.00 0.00 C ATOM 1552 OE1 GLN A 97 10.974 -1.556 9.007 1.00 0.00 O ATOM 1553 NE2 GLN A 97 11.376 -3.621 9.794 1.00 0.00 N ATOM 0 H GLN A 97 6.226 -0.559 7.507 1.00 0.00 H new ATOM 0 HA GLN A 97 6.337 -2.658 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.089 -3.052 7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.729 -1.451 8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.792 -2.409 10.647 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.902 -3.931 9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.993 -4.486 10.174 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.383 -3.523 9.663 1.00 0.00 H new ATOM 1562 N ASP A 98 7.144 -1.009 11.326 1.00 0.00 N ATOM 1563 CA ASP A 98 7.310 0.021 12.343 1.00 0.00 C ATOM 1564 C ASP A 98 7.781 -0.534 13.681 1.00 0.00 C ATOM 1565 O ASP A 98 7.547 -1.698 14.010 1.00 0.00 O ATOM 1566 CB ASP A 98 6.012 0.789 12.534 1.00 0.00 C ATOM 1567 CG ASP A 98 4.816 -0.116 12.752 1.00 0.00 C ATOM 1568 OD1 ASP A 98 4.547 -0.967 11.879 1.00 0.00 O ATOM 1569 OD2 ASP A 98 4.145 0.029 13.796 1.00 0.00 O ATOM 0 H ASP A 98 7.154 -1.966 11.679 1.00 0.00 H new ATOM 0 HA ASP A 98 8.090 0.691 11.981 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.115 1.459 13.388 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.833 1.414 11.659 1.00 0.00 H new ATOM 1574 N GLY A 99 8.455 0.325 14.450 1.00 0.00 N ATOM 1575 CA GLY A 99 8.966 -0.069 15.752 1.00 0.00 C ATOM 1576 C GLY A 99 10.122 -1.045 15.657 1.00 0.00 C ATOM 1577 O GLY A 99 10.880 -1.206 16.613 1.00 0.00 O ATOM 0 H GLY A 99 8.655 1.291 14.190 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.290 0.819 16.294 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.161 -0.521 16.332 1.00 0.00 H new ATOM 1581 N THR A 100 10.235 -1.721 14.512 1.00 0.00 N ATOM 1582 CA THR A 100 11.275 -2.715 14.290 1.00 0.00 C ATOM 1583 C THR A 100 10.848 -4.046 14.894 1.00 0.00 C ATOM 1584 O THR A 100 11.644 -4.749 15.514 1.00 0.00 O ATOM 1585 CB THR A 100 12.618 -2.264 14.874 1.00 0.00 C ATOM 1586 OG1 THR A 100 12.859 -0.896 14.580 1.00 0.00 O ATOM 1587 CG2 THR A 100 13.787 -3.059 14.337 1.00 0.00 C ATOM 0 H THR A 100 9.608 -1.592 13.718 1.00 0.00 H new ATOM 0 HA THR A 100 11.412 -2.834 13.215 1.00 0.00 H new ATOM 0 HB THR A 100 12.542 -2.428 15.949 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.720 -0.626 14.962 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.711 -2.695 14.786 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.654 -4.113 14.583 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.839 -2.943 13.254 1.00 0.00 H new ATOM 1595 N GLY A 101 9.571 -4.378 14.703 1.00 0.00 N ATOM 1596 CA GLY A 101 9.034 -5.619 15.229 1.00 0.00 C ATOM 1597 C GLY A 101 7.591 -5.874 14.813 1.00 0.00 C ATOM 1598 O GLY A 101 7.142 -7.020 14.802 1.00 0.00 O ATOM 0 H GLY A 101 8.899 -3.806 14.191 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.655 -6.448 14.890 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.093 -5.600 16.317 1.00 0.00 H new ATOM 1602 N ARG A 102 6.862 -4.814 14.464 1.00 0.00 N ATOM 1603 CA ARG A 102 5.468 -4.957 14.042 1.00 0.00 C ATOM 1604 C ARG A 102 5.291 -4.474 12.607 1.00 0.00 C ATOM 1605 O ARG A 102 5.537 -3.308 12.295 1.00 0.00 O ATOM 1606 CB ARG A 102 4.519 -4.201 14.989 1.00 0.00 C ATOM 1607 CG ARG A 102 3.509 -5.094 15.706 1.00 0.00 C ATOM 1608 CD ARG A 102 2.793 -6.033 14.745 1.00 0.00 C ATOM 1609 NE ARG A 102 2.466 -7.316 15.367 1.00 0.00 N ATOM 1610 CZ ARG A 102 3.374 -8.163 15.854 1.00 0.00 C ATOM 1611 NH1 ARG A 102 4.663 -7.855 15.843 1.00 0.00 N ATOM 1612 NH2 ARG A 102 2.991 -9.324 16.361 1.00 0.00 N ATOM 0 H ARG A 102 7.209 -3.855 14.465 1.00 0.00 H new ATOM 0 HA ARG A 102 5.211 -6.015 14.086 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.113 -3.672 15.734 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.979 -3.446 14.418 1.00 0.00 H new ATOM 0 HG2 ARG A 102 4.021 -5.679 16.470 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.775 -4.472 16.219 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.878 -5.559 14.391 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.422 -6.204 13.871 1.00 0.00 H new ATOM 0 HE ARG A 102 1.483 -7.579 15.432 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.971 -6.961 15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.347 -8.511 16.218 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.002 -9.571 16.379 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.685 -9.972 16.733 1.00 0.00 H new ATOM 1626 N SER A 103 4.877 -5.388 11.735 1.00 0.00 N ATOM 1627 CA SER A 103 4.684 -5.077 10.323 1.00 0.00 C ATOM 1628 C SER A 103 3.557 -5.925 9.724 1.00 0.00 C ATOM 1629 O SER A 103 3.419 -7.103 10.050 1.00 0.00 O ATOM 1630 CB SER A 103 5.996 -5.319 9.568 1.00 0.00 C ATOM 1631 OG SER A 103 6.075 -6.648 9.082 1.00 0.00 O ATOM 0 H SER A 103 4.668 -6.355 11.983 1.00 0.00 H new ATOM 0 HA SER A 103 4.398 -4.030 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.072 -4.620 8.735 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.840 -5.121 10.229 1.00 0.00 H new ATOM 0 HG SER A 103 6.921 -6.772 8.604 1.00 0.00 H new ATOM 1637 N ALA A 104 2.751 -5.318 8.850 1.00 0.00 N ATOM 1638 CA ALA A 104 1.639 -6.025 8.216 1.00 0.00 C ATOM 1639 C ALA A 104 1.890 -6.241 6.727 1.00 0.00 C ATOM 1640 O ALA A 104 2.370 -5.345 6.032 1.00 0.00 O ATOM 1641 CB ALA A 104 0.337 -5.261 8.427 1.00 0.00 C ATOM 0 H ALA A 104 2.848 -4.343 8.567 1.00 0.00 H new ATOM 0 HA ALA A 104 1.557 -7.005 8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.482 -5.799 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.138 -5.170 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.423 -4.267 7.988 1.00 0.00 H new ATOM 1647 N PHE A 105 1.572 -7.441 6.239 1.00 0.00 N ATOM 1648 CA PHE A 105 1.778 -7.766 4.833 1.00 0.00 C ATOM 1649 C PHE A 105 0.460 -7.992 4.096 1.00 0.00 C ATOM 1650 O PHE A 105 -0.370 -8.799 4.519 1.00 0.00 O ATOM 1651 CB PHE A 105 2.682 -8.997 4.697 1.00 0.00 C ATOM 1652 CG PHE A 105 3.090 -9.291 3.282 1.00 0.00 C ATOM 1653 CD1 PHE A 105 3.025 -8.307 2.311 1.00 0.00 C ATOM 1654 CD2 PHE A 105 3.536 -10.550 2.922 1.00 0.00 C ATOM 1655 CE1 PHE A 105 3.394 -8.572 1.014 1.00 0.00 C ATOM 1656 CE2 PHE A 105 3.908 -10.822 1.621 1.00 0.00 C ATOM 1657 CZ PHE A 105 3.837 -9.831 0.665 1.00 0.00 C ATOM 0 H PHE A 105 1.173 -8.197 6.795 1.00 0.00 H new ATOM 0 HA PHE A 105 2.267 -6.909 4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.577 -8.848 5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.163 -9.865 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.680 -7.318 2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.594 -11.329 3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 105 3.337 -7.794 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.254 -11.809 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.127 -10.040 -0.354 1.00 0.00 H new ATOM 1667 N ILE A 106 0.279 -7.275 2.982 1.00 0.00 N ATOM 1668 CA ILE A 106 -0.928 -7.393 2.180 1.00 0.00 C ATOM 1669 C ILE A 106 -0.590 -7.347 0.694 1.00 0.00 C ATOM 1670 O ILE A 106 0.472 -6.858 0.309 1.00 0.00 O ATOM 1671 CB ILE A 106 -1.927 -6.266 2.510 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -1.230 -4.904 2.448 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -2.535 -6.492 3.887 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -2.051 -3.823 1.777 1.00 0.00 C ATOM 0 H ILE A 106 0.959 -6.607 2.620 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.388 -8.352 2.418 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.728 -6.277 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.987 -4.585 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.286 -5.014 1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.239 -5.690 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.058 -7.448 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.744 -6.499 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.489 -2.889 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.272 -4.118 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.984 -3.683 2.323 1.00 0.00 H new ATOM 1686 N GLY A 107 -1.494 -7.853 -0.138 1.00 0.00 N ATOM 1687 CA GLY A 107 -1.262 -7.853 -1.570 1.00 0.00 C ATOM 1688 C GLY A 107 -2.227 -6.943 -2.303 1.00 0.00 C ATOM 1689 O GLY A 107 -3.366 -6.780 -1.877 1.00 0.00 O ATOM 0 H GLY A 107 -2.382 -8.262 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.239 -7.534 -1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.360 -8.869 -1.953 1.00 0.00 H new ATOM 1693 N ILE A 108 -1.779 -6.343 -3.402 1.00 0.00 N ATOM 1694 CA ILE A 108 -2.635 -5.442 -4.173 1.00 0.00 C ATOM 1695 C ILE A 108 -2.633 -5.796 -5.656 1.00 0.00 C ATOM 1696 O ILE A 108 -1.579 -5.834 -6.295 1.00 0.00 O ATOM 1697 CB ILE A 108 -2.197 -3.972 -4.028 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -1.641 -3.698 -2.633 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -3.359 -3.040 -4.329 1.00 0.00 C ATOM 1700 CD1 ILE A 108 -2.678 -3.753 -1.531 1.00 0.00 C ATOM 0 H ILE A 108 -0.838 -6.461 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.639 -5.564 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.402 -3.785 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.858 -4.425 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.173 -2.714 -2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -3.033 -2.005 -4.222 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.705 -3.208 -5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.174 -3.237 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.202 -3.547 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.450 -3.007 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.130 -4.744 -1.506 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.821 -6.044 -6.206 1.00 0.00 N ATOM 1713 CA GLY A 109 -3.928 -6.380 -7.614 1.00 0.00 C ATOM 1714 C GLY A 109 -5.364 -6.567 -8.069 1.00 0.00 C ATOM 1715 O GLY A 109 -6.031 -7.518 -7.661 1.00 0.00 O ATOM 0 H GLY A 109 -4.707 -6.018 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.464 -5.592 -8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.369 -7.295 -7.807 1.00 0.00 H new ATOM 1719 N PHE A 110 -5.844 -5.669 -8.926 1.00 0.00 N ATOM 1720 CA PHE A 110 -7.208 -5.758 -9.438 1.00 0.00 C ATOM 1721 C PHE A 110 -7.296 -6.801 -10.544 1.00 0.00 C ATOM 1722 O PHE A 110 -6.313 -7.471 -10.861 1.00 0.00 O ATOM 1723 CB PHE A 110 -7.674 -4.399 -9.974 1.00 0.00 C ATOM 1724 CG PHE A 110 -9.145 -4.147 -9.789 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -9.738 -4.316 -8.551 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -9.937 -3.744 -10.853 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -11.088 -4.090 -8.370 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -11.289 -3.517 -10.680 1.00 0.00 C ATOM 1729 CZ PHE A 110 -11.867 -3.690 -9.437 1.00 0.00 C ATOM 0 H PHE A 110 -5.311 -4.874 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 110 -7.858 -6.056 -8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -7.114 -3.610 -9.473 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -7.434 -4.336 -11.035 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -9.135 -4.630 -7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.493 -3.606 -11.828 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -11.534 -4.226 -7.396 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -11.895 -3.204 -11.518 1.00 0.00 H new ATOM 0 HZ PHE A 110 -12.924 -3.513 -9.301 1.00 0.00 H new ATOM 1739 N THR A 111 -8.477 -6.924 -11.138 1.00 0.00 N ATOM 1740 CA THR A 111 -8.695 -7.873 -12.223 1.00 0.00 C ATOM 1741 C THR A 111 -7.867 -7.505 -13.458 1.00 0.00 C ATOM 1742 O THR A 111 -7.874 -8.228 -14.455 1.00 0.00 O ATOM 1743 CB THR A 111 -10.183 -7.929 -12.584 1.00 0.00 C ATOM 1744 OG1 THR A 111 -10.784 -6.651 -12.443 1.00 0.00 O ATOM 1745 CG2 THR A 111 -10.970 -8.908 -11.734 1.00 0.00 C ATOM 0 H THR A 111 -9.300 -6.377 -10.886 1.00 0.00 H new ATOM 0 HA THR A 111 -8.372 -8.856 -11.881 1.00 0.00 H new ATOM 0 HB THR A 111 -10.216 -8.266 -13.620 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.502 -6.074 -13.183 1.00 0.00 H new ATOM 0 HG21 THR A 111 -12.016 -8.898 -12.042 1.00 0.00 H new ATOM 0 HG22 THR A 111 -10.563 -9.911 -11.863 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.898 -8.619 -10.685 1.00 0.00 H new ATOM 1753 N ASP A 112 -7.147 -6.383 -13.387 1.00 0.00 N ATOM 1754 CA ASP A 112 -6.315 -5.935 -14.497 1.00 0.00 C ATOM 1755 C ASP A 112 -5.140 -5.104 -13.986 1.00 0.00 C ATOM 1756 O ASP A 112 -5.096 -4.732 -12.812 1.00 0.00 O ATOM 1757 CB ASP A 112 -7.144 -5.111 -15.484 1.00 0.00 C ATOM 1758 CG ASP A 112 -8.462 -5.772 -15.829 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -8.496 -6.567 -16.791 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -9.465 -5.494 -15.136 1.00 0.00 O ATOM 0 H ASP A 112 -7.126 -5.771 -12.571 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.925 -6.815 -15.009 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.336 -4.126 -15.058 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -6.569 -4.957 -16.397 1.00 0.00 H new ATOM 1765 N ARG A 113 -4.193 -4.810 -14.871 1.00 0.00 N ATOM 1766 CA ARG A 113 -3.025 -4.016 -14.505 1.00 0.00 C ATOM 1767 C ARG A 113 -3.287 -2.524 -14.706 1.00 0.00 C ATOM 1768 O ARG A 113 -2.367 -1.709 -14.637 1.00 0.00 O ATOM 1769 CB ARG A 113 -1.808 -4.441 -15.332 1.00 0.00 C ATOM 1770 CG ARG A 113 -0.481 -4.040 -14.708 1.00 0.00 C ATOM 1771 CD ARG A 113 0.671 -4.200 -15.686 1.00 0.00 C ATOM 1772 NE ARG A 113 1.952 -4.368 -15.002 1.00 0.00 N ATOM 1773 CZ ARG A 113 2.405 -5.536 -14.552 1.00 0.00 C ATOM 1774 NH1 ARG A 113 1.685 -6.641 -14.704 1.00 0.00 N ATOM 1775 NH2 ARG A 113 3.584 -5.602 -13.947 1.00 0.00 N ATOM 0 H ARG A 113 -4.211 -5.109 -15.846 1.00 0.00 H new ATOM 0 HA ARG A 113 -2.822 -4.193 -13.449 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.827 -5.523 -15.462 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.882 -3.999 -16.326 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.534 -3.004 -14.375 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.295 -4.650 -13.824 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.486 -5.063 -16.326 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.719 -3.326 -16.336 1.00 0.00 H new ATOM 0 HE ARG A 113 2.533 -3.541 -14.861 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.778 -6.599 -15.168 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.039 -7.532 -14.356 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.143 -4.758 -13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.931 -6.497 -13.602 1.00 0.00 H new ATOM 1789 N GLY A 114 -4.547 -2.170 -14.950 1.00 0.00 N ATOM 1790 CA GLY A 114 -4.899 -0.776 -15.151 1.00 0.00 C ATOM 1791 C GLY A 114 -4.804 0.025 -13.871 1.00 0.00 C ATOM 1792 O GLY A 114 -3.925 0.877 -13.727 1.00 0.00 O ATOM 0 H GLY A 114 -5.328 -2.823 -15.012 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -4.239 -0.340 -15.901 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -5.914 -0.712 -15.544 1.00 0.00 H new ATOM 1796 N ASP A 115 -5.705 -0.253 -12.935 1.00 0.00 N ATOM 1797 CA ASP A 115 -5.711 0.445 -11.656 1.00 0.00 C ATOM 1798 C ASP A 115 -4.387 0.241 -10.929 1.00 0.00 C ATOM 1799 O ASP A 115 -3.912 1.131 -10.228 1.00 0.00 O ATOM 1800 CB ASP A 115 -6.871 -0.042 -10.782 1.00 0.00 C ATOM 1801 CG ASP A 115 -8.122 0.798 -10.958 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -8.055 2.022 -10.715 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -9.170 0.233 -11.337 1.00 0.00 O ATOM 0 H ASP A 115 -6.438 -0.955 -13.038 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.843 1.509 -11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -7.096 -1.080 -11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.567 -0.021 -9.735 1.00 0.00 H new ATOM 1808 N ALA A 116 -3.794 -0.937 -11.110 1.00 0.00 N ATOM 1809 CA ALA A 116 -2.523 -1.267 -10.477 1.00 0.00 C ATOM 1810 C ALA A 116 -1.463 -0.208 -10.766 1.00 0.00 C ATOM 1811 O ALA A 116 -0.935 0.422 -9.850 1.00 0.00 O ATOM 1812 CB ALA A 116 -2.051 -2.635 -10.947 1.00 0.00 C ATOM 0 H ALA A 116 -4.177 -1.681 -11.693 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.677 -1.292 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.101 -2.876 -10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.792 -3.388 -10.679 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.921 -2.623 -12.029 1.00 0.00 H new ATOM 1818 N PHE A 117 -1.152 -0.016 -12.045 1.00 0.00 N ATOM 1819 CA PHE A 117 -0.150 0.968 -12.445 1.00 0.00 C ATOM 1820 C PHE A 117 -0.456 2.332 -11.832 1.00 0.00 C ATOM 1821 O PHE A 117 0.326 2.851 -11.035 1.00 0.00 O ATOM 1822 CB PHE A 117 -0.087 1.071 -13.973 1.00 0.00 C ATOM 1823 CG PHE A 117 0.759 2.210 -14.470 1.00 0.00 C ATOM 1824 CD1 PHE A 117 2.123 2.236 -14.233 1.00 0.00 C ATOM 1825 CD2 PHE A 117 0.184 3.255 -15.174 1.00 0.00 C ATOM 1826 CE1 PHE A 117 2.900 3.284 -14.690 1.00 0.00 C ATOM 1827 CE2 PHE A 117 0.954 4.305 -15.631 1.00 0.00 C ATOM 1828 CZ PHE A 117 2.314 4.320 -15.390 1.00 0.00 C ATOM 0 H PHE A 117 -1.577 -0.526 -12.819 1.00 0.00 H new ATOM 0 HA PHE A 117 0.821 0.638 -12.076 1.00 0.00 H new ATOM 0 HB2 PHE A 117 0.305 0.137 -14.375 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.099 1.185 -14.362 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.585 1.428 -13.685 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.879 3.248 -15.367 1.00 0.00 H new ATOM 0 HE1 PHE A 117 3.963 3.292 -14.500 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.493 5.115 -16.177 1.00 0.00 H new ATOM 0 HZ PHE A 117 2.918 5.141 -15.748 1.00 0.00 H new ATOM 1838 N ASP A 118 -1.595 2.906 -12.202 1.00 0.00 N ATOM 1839 CA ASP A 118 -1.993 4.209 -11.680 1.00 0.00 C ATOM 1840 C ASP A 118 -1.925 4.236 -10.148 1.00 0.00 C ATOM 1841 O ASP A 118 -1.394 5.180 -9.564 1.00 0.00 O ATOM 1842 CB ASP A 118 -3.401 4.567 -12.162 1.00 0.00 C ATOM 1843 CG ASP A 118 -3.438 4.884 -13.647 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -3.164 3.972 -14.456 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -3.739 6.044 -14.000 1.00 0.00 O ATOM 0 H ASP A 118 -2.257 2.492 -12.859 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.293 4.954 -12.059 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.076 3.737 -11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.768 5.426 -11.600 1.00 0.00 H new ATOM 1850 N PHE A 119 -2.459 3.201 -9.499 1.00 0.00 N ATOM 1851 CA PHE A 119 -2.440 3.131 -8.039 1.00 0.00 C ATOM 1852 C PHE A 119 -1.003 3.144 -7.520 1.00 0.00 C ATOM 1853 O PHE A 119 -0.650 3.941 -6.652 1.00 0.00 O ATOM 1854 CB PHE A 119 -3.189 1.873 -7.549 1.00 0.00 C ATOM 1855 CG PHE A 119 -2.514 1.134 -6.420 1.00 0.00 C ATOM 1856 CD1 PHE A 119 -1.475 0.254 -6.675 1.00 0.00 C ATOM 1857 CD2 PHE A 119 -2.917 1.322 -5.107 1.00 0.00 C ATOM 1858 CE1 PHE A 119 -0.848 -0.419 -5.646 1.00 0.00 C ATOM 1859 CE2 PHE A 119 -2.294 0.650 -4.073 1.00 0.00 C ATOM 1860 CZ PHE A 119 -1.257 -0.221 -4.343 1.00 0.00 C ATOM 0 H PHE A 119 -2.906 2.407 -9.957 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.952 4.008 -7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.189 2.165 -7.227 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -3.312 1.190 -8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -1.151 0.092 -7.693 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.728 2.002 -4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.038 -1.100 -5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.618 0.806 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.767 -0.746 -3.536 1.00 0.00 H new ATOM 1870 N ASN A 120 -0.178 2.250 -8.046 1.00 0.00 N ATOM 1871 CA ASN A 120 1.213 2.156 -7.618 1.00 0.00 C ATOM 1872 C ASN A 120 1.953 3.475 -7.821 1.00 0.00 C ATOM 1873 O ASN A 120 2.457 4.064 -6.865 1.00 0.00 O ATOM 1874 CB ASN A 120 1.929 1.033 -8.370 1.00 0.00 C ATOM 1875 CG ASN A 120 2.734 0.126 -7.451 1.00 0.00 C ATOM 1876 OD1 ASN A 120 3.243 0.673 -6.348 1.00 0.00 O flip ATOM 1877 ND2 ASN A 120 2.900 -1.060 -7.732 1.00 0.00 N flip ATOM 0 H ASN A 120 -0.445 1.581 -8.768 1.00 0.00 H new ATOM 0 HA ASN A 120 1.214 1.930 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.193 0.436 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 120 2.594 1.468 -9.116 1.00 0.00 H new ATOM 0 HD21 ASN A 120 2.495 -1.443 -8.586 1.00 0.00 H new ATOM 0 HD22 ASN A 120 3.443 -1.660 -7.111 1.00 0.00 H new ATOM 1884 N VAL A 121 2.027 3.930 -9.069 1.00 0.00 N ATOM 1885 CA VAL A 121 2.720 5.175 -9.390 1.00 0.00 C ATOM 1886 C VAL A 121 2.309 6.304 -8.449 1.00 0.00 C ATOM 1887 O VAL A 121 3.116 7.175 -8.118 1.00 0.00 O ATOM 1888 CB VAL A 121 2.464 5.611 -10.849 1.00 0.00 C ATOM 1889 CG1 VAL A 121 2.941 4.541 -11.822 1.00 0.00 C ATOM 1890 CG2 VAL A 121 0.990 5.923 -11.072 1.00 0.00 C ATOM 0 H VAL A 121 1.616 3.456 -9.874 1.00 0.00 H new ATOM 0 HA VAL A 121 3.784 4.976 -9.263 1.00 0.00 H new ATOM 0 HB VAL A 121 3.034 6.521 -11.035 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.751 4.868 -12.844 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.010 4.376 -11.686 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.404 3.612 -11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.835 6.228 -12.107 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.394 5.035 -10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.684 6.730 -10.406 1.00 0.00 H new ATOM 1900 N SER A 122 1.053 6.282 -8.016 1.00 0.00 N ATOM 1901 CA SER A 122 0.541 7.303 -7.111 1.00 0.00 C ATOM 1902 C SER A 122 1.253 7.243 -5.764 1.00 0.00 C ATOM 1903 O SER A 122 1.780 8.246 -5.284 1.00 0.00 O ATOM 1904 CB SER A 122 -0.967 7.136 -6.913 1.00 0.00 C ATOM 1905 OG SER A 122 -1.689 8.093 -7.669 1.00 0.00 O ATOM 0 H SER A 122 0.372 5.569 -8.277 1.00 0.00 H new ATOM 0 HA SER A 122 0.733 8.277 -7.561 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.267 6.131 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.212 7.242 -5.856 1.00 0.00 H new ATOM 0 HG SER A 122 -2.650 7.965 -7.527 1.00 0.00 H new ATOM 1911 N LEU A 123 1.268 6.058 -5.158 1.00 0.00 N ATOM 1912 CA LEU A 123 1.917 5.871 -3.866 1.00 0.00 C ATOM 1913 C LEU A 123 3.347 6.401 -3.894 1.00 0.00 C ATOM 1914 O LEU A 123 3.831 6.953 -2.907 1.00 0.00 O ATOM 1915 CB LEU A 123 1.910 4.393 -3.470 1.00 0.00 C ATOM 1916 CG LEU A 123 2.414 4.100 -2.054 1.00 0.00 C ATOM 1917 CD1 LEU A 123 1.420 3.233 -1.294 1.00 0.00 C ATOM 1918 CD2 LEU A 123 3.779 3.429 -2.103 1.00 0.00 C ATOM 0 H LEU A 123 0.839 5.216 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 123 1.355 6.436 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.893 4.012 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 123 2.524 3.839 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 123 2.512 5.048 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.800 3.038 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.463 3.751 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.284 2.288 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.122 3.228 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.704 2.491 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.490 4.087 -2.603 1.00 0.00 H new ATOM 1930 N GLN A 124 4.015 6.243 -5.031 1.00 0.00 N ATOM 1931 CA GLN A 124 5.385 6.719 -5.177 1.00 0.00 C ATOM 1932 C GLN A 124 5.412 8.232 -5.340 1.00 0.00 C ATOM 1933 O GLN A 124 6.153 8.931 -4.648 1.00 0.00 O ATOM 1934 CB GLN A 124 6.061 6.061 -6.383 1.00 0.00 C ATOM 1935 CG GLN A 124 7.582 6.144 -6.348 1.00 0.00 C ATOM 1936 CD GLN A 124 8.156 7.007 -7.459 1.00 0.00 C ATOM 1937 OE1 GLN A 124 7.666 8.237 -7.577 1.00 0.00 O flip ATOM 1938 NE2 GLN A 124 9.037 6.575 -8.202 1.00 0.00 N flip ATOM 0 H GLN A 124 3.632 5.791 -5.861 1.00 0.00 H new ATOM 0 HA GLN A 124 5.931 6.449 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.763 5.013 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 124 5.700 6.536 -7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.896 6.546 -5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.997 5.139 -6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.387 5.625 -8.079 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.417 7.167 -8.940 1.00 0.00 H new ATOM 1947 N ASP A 125 4.605 8.730 -6.272 1.00 0.00 N ATOM 1948 CA ASP A 125 4.535 10.162 -6.549 1.00 0.00 C ATOM 1949 C ASP A 125 4.431 10.979 -5.262 1.00 0.00 C ATOM 1950 O ASP A 125 5.159 11.954 -5.076 1.00 0.00 O ATOM 1951 CB ASP A 125 3.343 10.461 -7.459 1.00 0.00 C ATOM 1952 CG ASP A 125 3.759 10.702 -8.897 1.00 0.00 C ATOM 1953 OD1 ASP A 125 4.023 9.712 -9.612 1.00 0.00 O ATOM 1954 OD2 ASP A 125 3.821 11.879 -9.308 1.00 0.00 O ATOM 0 H ASP A 125 3.988 8.161 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 125 5.457 10.451 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 125 2.643 9.627 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 125 2.815 11.338 -7.085 1.00 0.00 H new ATOM 1959 N HIS A 126 3.520 10.580 -4.381 1.00 0.00 N ATOM 1960 CA HIS A 126 3.322 11.279 -3.118 1.00 0.00 C ATOM 1961 C HIS A 126 4.476 11.015 -2.156 1.00 0.00 C ATOM 1962 O HIS A 126 5.060 11.948 -1.604 1.00 0.00 O ATOM 1963 CB HIS A 126 2.001 10.852 -2.479 1.00 0.00 C ATOM 1964 CG HIS A 126 0.845 11.704 -2.895 1.00 0.00 C ATOM 1965 ND1 HIS A 126 -0.464 11.403 -3.062 1.00 0.00 N flip ATOM 1966 CD2 HIS A 126 0.969 13.042 -3.198 1.00 0.00 C flip ATOM 1967 CE1 HIS A 126 -1.100 12.557 -3.456 1.00 0.00 C flip ATOM 1968 NE2 HIS A 126 -0.210 13.530 -3.529 1.00 0.00 N flip ATOM 0 H HIS A 126 2.907 9.776 -4.519 1.00 0.00 H new ATOM 0 HA HIS A 126 3.290 12.348 -3.327 1.00 0.00 H new ATOM 0 HB2 HIS A 126 1.794 9.815 -2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 126 2.100 10.890 -1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.890 13.605 -3.169 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.154 12.652 -3.670 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.402 14.495 -3.796 1.00 0.00 H new ATOM 1976 N PHE A 127 4.801 9.742 -1.960 1.00 0.00 N ATOM 1977 CA PHE A 127 5.885 9.364 -1.065 1.00 0.00 C ATOM 1978 C PHE A 127 7.228 9.860 -1.602 1.00 0.00 C ATOM 1979 O PHE A 127 7.745 10.881 -1.151 1.00 0.00 O ATOM 1980 CB PHE A 127 5.906 7.843 -0.867 1.00 0.00 C ATOM 1981 CG PHE A 127 6.157 7.419 0.550 1.00 0.00 C ATOM 1982 CD1 PHE A 127 7.399 7.602 1.132 1.00 0.00 C ATOM 1983 CD2 PHE A 127 5.151 6.828 1.297 1.00 0.00 C ATOM 1984 CE1 PHE A 127 7.635 7.207 2.434 1.00 0.00 C ATOM 1985 CE2 PHE A 127 5.381 6.428 2.600 1.00 0.00 C ATOM 1986 CZ PHE A 127 6.625 6.619 3.170 1.00 0.00 C ATOM 0 H PHE A 127 4.329 8.957 -2.409 1.00 0.00 H new ATOM 0 HA PHE A 127 5.715 9.835 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.952 7.430 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.677 7.414 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.193 8.059 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.176 6.678 0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.609 7.358 2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 127 4.589 5.967 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 127 6.807 6.309 4.188 1.00 0.00 H new ATOM 1996 N LYS A 128 7.789 9.139 -2.570 1.00 0.00 N ATOM 1997 CA LYS A 128 9.068 9.521 -3.156 1.00 0.00 C ATOM 1998 C LYS A 128 8.894 10.656 -4.161 1.00 0.00 C ATOM 1999 O LYS A 128 7.827 10.819 -4.754 1.00 0.00 O ATOM 2000 CB LYS A 128 9.724 8.317 -3.833 1.00 0.00 C ATOM 2001 CG LYS A 128 9.712 7.060 -2.980 1.00 0.00 C ATOM 2002 CD LYS A 128 10.787 7.106 -1.905 1.00 0.00 C ATOM 2003 CE LYS A 128 10.310 7.859 -0.672 1.00 0.00 C ATOM 2004 NZ LYS A 128 11.373 8.738 -0.109 1.00 0.00 N ATOM 0 H LYS A 128 7.379 8.291 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 128 9.715 9.872 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 128 9.210 8.114 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 128 10.755 8.568 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.734 6.945 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 128 9.867 6.187 -3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 128 11.068 6.090 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 128 11.681 7.586 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 128 9.440 8.462 -0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 128 9.990 7.145 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 11.007 9.232 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 12.194 8.160 0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 11.661 9.436 -0.824 1.00 0.00 H new ATOM 2018 N TRP A 129 9.952 11.440 -4.349 1.00 0.00 N ATOM 2019 CA TRP A 129 9.917 12.560 -5.282 1.00 0.00 C ATOM 2020 C TRP A 129 11.280 12.759 -5.948 1.00 0.00 C ATOM 2021 O TRP A 129 11.869 13.838 -5.877 1.00 0.00 O ATOM 2022 CB TRP A 129 9.479 13.840 -4.557 1.00 0.00 C ATOM 2023 CG TRP A 129 9.595 15.076 -5.399 1.00 0.00 C ATOM 2024 CD1 TRP A 129 10.463 16.115 -5.211 1.00 0.00 C ATOM 2025 CD2 TRP A 129 8.827 15.400 -6.562 1.00 0.00 C ATOM 2026 NE1 TRP A 129 10.278 17.064 -6.186 1.00 0.00 N ATOM 2027 CE2 TRP A 129 9.280 16.648 -7.028 1.00 0.00 C ATOM 2028 CE3 TRP A 129 7.798 14.755 -7.257 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 8.741 17.263 -8.156 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 7.265 15.367 -8.375 1.00 0.00 C ATOM 2031 CH2 TRP A 129 7.737 16.610 -8.816 1.00 0.00 C ATOM 0 H TRP A 129 10.843 11.320 -3.868 1.00 0.00 H new ATOM 0 HA TRP A 129 9.191 12.334 -6.063 1.00 0.00 H new ATOM 0 HB2 TRP A 129 8.445 13.728 -4.232 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.084 13.964 -3.659 1.00 0.00 H new ATOM 0 HD1 TRP A 129 11.188 16.180 -4.413 1.00 0.00 H new ATOM 0 HE1 TRP A 129 10.799 17.937 -6.270 1.00 0.00 H new ATOM 0 HE3 TRP A 129 7.427 13.796 -6.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 9.103 18.222 -8.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 6.470 14.878 -8.919 1.00 0.00 H new ATOM 0 HH2 TRP A 129 7.300 17.061 -9.694 1.00 0.00 H new ATOM 2042 N VAL A 130 11.771 11.712 -6.604 1.00 0.00 N ATOM 2043 CA VAL A 130 13.057 11.775 -7.292 1.00 0.00 C ATOM 2044 C VAL A 130 13.045 10.928 -8.560 1.00 0.00 C ATOM 2045 O VAL A 130 14.096 10.510 -9.047 1.00 0.00 O ATOM 2046 CB VAL A 130 14.215 11.299 -6.393 1.00 0.00 C ATOM 2047 CG1 VAL A 130 15.556 11.678 -7.006 1.00 0.00 C ATOM 2048 CG2 VAL A 130 14.079 11.869 -4.988 1.00 0.00 C ATOM 0 H VAL A 130 11.299 10.811 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 130 13.216 12.822 -7.549 1.00 0.00 H new ATOM 0 HB VAL A 130 14.168 10.212 -6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 130 16.362 11.334 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 130 15.653 11.210 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 130 15.614 12.761 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 130 14.907 11.519 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 130 14.095 12.958 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 130 13.137 11.538 -4.551 1.00 0.00 H new ATOM 2058 N LYS A 131 11.854 10.680 -9.095 1.00 0.00 N ATOM 2059 CA LYS A 131 11.714 9.885 -10.310 1.00 0.00 C ATOM 2060 C LYS A 131 11.794 10.764 -11.556 1.00 0.00 C ATOM 2061 O LYS A 131 12.087 10.280 -12.649 1.00 0.00 O ATOM 2062 CB LYS A 131 10.388 9.120 -10.297 1.00 0.00 C ATOM 2063 CG LYS A 131 10.373 7.914 -11.223 1.00 0.00 C ATOM 2064 CD LYS A 131 8.968 7.606 -11.718 1.00 0.00 C ATOM 2065 CE LYS A 131 8.561 8.531 -12.856 1.00 0.00 C ATOM 2066 NZ LYS A 131 7.107 8.430 -13.166 1.00 0.00 N ATOM 0 H LYS A 131 10.973 11.017 -8.707 1.00 0.00 H new ATOM 0 HA LYS A 131 12.538 9.172 -10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 131 10.179 8.789 -9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.584 9.798 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.027 8.100 -12.075 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.773 7.046 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.919 6.570 -12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.261 7.708 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.804 9.560 -12.591 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.139 8.286 -13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 6.873 9.076 -13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 6.878 7.454 -13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 6.554 8.689 -12.324 1.00 0.00 H new ATOM 2080 N GLN A 132 11.531 12.060 -11.388 1.00 0.00 N ATOM 2081 CA GLN A 132 11.574 12.998 -12.504 1.00 0.00 C ATOM 2082 C GLN A 132 11.727 14.433 -12.004 1.00 0.00 C ATOM 2083 O GLN A 132 11.116 14.822 -11.008 1.00 0.00 O ATOM 2084 CB GLN A 132 10.304 12.872 -13.351 1.00 0.00 C ATOM 2085 CG GLN A 132 10.572 12.492 -14.799 1.00 0.00 C ATOM 2086 CD GLN A 132 9.306 12.457 -15.634 1.00 0.00 C ATOM 2087 OE1 GLN A 132 8.398 11.668 -15.373 1.00 0.00 O ATOM 2088 NE2 GLN A 132 9.241 13.315 -16.646 1.00 0.00 N ATOM 0 H GLN A 132 11.287 12.481 -10.492 1.00 0.00 H new ATOM 0 HA GLN A 132 12.440 12.754 -13.120 1.00 0.00 H new ATOM 0 HB2 GLN A 132 9.651 12.123 -12.903 1.00 0.00 H new ATOM 0 HB3 GLN A 132 9.766 13.820 -13.327 1.00 0.00 H new ATOM 0 HG2 GLN A 132 11.271 13.205 -15.235 1.00 0.00 H new ATOM 0 HG3 GLN A 132 11.052 11.514 -14.832 1.00 0.00 H new ATOM 0 HE21 GLN A 132 10.018 13.951 -16.826 1.00 0.00 H new ATOM 0 HE22 GLN A 132 8.414 13.338 -17.243 1.00 0.00 H new ATOM 2097 N GLU A 133 12.543 15.216 -12.702 1.00 0.00 N ATOM 2098 CA GLU A 133 12.771 16.607 -12.328 1.00 0.00 C ATOM 2099 C GLU A 133 13.159 17.443 -13.543 1.00 0.00 C ATOM 2100 O GLU A 133 14.298 17.286 -14.030 1.00 0.00 O ATOM 2101 CB GLU A 133 13.863 16.696 -11.261 1.00 0.00 C ATOM 2102 CG GLU A 133 13.583 15.842 -10.037 1.00 0.00 C ATOM 2103 CD GLU A 133 14.503 16.165 -8.876 1.00 0.00 C ATOM 2104 OE1 GLU A 133 15.013 17.304 -8.823 1.00 0.00 O ATOM 2105 OE2 GLU A 133 14.713 15.280 -8.020 1.00 0.00 O ATOM 2106 OXT GLU A 133 12.320 18.248 -13.998 1.00 0.00 O ATOM 0 H GLU A 133 13.057 14.911 -13.529 1.00 0.00 H new ATOM 0 HA GLU A 133 11.841 17.005 -11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 133 14.813 16.390 -11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 133 13.974 17.735 -10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 133 12.548 15.987 -9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 133 13.692 14.790 -10.300 1.00 0.00 H new TER 2113 GLU A 133