USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 831 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 70 ASN : amide:sc= -4.96! C(o=-9.7!,f=-12!) USER MOD Set 1.2: A 80 MET CE :methyl -126:sc= -4.73! (180deg=-2.16) USER MOD Set 2.1: A 67 TYR OH : rot -30:sc= 0.947 USER MOD Set 2.2: A 71 HIS : no HD1:sc= -1.39 K(o=-0.44,f=0.55) USER MOD Set 3.1: A 40 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 52 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.8!) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 26 HIS : no HD1:sc= -7.78! C(o=-12!,f=-20!) USER MOD Set 4.3: A 31 ASN : amide:sc= -4.61! C(o=-12!,f=-23!) USER MOD Set 5.1: A 11 LYS NZ :NH3+ -146:sc= 0.358 (180deg=-0.83) USER MOD Set 5.2: A 97 TYR OH : rot 180:sc= 0.796 USER MOD Set 6.1: A 2 SER OG : rot -140:sc= 0 USER MOD Set 6.2: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -35:sc= 0.802 USER MOD Single : A -2 LYS NZ :NH3+ -163:sc= -0.375 (180deg=-1.17) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -79:sc= 0.703 USER MOD Single : A 14 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.77! USER MOD Single : A 18 HIS : no HD1:sc= -0.412 K(o=-0.41,f=-4.4!) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.135 (180deg=-0.762) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-3.7!) USER MOD Single : A 39 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-0.62) USER MOD Single : A 42 GLN : amide:sc= -3.85! C(o=-3.8!,f=-12!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.941 USER MOD Single : A 48 TYR OH : rot 15:sc= -0.435 USER MOD Single : A 49 THR OG1 : rot 120:sc= -1.99 USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.157) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.6!) USER MOD Single : A 62 ASN : amide:sc= -0.357 X(o=-0.36,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 64 MET CE :methyl -131:sc= -3.01! (180deg=-3.67!) USER MOD Single : A 65 SER OG : rot -85:sc= 1.2 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.0963 (180deg=-0.894) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 79:sc= -4.4! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -0.19 (180deg=-1.01) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= -0.506 (180deg=-0.917) USER MOD Single : A 92 ASN : amide:sc= -3.41! C(o=-3.4!,f=-3.4!) USER MOD Single : A 96 THR OG1 : rot 94:sc= 1.17 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= -0.986! (180deg=-1.27!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.49 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -13.676 7.147 4.520 1.00 0.00 N ATOM 33 CA PHE A -3 -12.382 7.654 3.988 1.00 0.00 C ATOM 34 C PHE A -3 -12.232 9.139 4.323 1.00 0.00 C ATOM 35 O PHE A -3 -13.105 9.938 4.050 1.00 0.00 O ATOM 36 CB PHE A -3 -12.349 7.469 2.472 1.00 0.00 C ATOM 37 CG PHE A -3 -11.080 8.068 1.916 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.029 9.435 1.616 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.956 7.262 1.703 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.853 9.995 1.103 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.781 7.824 1.191 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.729 9.189 0.890 1.00 0.00 C ATOM 0 H1 PHE A -3 -13.774 6.137 4.290 1.00 0.00 H new ATOM 0 H2 PHE A -3 -13.699 7.271 5.552 1.00 0.00 H new ATOM 0 H3 PHE A -3 -14.460 7.678 4.090 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.562 7.098 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -12.402 6.409 2.224 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -13.218 7.946 2.018 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.897 10.057 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -9.995 6.208 1.933 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.813 11.049 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.913 7.203 1.028 1.00 0.00 H new ATOM 0 HZ PHE A -3 -7.822 9.621 0.493 1.00 0.00 H new ATOM 52 N LYS A -2 -11.126 9.514 4.908 1.00 0.00 N ATOM 53 CA LYS A -2 -10.911 10.945 5.258 1.00 0.00 C ATOM 54 C LYS A -2 -9.930 11.564 4.261 1.00 0.00 C ATOM 55 O LYS A -2 -9.076 10.893 3.717 1.00 0.00 O ATOM 56 CB LYS A -2 -10.337 11.045 6.673 1.00 0.00 C ATOM 57 CG LYS A -2 -11.258 10.325 7.665 1.00 0.00 C ATOM 58 CD LYS A -2 -12.597 11.060 7.764 1.00 0.00 C ATOM 59 CE LYS A -2 -13.342 10.592 9.018 1.00 0.00 C ATOM 60 NZ LYS A -2 -12.954 9.188 9.331 1.00 0.00 N ATOM 0 H LYS A -2 -10.361 8.888 5.159 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.860 11.480 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -9.341 10.603 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -10.230 12.092 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.421 9.297 7.342 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -10.785 10.280 8.646 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.431 12.137 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.198 10.865 6.876 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -13.104 11.243 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -14.419 10.656 8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -13.649 8.773 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -12.929 8.631 8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -12.013 9.178 9.774 1.00 0.00 H new ATOM 74 N ALA A -1 -10.051 12.838 4.008 1.00 0.00 N ATOM 75 CA ALA A -1 -9.133 13.497 3.039 1.00 0.00 C ATOM 76 C ALA A -1 -7.896 14.026 3.768 1.00 0.00 C ATOM 77 O ALA A -1 -7.568 13.594 4.856 1.00 0.00 O ATOM 78 CB ALA A -1 -9.858 14.662 2.366 1.00 0.00 C ATOM 0 H ALA A -1 -10.747 13.451 4.432 1.00 0.00 H new ATOM 0 HA ALA A -1 -8.824 12.770 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -9.188 15.146 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -10.736 14.289 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -10.168 15.383 3.122 1.00 0.00 H new ATOM 84 N GLY A 1 -7.207 14.961 3.171 1.00 0.00 N ATOM 85 CA GLY A 1 -5.988 15.526 3.816 1.00 0.00 C ATOM 86 C GLY A 1 -5.213 16.358 2.793 1.00 0.00 C ATOM 87 O GLY A 1 -5.663 17.399 2.356 1.00 0.00 O ATOM 0 H GLY A 1 -7.437 15.359 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.268 16.145 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.359 14.722 4.199 1.00 0.00 H new ATOM 91 N SER A 2 -4.054 15.905 2.400 1.00 0.00 N ATOM 92 CA SER A 2 -3.255 16.661 1.403 1.00 0.00 C ATOM 93 C SER A 2 -2.416 15.677 0.586 1.00 0.00 C ATOM 94 O SER A 2 -1.482 15.080 1.085 1.00 0.00 O ATOM 95 CB SER A 2 -2.333 17.645 2.124 1.00 0.00 C ATOM 96 OG SER A 2 -2.301 17.328 3.510 1.00 0.00 O ATOM 0 H SER A 2 -3.627 15.039 2.730 1.00 0.00 H new ATOM 0 HA SER A 2 -3.921 17.214 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.328 17.595 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.688 18.666 1.980 1.00 0.00 H new ATOM 0 HG SER A 2 -2.306 18.155 4.035 1.00 0.00 H new ATOM 102 N ALA A 3 -2.742 15.503 -0.663 1.00 0.00 N ATOM 103 CA ALA A 3 -1.965 14.556 -1.511 1.00 0.00 C ATOM 104 C ALA A 3 -0.527 15.054 -1.638 1.00 0.00 C ATOM 105 O ALA A 3 0.383 14.295 -1.911 1.00 0.00 O ATOM 106 CB ALA A 3 -2.601 14.477 -2.900 1.00 0.00 C ATOM 0 H ALA A 3 -3.513 15.975 -1.135 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.970 13.567 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.033 13.784 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.629 14.125 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.595 15.465 -3.360 1.00 0.00 H new ATOM 112 N LYS A 4 -0.315 16.326 -1.450 1.00 0.00 N ATOM 113 CA LYS A 4 1.062 16.878 -1.568 1.00 0.00 C ATOM 114 C LYS A 4 1.995 16.130 -0.614 1.00 0.00 C ATOM 115 O LYS A 4 3.043 15.653 -1.001 1.00 0.00 O ATOM 116 CB LYS A 4 1.027 18.356 -1.180 1.00 0.00 C ATOM 117 CG LYS A 4 0.049 19.097 -2.094 1.00 0.00 C ATOM 118 CD LYS A 4 -0.449 20.362 -1.394 1.00 0.00 C ATOM 119 CE LYS A 4 -1.641 20.015 -0.495 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.217 21.267 0.072 1.00 0.00 N ATOM 0 H LYS A 4 -1.037 17.008 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 4 1.423 16.764 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.722 18.463 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.023 18.790 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.539 19.357 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.793 18.451 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.352 20.801 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.742 21.108 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.399 19.480 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.323 19.352 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.026 21.032 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.493 21.760 0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.535 21.884 -0.702 1.00 0.00 H new ATOM 134 N LYS A 5 1.620 16.020 0.632 1.00 0.00 N ATOM 135 CA LYS A 5 2.479 15.298 1.608 1.00 0.00 C ATOM 136 C LYS A 5 2.541 13.816 1.239 1.00 0.00 C ATOM 137 O LYS A 5 3.576 13.185 1.319 1.00 0.00 O ATOM 138 CB LYS A 5 1.888 15.454 3.006 1.00 0.00 C ATOM 139 CG LYS A 5 1.926 16.926 3.418 1.00 0.00 C ATOM 140 CD LYS A 5 1.442 17.066 4.862 1.00 0.00 C ATOM 141 CE LYS A 5 1.364 18.547 5.235 1.00 0.00 C ATOM 142 NZ LYS A 5 0.055 19.103 4.786 1.00 0.00 N ATOM 0 H LYS A 5 0.754 16.400 1.014 1.00 0.00 H new ATOM 0 HA LYS A 5 3.486 15.714 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.861 15.088 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.451 14.852 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.940 17.314 3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.296 17.517 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.463 16.600 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.122 16.546 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.472 18.668 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.183 19.094 4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.001 20.110 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.031 19.000 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.719 18.587 5.251 1.00 0.00 H new ATOM 156 N GLY A 6 1.432 13.256 0.842 1.00 0.00 N ATOM 157 CA GLY A 6 1.409 11.813 0.472 1.00 0.00 C ATOM 158 C GLY A 6 2.332 11.569 -0.719 1.00 0.00 C ATOM 159 O GLY A 6 2.993 10.554 -0.808 1.00 0.00 O ATOM 0 H GLY A 6 0.537 13.738 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.726 11.206 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.392 11.508 0.224 1.00 0.00 H new ATOM 163 N ALA A 7 2.380 12.489 -1.640 1.00 0.00 N ATOM 164 CA ALA A 7 3.258 12.302 -2.825 1.00 0.00 C ATOM 165 C ALA A 7 4.711 12.198 -2.369 1.00 0.00 C ATOM 166 O ALA A 7 5.464 11.376 -2.847 1.00 0.00 O ATOM 167 CB ALA A 7 3.103 13.495 -3.770 1.00 0.00 C ATOM 0 H ALA A 7 1.850 13.360 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 7 2.974 11.388 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.747 13.357 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.065 13.569 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.386 14.410 -3.250 1.00 0.00 H new ATOM 173 N THR A 8 5.112 13.025 -1.446 1.00 0.00 N ATOM 174 CA THR A 8 6.514 12.972 -0.962 1.00 0.00 C ATOM 175 C THR A 8 6.685 11.806 0.015 1.00 0.00 C ATOM 176 O THR A 8 7.735 11.200 0.092 1.00 0.00 O ATOM 177 CB THR A 8 6.852 14.283 -0.257 1.00 0.00 C ATOM 178 OG1 THR A 8 6.108 14.376 0.950 1.00 0.00 O ATOM 179 CG2 THR A 8 6.501 15.460 -1.168 1.00 0.00 C ATOM 0 H THR A 8 4.527 13.736 -1.006 1.00 0.00 H new ATOM 0 HA THR A 8 7.184 12.826 -1.810 1.00 0.00 H new ATOM 0 HB THR A 8 7.918 14.309 -0.029 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.224 13.974 0.821 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.743 16.395 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.074 15.388 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.436 15.437 -1.398 1.00 0.00 H new ATOM 187 N LEU A 9 5.665 11.486 0.766 1.00 0.00 N ATOM 188 CA LEU A 9 5.783 10.363 1.734 1.00 0.00 C ATOM 189 C LEU A 9 6.071 9.071 0.972 1.00 0.00 C ATOM 190 O LEU A 9 6.919 8.285 1.349 1.00 0.00 O ATOM 191 CB LEU A 9 4.469 10.223 2.503 1.00 0.00 C ATOM 192 CG LEU A 9 4.643 9.206 3.631 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.609 9.761 4.679 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.286 8.938 4.285 1.00 0.00 C ATOM 0 H LEU A 9 4.759 11.954 0.750 1.00 0.00 H new ATOM 0 HA LEU A 9 6.595 10.560 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.170 11.188 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.674 9.903 1.830 1.00 0.00 H new ATOM 0 HG LEU A 9 5.045 8.278 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.731 9.034 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.576 9.956 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.209 10.689 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.407 8.213 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.888 9.868 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.595 8.542 3.541 1.00 0.00 H new ATOM 206 N PHE A 10 5.377 8.857 -0.109 1.00 0.00 N ATOM 207 CA PHE A 10 5.610 7.629 -0.914 1.00 0.00 C ATOM 208 C PHE A 10 7.032 7.648 -1.470 1.00 0.00 C ATOM 209 O PHE A 10 7.753 6.672 -1.402 1.00 0.00 O ATOM 210 CB PHE A 10 4.607 7.591 -2.071 1.00 0.00 C ATOM 211 CG PHE A 10 4.905 6.417 -2.973 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.850 6.551 -3.998 1.00 0.00 C ATOM 213 CD2 PHE A 10 4.232 5.202 -2.798 1.00 0.00 C ATOM 214 CE1 PHE A 10 6.124 5.472 -4.846 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.507 4.121 -3.646 1.00 0.00 C ATOM 216 CZ PHE A 10 5.452 4.256 -4.671 1.00 0.00 C ATOM 0 H PHE A 10 4.656 9.482 -0.470 1.00 0.00 H new ATOM 0 HA PHE A 10 5.480 6.747 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.592 7.513 -1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.659 8.520 -2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.368 7.489 -4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.501 5.098 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.854 5.577 -5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.990 3.183 -3.509 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.662 3.423 -5.326 1.00 0.00 H new ATOM 226 N LYS A 11 7.435 8.755 -2.029 1.00 0.00 N ATOM 227 CA LYS A 11 8.801 8.852 -2.602 1.00 0.00 C ATOM 228 C LYS A 11 9.862 8.725 -1.507 1.00 0.00 C ATOM 229 O LYS A 11 10.942 8.217 -1.736 1.00 0.00 O ATOM 230 CB LYS A 11 8.957 10.209 -3.293 1.00 0.00 C ATOM 231 CG LYS A 11 7.906 10.366 -4.396 1.00 0.00 C ATOM 232 CD LYS A 11 8.258 9.473 -5.589 1.00 0.00 C ATOM 233 CE LYS A 11 7.426 9.893 -6.801 1.00 0.00 C ATOM 234 NZ LYS A 11 6.059 10.284 -6.355 1.00 0.00 N ATOM 0 H LYS A 11 6.871 9.601 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 11 8.938 8.041 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.851 11.011 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.957 10.296 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.921 10.101 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.854 11.407 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.321 9.555 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.064 8.428 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.905 10.727 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.366 9.072 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.367 10.019 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.831 9.795 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.024 11.312 -6.203 1.00 0.00 H new ATOM 248 N THR A 12 9.584 9.214 -0.334 1.00 0.00 N ATOM 249 CA THR A 12 10.596 9.156 0.754 1.00 0.00 C ATOM 250 C THR A 12 10.480 7.863 1.568 1.00 0.00 C ATOM 251 O THR A 12 11.192 7.685 2.537 1.00 0.00 O ATOM 252 CB THR A 12 10.384 10.352 1.683 1.00 0.00 C ATOM 253 OG1 THR A 12 9.109 10.248 2.301 1.00 0.00 O ATOM 254 CG2 THR A 12 10.460 11.648 0.875 1.00 0.00 C ATOM 0 H THR A 12 8.698 9.652 -0.081 1.00 0.00 H new ATOM 0 HA THR A 12 11.588 9.181 0.303 1.00 0.00 H new ATOM 0 HB THR A 12 11.159 10.361 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.415 10.533 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.309 12.500 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.439 11.725 0.403 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.686 11.644 0.107 1.00 0.00 H new ATOM 262 N ARG A 13 9.598 6.962 1.217 1.00 0.00 N ATOM 263 CA ARG A 13 9.490 5.716 2.036 1.00 0.00 C ATOM 264 C ARG A 13 9.147 4.491 1.177 1.00 0.00 C ATOM 265 O ARG A 13 9.905 3.544 1.110 1.00 0.00 O ATOM 266 CB ARG A 13 8.400 5.908 3.093 1.00 0.00 C ATOM 267 CG ARG A 13 8.811 7.031 4.048 1.00 0.00 C ATOM 268 CD ARG A 13 7.792 7.135 5.182 1.00 0.00 C ATOM 269 NE ARG A 13 8.092 8.337 6.011 1.00 0.00 N ATOM 270 CZ ARG A 13 8.987 8.268 6.959 1.00 0.00 C ATOM 271 NH1 ARG A 13 9.616 7.146 7.182 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.251 9.320 7.685 1.00 0.00 N ATOM 0 H ARG A 13 8.964 7.030 0.421 1.00 0.00 H new ATOM 0 HA ARG A 13 10.458 5.536 2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.452 6.152 2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.248 4.982 3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.803 6.833 4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.870 7.977 3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.784 7.204 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.826 6.237 5.799 1.00 0.00 H new ATOM 0 HE ARG A 13 7.598 9.213 5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.408 6.324 6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.315 7.092 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.758 10.196 7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.950 9.266 8.426 1.00 0.00 H new ATOM 286 N CYS A 14 8.001 4.478 0.554 1.00 0.00 N ATOM 287 CA CYS A 14 7.609 3.284 -0.255 1.00 0.00 C ATOM 288 C CYS A 14 8.506 3.129 -1.487 1.00 0.00 C ATOM 289 O CYS A 14 8.769 2.030 -1.929 1.00 0.00 O ATOM 290 CB CYS A 14 6.152 3.418 -0.698 1.00 0.00 C ATOM 291 SG CYS A 14 5.179 4.321 0.547 1.00 0.00 S ATOM 0 H CYS A 14 7.320 5.237 0.568 1.00 0.00 H new ATOM 0 HA CYS A 14 7.728 2.398 0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.104 3.941 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.722 2.429 -0.855 1.00 0.00 H new ATOM 0 HG CYS A 14 3.947 4.422 0.145 1.00 0.00 H new ATOM 296 N LEU A 15 8.968 4.202 -2.060 1.00 0.00 N ATOM 297 CA LEU A 15 9.831 4.071 -3.272 1.00 0.00 C ATOM 298 C LEU A 15 11.044 3.189 -2.971 1.00 0.00 C ATOM 299 O LEU A 15 11.505 2.447 -3.817 1.00 0.00 O ATOM 300 CB LEU A 15 10.300 5.450 -3.730 1.00 0.00 C ATOM 301 CG LEU A 15 11.212 5.305 -4.952 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.446 4.623 -6.084 1.00 0.00 C ATOM 303 CD2 LEU A 15 11.665 6.693 -5.411 1.00 0.00 C ATOM 0 H LEU A 15 8.790 5.157 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 15 9.246 3.607 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.441 6.073 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.835 5.950 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 15 12.081 4.703 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.096 4.520 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.117 3.636 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.577 5.225 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.315 6.595 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.793 7.291 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.210 7.183 -4.604 1.00 0.00 H new ATOM 315 N GLN A 16 11.580 3.270 -1.787 1.00 0.00 N ATOM 316 CA GLN A 16 12.776 2.443 -1.457 1.00 0.00 C ATOM 317 C GLN A 16 12.495 0.964 -1.747 1.00 0.00 C ATOM 318 O GLN A 16 13.339 0.257 -2.259 1.00 0.00 O ATOM 319 CB GLN A 16 13.120 2.614 0.022 1.00 0.00 C ATOM 320 CG GLN A 16 14.464 1.944 0.309 1.00 0.00 C ATOM 321 CD GLN A 16 14.831 2.144 1.781 1.00 0.00 C ATOM 322 OE1 GLN A 16 14.166 2.872 2.492 1.00 0.00 O ATOM 323 NE2 GLN A 16 15.868 1.523 2.273 1.00 0.00 N ATOM 0 H GLN A 16 11.244 3.871 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 16 13.614 2.772 -2.071 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.167 3.673 0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.340 2.172 0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.408 0.880 0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.238 2.369 -0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.427 0.912 1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.120 1.649 3.253 1.00 0.00 H new ATOM 332 N CYS A 17 11.325 0.487 -1.419 1.00 0.00 N ATOM 333 CA CYS A 17 11.006 -0.951 -1.675 1.00 0.00 C ATOM 334 C CYS A 17 10.039 -1.078 -2.847 1.00 0.00 C ATOM 335 O CYS A 17 10.154 -1.968 -3.667 1.00 0.00 O ATOM 336 CB CYS A 17 10.336 -1.556 -0.441 1.00 0.00 C ATOM 337 SG CYS A 17 11.504 -1.624 0.945 1.00 0.00 S ATOM 0 H CYS A 17 10.576 1.028 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 17 11.935 -1.473 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.467 -0.960 -0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.975 -2.559 -0.670 1.00 0.00 H new ATOM 0 HG CYS A 17 10.915 -2.139 1.984 1.00 0.00 H new ATOM 342 N HIS A 18 9.065 -0.221 -2.913 1.00 0.00 N ATOM 343 CA HIS A 18 8.063 -0.321 -4.007 1.00 0.00 C ATOM 344 C HIS A 18 8.411 0.593 -5.174 1.00 0.00 C ATOM 345 O HIS A 18 9.041 1.614 -5.021 1.00 0.00 O ATOM 346 CB HIS A 18 6.687 0.090 -3.489 1.00 0.00 C ATOM 347 CG HIS A 18 6.202 -0.890 -2.466 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.855 -2.197 -2.789 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.956 -0.756 -1.125 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.413 -2.788 -1.661 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.456 -1.946 -0.627 1.00 0.00 N ATOM 0 H HIS A 18 8.918 0.546 -2.257 1.00 0.00 H new ATOM 0 HA HIS A 18 8.062 -1.356 -4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.739 1.087 -3.051 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.980 0.142 -4.317 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.126 0.140 -0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.069 -3.810 -1.602 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.177 -2.140 0.335 1.00 0.00 H new ATOM 359 N THR A 19 7.956 0.233 -6.338 1.00 0.00 N ATOM 360 CA THR A 19 8.191 1.077 -7.537 1.00 0.00 C ATOM 361 C THR A 19 6.828 1.402 -8.140 1.00 0.00 C ATOM 362 O THR A 19 5.950 0.564 -8.196 1.00 0.00 O ATOM 363 CB THR A 19 9.020 0.324 -8.567 1.00 0.00 C ATOM 364 OG1 THR A 19 10.106 -0.328 -7.922 1.00 0.00 O ATOM 365 CG2 THR A 19 9.557 1.312 -9.602 1.00 0.00 C ATOM 0 H THR A 19 7.425 -0.620 -6.511 1.00 0.00 H new ATOM 0 HA THR A 19 8.730 1.981 -7.255 1.00 0.00 H new ATOM 0 HB THR A 19 8.397 -0.421 -9.062 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.637 -0.814 -8.587 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.152 0.776 -10.342 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.723 1.809 -10.097 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.180 2.056 -9.106 1.00 0.00 H new ATOM 373 N VAL A 20 6.632 2.606 -8.576 1.00 0.00 N ATOM 374 CA VAL A 20 5.315 2.981 -9.156 1.00 0.00 C ATOM 375 C VAL A 20 5.068 2.203 -10.451 1.00 0.00 C ATOM 376 O VAL A 20 3.950 1.864 -10.773 1.00 0.00 O ATOM 377 CB VAL A 20 5.316 4.476 -9.446 1.00 0.00 C ATOM 378 CG1 VAL A 20 3.928 4.907 -9.922 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.689 5.225 -8.169 1.00 0.00 C ATOM 0 H VAL A 20 7.327 3.352 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 20 4.522 2.739 -8.449 1.00 0.00 H new ATOM 0 HB VAL A 20 6.041 4.704 -10.227 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.930 5.977 -10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.669 4.362 -10.830 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.194 4.689 -9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.693 6.297 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.961 5.001 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.680 4.912 -7.840 1.00 0.00 H new ATOM 389 N GLU A 21 6.096 1.923 -11.200 1.00 0.00 N ATOM 390 CA GLU A 21 5.902 1.176 -12.476 1.00 0.00 C ATOM 391 C GLU A 21 5.096 -0.099 -12.211 1.00 0.00 C ATOM 392 O GLU A 21 5.228 -0.726 -11.179 1.00 0.00 O ATOM 393 CB GLU A 21 7.264 0.804 -13.062 1.00 0.00 C ATOM 394 CG GLU A 21 8.042 2.078 -13.391 1.00 0.00 C ATOM 395 CD GLU A 21 9.379 1.710 -14.036 1.00 0.00 C ATOM 396 OE1 GLU A 21 9.706 0.534 -14.044 1.00 0.00 O ATOM 397 OE2 GLU A 21 10.054 2.609 -14.510 1.00 0.00 O ATOM 0 H GLU A 21 7.060 2.177 -10.986 1.00 0.00 H new ATOM 0 HA GLU A 21 5.360 1.805 -13.182 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.824 0.196 -12.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.133 0.203 -13.962 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.462 2.707 -14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.212 2.657 -12.483 1.00 0.00 H new ATOM 404 N LYS A 22 4.263 -0.485 -13.140 1.00 0.00 N ATOM 405 CA LYS A 22 3.447 -1.720 -12.950 1.00 0.00 C ATOM 406 C LYS A 22 4.374 -2.903 -12.676 1.00 0.00 C ATOM 407 O LYS A 22 4.043 -3.804 -11.932 1.00 0.00 O ATOM 408 CB LYS A 22 2.637 -1.997 -14.220 1.00 0.00 C ATOM 409 CG LYS A 22 1.606 -0.887 -14.433 1.00 0.00 C ATOM 410 CD LYS A 22 0.762 -1.206 -15.668 1.00 0.00 C ATOM 411 CE LYS A 22 -0.183 -0.038 -15.959 1.00 0.00 C ATOM 412 NZ LYS A 22 -0.885 0.358 -14.705 1.00 0.00 N ATOM 0 H LYS A 22 4.112 0.002 -14.023 1.00 0.00 H new ATOM 0 HA LYS A 22 2.770 -1.582 -12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.303 -2.057 -15.081 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.135 -2.961 -14.138 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.966 -0.797 -13.555 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.109 0.072 -14.561 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.409 -1.386 -16.527 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.189 -2.119 -15.504 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.378 0.807 -16.357 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.909 -0.325 -16.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.745 0.893 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.145 -0.494 -14.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.256 0.952 -14.128 1.00 0.00 H new ATOM 426 N GLY A 23 5.532 -2.904 -13.277 1.00 0.00 N ATOM 427 CA GLY A 23 6.490 -4.027 -13.060 1.00 0.00 C ATOM 428 C GLY A 23 7.847 -3.464 -12.638 1.00 0.00 C ATOM 429 O GLY A 23 8.365 -2.547 -13.244 1.00 0.00 O ATOM 0 H GLY A 23 5.858 -2.174 -13.911 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.109 -4.701 -12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.595 -4.612 -13.974 1.00 0.00 H new ATOM 433 N GLY A 24 8.426 -4.006 -11.603 1.00 0.00 N ATOM 434 CA GLY A 24 9.750 -3.508 -11.137 1.00 0.00 C ATOM 435 C GLY A 24 10.670 -4.696 -10.860 1.00 0.00 C ATOM 436 O GLY A 24 10.237 -5.831 -10.822 1.00 0.00 O ATOM 0 H GLY A 24 8.037 -4.776 -11.058 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.193 -2.859 -11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.629 -2.910 -10.234 1.00 0.00 H new ATOM 440 N PRO A 25 11.933 -4.434 -10.665 1.00 0.00 N ATOM 441 CA PRO A 25 12.942 -5.494 -10.381 1.00 0.00 C ATOM 442 C PRO A 25 12.559 -6.324 -9.153 1.00 0.00 C ATOM 443 O PRO A 25 13.040 -7.422 -8.959 1.00 0.00 O ATOM 444 CB PRO A 25 14.245 -4.724 -10.127 1.00 0.00 C ATOM 445 CG PRO A 25 13.855 -3.291 -9.948 1.00 0.00 C ATOM 446 CD PRO A 25 12.536 -3.098 -10.691 1.00 0.00 C ATOM 0 HA PRO A 25 13.025 -6.204 -11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.754 -5.102 -9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.934 -4.838 -10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.742 -3.050 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.624 -2.628 -10.346 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.902 -2.361 -10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.697 -2.749 -11.711 1.00 0.00 H new ATOM 454 N HIS A 26 11.696 -5.801 -8.325 1.00 0.00 N ATOM 455 CA HIS A 26 11.274 -6.550 -7.108 1.00 0.00 C ATOM 456 C HIS A 26 12.502 -6.880 -6.259 1.00 0.00 C ATOM 457 O HIS A 26 12.591 -7.939 -5.669 1.00 0.00 O ATOM 458 CB HIS A 26 10.580 -7.852 -7.516 1.00 0.00 C ATOM 459 CG HIS A 26 9.505 -7.562 -8.518 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.431 -6.728 -8.240 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.323 -7.997 -9.801 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.656 -6.688 -9.340 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.158 -7.443 -10.319 1.00 0.00 N ATOM 0 H HIS A 26 11.264 -4.884 -8.440 1.00 0.00 H new ATOM 0 HA HIS A 26 10.583 -5.935 -6.532 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.307 -8.545 -7.939 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.151 -8.336 -6.639 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.983 -8.668 -10.331 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.743 -6.117 -9.420 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.769 -7.584 -11.251 1.00 0.00 H new ATOM 472 N LYS A 27 13.455 -5.992 -6.196 1.00 0.00 N ATOM 473 CA LYS A 27 14.675 -6.273 -5.390 1.00 0.00 C ATOM 474 C LYS A 27 14.286 -6.566 -3.940 1.00 0.00 C ATOM 475 O LYS A 27 14.749 -7.517 -3.344 1.00 0.00 O ATOM 476 CB LYS A 27 15.601 -5.057 -5.431 1.00 0.00 C ATOM 477 CG LYS A 27 16.895 -5.378 -4.683 1.00 0.00 C ATOM 478 CD LYS A 27 17.796 -4.142 -4.668 1.00 0.00 C ATOM 479 CE LYS A 27 19.153 -4.507 -4.063 1.00 0.00 C ATOM 480 NZ LYS A 27 19.716 -3.323 -3.354 1.00 0.00 N ATOM 0 H LYS A 27 13.442 -5.087 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 27 15.187 -7.141 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.822 -4.789 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.110 -4.196 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.670 -5.690 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.409 -6.210 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.928 -3.763 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.330 -3.346 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.041 -5.340 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.836 -4.834 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.638 -3.571 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.837 -2.540 -4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.066 -3.031 -2.596 1.00 0.00 H new ATOM 494 N VAL A 28 13.436 -5.759 -3.365 1.00 0.00 N ATOM 495 CA VAL A 28 13.026 -6.002 -1.953 1.00 0.00 C ATOM 496 C VAL A 28 11.730 -6.817 -1.922 1.00 0.00 C ATOM 497 O VAL A 28 11.696 -7.925 -1.423 1.00 0.00 O ATOM 498 CB VAL A 28 12.802 -4.667 -1.247 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.645 -4.908 0.254 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.001 -3.750 -1.497 1.00 0.00 C ATOM 0 H VAL A 28 13.010 -4.946 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 28 13.814 -6.556 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 28 11.900 -4.195 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.485 -3.956 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.790 -5.561 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.548 -5.379 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.841 -2.797 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.905 -4.219 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.112 -3.580 -2.568 1.00 0.00 H new ATOM 510 N GLY A 29 10.664 -6.274 -2.448 1.00 0.00 N ATOM 511 CA GLY A 29 9.366 -7.010 -2.449 1.00 0.00 C ATOM 512 C GLY A 29 8.760 -6.975 -3.856 1.00 0.00 C ATOM 513 O GLY A 29 9.267 -6.306 -4.731 1.00 0.00 O ATOM 0 H GLY A 29 10.637 -5.350 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.521 -8.042 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.679 -6.558 -1.734 1.00 0.00 H new ATOM 517 N PRO A 30 7.678 -7.680 -4.073 1.00 0.00 N ATOM 518 CA PRO A 30 6.996 -7.716 -5.402 1.00 0.00 C ATOM 519 C PRO A 30 6.552 -6.333 -5.865 1.00 0.00 C ATOM 520 O PRO A 30 5.655 -6.199 -6.673 1.00 0.00 O ATOM 521 CB PRO A 30 5.762 -8.587 -5.186 1.00 0.00 C ATOM 522 CG PRO A 30 5.969 -9.310 -3.894 1.00 0.00 C ATOM 523 CD PRO A 30 6.989 -8.516 -3.079 1.00 0.00 C ATOM 0 HA PRO A 30 7.673 -8.095 -6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.859 -7.977 -5.148 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.636 -9.291 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.029 -9.398 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.329 -10.323 -4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.502 -7.908 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.686 -9.176 -2.563 1.00 0.00 H new ATOM 531 N ASN A 31 7.159 -5.308 -5.356 1.00 0.00 N ATOM 532 CA ASN A 31 6.762 -3.942 -5.761 1.00 0.00 C ATOM 533 C ASN A 31 5.269 -3.745 -5.506 1.00 0.00 C ATOM 534 O ASN A 31 4.752 -4.146 -4.481 1.00 0.00 O ATOM 535 CB ASN A 31 7.087 -3.726 -7.239 1.00 0.00 C ATOM 536 CG ASN A 31 8.599 -3.820 -7.431 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.069 -4.298 -8.445 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.386 -3.382 -6.487 1.00 0.00 N ATOM 0 H ASN A 31 7.916 -5.357 -4.674 1.00 0.00 H new ATOM 0 HA ASN A 31 7.317 -3.211 -5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.582 -4.475 -7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.725 -2.751 -7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.398 -3.440 -6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.989 -2.981 -5.637 1.00 0.00 H new ATOM 545 N LEU A 32 4.571 -3.130 -6.421 1.00 0.00 N ATOM 546 CA LEU A 32 3.111 -2.899 -6.213 1.00 0.00 C ATOM 547 C LEU A 32 2.509 -2.217 -7.452 1.00 0.00 C ATOM 548 O LEU A 32 2.752 -2.615 -8.574 1.00 0.00 O ATOM 549 CB LEU A 32 2.918 -1.989 -4.988 1.00 0.00 C ATOM 550 CG LEU A 32 1.559 -2.269 -4.347 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.552 -3.681 -3.750 1.00 0.00 C ATOM 552 CD2 LEU A 32 1.306 -1.248 -3.236 1.00 0.00 C ATOM 0 H LEU A 32 4.946 -2.778 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 32 2.611 -3.854 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.715 -2.163 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.981 -0.943 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 32 0.778 -2.192 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.582 -3.878 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.737 -4.410 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.332 -3.760 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.338 -1.444 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.089 -1.329 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.311 -0.243 -3.658 1.00 0.00 H new ATOM 564 N HIS A 33 1.726 -1.188 -7.248 1.00 0.00 N ATOM 565 CA HIS A 33 1.100 -0.462 -8.390 1.00 0.00 C ATOM 566 C HIS A 33 0.196 -1.406 -9.185 1.00 0.00 C ATOM 567 O HIS A 33 0.646 -2.374 -9.763 1.00 0.00 O ATOM 568 CB HIS A 33 2.188 0.096 -9.310 1.00 0.00 C ATOM 569 CG HIS A 33 1.575 1.108 -10.240 1.00 0.00 C ATOM 570 ND1 HIS A 33 0.789 2.155 -9.777 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.625 1.253 -11.606 1.00 0.00 C ATOM 572 CE1 HIS A 33 0.400 2.875 -10.846 1.00 0.00 C ATOM 573 NE2 HIS A 33 0.884 2.367 -11.981 1.00 0.00 N ATOM 0 H HIS A 33 1.492 -0.817 -6.327 1.00 0.00 H new ATOM 0 HA HIS A 33 0.501 0.359 -7.996 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.979 0.559 -8.720 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.647 -0.711 -9.882 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.158 0.602 -12.283 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.225 3.754 -10.792 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.740 2.722 -12.926 1.00 0.00 H new ATOM 582 N GLY A 34 -1.078 -1.114 -9.234 1.00 0.00 N ATOM 583 CA GLY A 34 -2.012 -1.976 -10.012 1.00 0.00 C ATOM 584 C GLY A 34 -2.816 -2.894 -9.083 1.00 0.00 C ATOM 585 O GLY A 34 -3.660 -3.644 -9.531 1.00 0.00 O ATOM 0 H GLY A 34 -1.510 -0.316 -8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.693 -1.351 -10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.448 -2.578 -10.725 1.00 0.00 H new ATOM 589 N ILE A 35 -2.571 -2.855 -7.802 1.00 0.00 N ATOM 590 CA ILE A 35 -3.341 -3.744 -6.884 1.00 0.00 C ATOM 591 C ILE A 35 -4.687 -3.110 -6.524 1.00 0.00 C ATOM 592 O ILE A 35 -5.604 -3.789 -6.107 1.00 0.00 O ATOM 593 CB ILE A 35 -2.534 -4.005 -5.613 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.313 -2.691 -4.852 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.187 -4.614 -5.991 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.684 -2.993 -3.494 1.00 0.00 C ATOM 0 H ILE A 35 -1.879 -2.254 -7.354 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.527 -4.690 -7.393 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.082 -4.695 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.665 -2.029 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.262 -2.171 -4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.607 -4.802 -5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.348 -5.553 -6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.643 -3.923 -6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.526 -2.061 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.349 -3.639 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.727 -3.495 -3.640 1.00 0.00 H new ATOM 608 N PHE A 36 -4.824 -1.821 -6.680 1.00 0.00 N ATOM 609 CA PHE A 36 -6.125 -1.182 -6.339 1.00 0.00 C ATOM 610 C PHE A 36 -7.218 -1.811 -7.207 1.00 0.00 C ATOM 611 O PHE A 36 -7.088 -1.908 -8.410 1.00 0.00 O ATOM 612 CB PHE A 36 -6.048 0.324 -6.612 1.00 0.00 C ATOM 613 CG PHE A 36 -5.524 1.049 -5.389 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.223 0.809 -4.924 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.340 1.976 -4.727 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.744 1.491 -3.799 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.860 2.656 -3.601 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.562 2.415 -3.139 1.00 0.00 C ATOM 0 H PHE A 36 -4.100 -1.190 -7.025 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.352 -1.337 -5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.396 0.514 -7.464 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.035 0.705 -6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.590 0.098 -5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.341 2.166 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.743 1.304 -3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.492 3.367 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.191 2.942 -2.273 1.00 0.00 H new ATOM 628 N GLY A 37 -8.287 -2.257 -6.605 1.00 0.00 N ATOM 629 CA GLY A 37 -9.375 -2.897 -7.399 1.00 0.00 C ATOM 630 C GLY A 37 -8.951 -4.322 -7.763 1.00 0.00 C ATOM 631 O GLY A 37 -9.401 -4.889 -8.738 1.00 0.00 O ATOM 0 H GLY A 37 -8.454 -2.206 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.301 -2.915 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.572 -2.320 -8.303 1.00 0.00 H new ATOM 635 N ARG A 38 -8.077 -4.897 -6.983 1.00 0.00 N ATOM 636 CA ARG A 38 -7.601 -6.280 -7.269 1.00 0.00 C ATOM 637 C ARG A 38 -7.437 -7.031 -5.943 1.00 0.00 C ATOM 638 O ARG A 38 -7.447 -6.439 -4.883 1.00 0.00 O ATOM 639 CB ARG A 38 -6.253 -6.199 -7.999 1.00 0.00 C ATOM 640 CG ARG A 38 -5.811 -7.588 -8.482 1.00 0.00 C ATOM 641 CD ARG A 38 -6.856 -8.168 -9.438 1.00 0.00 C ATOM 642 NE ARG A 38 -7.512 -7.064 -10.193 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.710 -7.229 -10.684 1.00 0.00 C ATOM 644 NH1 ARG A 38 -9.335 -8.363 -10.513 1.00 0.00 N ATOM 645 NH2 ARG A 38 -9.284 -6.262 -11.346 1.00 0.00 N ATOM 0 H ARG A 38 -7.669 -4.465 -6.154 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.319 -6.809 -7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.335 -5.522 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.498 -5.783 -7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.846 -7.517 -8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.678 -8.253 -7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.383 -8.864 -10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.602 -8.732 -8.878 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.024 -6.178 -10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.887 -9.119 -9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.271 -8.492 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.796 -5.376 -11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.220 -6.392 -11.729 1.00 0.00 H new ATOM 659 N HIS A 39 -7.287 -8.326 -5.985 1.00 0.00 N ATOM 660 CA HIS A 39 -7.121 -9.091 -4.717 1.00 0.00 C ATOM 661 C HIS A 39 -5.650 -9.084 -4.314 1.00 0.00 C ATOM 662 O HIS A 39 -4.765 -9.164 -5.143 1.00 0.00 O ATOM 663 CB HIS A 39 -7.598 -10.529 -4.915 1.00 0.00 C ATOM 664 CG HIS A 39 -9.083 -10.598 -4.680 1.00 0.00 C ATOM 665 ND1 HIS A 39 -10.005 -10.231 -5.649 1.00 0.00 N ATOM 666 CD2 HIS A 39 -9.823 -10.985 -3.588 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.234 -10.404 -5.129 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.176 -10.861 -3.878 1.00 0.00 N ATOM 0 H HIS A 39 -7.272 -8.885 -6.838 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.715 -8.626 -3.930 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.362 -10.867 -5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.078 -11.195 -4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.416 -11.332 -2.650 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.152 -10.198 -5.659 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.961 -11.075 -3.263 1.00 0.00 H new ATOM 677 N SER A 40 -5.380 -8.977 -3.043 1.00 0.00 N ATOM 678 CA SER A 40 -3.967 -8.949 -2.583 1.00 0.00 C ATOM 679 C SER A 40 -3.279 -10.257 -2.947 1.00 0.00 C ATOM 680 O SER A 40 -3.852 -11.323 -2.866 1.00 0.00 O ATOM 681 CB SER A 40 -3.926 -8.769 -1.065 1.00 0.00 C ATOM 682 OG SER A 40 -2.658 -8.252 -0.687 1.00 0.00 O ATOM 0 H SER A 40 -6.079 -8.908 -2.303 1.00 0.00 H new ATOM 0 HA SER A 40 -3.452 -8.119 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.718 -8.091 -0.746 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.105 -9.723 -0.569 1.00 0.00 H new ATOM 0 HG SER A 40 -2.682 -7.985 0.256 1.00 0.00 H new ATOM 688 N GLY A 41 -2.045 -10.183 -3.339 1.00 0.00 N ATOM 689 CA GLY A 41 -1.309 -11.418 -3.698 1.00 0.00 C ATOM 690 C GLY A 41 -1.304 -11.602 -5.214 1.00 0.00 C ATOM 691 O GLY A 41 -0.723 -12.537 -5.729 1.00 0.00 O ATOM 0 H GLY A 41 -1.512 -9.318 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.286 -11.362 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.774 -12.280 -3.220 1.00 0.00 H new ATOM 695 N GLN A 42 -1.944 -10.722 -5.934 1.00 0.00 N ATOM 696 CA GLN A 42 -1.969 -10.859 -7.416 1.00 0.00 C ATOM 697 C GLN A 42 -1.017 -9.842 -8.047 1.00 0.00 C ATOM 698 O GLN A 42 -1.197 -8.646 -7.929 1.00 0.00 O ATOM 699 CB GLN A 42 -3.394 -10.625 -7.920 1.00 0.00 C ATOM 700 CG GLN A 42 -4.289 -11.754 -7.409 1.00 0.00 C ATOM 701 CD GLN A 42 -5.730 -11.512 -7.861 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.075 -10.422 -8.273 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.592 -12.489 -7.802 1.00 0.00 N ATOM 0 H GLN A 42 -2.448 -9.918 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.647 -11.862 -7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.765 -9.662 -7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.409 -10.595 -9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.935 -12.712 -7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.242 -11.805 -6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.303 -13.404 -7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.555 -12.338 -8.102 1.00 0.00 H new ATOM 712 N ALA A 43 -0.005 -10.314 -8.725 1.00 0.00 N ATOM 713 CA ALA A 43 0.961 -9.386 -9.375 1.00 0.00 C ATOM 714 C ALA A 43 1.498 -10.028 -10.655 1.00 0.00 C ATOM 715 O ALA A 43 1.718 -11.222 -10.719 1.00 0.00 O ATOM 716 CB ALA A 43 2.124 -9.105 -8.420 1.00 0.00 C ATOM 0 H ALA A 43 0.193 -11.306 -8.856 1.00 0.00 H new ATOM 0 HA ALA A 43 0.458 -8.450 -9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.830 -8.426 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.743 -8.649 -7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.628 -10.040 -8.176 1.00 0.00 H new ATOM 722 N GLU A 44 1.714 -9.245 -11.675 1.00 0.00 N ATOM 723 CA GLU A 44 2.240 -9.804 -12.951 1.00 0.00 C ATOM 724 C GLU A 44 3.764 -9.888 -12.882 1.00 0.00 C ATOM 725 O GLU A 44 4.361 -10.875 -13.264 1.00 0.00 O ATOM 726 CB GLU A 44 1.831 -8.898 -14.113 1.00 0.00 C ATOM 727 CG GLU A 44 2.260 -9.536 -15.435 1.00 0.00 C ATOM 728 CD GLU A 44 1.946 -8.583 -16.590 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.444 -7.505 -16.322 1.00 0.00 O ATOM 730 OE2 GLU A 44 2.213 -8.949 -17.723 1.00 0.00 O ATOM 0 H GLU A 44 1.548 -8.239 -11.680 1.00 0.00 H new ATOM 0 HA GLU A 44 1.828 -10.801 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.752 -8.744 -14.105 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.294 -7.917 -14.003 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.327 -9.759 -15.414 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.739 -10.483 -15.579 1.00 0.00 H new ATOM 737 N GLY A 45 4.399 -8.853 -12.402 1.00 0.00 N ATOM 738 CA GLY A 45 5.884 -8.867 -12.314 1.00 0.00 C ATOM 739 C GLY A 45 6.338 -10.047 -11.457 1.00 0.00 C ATOM 740 O GLY A 45 7.233 -10.784 -11.823 1.00 0.00 O ATOM 0 H GLY A 45 3.952 -7.999 -12.068 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.316 -8.942 -13.312 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.241 -7.932 -11.882 1.00 0.00 H new ATOM 744 N TYR A 46 5.730 -10.236 -10.318 1.00 0.00 N ATOM 745 CA TYR A 46 6.132 -11.374 -9.446 1.00 0.00 C ATOM 746 C TYR A 46 4.966 -11.785 -8.552 1.00 0.00 C ATOM 747 O TYR A 46 4.102 -10.992 -8.236 1.00 0.00 O ATOM 748 CB TYR A 46 7.326 -10.958 -8.580 1.00 0.00 C ATOM 749 CG TYR A 46 7.503 -11.929 -7.431 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.508 -13.310 -7.663 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.659 -11.441 -6.128 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.671 -14.198 -6.591 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.822 -12.327 -5.059 1.00 0.00 C ATOM 754 CZ TYR A 46 7.829 -13.706 -5.290 1.00 0.00 C ATOM 755 OH TYR A 46 7.990 -14.582 -4.235 1.00 0.00 O ATOM 0 H TYR A 46 4.975 -9.654 -9.955 1.00 0.00 H new ATOM 0 HA TYR A 46 6.414 -12.221 -10.071 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.232 -10.931 -9.186 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.171 -9.951 -8.194 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.386 -13.690 -8.667 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.653 -10.376 -5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.675 -15.263 -6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.942 -11.947 -4.055 1.00 0.00 H new ATOM 0 HH TYR A 46 8.087 -14.076 -3.401 1.00 0.00 H new ATOM 765 N SER A 47 4.939 -13.020 -8.133 1.00 0.00 N ATOM 766 CA SER A 47 3.835 -13.478 -7.250 1.00 0.00 C ATOM 767 C SER A 47 4.237 -13.216 -5.799 1.00 0.00 C ATOM 768 O SER A 47 5.316 -13.562 -5.372 1.00 0.00 O ATOM 769 CB SER A 47 3.601 -14.975 -7.462 1.00 0.00 C ATOM 770 OG SER A 47 2.299 -15.317 -7.007 1.00 0.00 O ATOM 0 H SER A 47 5.634 -13.730 -8.365 1.00 0.00 H new ATOM 0 HA SER A 47 2.916 -12.941 -7.483 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.707 -15.225 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.351 -15.552 -6.921 1.00 0.00 H new ATOM 0 HG SER A 47 2.146 -16.275 -7.143 1.00 0.00 H new ATOM 776 N TYR A 48 3.382 -12.597 -5.042 1.00 0.00 N ATOM 777 CA TYR A 48 3.718 -12.293 -3.623 1.00 0.00 C ATOM 778 C TYR A 48 4.140 -13.568 -2.889 1.00 0.00 C ATOM 779 O TYR A 48 4.252 -14.629 -3.471 1.00 0.00 O ATOM 780 CB TYR A 48 2.496 -11.698 -2.935 1.00 0.00 C ATOM 781 CG TYR A 48 2.172 -10.350 -3.540 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.489 -10.271 -4.760 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.548 -9.177 -2.874 1.00 0.00 C ATOM 784 CE1 TYR A 48 1.183 -9.020 -5.312 1.00 0.00 C ATOM 785 CE2 TYR A 48 2.245 -7.929 -3.427 1.00 0.00 C ATOM 786 CZ TYR A 48 1.561 -7.850 -4.646 1.00 0.00 C ATOM 787 OH TYR A 48 1.260 -6.618 -5.189 1.00 0.00 O ATOM 0 H TYR A 48 2.459 -12.285 -5.344 1.00 0.00 H new ATOM 0 HA TYR A 48 4.544 -11.583 -3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.644 -12.369 -3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.685 -11.591 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.198 -11.174 -5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.073 -9.236 -1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.655 -8.959 -6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.539 -7.025 -2.913 1.00 0.00 H new ATOM 0 HH TYR A 48 0.590 -6.727 -5.896 1.00 0.00 H new ATOM 797 N THR A 49 4.380 -13.464 -1.609 1.00 0.00 N ATOM 798 CA THR A 49 4.798 -14.660 -0.822 1.00 0.00 C ATOM 799 C THR A 49 3.618 -15.624 -0.694 1.00 0.00 C ATOM 800 O THR A 49 2.475 -15.217 -0.620 1.00 0.00 O ATOM 801 CB THR A 49 5.251 -14.220 0.573 1.00 0.00 C ATOM 802 OG1 THR A 49 6.265 -13.233 0.449 1.00 0.00 O ATOM 803 CG2 THR A 49 5.800 -15.426 1.337 1.00 0.00 C ATOM 0 H THR A 49 4.304 -12.599 -1.073 1.00 0.00 H new ATOM 0 HA THR A 49 5.622 -15.160 -1.331 1.00 0.00 H new ATOM 0 HB THR A 49 4.403 -13.804 1.117 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.969 -12.404 0.879 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.122 -15.112 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.021 -16.183 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.649 -15.844 0.796 1.00 0.00 H new ATOM 811 N ASP A 50 3.883 -16.901 -0.675 1.00 0.00 N ATOM 812 CA ASP A 50 2.776 -17.891 -0.562 1.00 0.00 C ATOM 813 C ASP A 50 1.844 -17.498 0.585 1.00 0.00 C ATOM 814 O ASP A 50 0.641 -17.647 0.495 1.00 0.00 O ATOM 815 CB ASP A 50 3.361 -19.279 -0.289 1.00 0.00 C ATOM 816 CG ASP A 50 2.254 -20.329 -0.388 1.00 0.00 C ATOM 817 OD1 ASP A 50 1.148 -19.962 -0.752 1.00 0.00 O ATOM 818 OD2 ASP A 50 2.529 -21.481 -0.099 1.00 0.00 O ATOM 0 H ASP A 50 4.819 -17.302 -0.733 1.00 0.00 H new ATOM 0 HA ASP A 50 2.212 -17.907 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.151 -19.500 -1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.814 -19.306 0.702 1.00 0.00 H new ATOM 823 N ALA A 51 2.379 -16.994 1.664 1.00 0.00 N ATOM 824 CA ALA A 51 1.504 -16.596 2.804 1.00 0.00 C ATOM 825 C ALA A 51 0.578 -15.465 2.356 1.00 0.00 C ATOM 826 O ALA A 51 -0.626 -15.539 2.502 1.00 0.00 O ATOM 827 CB ALA A 51 2.371 -16.115 3.970 1.00 0.00 C ATOM 0 H ALA A 51 3.378 -16.841 1.805 1.00 0.00 H new ATOM 0 HA ALA A 51 0.909 -17.451 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.731 -15.824 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.035 -16.920 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.965 -15.258 3.652 1.00 0.00 H new ATOM 833 N ASN A 52 1.131 -14.425 1.798 1.00 0.00 N ATOM 834 CA ASN A 52 0.286 -13.292 1.324 1.00 0.00 C ATOM 835 C ASN A 52 -0.679 -13.791 0.248 1.00 0.00 C ATOM 836 O ASN A 52 -1.840 -13.438 0.228 1.00 0.00 O ATOM 837 CB ASN A 52 1.186 -12.200 0.736 1.00 0.00 C ATOM 838 CG ASN A 52 0.326 -11.051 0.210 1.00 0.00 C ATOM 839 OD1 ASN A 52 -0.884 -11.084 0.319 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.901 -10.025 -0.362 1.00 0.00 N ATOM 0 H ASN A 52 2.133 -14.310 1.649 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.283 -12.886 2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.874 -11.833 1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.793 -12.611 -0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.334 -9.254 -0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.916 -9.995 -0.454 1.00 0.00 H new ATOM 847 N ILE A 53 -0.203 -14.606 -0.649 1.00 0.00 N ATOM 848 CA ILE A 53 -1.089 -15.127 -1.727 1.00 0.00 C ATOM 849 C ILE A 53 -2.171 -16.022 -1.125 1.00 0.00 C ATOM 850 O ILE A 53 -3.314 -15.992 -1.538 1.00 0.00 O ATOM 851 CB ILE A 53 -0.255 -15.922 -2.724 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.810 -15.004 -3.327 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.160 -16.459 -3.835 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.726 -15.816 -4.242 1.00 0.00 C ATOM 0 H ILE A 53 0.762 -14.935 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.567 -14.292 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 53 0.226 -16.759 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.336 -14.200 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.393 -14.536 -2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.563 -17.028 -4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.922 -17.107 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.641 -15.626 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.484 -15.161 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.211 -16.604 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.137 -16.263 -5.043 1.00 0.00 H new ATOM 866 N LYS A 54 -1.829 -16.816 -0.148 1.00 0.00 N ATOM 867 CA LYS A 54 -2.851 -17.701 0.474 1.00 0.00 C ATOM 868 C LYS A 54 -3.999 -16.840 0.996 1.00 0.00 C ATOM 869 O LYS A 54 -5.159 -17.162 0.833 1.00 0.00 O ATOM 870 CB LYS A 54 -2.221 -18.469 1.633 1.00 0.00 C ATOM 871 CG LYS A 54 -3.259 -19.410 2.245 1.00 0.00 C ATOM 872 CD LYS A 54 -2.644 -20.141 3.440 1.00 0.00 C ATOM 873 CE LYS A 54 -3.628 -21.191 3.959 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.647 -22.356 3.030 1.00 0.00 N ATOM 0 H LYS A 54 -0.890 -16.890 0.244 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.227 -18.409 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.361 -19.039 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.855 -17.773 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.135 -18.845 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.597 -20.130 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.709 -20.618 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.404 -19.430 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.338 -21.514 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.626 -20.761 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.107 -23.164 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.176 -22.106 2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.672 -22.612 2.775 1.00 0.00 H new ATOM 888 N LYS A 55 -3.679 -15.741 1.617 1.00 0.00 N ATOM 889 CA LYS A 55 -4.734 -14.841 2.146 1.00 0.00 C ATOM 890 C LYS A 55 -4.857 -13.621 1.232 1.00 0.00 C ATOM 891 O LYS A 55 -3.911 -12.881 1.045 1.00 0.00 O ATOM 892 CB LYS A 55 -4.333 -14.390 3.549 1.00 0.00 C ATOM 893 CG LYS A 55 -4.368 -15.588 4.500 1.00 0.00 C ATOM 894 CD LYS A 55 -4.101 -15.114 5.929 1.00 0.00 C ATOM 895 CE LYS A 55 -3.996 -16.326 6.858 1.00 0.00 C ATOM 896 NZ LYS A 55 -5.083 -16.269 7.875 1.00 0.00 N ATOM 0 H LYS A 55 -2.723 -15.427 1.781 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.691 -15.362 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.333 -13.956 3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.012 -13.613 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.338 -16.081 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.620 -16.323 4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.179 -14.534 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.904 -14.456 6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.072 -17.247 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.023 -16.337 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.011 -17.093 8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.991 -15.396 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.007 -16.278 7.397 1.00 0.00 H new ATOM 910 N ASN A 56 -6.008 -13.397 0.659 1.00 0.00 N ATOM 911 CA ASN A 56 -6.160 -12.218 -0.239 1.00 0.00 C ATOM 912 C ASN A 56 -7.566 -11.635 -0.127 1.00 0.00 C ATOM 913 O ASN A 56 -8.521 -12.322 0.179 1.00 0.00 O ATOM 914 CB ASN A 56 -5.907 -12.642 -1.684 1.00 0.00 C ATOM 915 CG ASN A 56 -6.936 -13.694 -2.098 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.627 -14.245 -1.265 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.068 -13.997 -3.360 1.00 0.00 N ATOM 0 H ASN A 56 -6.842 -13.973 0.772 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.437 -11.458 0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.971 -11.777 -2.344 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.899 -13.045 -1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.752 -14.697 -3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.487 -13.534 -4.059 1.00 0.00 H new ATOM 924 N VAL A 57 -7.694 -10.363 -0.384 1.00 0.00 N ATOM 925 CA VAL A 57 -9.023 -9.705 -0.310 1.00 0.00 C ATOM 926 C VAL A 57 -9.121 -8.645 -1.407 1.00 0.00 C ATOM 927 O VAL A 57 -8.179 -7.920 -1.660 1.00 0.00 O ATOM 928 CB VAL A 57 -9.183 -9.039 1.055 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.551 -8.362 1.143 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.066 -10.096 2.156 1.00 0.00 C ATOM 0 H VAL A 57 -6.924 -9.747 -0.645 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.809 -10.448 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.401 -8.290 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.660 -7.888 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.634 -7.607 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.335 -9.108 1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.180 -9.621 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.846 -10.846 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.089 -10.575 2.098 1.00 0.00 H new ATOM 940 N LEU A 58 -10.250 -8.527 -2.051 1.00 0.00 N ATOM 941 CA LEU A 58 -10.372 -7.489 -3.107 1.00 0.00 C ATOM 942 C LEU A 58 -9.843 -6.181 -2.538 1.00 0.00 C ATOM 943 O LEU A 58 -9.999 -5.905 -1.365 1.00 0.00 O ATOM 944 CB LEU A 58 -11.835 -7.316 -3.503 1.00 0.00 C ATOM 945 CG LEU A 58 -11.943 -6.259 -4.606 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.280 -6.774 -5.885 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.419 -5.969 -4.881 1.00 0.00 C ATOM 0 H LEU A 58 -11.081 -9.097 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.805 -7.783 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.243 -8.265 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.424 -7.015 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.440 -5.347 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.360 -6.018 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.228 -6.985 -5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.779 -7.687 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.502 -5.217 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.916 -6.884 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.893 -5.599 -3.972 1.00 0.00 H new ATOM 959 N TRP A 59 -9.203 -5.380 -3.342 1.00 0.00 N ATOM 960 CA TRP A 59 -8.655 -4.110 -2.813 1.00 0.00 C ATOM 961 C TRP A 59 -9.568 -2.929 -3.143 1.00 0.00 C ATOM 962 O TRP A 59 -10.155 -2.848 -4.204 1.00 0.00 O ATOM 963 CB TRP A 59 -7.260 -3.879 -3.392 1.00 0.00 C ATOM 964 CG TRP A 59 -6.273 -4.654 -2.582 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.437 -5.605 -3.061 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.019 -4.569 -1.152 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.673 -6.092 -2.014 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.000 -5.488 -0.819 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.567 -3.786 -0.121 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.540 -5.626 0.489 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.108 -3.922 1.194 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.096 -4.841 1.500 1.00 0.00 C ATOM 0 H TRP A 59 -9.038 -5.551 -4.334 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.593 -4.185 -1.727 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.226 -4.196 -4.434 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.014 -2.817 -3.374 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.376 -5.930 -4.089 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.956 -6.810 -2.115 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.348 -3.074 -0.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.759 -6.335 0.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.537 -3.315 1.978 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.747 -4.942 2.517 1.00 0.00 H new ATOM 983 N ASP A 60 -9.677 -2.012 -2.221 1.00 0.00 N ATOM 984 CA ASP A 60 -10.535 -0.813 -2.426 1.00 0.00 C ATOM 985 C ASP A 60 -9.925 0.358 -1.652 1.00 0.00 C ATOM 986 O ASP A 60 -9.001 0.185 -0.881 1.00 0.00 O ATOM 987 CB ASP A 60 -11.946 -1.097 -1.905 1.00 0.00 C ATOM 988 CG ASP A 60 -12.888 0.027 -2.342 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.454 0.875 -3.105 1.00 0.00 O ATOM 990 OD2 ASP A 60 -14.028 0.021 -1.906 1.00 0.00 O ATOM 0 H ASP A 60 -9.200 -2.045 -1.320 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.592 -0.569 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.301 -2.053 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.935 -1.174 -0.818 1.00 0.00 H new ATOM 995 N GLU A 61 -10.418 1.547 -1.853 1.00 0.00 N ATOM 996 CA GLU A 61 -9.843 2.717 -1.129 1.00 0.00 C ATOM 997 C GLU A 61 -9.961 2.508 0.383 1.00 0.00 C ATOM 998 O GLU A 61 -9.063 2.834 1.136 1.00 0.00 O ATOM 999 CB GLU A 61 -10.614 3.980 -1.517 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.416 4.266 -3.004 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.165 5.544 -3.380 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.877 6.061 -2.535 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.016 5.985 -4.508 1.00 0.00 O ATOM 0 H GLU A 61 -11.191 1.760 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.792 2.821 -1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.674 3.852 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.267 4.826 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.354 4.375 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.782 3.429 -3.598 1.00 0.00 H new ATOM 1010 N ASN A 62 -11.062 1.979 0.836 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.235 1.764 2.302 1.00 0.00 C ATOM 1012 C ASN A 62 -10.368 0.596 2.780 1.00 0.00 C ATOM 1013 O ASN A 62 -9.729 0.669 3.810 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.705 1.454 2.597 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.576 2.632 2.157 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -14.607 2.443 1.542 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -13.202 3.848 2.447 1.00 0.00 N ATOM 0 H ASN A 62 -11.849 1.686 0.257 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.929 2.668 2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.009 0.548 2.072 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.841 1.266 3.662 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.775 4.641 2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.337 4.006 2.963 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.354 -0.489 2.053 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.547 -1.664 2.480 1.00 0.00 C ATOM 1026 C ASN A 63 -8.053 -1.329 2.471 1.00 0.00 C ATOM 1027 O ASN A 63 -7.322 -1.690 3.372 1.00 0.00 O ATOM 1028 CB ASN A 63 -9.811 -2.823 1.519 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.274 -3.258 1.632 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -11.944 -2.929 2.589 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -11.798 -3.989 0.687 1.00 0.00 N ATOM 0 H ASN A 63 -10.868 -0.611 1.181 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.834 -1.940 3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.589 -2.519 0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.153 -3.660 1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.772 -4.285 0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.234 -4.265 -0.117 1.00 0.00 H new ATOM 1038 N MET A 64 -7.591 -0.651 1.459 1.00 0.00 N ATOM 1039 CA MET A 64 -6.144 -0.309 1.388 1.00 0.00 C ATOM 1040 C MET A 64 -5.744 0.561 2.580 1.00 0.00 C ATOM 1041 O MET A 64 -4.658 0.436 3.107 1.00 0.00 O ATOM 1042 CB MET A 64 -5.865 0.435 0.079 1.00 0.00 C ATOM 1043 CG MET A 64 -5.972 -0.538 -1.098 1.00 0.00 C ATOM 1044 SD MET A 64 -4.690 -1.812 -0.963 1.00 0.00 S ATOM 1045 CE MET A 64 -3.255 -0.718 -1.060 1.00 0.00 C ATOM 0 H MET A 64 -8.154 -0.318 0.676 1.00 0.00 H new ATOM 0 HA MET A 64 -5.557 -1.227 1.419 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.576 1.252 -0.045 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.870 0.880 0.107 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.958 -1.002 -1.109 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.863 0.002 -2.039 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.551 -1.106 -1.796 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.578 0.280 -1.357 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.770 -0.667 -0.085 1.00 0.00 H new ATOM 1055 N SER A 65 -6.602 1.442 3.015 1.00 0.00 N ATOM 1056 CA SER A 65 -6.244 2.311 4.173 1.00 0.00 C ATOM 1057 C SER A 65 -5.961 1.440 5.402 1.00 0.00 C ATOM 1058 O SER A 65 -5.084 1.730 6.196 1.00 0.00 O ATOM 1059 CB SER A 65 -7.405 3.260 4.476 1.00 0.00 C ATOM 1060 OG SER A 65 -8.498 2.512 4.991 1.00 0.00 O ATOM 0 H SER A 65 -7.530 1.598 2.622 1.00 0.00 H new ATOM 0 HA SER A 65 -5.354 2.891 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.094 4.016 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.705 3.788 3.571 1.00 0.00 H new ATOM 0 HG SER A 65 -9.026 2.150 4.249 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.693 0.372 5.564 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.460 -0.511 6.740 1.00 0.00 C ATOM 1068 C GLU A 66 -5.066 -1.132 6.644 1.00 0.00 C ATOM 1069 O GLU A 66 -4.380 -1.294 7.633 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.513 -1.621 6.758 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.898 -1.009 6.976 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.942 -2.124 7.062 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.590 -3.260 6.786 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.074 -1.824 7.403 1.00 0.00 O ATOM 0 H GLU A 66 -7.439 0.074 4.936 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.533 0.076 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.491 -2.172 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.290 -2.335 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.906 -0.418 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.141 -0.332 6.157 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.641 -1.481 5.460 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.291 -2.092 5.307 1.00 0.00 C ATOM 1083 C TYR A 67 -2.218 -1.084 5.717 1.00 0.00 C ATOM 1084 O TYR A 67 -1.233 -1.430 6.337 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.065 -2.496 3.851 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.761 -3.248 3.750 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -1.736 -4.634 3.952 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -0.577 -2.559 3.466 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.525 -5.332 3.867 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.633 -3.258 3.381 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.660 -4.644 3.582 1.00 0.00 C ATOM 1092 OH TYR A 67 1.853 -5.330 3.499 1.00 0.00 O ATOM 0 H TYR A 67 -5.169 -1.370 4.594 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.229 -2.974 5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.888 -3.119 3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.041 -1.612 3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.651 -5.164 4.173 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.596 -1.490 3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.505 -6.401 4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.547 -2.728 3.160 1.00 0.00 H new ATOM 0 HH TYR A 67 1.824 -6.110 4.092 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.391 0.159 5.368 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.373 1.175 5.733 1.00 0.00 C ATOM 1104 C LEU A 68 -1.150 1.146 7.242 1.00 0.00 C ATOM 1105 O LEU A 68 -0.044 1.308 7.719 1.00 0.00 O ATOM 1106 CB LEU A 68 -1.865 2.554 5.303 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.150 2.537 3.803 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.656 3.907 3.360 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -0.863 2.205 3.048 1.00 0.00 C ATOM 0 H LEU A 68 -3.193 0.513 4.846 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.431 0.957 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.767 2.820 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.115 3.310 5.535 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.908 1.784 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.858 3.891 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.572 4.148 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.899 4.661 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.063 2.192 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.108 2.960 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.500 1.226 3.361 1.00 0.00 H new ATOM 1121 N THR A 69 -2.186 0.929 8.000 1.00 0.00 N ATOM 1122 CA THR A 69 -2.020 0.875 9.473 1.00 0.00 C ATOM 1123 C THR A 69 -0.963 -0.178 9.817 1.00 0.00 C ATOM 1124 O THR A 69 -0.135 0.015 10.685 1.00 0.00 O ATOM 1125 CB THR A 69 -3.356 0.496 10.112 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.368 1.377 9.647 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.241 0.606 11.627 1.00 0.00 C ATOM 0 H THR A 69 -3.138 0.787 7.662 1.00 0.00 H new ATOM 0 HA THR A 69 -1.701 1.846 9.851 1.00 0.00 H new ATOM 0 HB THR A 69 -3.614 -0.528 9.841 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.226 1.134 10.054 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.193 0.336 12.085 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.463 -0.069 11.983 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.985 1.630 11.899 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.982 -1.289 9.131 1.00 0.00 N ATOM 1136 CA ASN A 70 0.024 -2.357 9.400 1.00 0.00 C ATOM 1137 C ASN A 70 0.308 -3.106 8.095 1.00 0.00 C ATOM 1138 O ASN A 70 -0.589 -3.387 7.326 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.532 -3.330 10.441 1.00 0.00 C ATOM 1140 CG ASN A 70 0.611 -3.902 11.284 1.00 0.00 C ATOM 1141 OD1 ASN A 70 1.643 -3.278 11.439 1.00 0.00 O ATOM 1142 ND2 ASN A 70 0.471 -5.075 11.840 1.00 0.00 N ATOM 0 H ASN A 70 -1.653 -1.504 8.393 1.00 0.00 H new ATOM 0 HA ASN A 70 0.945 -1.915 9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.248 -2.818 11.084 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.069 -4.138 9.945 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.226 -5.466 12.403 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.394 -5.600 11.711 1.00 0.00 H new ATOM 1149 N HIS A 71 1.545 -3.429 7.829 1.00 0.00 N ATOM 1150 CA HIS A 71 1.863 -4.149 6.562 1.00 0.00 C ATOM 1151 C HIS A 71 1.192 -5.526 6.544 1.00 0.00 C ATOM 1152 O HIS A 71 1.523 -6.373 5.739 1.00 0.00 O ATOM 1153 CB HIS A 71 3.379 -4.321 6.423 1.00 0.00 C ATOM 1154 CG HIS A 71 3.887 -3.399 5.347 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.117 -2.050 5.585 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.205 -3.607 4.022 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.549 -1.504 4.434 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.620 -2.406 3.461 1.00 0.00 N ATOM 0 H HIS A 71 2.344 -3.227 8.430 1.00 0.00 H new ATOM 0 HA HIS A 71 1.485 -3.559 5.727 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.870 -4.099 7.370 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.618 -5.355 6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.142 -4.552 3.503 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.806 -0.462 4.316 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.918 -2.249 2.498 1.00 0.00 H new ATOM 1166 N ALA A 72 0.255 -5.763 7.423 1.00 0.00 N ATOM 1167 CA ALA A 72 -0.420 -7.091 7.438 1.00 0.00 C ATOM 1168 C ALA A 72 -1.598 -7.061 8.413 1.00 0.00 C ATOM 1169 O ALA A 72 -1.913 -8.044 9.054 1.00 0.00 O ATOM 1170 CB ALA A 72 0.581 -8.149 7.886 1.00 0.00 C ATOM 0 H ALA A 72 -0.070 -5.099 8.126 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.788 -7.326 6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.097 -9.125 7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.422 -8.171 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.942 -7.908 8.886 1.00 0.00 H new ATOM 1176 N LYS A 73 -2.250 -5.939 8.533 1.00 0.00 N ATOM 1177 CA LYS A 73 -3.405 -5.841 9.471 1.00 0.00 C ATOM 1178 C LYS A 73 -4.467 -6.881 9.094 1.00 0.00 C ATOM 1179 O LYS A 73 -5.049 -7.518 9.950 1.00 0.00 O ATOM 1180 CB LYS A 73 -4.012 -4.434 9.381 1.00 0.00 C ATOM 1181 CG LYS A 73 -5.127 -4.266 10.422 1.00 0.00 C ATOM 1182 CD LYS A 73 -4.516 -3.979 11.798 1.00 0.00 C ATOM 1183 CE LYS A 73 -5.626 -3.591 12.776 1.00 0.00 C ATOM 1184 NZ LYS A 73 -6.780 -4.520 12.612 1.00 0.00 N ATOM 0 H LYS A 73 -2.033 -5.083 8.022 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.063 -6.029 10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.237 -3.685 9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.411 -4.266 8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.789 -3.450 10.131 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.735 -5.170 10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.986 -4.858 12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.785 -3.174 11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.254 -3.633 13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.943 -2.564 12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.365 -4.503 13.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.353 -4.221 11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.428 -5.486 12.452 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.724 -7.053 7.825 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.752 -8.049 7.395 1.00 0.00 C ATOM 1200 C TYR A 74 -5.085 -9.206 6.650 1.00 0.00 C ATOM 1201 O TYR A 74 -5.747 -10.019 6.038 1.00 0.00 O ATOM 1202 CB TYR A 74 -6.762 -7.370 6.468 1.00 0.00 C ATOM 1203 CG TYR A 74 -7.791 -6.634 7.291 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.476 -5.399 7.869 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -9.065 -7.187 7.474 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -8.433 -4.717 8.631 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -10.022 -6.507 8.234 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.706 -5.271 8.813 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.650 -4.601 9.565 1.00 0.00 O ATOM 0 H TYR A 74 -4.267 -6.547 7.066 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.260 -8.437 8.278 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.250 -6.675 5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.250 -8.114 5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.494 -4.972 7.727 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.309 -8.140 7.028 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.189 -3.764 9.078 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.004 -6.934 8.374 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.479 -5.123 9.590 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.782 -9.290 6.693 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.086 -10.400 5.981 1.00 0.00 C ATOM 1221 C ILE A 75 -2.051 -11.047 6.903 1.00 0.00 C ATOM 1222 O ILE A 75 -0.860 -10.907 6.706 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.370 -9.856 4.746 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -3.176 -8.717 4.124 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.213 -10.974 3.715 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -2.397 -8.166 2.930 1.00 0.00 C ATOM 0 H ILE A 75 -3.172 -8.640 7.189 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.828 -11.141 5.684 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.391 -9.482 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.154 -9.076 3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.349 -7.931 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.702 -10.587 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.628 -11.787 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.197 -11.347 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.959 -7.351 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.429 -7.795 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.247 -8.958 2.197 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.492 -11.762 7.897 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.572 -12.443 8.844 1.00 0.00 C ATOM 1240 C PRO A 76 -0.589 -13.354 8.110 1.00 0.00 C ATOM 1241 O PRO A 76 -0.957 -14.099 7.224 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.496 -13.261 9.750 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.853 -12.651 9.608 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.904 -11.995 8.227 1.00 0.00 C ATOM 0 HA PRO A 76 -0.960 -11.733 9.400 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.506 -14.310 9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.158 -13.226 10.786 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.629 -13.410 9.704 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.029 -11.914 10.392 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.384 -12.643 7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.469 -11.063 8.247 1.00 0.00 H new ATOM 1252 N GLY A 77 0.662 -13.290 8.465 1.00 0.00 N ATOM 1253 CA GLY A 77 1.673 -14.138 7.782 1.00 0.00 C ATOM 1254 C GLY A 77 2.340 -13.322 6.675 1.00 0.00 C ATOM 1255 O GLY A 77 3.332 -13.727 6.103 1.00 0.00 O ATOM 0 H GLY A 77 1.028 -12.685 9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.420 -14.484 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.199 -15.025 7.362 1.00 0.00 H new ATOM 1259 N THR A 78 1.801 -12.170 6.367 1.00 0.00 N ATOM 1260 CA THR A 78 2.404 -11.329 5.301 1.00 0.00 C ATOM 1261 C THR A 78 3.697 -10.690 5.818 1.00 0.00 C ATOM 1262 O THR A 78 3.813 -10.358 6.981 1.00 0.00 O ATOM 1263 CB THR A 78 1.409 -10.247 4.888 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.267 -10.864 4.317 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.052 -9.315 3.863 1.00 0.00 C ATOM 0 H THR A 78 0.969 -11.779 6.810 1.00 0.00 H new ATOM 0 HA THR A 78 2.640 -11.947 4.435 1.00 0.00 H new ATOM 0 HB THR A 78 1.118 -9.666 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.306 -11.215 5.030 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.337 -8.545 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.933 -8.845 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.345 -9.888 2.984 1.00 0.00 H new ATOM 1273 N LYS A 79 4.674 -10.528 4.966 1.00 0.00 N ATOM 1274 CA LYS A 79 5.964 -9.924 5.411 1.00 0.00 C ATOM 1275 C LYS A 79 5.721 -8.499 5.913 1.00 0.00 C ATOM 1276 O LYS A 79 4.924 -7.764 5.366 1.00 0.00 O ATOM 1277 CB LYS A 79 6.940 -9.883 4.232 1.00 0.00 C ATOM 1278 CG LYS A 79 7.218 -11.304 3.739 1.00 0.00 C ATOM 1279 CD LYS A 79 8.269 -11.259 2.626 1.00 0.00 C ATOM 1280 CE LYS A 79 8.442 -12.654 2.022 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.751 -13.222 2.450 1.00 0.00 N ATOM 0 H LYS A 79 4.635 -10.788 3.980 1.00 0.00 H new ATOM 0 HA LYS A 79 6.384 -10.526 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.523 -9.283 3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.871 -9.405 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.571 -11.924 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.299 -11.759 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.964 -10.553 1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.220 -10.905 3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.629 -13.305 2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.395 -12.599 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.869 -14.170 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.521 -12.605 2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.778 -13.288 3.488 1.00 0.00 H new ATOM 1295 N MET A 80 6.405 -8.104 6.954 1.00 0.00 N ATOM 1296 CA MET A 80 6.221 -6.728 7.498 1.00 0.00 C ATOM 1297 C MET A 80 7.595 -6.101 7.751 1.00 0.00 C ATOM 1298 O MET A 80 8.558 -6.792 8.018 1.00 0.00 O ATOM 1299 CB MET A 80 5.448 -6.812 8.815 1.00 0.00 C ATOM 1300 CG MET A 80 4.102 -7.496 8.571 1.00 0.00 C ATOM 1301 SD MET A 80 3.111 -7.456 10.086 1.00 0.00 S ATOM 1302 CE MET A 80 2.555 -5.738 9.963 1.00 0.00 C ATOM 0 H MET A 80 7.085 -8.678 7.452 1.00 0.00 H new ATOM 0 HA MET A 80 5.667 -6.116 6.786 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.024 -7.371 9.553 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.292 -5.813 9.222 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.569 -6.994 7.764 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.260 -8.527 8.256 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.802 -5.209 10.883 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.052 -5.254 9.122 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.476 -5.715 9.809 1.00 0.00 H new ATOM 1312 N ALA A 81 7.702 -4.799 7.672 1.00 0.00 N ATOM 1313 CA ALA A 81 9.027 -4.157 7.914 1.00 0.00 C ATOM 1314 C ALA A 81 8.864 -2.645 8.096 1.00 0.00 C ATOM 1315 O ALA A 81 9.450 -2.055 8.981 1.00 0.00 O ATOM 1316 CB ALA A 81 9.943 -4.427 6.719 1.00 0.00 C ATOM 0 H ALA A 81 6.938 -4.160 7.453 1.00 0.00 H new ATOM 0 HA ALA A 81 9.462 -4.576 8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.913 -3.960 6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.075 -5.502 6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.495 -4.012 5.816 1.00 0.00 H new ATOM 1322 N PHE A 82 8.089 -2.006 7.262 1.00 0.00 N ATOM 1323 CA PHE A 82 7.918 -0.530 7.391 1.00 0.00 C ATOM 1324 C PHE A 82 7.054 -0.198 8.610 1.00 0.00 C ATOM 1325 O PHE A 82 7.468 -0.351 9.742 1.00 0.00 O ATOM 1326 CB PHE A 82 7.236 0.018 6.138 1.00 0.00 C ATOM 1327 CG PHE A 82 6.912 1.477 6.319 1.00 0.00 C ATOM 1328 CD1 PHE A 82 7.915 2.393 6.665 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.602 1.915 6.128 1.00 0.00 C ATOM 1330 CE1 PHE A 82 7.601 3.746 6.818 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.289 3.263 6.279 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.286 4.183 6.624 1.00 0.00 C ATOM 0 H PHE A 82 7.569 -2.440 6.500 1.00 0.00 H new ATOM 0 HA PHE A 82 8.901 -0.076 7.512 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.887 -0.113 5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.323 -0.543 5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.929 2.053 6.813 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.830 1.208 5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.372 4.453 7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.274 3.600 6.130 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.041 5.228 6.740 1.00 0.00 H new ATOM 1342 N GLY A 83 5.856 0.270 8.379 1.00 0.00 N ATOM 1343 CA GLY A 83 4.958 0.630 9.512 1.00 0.00 C ATOM 1344 C GLY A 83 5.314 2.033 10.008 1.00 0.00 C ATOM 1345 O GLY A 83 6.134 2.715 9.424 1.00 0.00 O ATOM 0 H GLY A 83 5.461 0.418 7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.917 0.598 9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.065 -0.093 10.321 1.00 0.00 H new ATOM 1349 N GLY A 84 4.718 2.468 11.083 1.00 0.00 N ATOM 1350 CA GLY A 84 5.041 3.823 11.616 1.00 0.00 C ATOM 1351 C GLY A 84 3.969 4.836 11.198 1.00 0.00 C ATOM 1352 O GLY A 84 3.990 5.975 11.622 1.00 0.00 O ATOM 0 H GLY A 84 4.022 1.946 11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.109 3.785 12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.015 4.143 11.246 1.00 0.00 H new ATOM 1356 N LEU A 85 3.033 4.445 10.376 1.00 0.00 N ATOM 1357 CA LEU A 85 1.978 5.404 9.951 1.00 0.00 C ATOM 1358 C LEU A 85 0.885 5.466 11.017 1.00 0.00 C ATOM 1359 O LEU A 85 -0.282 5.614 10.714 1.00 0.00 O ATOM 1360 CB LEU A 85 1.370 4.940 8.630 1.00 0.00 C ATOM 1361 CG LEU A 85 2.480 4.564 7.645 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.855 4.239 6.293 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.465 5.727 7.480 1.00 0.00 C ATOM 0 H LEU A 85 2.955 3.507 9.983 1.00 0.00 H new ATOM 0 HA LEU A 85 2.418 6.393 9.823 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.719 4.083 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.751 5.731 8.208 1.00 0.00 H new ATOM 0 HG LEU A 85 3.019 3.698 8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.639 3.970 5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.163 3.404 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.315 5.111 5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.248 5.444 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.936 6.601 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.913 5.964 8.445 1.00 0.00 H new ATOM 1375 N LYS A 86 1.251 5.356 12.263 1.00 0.00 N ATOM 1376 CA LYS A 86 0.229 5.411 13.342 1.00 0.00 C ATOM 1377 C LYS A 86 -0.638 6.655 13.144 1.00 0.00 C ATOM 1378 O LYS A 86 -1.805 6.671 13.482 1.00 0.00 O ATOM 1379 CB LYS A 86 0.924 5.485 14.705 1.00 0.00 C ATOM 1380 CG LYS A 86 -0.123 5.416 15.817 1.00 0.00 C ATOM 1381 CD LYS A 86 0.565 5.554 17.176 1.00 0.00 C ATOM 1382 CE LYS A 86 -0.462 5.346 18.293 1.00 0.00 C ATOM 1383 NZ LYS A 86 0.061 4.347 19.267 1.00 0.00 N ATOM 0 H LYS A 86 2.212 5.231 12.580 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.393 4.517 13.304 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.634 4.664 14.808 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.494 6.411 14.785 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.859 6.210 15.688 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.662 4.470 15.765 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.368 4.822 17.265 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.021 6.540 17.266 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.663 6.291 18.797 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.407 5.001 17.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.635 4.205 20.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.232 3.444 18.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.952 4.694 19.675 1.00 0.00 H new ATOM 1397 N LYS A 87 -0.078 7.696 12.591 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.874 8.934 12.365 1.00 0.00 C ATOM 1399 C LYS A 87 -1.769 8.741 11.139 1.00 0.00 C ATOM 1400 O LYS A 87 -1.325 8.313 10.093 1.00 0.00 O ATOM 1401 CB LYS A 87 0.073 10.113 12.125 1.00 0.00 C ATOM 1402 CG LYS A 87 0.910 10.363 13.382 1.00 0.00 C ATOM 1403 CD LYS A 87 1.775 11.608 13.179 1.00 0.00 C ATOM 1404 CE LYS A 87 2.700 11.789 14.384 1.00 0.00 C ATOM 1405 NZ LYS A 87 3.518 10.558 14.572 1.00 0.00 N ATOM 0 H LYS A 87 0.894 7.742 12.287 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.491 9.138 13.240 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.725 9.902 11.278 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.499 11.006 11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.258 10.497 14.245 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.541 9.499 13.590 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.364 11.510 12.267 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.143 12.487 13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.350 12.650 14.231 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.112 11.988 15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.398 10.799 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.981 9.866 15.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.747 10.148 13.644 1.00 0.00 H new ATOM 1419 N GLU A 88 -3.030 9.051 11.265 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.965 8.884 10.116 1.00 0.00 C ATOM 1421 C GLU A 88 -3.551 9.801 8.961 1.00 0.00 C ATOM 1422 O GLU A 88 -3.833 9.530 7.811 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.382 9.238 10.561 1.00 0.00 C ATOM 1424 CG GLU A 88 -6.365 8.932 9.430 1.00 0.00 C ATOM 1425 CD GLU A 88 -7.770 9.379 9.839 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.908 9.905 10.930 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -8.684 9.186 9.053 1.00 0.00 O ATOM 0 H GLU A 88 -3.455 9.414 12.118 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.931 7.848 9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.648 8.668 11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.437 10.293 10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.059 9.447 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.361 7.864 9.210 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.904 10.894 9.257 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.497 11.835 8.178 1.00 0.00 C ATOM 1436 C LYS A 89 -1.667 11.109 7.117 1.00 0.00 C ATOM 1437 O LYS A 89 -1.867 11.290 5.933 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.662 12.961 8.788 1.00 0.00 C ATOM 1439 CG LYS A 89 -2.533 13.787 9.738 1.00 0.00 C ATOM 1440 CD LYS A 89 -1.729 14.979 10.260 1.00 0.00 C ATOM 1441 CE LYS A 89 -2.554 15.737 11.301 1.00 0.00 C ATOM 1442 NZ LYS A 89 -4.004 15.490 11.062 1.00 0.00 N ATOM 0 H LYS A 89 -2.640 11.176 10.201 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.391 12.241 7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.811 12.545 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.260 13.598 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.426 14.136 9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.869 13.169 10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.794 14.635 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.466 15.642 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.280 15.412 12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.341 16.804 11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.568 16.144 11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.221 15.644 10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.236 14.510 11.320 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.735 10.293 7.523 1.00 0.00 N ATOM 1457 CA ASP A 90 0.098 9.569 6.524 1.00 0.00 C ATOM 1458 C ASP A 90 -0.783 8.629 5.703 1.00 0.00 C ATOM 1459 O ASP A 90 -0.662 8.540 4.497 1.00 0.00 O ATOM 1460 CB ASP A 90 1.161 8.745 7.250 1.00 0.00 C ATOM 1461 CG ASP A 90 2.112 9.680 8.000 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.110 10.862 7.697 1.00 0.00 O ATOM 1463 OD2 ASP A 90 2.825 9.199 8.864 1.00 0.00 O ATOM 0 H ASP A 90 -0.515 10.097 8.499 1.00 0.00 H new ATOM 0 HA ASP A 90 0.576 10.293 5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.687 8.056 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.718 8.141 6.534 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.658 7.916 6.353 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.539 6.963 5.621 1.00 0.00 C ATOM 1470 C ARG A 91 -3.448 7.715 4.641 1.00 0.00 C ATOM 1471 O ARG A 91 -3.630 7.303 3.513 1.00 0.00 O ATOM 1472 CB ARG A 91 -3.411 6.214 6.630 1.00 0.00 C ATOM 1473 CG ARG A 91 -2.521 5.438 7.602 1.00 0.00 C ATOM 1474 CD ARG A 91 -3.397 4.609 8.544 1.00 0.00 C ATOM 1475 NE ARG A 91 -2.557 4.049 9.639 1.00 0.00 N ATOM 1476 CZ ARG A 91 -3.098 3.743 10.786 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -4.377 3.924 10.975 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -2.361 3.256 11.747 1.00 0.00 N ATOM 0 H ARG A 91 -1.802 7.951 7.362 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.916 6.265 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.037 6.918 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.081 5.530 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.843 4.786 7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.903 6.128 8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.190 5.230 8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.880 3.802 7.993 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.558 3.905 9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.954 4.305 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.799 3.684 11.872 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.361 3.114 11.601 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.785 3.017 12.644 1.00 0.00 H new ATOM 1492 N ASN A 92 -4.031 8.802 5.063 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.941 9.560 4.159 1.00 0.00 C ATOM 1494 C ASN A 92 -4.156 10.181 3.003 1.00 0.00 C ATOM 1495 O ASN A 92 -4.563 10.124 1.860 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.620 10.678 4.950 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.519 10.078 6.029 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.746 8.885 6.055 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -7.049 10.864 6.925 1.00 0.00 N ATOM 0 H ASN A 92 -3.917 9.199 5.996 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.685 8.872 3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.868 11.321 5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.209 11.304 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.655 10.477 7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.858 11.866 6.902 1.00 0.00 H new ATOM 1506 N ASP A 93 -3.044 10.789 3.296 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.240 11.435 2.221 1.00 0.00 C ATOM 1508 C ASP A 93 -1.735 10.384 1.231 1.00 0.00 C ATOM 1509 O ASP A 93 -1.699 10.609 0.037 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.050 12.158 2.852 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.557 13.307 3.727 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.719 13.654 3.600 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.773 13.820 4.508 1.00 0.00 O ATOM 0 H ASP A 93 -2.654 10.868 4.235 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.866 12.148 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.464 11.461 3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.390 12.543 2.074 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.337 9.244 1.714 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.822 8.182 0.804 1.00 0.00 C ATOM 1520 C LEU A 94 -1.879 7.789 -0.219 1.00 0.00 C ATOM 1521 O LEU A 94 -1.688 7.919 -1.411 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.466 6.944 1.621 1.00 0.00 C ATOM 1523 CG LEU A 94 1.040 6.885 1.840 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.332 6.030 3.070 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.705 6.257 0.613 1.00 0.00 C ATOM 0 H LEU A 94 -1.345 8.999 2.704 1.00 0.00 H new ATOM 0 HA LEU A 94 0.056 8.571 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.981 6.970 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.803 6.046 1.103 1.00 0.00 H new ATOM 0 HG LEU A 94 1.432 7.891 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.409 5.983 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.852 6.472 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.945 5.023 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.783 6.213 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.318 5.249 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.488 6.861 -0.268 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.982 7.287 0.242 1.00 0.00 N ATOM 1538 CA ILE A 95 -4.044 6.849 -0.687 1.00 0.00 C ATOM 1539 C ILE A 95 -4.421 7.990 -1.621 1.00 0.00 C ATOM 1540 O ILE A 95 -4.659 7.789 -2.795 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.242 6.398 0.130 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.757 5.348 1.132 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.282 5.787 -0.803 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.945 4.765 1.903 1.00 0.00 C ATOM 0 H ILE A 95 -3.194 7.161 1.232 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.692 6.019 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.693 7.239 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.228 4.552 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.048 5.798 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.145 5.461 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.597 6.531 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.849 4.931 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.587 4.019 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.456 5.563 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.638 4.297 1.204 1.00 0.00 H new ATOM 1556 N THR A 96 -4.452 9.191 -1.127 1.00 0.00 N ATOM 1557 CA THR A 96 -4.783 10.331 -2.006 1.00 0.00 C ATOM 1558 C THR A 96 -3.790 10.330 -3.170 1.00 0.00 C ATOM 1559 O THR A 96 -4.129 10.633 -4.297 1.00 0.00 O ATOM 1560 CB THR A 96 -4.656 11.631 -1.211 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.367 11.505 0.013 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.246 12.778 -2.021 1.00 0.00 C ATOM 0 H THR A 96 -4.262 9.429 -0.154 1.00 0.00 H new ATOM 0 HA THR A 96 -5.802 10.248 -2.384 1.00 0.00 H new ATOM 0 HB THR A 96 -3.605 11.832 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.755 11.205 0.717 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.157 13.706 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.706 12.873 -2.963 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.298 12.577 -2.224 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.562 9.976 -2.894 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.528 9.934 -3.964 1.00 0.00 C ATOM 1572 C TYR A 97 -1.620 8.611 -4.731 1.00 0.00 C ATOM 1573 O TYR A 97 -1.637 8.588 -5.945 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.143 10.063 -3.330 1.00 0.00 C ATOM 1575 CG TYR A 97 0.915 9.851 -4.383 1.00 0.00 C ATOM 1576 CD1 TYR A 97 1.315 10.912 -5.205 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.495 8.588 -4.538 1.00 0.00 C ATOM 1578 CE1 TYR A 97 2.296 10.706 -6.183 1.00 0.00 C ATOM 1579 CE2 TYR A 97 2.475 8.382 -5.514 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.877 9.442 -6.337 1.00 0.00 C ATOM 1581 OH TYR A 97 3.844 9.238 -7.300 1.00 0.00 O ATOM 0 H TYR A 97 -2.231 9.713 -1.966 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.694 10.758 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.029 11.048 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.028 9.331 -2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.868 11.888 -5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.186 7.771 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.604 11.523 -6.819 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.922 7.406 -5.633 1.00 0.00 H new ATOM 0 HH TYR A 97 4.142 8.305 -7.272 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.671 7.508 -4.034 1.00 0.00 N ATOM 1592 CA LEU A 98 -1.751 6.192 -4.734 1.00 0.00 C ATOM 1593 C LEU A 98 -2.930 6.209 -5.703 1.00 0.00 C ATOM 1594 O LEU A 98 -2.801 5.868 -6.862 1.00 0.00 O ATOM 1595 CB LEU A 98 -1.966 5.073 -3.712 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.826 5.071 -2.689 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.140 4.070 -1.576 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.472 4.659 -3.379 1.00 0.00 C ATOM 0 H LEU A 98 -1.661 7.460 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.822 6.017 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.921 5.211 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.012 4.110 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.719 6.069 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.329 4.069 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.070 4.354 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.246 3.073 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.285 4.657 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.359 3.660 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.700 5.366 -4.177 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.079 6.610 -5.238 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.265 6.657 -6.136 1.00 0.00 C ATOM 1612 C LYS A 99 -4.985 7.617 -7.294 1.00 0.00 C ATOM 1613 O LYS A 99 -5.347 7.364 -8.425 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.482 7.140 -5.351 1.00 0.00 C ATOM 1615 CG LYS A 99 -7.715 7.126 -6.257 1.00 0.00 C ATOM 1616 CD LYS A 99 -8.913 7.701 -5.501 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.170 7.568 -6.360 1.00 0.00 C ATOM 1618 NZ LYS A 99 -10.347 6.145 -6.766 1.00 0.00 N ATOM 0 H LYS A 99 -4.248 6.907 -4.277 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.465 5.660 -6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.647 6.499 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.307 8.147 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.525 7.712 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.930 6.107 -6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.048 7.174 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.735 8.749 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.042 7.909 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.088 8.202 -7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.318 6.000 -7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.674 5.914 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.173 5.526 -5.948 1.00 0.00 H new ATOM 1632 N LYS A 100 -4.342 8.717 -7.017 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.035 9.698 -8.097 1.00 0.00 C ATOM 1634 C LYS A 100 -3.167 9.026 -9.156 1.00 0.00 C ATOM 1635 O LYS A 100 -3.381 9.173 -10.342 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.266 10.874 -7.500 1.00 0.00 C ATOM 1637 CG LYS A 100 -3.172 12.003 -8.527 1.00 0.00 C ATOM 1638 CD LYS A 100 -2.352 13.156 -7.944 1.00 0.00 C ATOM 1639 CE LYS A 100 -2.388 14.347 -8.905 1.00 0.00 C ATOM 1640 NZ LYS A 100 -2.083 15.599 -8.155 1.00 0.00 N ATOM 0 H LYS A 100 -4.015 8.980 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.963 10.049 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.767 11.229 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.267 10.555 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.707 11.638 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.170 12.351 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.753 13.447 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.322 12.838 -7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.663 14.204 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.369 14.421 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.107 16.409 -8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.791 15.736 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.137 15.526 -7.728 1.00 0.00 H new ATOM 1654 N ALA A 101 -2.191 8.283 -8.725 1.00 0.00 N ATOM 1655 CA ALA A 101 -1.295 7.585 -9.690 1.00 0.00 C ATOM 1656 C ALA A 101 -2.076 6.454 -10.352 1.00 0.00 C ATOM 1657 O ALA A 101 -2.127 6.342 -11.562 1.00 0.00 O ATOM 1658 CB ALA A 101 -0.088 7.010 -8.947 1.00 0.00 C ATOM 0 H ALA A 101 -1.972 8.127 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.944 8.287 -10.447 1.00 0.00 H new ATOM 0 HB1 ALA A 101 0.566 6.500 -9.655 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.461 7.818 -8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.429 6.301 -8.192 1.00 0.00 H new ATOM 1664 N THR A 102 -2.700 5.625 -9.565 1.00 0.00 N ATOM 1665 CA THR A 102 -3.497 4.512 -10.142 1.00 0.00 C ATOM 1666 C THR A 102 -4.621 5.114 -10.982 1.00 0.00 C ATOM 1667 O THR A 102 -5.049 4.548 -11.968 1.00 0.00 O ATOM 1668 CB THR A 102 -4.093 3.667 -9.014 1.00 0.00 C ATOM 1669 OG1 THR A 102 -3.053 3.237 -8.147 1.00 0.00 O ATOM 1670 CG2 THR A 102 -4.802 2.447 -9.607 1.00 0.00 C ATOM 0 H THR A 102 -2.692 5.671 -8.546 1.00 0.00 H new ATOM 0 HA THR A 102 -2.864 3.876 -10.761 1.00 0.00 H new ATOM 0 HB THR A 102 -4.811 4.265 -8.453 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.817 3.964 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.226 1.846 -8.803 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.600 2.777 -10.272 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.086 1.848 -10.169 1.00 0.00 H new ATOM 1678 N GLU A 103 -5.101 6.264 -10.592 1.00 0.00 N ATOM 1679 CA GLU A 103 -6.198 6.913 -11.361 1.00 0.00 C ATOM 1680 C GLU A 103 -5.603 7.728 -12.511 1.00 0.00 C ATOM 1681 O GLU A 103 -5.113 8.823 -12.318 1.00 0.00 O ATOM 1682 CB GLU A 103 -6.993 7.838 -10.437 1.00 0.00 C ATOM 1683 CG GLU A 103 -8.199 8.402 -11.191 1.00 0.00 C ATOM 1684 CD GLU A 103 -8.935 9.405 -10.301 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.481 9.627 -9.190 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -9.940 9.935 -10.745 1.00 0.00 O ATOM 0 H GLU A 103 -4.780 6.781 -9.774 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.860 6.147 -11.764 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.326 7.290 -9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.358 8.651 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.872 8.888 -12.110 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.871 7.594 -11.479 1.00 0.00 H new