USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 935 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 101 SER OG : rot -93:sc= 1.24 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 THR OG1 : rot -20:sc= -0.152 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 43 THR OG1 : rot -49:sc= -2.84! USER MOD Set 3.2: A 57 ASN : amide:sc= 0 K(o=-2.8,f=-3.4) USER MOD Set 4.1: A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -8.45! C(o=-8.4!,f=-4.8!) USER MOD Single : A 1 ASN N :NH3+ -107:sc= 0.0906 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -61:sc= 0.476 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 42:sc= 0.81 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -0.0325 (180deg=-0.204) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 27 THR OG1 : rot -120:sc= -0.0437 USER MOD Single : A 31 TYR OH : rot 143:sc= 0.212 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 37 TYR OH : rot 180:sc= 0.641 USER MOD Single : A 40 SER OG : rot 3:sc= 0.906 USER MOD Single : A 41 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-2.3) USER MOD Single : A 42 SER OG : rot -12:sc= 0.762 USER MOD Single : A 44 GLN : amide:sc= -1.16! K(o=-1.2!,f=-0.019) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -11.9! C(o=-12!,f=-9.6!) USER MOD Single : A 50 SER OG : rot -57:sc= 0.129 USER MOD Single : A 56 TYR OH : rot 147:sc= 0.909 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -2.55! (180deg=-2.66!) USER MOD Single : A 67 HIS : no HD1:sc= -0.61 X(o=-0.61,f=-0.14) USER MOD Single : A 73 ASN : amide:sc= -4.47! C(o=-4.5!,f=-2.1!) USER MOD Single : A 75 GLN : amide:sc= -0.0751 K(o=-0.075,f=-0.65) USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= -2.07 (180deg=-2.46!) USER MOD Single : A 80 THR OG1 : rot -170:sc= 0 USER MOD Single : A 83 SER OG : rot 68:sc= 1.28 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -6.98! K(o=-7!,f=-2.3) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -98:sc= 1.7 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.43) USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.287 -1.340 -3.590 1.00 0.00 N ATOM 21 CA ASN A 1 31.063 -0.743 -3.067 1.00 0.00 C ATOM 22 C ASN A 1 29.823 -1.382 -3.685 1.00 0.00 C ATOM 23 O ASN A 1 29.923 -2.265 -4.537 1.00 0.00 O ATOM 24 CB ASN A 1 31.055 0.764 -3.320 1.00 0.00 C ATOM 25 CG ASN A 1 31.570 1.547 -2.131 1.00 0.00 C ATOM 26 OD1 ASN A 1 32.756 1.859 -2.041 1.00 0.00 O ATOM 27 ND2 ASN A 1 30.671 1.863 -1.206 1.00 0.00 N ATOM 0 H1 ASN A 1 32.718 -1.943 -2.861 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.063 -1.916 -4.427 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.954 -0.588 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 1 31.039 -0.926 -1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.668 0.987 -4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.040 1.086 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 1 30.954 2.386 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.698 1.582 -1.324 1.00 0.00 H new ATOM 34 N CYS A 2 28.654 -0.925 -3.245 1.00 0.00 N ATOM 35 CA CYS A 2 27.388 -1.453 -3.742 1.00 0.00 C ATOM 36 C CYS A 2 26.912 -0.711 -4.983 1.00 0.00 C ATOM 37 O CYS A 2 26.061 -1.210 -5.721 1.00 0.00 O ATOM 38 CB CYS A 2 26.321 -1.360 -2.656 1.00 0.00 C ATOM 39 SG CYS A 2 26.837 -0.408 -1.197 1.00 0.00 S ATOM 0 H CYS A 2 28.558 -0.190 -2.545 1.00 0.00 H new ATOM 0 HA CYS A 2 27.553 -2.495 -4.014 1.00 0.00 H new ATOM 0 HB2 CYS A 2 25.426 -0.903 -3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.047 -2.367 -2.342 1.00 0.00 H new ATOM 44 N GLY A 3 27.456 0.475 -5.215 1.00 0.00 N ATOM 45 CA GLY A 3 27.045 1.274 -6.353 1.00 0.00 C ATOM 46 C GLY A 3 25.934 2.239 -5.974 1.00 0.00 C ATOM 47 O GLY A 3 25.228 2.005 -4.992 1.00 0.00 O ATOM 0 H GLY A 3 28.178 0.900 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.899 1.832 -6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.704 0.620 -7.156 1.00 0.00 H new ATOM 51 N PRO A 4 25.753 3.339 -6.727 1.00 0.00 N ATOM 52 CA PRO A 4 24.712 4.333 -6.440 1.00 0.00 C ATOM 53 C PRO A 4 23.365 3.694 -6.096 1.00 0.00 C ATOM 54 O PRO A 4 22.891 2.810 -6.810 1.00 0.00 O ATOM 55 CB PRO A 4 24.626 5.120 -7.744 1.00 0.00 C ATOM 56 CG PRO A 4 26.012 5.064 -8.290 1.00 0.00 C ATOM 57 CD PRO A 4 26.547 3.704 -7.918 1.00 0.00 C ATOM 0 HA PRO A 4 24.952 4.944 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.907 4.675 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.307 6.148 -7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.012 5.201 -9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.631 5.856 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.414 2.985 -8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.613 3.739 -7.695 1.00 0.00 H new ATOM 65 N PRO A 5 22.735 4.140 -4.992 1.00 0.00 N ATOM 66 CA PRO A 5 21.442 3.606 -4.544 1.00 0.00 C ATOM 67 C PRO A 5 20.369 3.662 -5.626 1.00 0.00 C ATOM 68 O PRO A 5 20.233 4.663 -6.330 1.00 0.00 O ATOM 69 CB PRO A 5 21.060 4.519 -3.377 1.00 0.00 C ATOM 70 CG PRO A 5 22.354 5.054 -2.879 1.00 0.00 C ATOM 71 CD PRO A 5 23.231 5.196 -4.091 1.00 0.00 C ATOM 0 HA PRO A 5 21.519 2.552 -4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.398 5.322 -3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.533 3.967 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.215 6.014 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.801 4.379 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.139 6.185 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.283 5.054 -3.845 1.00 0.00 H new ATOM 79 N PRO A 6 19.593 2.575 -5.769 1.00 0.00 N ATOM 80 CA PRO A 6 18.518 2.494 -6.761 1.00 0.00 C ATOM 81 C PRO A 6 17.275 3.267 -6.334 1.00 0.00 C ATOM 82 O PRO A 6 17.197 3.842 -5.249 1.00 0.00 O ATOM 83 CB PRO A 6 18.214 0.997 -6.819 1.00 0.00 C ATOM 84 CG PRO A 6 18.575 0.481 -5.469 1.00 0.00 C ATOM 85 CD PRO A 6 19.713 1.335 -4.979 1.00 0.00 C ATOM 0 HA PRO A 6 18.810 2.928 -7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.163 0.816 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.796 0.505 -7.599 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.724 0.540 -4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 6 18.870 -0.567 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.632 1.533 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.675 0.850 -5.141 1.00 0.00 H new ATOM 93 N THR A 7 16.309 3.246 -7.247 1.00 0.00 N ATOM 94 CA THR A 7 15.028 3.907 -7.065 1.00 0.00 C ATOM 95 C THR A 7 13.974 2.875 -6.677 1.00 0.00 C ATOM 96 O THR A 7 12.997 2.684 -7.404 1.00 0.00 O ATOM 97 CB THR A 7 14.603 4.615 -8.366 1.00 0.00 C ATOM 98 OG1 THR A 7 13.327 5.241 -8.196 1.00 0.00 O ATOM 99 CG2 THR A 7 14.547 3.635 -9.530 1.00 0.00 C ATOM 0 H THR A 7 16.398 2.764 -8.142 1.00 0.00 H new ATOM 0 HA THR A 7 15.122 4.651 -6.274 1.00 0.00 H new ATOM 0 HB THR A 7 15.349 5.376 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.654 4.560 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.244 4.162 -10.435 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.531 3.192 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.825 2.849 -9.309 1.00 0.00 H new ATOM 107 N LEU A 8 14.156 2.205 -5.539 1.00 0.00 N ATOM 108 CA LEU A 8 13.216 1.162 -5.137 1.00 0.00 C ATOM 109 C LEU A 8 11.781 1.627 -5.339 1.00 0.00 C ATOM 110 O LEU A 8 11.361 2.628 -4.768 1.00 0.00 O ATOM 111 CB LEU A 8 13.418 0.788 -3.668 1.00 0.00 C ATOM 112 CG LEU A 8 14.731 0.077 -3.340 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.894 1.055 -3.382 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.638 -0.581 -1.974 1.00 0.00 C ATOM 0 H LEU A 8 14.929 2.362 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 8 13.405 0.288 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.359 1.697 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.592 0.148 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 8 14.908 -0.694 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.820 0.530 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.968 1.490 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.730 1.847 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.578 -1.085 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.443 0.178 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.827 -1.309 -1.975 1.00 0.00 H new ATOM 126 N SER A 9 11.036 0.911 -6.164 1.00 0.00 N ATOM 127 CA SER A 9 9.651 1.275 -6.418 1.00 0.00 C ATOM 128 C SER A 9 8.802 1.035 -5.175 1.00 0.00 C ATOM 129 O SER A 9 7.693 1.556 -5.062 1.00 0.00 O ATOM 130 CB SER A 9 9.094 0.480 -7.600 1.00 0.00 C ATOM 131 OG SER A 9 9.834 0.733 -8.781 1.00 0.00 O ATOM 0 H SER A 9 11.361 0.084 -6.664 1.00 0.00 H new ATOM 0 HA SER A 9 9.615 2.336 -6.667 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.122 -0.585 -7.371 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.049 0.744 -7.759 1.00 0.00 H new ATOM 0 HG SER A 9 9.458 0.211 -9.521 1.00 0.00 H new ATOM 137 N PHE A 10 9.338 0.251 -4.241 1.00 0.00 N ATOM 138 CA PHE A 10 8.629 -0.057 -3.003 1.00 0.00 C ATOM 139 C PHE A 10 9.231 0.692 -1.820 1.00 0.00 C ATOM 140 O PHE A 10 9.385 0.130 -0.734 1.00 0.00 O ATOM 141 CB PHE A 10 8.634 -1.565 -2.737 1.00 0.00 C ATOM 142 CG PHE A 10 9.826 -2.278 -3.307 1.00 0.00 C ATOM 143 CD1 PHE A 10 11.057 -2.210 -2.679 1.00 0.00 C ATOM 144 CD2 PHE A 10 9.711 -3.017 -4.474 1.00 0.00 C ATOM 145 CE1 PHE A 10 12.153 -2.866 -3.203 1.00 0.00 C ATOM 146 CE2 PHE A 10 10.803 -3.675 -5.002 1.00 0.00 C ATOM 147 CZ PHE A 10 12.026 -3.600 -4.366 1.00 0.00 C ATOM 0 H PHE A 10 10.259 -0.181 -4.319 1.00 0.00 H new ATOM 0 HA PHE A 10 7.597 0.273 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.602 -1.735 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.727 -2.001 -3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.162 -1.638 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.756 -3.078 -4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.109 -2.805 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.701 -4.248 -5.912 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.882 -4.114 -4.777 1.00 0.00 H new ATOM 157 N ALA A 11 9.528 1.972 -2.042 1.00 0.00 N ATOM 158 CA ALA A 11 10.108 2.852 -1.026 1.00 0.00 C ATOM 159 C ALA A 11 10.787 4.036 -1.701 1.00 0.00 C ATOM 160 O ALA A 11 11.273 3.948 -2.824 1.00 0.00 O ATOM 161 CB ALA A 11 11.098 2.114 -0.133 1.00 0.00 C ATOM 0 H ALA A 11 9.372 2.432 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 11 9.299 3.208 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.505 2.804 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.589 1.295 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.909 1.715 -0.742 1.00 0.00 H new ATOM 167 N ALA A 12 10.811 5.144 -0.976 1.00 0.00 N ATOM 168 CA ALA A 12 11.460 6.351 -1.470 1.00 0.00 C ATOM 169 C ALA A 12 12.446 6.898 -0.437 1.00 0.00 C ATOM 170 O ALA A 12 12.174 6.864 0.759 1.00 0.00 O ATOM 171 CB ALA A 12 10.419 7.403 -1.823 1.00 0.00 C ATOM 0 H ALA A 12 10.392 5.234 -0.050 1.00 0.00 H new ATOM 0 HA ALA A 12 12.018 6.097 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.918 8.300 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.756 7.014 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.836 7.650 -0.936 1.00 0.00 H new ATOM 177 N PRO A 13 13.605 7.417 -0.886 1.00 0.00 N ATOM 178 CA PRO A 13 14.627 7.963 0.016 1.00 0.00 C ATOM 179 C PRO A 13 14.035 8.891 1.072 1.00 0.00 C ATOM 180 O PRO A 13 13.017 9.545 0.840 1.00 0.00 O ATOM 181 CB PRO A 13 15.546 8.738 -0.927 1.00 0.00 C ATOM 182 CG PRO A 13 15.421 8.034 -2.234 1.00 0.00 C ATOM 183 CD PRO A 13 14.004 7.525 -2.304 1.00 0.00 C ATOM 0 HA PRO A 13 15.134 7.182 0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.242 9.782 -1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.576 8.733 -0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.633 8.710 -3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.134 7.212 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.358 8.211 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.948 6.562 -2.811 1.00 0.00 H new ATOM 191 N MET A 14 14.684 8.944 2.234 1.00 0.00 N ATOM 192 CA MET A 14 14.217 9.786 3.331 1.00 0.00 C ATOM 193 C MET A 14 15.365 10.181 4.256 1.00 0.00 C ATOM 194 O MET A 14 15.243 11.120 5.044 1.00 0.00 O ATOM 195 CB MET A 14 13.138 9.052 4.133 1.00 0.00 C ATOM 196 CG MET A 14 12.515 9.895 5.235 1.00 0.00 C ATOM 197 SD MET A 14 11.445 8.937 6.323 1.00 0.00 S ATOM 198 CE MET A 14 11.003 10.175 7.539 1.00 0.00 C ATOM 0 H MET A 14 15.532 8.415 2.439 1.00 0.00 H new ATOM 0 HA MET A 14 13.798 10.695 2.900 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.353 8.722 3.452 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.573 8.156 4.575 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.307 10.357 5.825 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.939 10.704 4.786 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.341 9.733 8.284 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.905 10.543 8.028 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.494 11.003 7.046 1.00 0.00 H new ATOM 208 N ASP A 15 16.480 9.468 4.153 1.00 0.00 N ATOM 209 CA ASP A 15 17.640 9.744 4.991 1.00 0.00 C ATOM 210 C ASP A 15 18.886 9.088 4.415 1.00 0.00 C ATOM 211 O ASP A 15 19.263 7.985 4.810 1.00 0.00 O ATOM 212 CB ASP A 15 17.394 9.245 6.414 1.00 0.00 C ATOM 213 CG ASP A 15 18.386 9.815 7.409 1.00 0.00 C ATOM 214 OD1 ASP A 15 19.448 9.190 7.613 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.101 10.886 7.984 1.00 0.00 O ATOM 0 H ASP A 15 16.605 8.696 3.499 1.00 0.00 H new ATOM 0 HA ASP A 15 17.797 10.822 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.383 9.513 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.454 8.157 6.429 1.00 0.00 H new ATOM 220 N ILE A 16 19.511 9.774 3.472 1.00 0.00 N ATOM 221 CA ILE A 16 20.706 9.270 2.822 1.00 0.00 C ATOM 222 C ILE A 16 21.432 10.382 2.088 1.00 0.00 C ATOM 223 O ILE A 16 22.584 10.230 1.681 1.00 0.00 O ATOM 224 CB ILE A 16 20.333 8.163 1.821 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.519 7.805 0.925 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.137 8.601 0.989 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.257 6.638 -0.002 1.00 0.00 C ATOM 0 H ILE A 16 19.206 10.689 3.139 1.00 0.00 H new ATOM 0 HA ILE A 16 21.364 8.866 3.591 1.00 0.00 H new ATOM 0 HB ILE A 16 20.064 7.267 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.787 8.677 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.379 7.572 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.877 7.813 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.288 8.794 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.387 9.511 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.145 6.446 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.019 5.752 0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.418 6.875 -0.657 1.00 0.00 H new ATOM 239 N THR A 17 20.754 11.509 1.963 1.00 0.00 N ATOM 240 CA THR A 17 21.294 12.656 1.251 1.00 0.00 C ATOM 241 C THR A 17 21.868 12.226 -0.084 1.00 0.00 C ATOM 242 O THR A 17 23.023 11.812 -0.172 1.00 0.00 O ATOM 243 CB THR A 17 22.388 13.385 2.039 1.00 0.00 C ATOM 244 OG1 THR A 17 23.287 12.445 2.639 1.00 0.00 O ATOM 245 CG2 THR A 17 21.788 14.285 3.109 1.00 0.00 C ATOM 0 H THR A 17 19.821 11.656 2.348 1.00 0.00 H new ATOM 0 HA THR A 17 20.462 13.345 1.109 1.00 0.00 H new ATOM 0 HB THR A 17 22.942 14.008 1.337 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.486 11.729 2.000 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.588 14.789 3.651 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.144 15.028 2.640 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.202 13.683 3.804 1.00 0.00 H new ATOM 253 N LEU A 18 21.057 12.325 -1.121 1.00 0.00 N ATOM 254 CA LEU A 18 21.476 11.932 -2.445 1.00 0.00 C ATOM 255 C LEU A 18 22.518 12.900 -2.990 1.00 0.00 C ATOM 256 O LEU A 18 22.215 13.760 -3.817 1.00 0.00 O ATOM 257 CB LEU A 18 20.270 11.874 -3.370 1.00 0.00 C ATOM 258 CG LEU A 18 19.616 10.495 -3.487 1.00 0.00 C ATOM 259 CD1 LEU A 18 20.627 9.475 -3.987 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.042 10.060 -2.147 1.00 0.00 C ATOM 0 H LEU A 18 20.101 12.676 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 18 21.930 10.943 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 18 19.524 12.585 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.576 12.201 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 18 18.799 10.559 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.150 8.498 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.996 9.779 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.461 9.416 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.581 9.078 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.841 10.010 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.291 10.780 -1.822 1.00 0.00 H new ATOM 272 N THR A 19 23.745 12.755 -2.509 1.00 0.00 N ATOM 273 CA THR A 19 24.843 13.612 -2.929 1.00 0.00 C ATOM 274 C THR A 19 26.122 12.798 -3.068 1.00 0.00 C ATOM 275 O THR A 19 27.114 13.264 -3.630 1.00 0.00 O ATOM 276 CB THR A 19 25.073 14.752 -1.920 1.00 0.00 C ATOM 277 OG1 THR A 19 25.591 14.223 -0.693 1.00 0.00 O ATOM 278 CG2 THR A 19 23.775 15.499 -1.644 1.00 0.00 C ATOM 0 H THR A 19 24.005 12.047 -1.823 1.00 0.00 H new ATOM 0 HA THR A 19 24.578 14.045 -3.893 1.00 0.00 H new ATOM 0 HB THR A 19 25.793 15.448 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 19 25.736 14.954 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 19 23.961 16.300 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.395 15.924 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.038 14.809 -1.232 1.00 0.00 H new ATOM 286 N GLU A 20 26.083 11.577 -2.547 1.00 0.00 N ATOM 287 CA GLU A 20 27.225 10.677 -2.603 1.00 0.00 C ATOM 288 C GLU A 20 27.153 9.791 -3.842 1.00 0.00 C ATOM 289 O GLU A 20 26.243 9.927 -4.661 1.00 0.00 O ATOM 290 CB GLU A 20 27.278 9.819 -1.338 1.00 0.00 C ATOM 291 CG GLU A 20 27.511 10.624 -0.069 1.00 0.00 C ATOM 292 CD GLU A 20 27.459 9.770 1.183 1.00 0.00 C ATOM 293 OE1 GLU A 20 26.341 9.448 1.636 1.00 0.00 O ATOM 294 OE2 GLU A 20 28.536 9.425 1.712 1.00 0.00 O ATOM 0 H GLU A 20 25.265 11.187 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 20 28.135 11.274 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.342 9.268 -1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.073 9.081 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.482 11.116 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 20 26.759 11.410 0.001 1.00 0.00 H new ATOM 301 N THR A 21 28.113 8.883 -3.975 1.00 0.00 N ATOM 302 CA THR A 21 28.159 7.981 -5.120 1.00 0.00 C ATOM 303 C THR A 21 28.258 6.525 -4.683 1.00 0.00 C ATOM 304 O THR A 21 27.651 5.640 -5.288 1.00 0.00 O ATOM 305 CB THR A 21 29.353 8.300 -6.033 1.00 0.00 C ATOM 306 OG1 THR A 21 30.500 8.632 -5.242 1.00 0.00 O ATOM 307 CG2 THR A 21 29.026 9.448 -6.977 1.00 0.00 C ATOM 0 H THR A 21 28.870 8.752 -3.304 1.00 0.00 H new ATOM 0 HA THR A 21 27.229 8.130 -5.668 1.00 0.00 H new ATOM 0 HB THR A 21 29.570 7.415 -6.631 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.257 8.832 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 21 29.888 9.654 -7.612 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.173 9.176 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.782 10.338 -6.397 1.00 0.00 H new ATOM 315 N ARG A 22 29.028 6.284 -3.631 1.00 0.00 N ATOM 316 CA ARG A 22 29.221 4.937 -3.110 1.00 0.00 C ATOM 317 C ARG A 22 28.878 4.886 -1.627 1.00 0.00 C ATOM 318 O ARG A 22 28.864 5.920 -0.958 1.00 0.00 O ATOM 319 CB ARG A 22 30.665 4.500 -3.302 1.00 0.00 C ATOM 320 CG ARG A 22 31.202 4.753 -4.699 1.00 0.00 C ATOM 321 CD ARG A 22 32.646 4.295 -4.831 1.00 0.00 C ATOM 322 NE ARG A 22 33.523 4.971 -3.879 1.00 0.00 N ATOM 323 CZ ARG A 22 34.733 4.530 -3.548 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.209 3.416 -4.090 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.470 5.203 -2.675 1.00 0.00 N ATOM 0 H ARG A 22 29.532 7.008 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 22 28.561 4.264 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.292 5.025 -2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.745 3.436 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.584 4.228 -5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.134 5.816 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.701 3.218 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.996 4.486 -5.845 1.00 0.00 H new ATOM 0 HE ARG A 22 33.188 5.830 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.646 2.895 -4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.138 3.081 -3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.109 6.060 -2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.398 4.863 -2.422 1.00 0.00 H new ATOM 339 N PHE A 23 28.609 3.692 -1.103 1.00 0.00 N ATOM 340 CA PHE A 23 28.272 3.531 0.309 1.00 0.00 C ATOM 341 C PHE A 23 28.887 2.244 0.855 1.00 0.00 C ATOM 342 O PHE A 23 28.471 1.147 0.489 1.00 0.00 O ATOM 343 CB PHE A 23 26.749 3.512 0.492 1.00 0.00 C ATOM 344 CG PHE A 23 26.071 4.769 0.023 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.991 5.061 -1.327 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.525 5.663 0.930 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.386 6.216 -1.767 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.912 6.824 0.495 1.00 0.00 C ATOM 349 CZ PHE A 23 24.844 7.101 -0.857 1.00 0.00 C ATOM 0 H PHE A 23 28.618 2.822 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 23 28.680 4.376 0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.337 2.662 -0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.520 3.357 1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.410 4.372 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.579 5.451 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.335 6.430 -2.824 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.487 7.513 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.368 8.007 -1.201 1.00 0.00 H new ATOM 359 N LYS A 24 29.889 2.381 1.726 1.00 0.00 N ATOM 360 CA LYS A 24 30.571 1.222 2.307 1.00 0.00 C ATOM 361 C LYS A 24 29.587 0.199 2.855 1.00 0.00 C ATOM 362 O LYS A 24 28.397 0.478 3.006 1.00 0.00 O ATOM 363 CB LYS A 24 31.528 1.653 3.417 1.00 0.00 C ATOM 364 CG LYS A 24 30.975 2.746 4.317 1.00 0.00 C ATOM 365 CD LYS A 24 32.024 3.235 5.303 1.00 0.00 C ATOM 366 CE LYS A 24 31.463 4.296 6.236 1.00 0.00 C ATOM 367 NZ LYS A 24 30.939 5.472 5.490 1.00 0.00 N ATOM 0 H LYS A 24 30.246 3.282 2.044 1.00 0.00 H new ATOM 0 HA LYS A 24 31.138 0.754 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.776 0.784 4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.457 2.002 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.629 3.581 3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.110 2.368 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.394 2.393 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.875 3.643 4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.664 3.863 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.242 4.621 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.755 6.251 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.640 5.777 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.055 5.212 5.008 1.00 0.00 H new ATOM 381 N THR A 25 30.103 -0.985 3.166 1.00 0.00 N ATOM 382 CA THR A 25 29.284 -2.062 3.696 1.00 0.00 C ATOM 383 C THR A 25 28.704 -1.705 5.061 1.00 0.00 C ATOM 384 O THR A 25 27.828 -2.403 5.573 1.00 0.00 O ATOM 385 CB THR A 25 30.076 -3.373 3.804 1.00 0.00 C ATOM 386 OG1 THR A 25 31.413 -3.109 4.244 1.00 0.00 O ATOM 387 CG2 THR A 25 30.104 -4.111 2.466 1.00 0.00 C ATOM 0 H THR A 25 31.089 -1.221 3.059 1.00 0.00 H new ATOM 0 HA THR A 25 28.464 -2.204 2.992 1.00 0.00 H new ATOM 0 HB THR A 25 29.577 -4.009 4.535 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.908 -3.952 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.672 -5.036 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.085 -4.344 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.576 -3.480 1.712 1.00 0.00 H new ATOM 395 N GLY A 26 29.196 -0.619 5.648 1.00 0.00 N ATOM 396 CA GLY A 26 28.706 -0.178 6.943 1.00 0.00 C ATOM 397 C GLY A 26 27.651 0.900 6.801 1.00 0.00 C ATOM 398 O GLY A 26 27.348 1.623 7.751 1.00 0.00 O ATOM 0 H GLY A 26 29.929 -0.033 5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.289 -1.028 7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.537 0.201 7.538 1.00 0.00 H new ATOM 402 N THR A 27 27.094 0.995 5.600 1.00 0.00 N ATOM 403 CA THR A 27 26.068 1.986 5.304 1.00 0.00 C ATOM 404 C THR A 27 24.676 1.388 5.452 1.00 0.00 C ATOM 405 O THR A 27 24.503 0.172 5.376 1.00 0.00 O ATOM 406 CB THR A 27 26.217 2.544 3.876 1.00 0.00 C ATOM 407 OG1 THR A 27 25.630 3.849 3.797 1.00 0.00 O ATOM 408 CG2 THR A 27 25.543 1.626 2.863 1.00 0.00 C ATOM 0 H THR A 27 27.337 0.395 4.812 1.00 0.00 H new ATOM 0 HA THR A 27 26.198 2.798 6.020 1.00 0.00 H new ATOM 0 HB THR A 27 27.280 2.604 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 27 24.912 3.845 3.130 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.661 2.040 1.862 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.003 0.639 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.482 1.542 3.098 1.00 0.00 H new ATOM 416 N THR A 28 23.689 2.247 5.664 1.00 0.00 N ATOM 417 CA THR A 28 22.312 1.800 5.806 1.00 0.00 C ATOM 418 C THR A 28 21.342 2.939 5.520 1.00 0.00 C ATOM 419 O THR A 28 21.379 3.984 6.172 1.00 0.00 O ATOM 420 CB THR A 28 22.034 1.227 7.208 1.00 0.00 C ATOM 421 OG1 THR A 28 22.948 0.162 7.495 1.00 0.00 O ATOM 422 CG2 THR A 28 20.604 0.714 7.312 1.00 0.00 C ATOM 0 H THR A 28 23.817 3.256 5.741 1.00 0.00 H new ATOM 0 HA THR A 28 22.161 1.004 5.077 1.00 0.00 H new ATOM 0 HB THR A 28 22.170 2.028 7.934 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.319 -0.185 6.657 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.433 0.314 8.312 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.909 1.533 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.445 -0.073 6.575 1.00 0.00 H new ATOM 430 N LEU A 29 20.474 2.725 4.538 1.00 0.00 N ATOM 431 CA LEU A 29 19.499 3.728 4.143 1.00 0.00 C ATOM 432 C LEU A 29 18.266 3.662 5.036 1.00 0.00 C ATOM 433 O LEU A 29 18.198 2.850 5.960 1.00 0.00 O ATOM 434 CB LEU A 29 19.091 3.530 2.677 1.00 0.00 C ATOM 435 CG LEU A 29 20.216 3.696 1.648 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.257 2.600 1.805 1.00 0.00 C ATOM 437 CD2 LEU A 29 19.652 3.681 0.236 1.00 0.00 C ATOM 0 H LEU A 29 20.428 1.860 4.000 1.00 0.00 H new ATOM 0 HA LEU A 29 19.959 4.710 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.668 2.531 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.298 4.240 2.440 1.00 0.00 H new ATOM 0 HG LEU A 29 20.697 4.658 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.045 2.738 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.687 2.647 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.787 1.628 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.464 3.800 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.145 2.733 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.942 4.500 0.119 1.00 0.00 H new ATOM 449 N LYS A 30 17.291 4.520 4.756 1.00 0.00 N ATOM 450 CA LYS A 30 16.057 4.556 5.529 1.00 0.00 C ATOM 451 C LYS A 30 14.859 4.277 4.628 1.00 0.00 C ATOM 452 O LYS A 30 14.241 3.215 4.713 1.00 0.00 O ATOM 453 CB LYS A 30 15.898 5.914 6.216 1.00 0.00 C ATOM 454 CG LYS A 30 14.747 5.965 7.206 1.00 0.00 C ATOM 455 CD LYS A 30 14.761 7.255 8.009 1.00 0.00 C ATOM 456 CE LYS A 30 13.711 7.239 9.106 1.00 0.00 C ATOM 457 NZ LYS A 30 13.795 8.447 9.973 1.00 0.00 N ATOM 0 H LYS A 30 17.333 5.201 3.998 1.00 0.00 H new ATOM 0 HA LYS A 30 16.105 3.782 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.824 6.159 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.746 6.681 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.801 5.878 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.810 5.113 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.747 7.400 8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.582 8.100 7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.719 7.182 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.837 6.345 9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.062 8.398 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.733 8.488 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.649 9.300 9.396 1.00 0.00 H new ATOM 471 N TYR A 31 14.543 5.238 3.764 1.00 0.00 N ATOM 472 CA TYR A 31 13.432 5.102 2.825 1.00 0.00 C ATOM 473 C TYR A 31 12.082 5.000 3.538 1.00 0.00 C ATOM 474 O TYR A 31 11.969 4.411 4.612 1.00 0.00 O ATOM 475 CB TYR A 31 13.647 3.881 1.925 1.00 0.00 C ATOM 476 CG TYR A 31 14.502 4.165 0.710 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.802 4.634 0.844 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.007 3.962 -0.573 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.584 4.894 -0.264 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.785 4.218 -1.686 1.00 0.00 C ATOM 481 CZ TYR A 31 16.071 4.684 -1.527 1.00 0.00 C ATOM 482 OH TYR A 31 16.848 4.941 -2.633 1.00 0.00 O ATOM 0 H TYR A 31 15.043 6.124 3.694 1.00 0.00 H new ATOM 0 HA TYR A 31 13.410 6.005 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.113 3.088 2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.677 3.507 1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.208 4.798 1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.998 3.598 -0.702 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.593 5.260 -0.142 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.386 4.053 -2.676 1.00 0.00 H new ATOM 0 HH TYR A 31 16.666 4.270 -3.324 1.00 0.00 H new ATOM 492 N THR A 32 11.064 5.589 2.917 1.00 0.00 N ATOM 493 CA THR A 32 9.712 5.574 3.465 1.00 0.00 C ATOM 494 C THR A 32 8.809 4.641 2.661 1.00 0.00 C ATOM 495 O THR A 32 9.229 4.081 1.650 1.00 0.00 O ATOM 496 CB THR A 32 9.094 6.988 3.490 1.00 0.00 C ATOM 497 OG1 THR A 32 7.871 7.009 2.742 1.00 0.00 O ATOM 498 CG2 THR A 32 10.057 8.016 2.913 1.00 0.00 C ATOM 0 H THR A 32 11.151 6.085 2.030 1.00 0.00 H new ATOM 0 HA THR A 32 9.787 5.209 4.489 1.00 0.00 H new ATOM 0 HB THR A 32 8.890 7.244 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.488 7.911 2.767 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.596 9.003 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.974 8.026 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.291 7.756 1.881 1.00 0.00 H new ATOM 506 N CYS A 33 7.569 4.478 3.117 1.00 0.00 N ATOM 507 CA CYS A 33 6.615 3.607 2.437 1.00 0.00 C ATOM 508 C CYS A 33 5.332 4.361 2.085 1.00 0.00 C ATOM 509 O CYS A 33 4.589 4.817 2.955 1.00 0.00 O ATOM 510 CB CYS A 33 6.294 2.397 3.318 1.00 0.00 C ATOM 511 SG CYS A 33 5.427 1.049 2.452 1.00 0.00 S ATOM 0 H CYS A 33 7.203 4.936 3.952 1.00 0.00 H new ATOM 0 HA CYS A 33 7.068 3.264 1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.224 2.008 3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.683 2.726 4.158 1.00 0.00 H new ATOM 516 N LEU A 34 5.127 4.484 0.772 1.00 0.00 N ATOM 517 CA LEU A 34 3.983 5.195 0.201 1.00 0.00 C ATOM 518 C LEU A 34 2.734 5.082 1.085 1.00 0.00 C ATOM 519 O LEU A 34 2.484 4.049 1.706 1.00 0.00 O ATOM 520 CB LEU A 34 3.708 4.703 -1.221 1.00 0.00 C ATOM 521 CG LEU A 34 4.902 4.825 -2.182 1.00 0.00 C ATOM 522 CD1 LEU A 34 4.474 4.522 -3.609 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.534 6.208 -2.098 1.00 0.00 C ATOM 0 H LEU A 34 5.755 4.090 0.071 1.00 0.00 H new ATOM 0 HA LEU A 34 4.238 6.254 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.399 3.659 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.870 5.266 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 34 5.651 4.092 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.333 4.614 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.080 3.507 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.702 5.228 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.376 6.266 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.794 6.963 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.885 6.386 -1.082 1.00 0.00 H new ATOM 535 N PRO A 35 1.935 6.168 1.130 1.00 0.00 N ATOM 536 CA PRO A 35 0.720 6.273 1.955 1.00 0.00 C ATOM 537 C PRO A 35 -0.125 5.004 2.061 1.00 0.00 C ATOM 538 O PRO A 35 -0.791 4.793 3.075 1.00 0.00 O ATOM 539 CB PRO A 35 -0.068 7.370 1.250 1.00 0.00 C ATOM 540 CG PRO A 35 0.975 8.277 0.696 1.00 0.00 C ATOM 541 CD PRO A 35 2.158 7.407 0.352 1.00 0.00 C ATOM 0 HA PRO A 35 0.987 6.471 2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.699 6.961 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.725 7.896 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.607 8.798 -0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.253 9.040 1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.205 7.203 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.098 7.886 0.626 1.00 0.00 H new ATOM 549 N GLY A 36 -0.108 4.162 1.041 1.00 0.00 N ATOM 550 CA GLY A 36 -0.920 2.955 1.085 1.00 0.00 C ATOM 551 C GLY A 36 -0.156 1.682 0.782 1.00 0.00 C ATOM 552 O GLY A 36 -0.674 0.586 0.993 1.00 0.00 O ATOM 0 H GLY A 36 0.444 4.285 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.370 2.869 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.737 3.054 0.371 1.00 0.00 H new ATOM 556 N TYR A 37 1.065 1.826 0.278 1.00 0.00 N ATOM 557 CA TYR A 37 1.901 0.689 -0.066 1.00 0.00 C ATOM 558 C TYR A 37 1.697 -0.492 0.866 1.00 0.00 C ATOM 559 O TYR A 37 2.145 -0.498 2.013 1.00 0.00 O ATOM 560 CB TYR A 37 3.377 1.092 -0.073 1.00 0.00 C ATOM 561 CG TYR A 37 4.122 0.619 -1.300 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.268 -0.733 -1.571 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.667 1.527 -2.195 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.936 -1.166 -2.699 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.335 1.103 -3.326 1.00 0.00 C ATOM 566 CZ TYR A 37 5.466 -0.247 -3.573 1.00 0.00 C ATOM 567 OH TYR A 37 6.129 -0.678 -4.700 1.00 0.00 O ATOM 0 H TYR A 37 1.499 2.732 0.098 1.00 0.00 H new ATOM 0 HA TYR A 37 1.600 0.372 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.450 2.178 -0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.861 0.687 0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.852 -1.459 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.567 2.585 -2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.042 -2.223 -2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.752 1.824 -4.013 1.00 0.00 H new ATOM 0 HH TYR A 37 6.441 0.097 -5.212 1.00 0.00 H new ATOM 577 N VAL A 38 0.989 -1.480 0.337 1.00 0.00 N ATOM 578 CA VAL A 38 0.771 -2.713 1.073 1.00 0.00 C ATOM 579 C VAL A 38 2.092 -3.253 1.612 1.00 0.00 C ATOM 580 O VAL A 38 3.149 -2.721 1.284 1.00 0.00 O ATOM 581 CB VAL A 38 0.058 -3.732 0.172 1.00 0.00 C ATOM 582 CG1 VAL A 38 -0.188 -5.043 0.887 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.254 -3.133 -0.299 1.00 0.00 C ATOM 0 H VAL A 38 0.561 -1.452 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 38 0.130 -2.517 1.933 1.00 0.00 H new ATOM 0 HB VAL A 38 0.700 -3.951 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.694 -5.735 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.764 -5.472 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.812 -4.868 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.771 -3.847 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.879 -2.902 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.056 -2.219 -0.859 1.00 0.00 H new ATOM 593 N ARG A 39 2.062 -4.285 2.447 1.00 0.00 N ATOM 594 CA ARG A 39 3.311 -4.803 2.981 1.00 0.00 C ATOM 595 C ARG A 39 3.172 -6.178 3.617 1.00 0.00 C ATOM 596 O ARG A 39 2.075 -6.633 3.942 1.00 0.00 O ATOM 597 CB ARG A 39 3.869 -3.819 4.009 1.00 0.00 C ATOM 598 CG ARG A 39 2.997 -3.680 5.248 1.00 0.00 C ATOM 599 CD ARG A 39 3.615 -2.733 6.263 1.00 0.00 C ATOM 600 NE ARG A 39 4.894 -3.225 6.765 1.00 0.00 N ATOM 601 CZ ARG A 39 5.693 -2.522 7.561 1.00 0.00 C ATOM 602 NH1 ARG A 39 5.346 -1.301 7.942 1.00 0.00 N ATOM 603 NH2 ARG A 39 6.841 -3.042 7.978 1.00 0.00 N ATOM 0 H ARG A 39 1.217 -4.764 2.759 1.00 0.00 H new ATOM 0 HA ARG A 39 3.993 -4.915 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.865 -4.145 4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.981 -2.841 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.011 -3.314 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.853 -4.659 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.758 -1.754 5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.927 -2.597 7.097 1.00 0.00 H new ATOM 0 HE ARG A 39 5.191 -4.161 6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.464 -0.899 7.624 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.961 -0.763 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.111 -3.982 7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.454 -2.502 8.589 1.00 0.00 H new ATOM 617 N SER A 40 4.321 -6.825 3.784 1.00 0.00 N ATOM 618 CA SER A 40 4.405 -8.140 4.396 1.00 0.00 C ATOM 619 C SER A 40 5.374 -8.091 5.575 1.00 0.00 C ATOM 620 O SER A 40 5.646 -9.104 6.217 1.00 0.00 O ATOM 621 CB SER A 40 4.862 -9.174 3.362 1.00 0.00 C ATOM 622 OG SER A 40 5.305 -10.366 3.986 1.00 0.00 O ATOM 0 H SER A 40 5.223 -6.447 3.496 1.00 0.00 H new ATOM 0 HA SER A 40 3.421 -8.435 4.760 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.040 -9.400 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.668 -8.756 2.758 1.00 0.00 H new ATOM 0 HG SER A 40 5.178 -10.295 4.955 1.00 0.00 H new ATOM 628 N HIS A 41 5.870 -6.878 5.849 1.00 0.00 N ATOM 629 CA HIS A 41 6.815 -6.611 6.941 1.00 0.00 C ATOM 630 C HIS A 41 7.971 -7.605 6.979 1.00 0.00 C ATOM 631 O HIS A 41 7.784 -8.797 7.218 1.00 0.00 O ATOM 632 CB HIS A 41 6.117 -6.583 8.306 1.00 0.00 C ATOM 633 CG HIS A 41 4.703 -7.075 8.296 1.00 0.00 C ATOM 634 ND1 HIS A 41 4.360 -8.388 8.548 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.538 -6.423 8.065 1.00 0.00 C ATOM 636 CE1 HIS A 41 3.049 -8.521 8.471 1.00 0.00 C ATOM 637 NE2 HIS A 41 2.526 -7.344 8.180 1.00 0.00 N ATOM 0 H HIS A 41 5.624 -6.046 5.313 1.00 0.00 H new ATOM 0 HA HIS A 41 7.228 -5.624 6.733 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.693 -7.188 9.006 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.129 -5.561 8.684 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.426 -5.374 7.833 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.497 -9.437 8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.532 -7.150 8.060 1.00 0.00 H new ATOM 646 N SER A 42 9.176 -7.090 6.760 1.00 0.00 N ATOM 647 CA SER A 42 10.378 -7.910 6.775 1.00 0.00 C ATOM 648 C SER A 42 11.615 -7.045 6.980 1.00 0.00 C ATOM 649 O SER A 42 12.652 -7.523 7.439 1.00 0.00 O ATOM 650 CB SER A 42 10.501 -8.703 5.472 1.00 0.00 C ATOM 651 OG SER A 42 9.405 -9.583 5.301 1.00 0.00 O ATOM 0 H SER A 42 9.345 -6.102 6.569 1.00 0.00 H new ATOM 0 HA SER A 42 10.302 -8.611 7.606 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.553 -8.015 4.628 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.430 -9.272 5.476 1.00 0.00 H new ATOM 0 HG SER A 42 8.899 -9.641 6.138 1.00 0.00 H new ATOM 657 N THR A 43 11.489 -5.764 6.644 1.00 0.00 N ATOM 658 CA THR A 43 12.595 -4.816 6.778 1.00 0.00 C ATOM 659 C THR A 43 12.117 -3.383 6.558 1.00 0.00 C ATOM 660 O THR A 43 10.918 -3.105 6.597 1.00 0.00 O ATOM 661 CB THR A 43 13.721 -5.104 5.767 1.00 0.00 C ATOM 662 OG1 THR A 43 13.697 -6.477 5.365 1.00 0.00 O ATOM 663 CG2 THR A 43 15.083 -4.775 6.363 1.00 0.00 C ATOM 0 H THR A 43 10.630 -5.356 6.276 1.00 0.00 H new ATOM 0 HA THR A 43 12.979 -4.934 7.791 1.00 0.00 H new ATOM 0 HB THR A 43 13.554 -4.471 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.653 -7.050 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.862 -4.987 5.630 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.117 -3.720 6.633 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.247 -5.383 7.253 1.00 0.00 H new ATOM 671 N GLN A 44 13.071 -2.481 6.321 1.00 0.00 N ATOM 672 CA GLN A 44 12.769 -1.073 6.084 1.00 0.00 C ATOM 673 C GLN A 44 14.055 -0.272 5.894 1.00 0.00 C ATOM 674 O GLN A 44 14.057 0.951 6.036 1.00 0.00 O ATOM 675 CB GLN A 44 11.970 -0.495 7.256 1.00 0.00 C ATOM 676 CG GLN A 44 12.746 -0.458 8.564 1.00 0.00 C ATOM 677 CD GLN A 44 11.905 0.018 9.734 1.00 0.00 C ATOM 678 OE1 GLN A 44 12.407 0.666 10.651 1.00 0.00 O ATOM 679 NE2 GLN A 44 10.619 -0.314 9.714 1.00 0.00 N ATOM 0 H GLN A 44 14.065 -2.705 6.289 1.00 0.00 H new ATOM 0 HA GLN A 44 12.172 -1.002 5.175 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.651 0.516 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.066 -1.088 7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.131 -1.454 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.608 0.199 8.451 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.243 -0.853 8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.007 -0.030 10.479 1.00 0.00 H new ATOM 688 N THR A 45 15.148 -0.964 5.561 1.00 0.00 N ATOM 689 CA THR A 45 16.440 -0.308 5.373 1.00 0.00 C ATOM 690 C THR A 45 17.294 -1.028 4.332 1.00 0.00 C ATOM 691 O THR A 45 17.117 -2.219 4.076 1.00 0.00 O ATOM 692 CB THR A 45 17.237 -0.241 6.691 1.00 0.00 C ATOM 693 OG1 THR A 45 17.693 -1.548 7.055 1.00 0.00 O ATOM 694 CG2 THR A 45 16.387 0.332 7.814 1.00 0.00 C ATOM 0 H THR A 45 15.162 -1.974 5.417 1.00 0.00 H new ATOM 0 HA THR A 45 16.219 0.701 5.026 1.00 0.00 H new ATOM 0 HB THR A 45 18.094 0.415 6.535 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.200 -1.496 7.892 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.973 0.368 8.732 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.065 1.339 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.512 -0.300 7.967 1.00 0.00 H new ATOM 702 N LEU A 46 18.222 -0.284 3.737 1.00 0.00 N ATOM 703 CA LEU A 46 19.125 -0.823 2.725 1.00 0.00 C ATOM 704 C LEU A 46 20.559 -0.812 3.248 1.00 0.00 C ATOM 705 O LEU A 46 21.095 0.242 3.574 1.00 0.00 O ATOM 706 CB LEU A 46 19.044 0.005 1.441 1.00 0.00 C ATOM 707 CG LEU A 46 17.850 -0.298 0.538 1.00 0.00 C ATOM 708 CD1 LEU A 46 17.756 0.732 -0.575 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.968 -1.696 -0.043 1.00 0.00 C ATOM 0 H LEU A 46 18.369 0.704 3.941 1.00 0.00 H new ATOM 0 HA LEU A 46 18.826 -1.848 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.014 1.061 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.959 -0.152 0.870 1.00 0.00 H new ATOM 0 HG LEU A 46 16.940 -0.247 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.901 0.504 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.632 1.725 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.668 0.708 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.110 -1.897 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.884 -1.770 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.995 -2.425 0.767 1.00 0.00 H new ATOM 721 N THR A 47 21.183 -1.983 3.324 1.00 0.00 N ATOM 722 CA THR A 47 22.556 -2.069 3.806 1.00 0.00 C ATOM 723 C THR A 47 23.477 -2.568 2.706 1.00 0.00 C ATOM 724 O THR A 47 23.038 -3.279 1.802 1.00 0.00 O ATOM 725 CB THR A 47 22.681 -3.011 5.017 1.00 0.00 C ATOM 726 OG1 THR A 47 21.589 -2.797 5.922 1.00 0.00 O ATOM 727 CG2 THR A 47 23.997 -2.780 5.744 1.00 0.00 C ATOM 0 H THR A 47 20.765 -2.876 3.061 1.00 0.00 H new ATOM 0 HA THR A 47 22.846 -1.064 4.112 1.00 0.00 H new ATOM 0 HB THR A 47 22.656 -4.039 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.676 -3.402 6.688 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.065 -3.456 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.827 -2.970 5.063 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.043 -1.749 6.094 1.00 0.00 H new ATOM 735 N CYS A 48 24.753 -2.203 2.776 1.00 0.00 N ATOM 736 CA CYS A 48 25.699 -2.651 1.773 1.00 0.00 C ATOM 737 C CYS A 48 26.255 -3.994 2.211 1.00 0.00 C ATOM 738 O CYS A 48 26.904 -4.105 3.251 1.00 0.00 O ATOM 739 CB CYS A 48 26.809 -1.624 1.573 1.00 0.00 C ATOM 740 SG CYS A 48 27.707 -1.795 0.001 1.00 0.00 S ATOM 0 H CYS A 48 25.146 -1.608 3.505 1.00 0.00 H new ATOM 0 HA CYS A 48 25.199 -2.762 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.378 -0.624 1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.519 -1.708 2.395 1.00 0.00 H new ATOM 745 N ASN A 49 25.992 -5.010 1.408 1.00 0.00 N ATOM 746 CA ASN A 49 26.487 -6.348 1.682 1.00 0.00 C ATOM 747 C ASN A 49 27.737 -6.614 0.848 1.00 0.00 C ATOM 748 O ASN A 49 28.118 -5.794 0.012 1.00 0.00 O ATOM 749 CB ASN A 49 25.406 -7.380 1.367 1.00 0.00 C ATOM 750 CG ASN A 49 24.775 -7.143 0.012 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.167 -7.749 -0.982 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.800 -6.248 -0.038 1.00 0.00 N ATOM 0 H ASN A 49 25.436 -4.933 0.557 1.00 0.00 H new ATOM 0 HA ASN A 49 26.744 -6.428 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.840 -8.380 1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.635 -7.345 2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.344 -6.040 -0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.505 -5.767 0.812 1.00 0.00 H new ATOM 759 N SER A 50 28.372 -7.757 1.072 1.00 0.00 N ATOM 760 CA SER A 50 29.573 -8.118 0.325 1.00 0.00 C ATOM 761 C SER A 50 29.169 -8.826 -0.966 1.00 0.00 C ATOM 762 O SER A 50 29.433 -10.014 -1.156 1.00 0.00 O ATOM 763 CB SER A 50 30.477 -9.021 1.168 1.00 0.00 C ATOM 764 OG SER A 50 31.639 -9.394 0.449 1.00 0.00 O ATOM 0 H SER A 50 28.078 -8.449 1.762 1.00 0.00 H new ATOM 0 HA SER A 50 30.130 -7.213 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.763 -8.502 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.928 -9.914 1.466 1.00 0.00 H new ATOM 0 HG SER A 50 31.379 -9.844 -0.382 1.00 0.00 H new ATOM 770 N ASP A 51 28.518 -8.070 -1.843 1.00 0.00 N ATOM 771 CA ASP A 51 28.038 -8.573 -3.127 1.00 0.00 C ATOM 772 C ASP A 51 27.956 -7.448 -4.147 1.00 0.00 C ATOM 773 O ASP A 51 27.564 -7.657 -5.295 1.00 0.00 O ATOM 774 CB ASP A 51 26.651 -9.184 -2.965 1.00 0.00 C ATOM 775 CG ASP A 51 26.617 -10.295 -1.933 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.436 -9.989 -0.737 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.776 -11.471 -2.323 1.00 0.00 O ATOM 0 H ASP A 51 28.307 -7.085 -1.683 1.00 0.00 H new ATOM 0 HA ASP A 51 28.741 -9.329 -3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.946 -8.404 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.317 -9.576 -3.926 1.00 0.00 H new ATOM 782 N GLY A 52 28.334 -6.251 -3.713 1.00 0.00 N ATOM 783 CA GLY A 52 28.265 -5.097 -4.590 1.00 0.00 C ATOM 784 C GLY A 52 26.853 -4.834 -5.073 1.00 0.00 C ATOM 785 O GLY A 52 26.624 -4.145 -6.068 1.00 0.00 O ATOM 0 H GLY A 52 28.685 -6.059 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.637 -4.219 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.918 -5.254 -5.448 1.00 0.00 H new ATOM 789 N GLU A 53 25.914 -5.408 -4.333 1.00 0.00 N ATOM 790 CA GLU A 53 24.495 -5.235 -4.616 1.00 0.00 C ATOM 791 C GLU A 53 23.750 -4.885 -3.338 1.00 0.00 C ATOM 792 O GLU A 53 24.268 -5.081 -2.242 1.00 0.00 O ATOM 793 CB GLU A 53 23.912 -6.511 -5.226 1.00 0.00 C ATOM 794 CG GLU A 53 23.638 -7.608 -4.209 1.00 0.00 C ATOM 795 CD GLU A 53 23.221 -8.914 -4.856 1.00 0.00 C ATOM 796 OE1 GLU A 53 22.009 -9.100 -5.093 1.00 0.00 O ATOM 797 OE2 GLU A 53 24.109 -9.750 -5.129 1.00 0.00 O ATOM 0 H GLU A 53 26.111 -6.001 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 53 24.380 -4.421 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.983 -6.265 -5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.602 -6.891 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.533 -7.774 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.854 -7.278 -3.527 1.00 0.00 H new ATOM 804 N TRP A 54 22.544 -4.350 -3.479 1.00 0.00 N ATOM 805 CA TRP A 54 21.741 -3.998 -2.328 1.00 0.00 C ATOM 806 C TRP A 54 20.853 -5.169 -1.940 1.00 0.00 C ATOM 807 O TRP A 54 19.931 -5.553 -2.661 1.00 0.00 O ATOM 808 CB TRP A 54 20.917 -2.754 -2.639 1.00 0.00 C ATOM 809 CG TRP A 54 21.766 -1.547 -2.905 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.058 -0.996 -4.119 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.445 -0.751 -1.930 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.875 0.098 -3.956 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.126 0.269 -2.620 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.538 -0.804 -0.539 1.00 0.00 C ATOM 815 CZ2 TRP A 54 23.893 1.230 -1.961 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.297 0.148 0.115 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.966 1.154 -0.597 1.00 0.00 C ATOM 0 H TRP A 54 22.106 -4.153 -4.379 1.00 0.00 H new ATOM 0 HA TRP A 54 22.389 -3.773 -1.481 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.287 -2.948 -3.507 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.250 -2.547 -1.802 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.700 -1.365 -5.069 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.235 0.686 -4.707 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.026 -1.575 0.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.410 2.005 -2.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.376 0.117 1.192 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.551 1.884 -0.057 1.00 0.00 H new ATOM 828 N VAL A 55 21.162 -5.723 -0.776 1.00 0.00 N ATOM 829 CA VAL A 55 20.462 -6.875 -0.229 1.00 0.00 C ATOM 830 C VAL A 55 19.400 -6.421 0.757 1.00 0.00 C ATOM 831 O VAL A 55 19.614 -5.457 1.494 1.00 0.00 O ATOM 832 CB VAL A 55 21.452 -7.821 0.481 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.788 -8.559 1.627 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.053 -8.803 -0.510 1.00 0.00 C ATOM 0 H VAL A 55 21.915 -5.381 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 55 19.987 -7.410 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 55 22.253 -7.212 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.514 -9.217 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.415 -7.839 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.957 -9.152 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.749 -9.463 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.258 -9.397 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.584 -8.255 -1.289 1.00 0.00 H new ATOM 844 N TYR A 56 18.269 -7.126 0.784 1.00 0.00 N ATOM 845 CA TYR A 56 17.197 -6.788 1.719 1.00 0.00 C ATOM 846 C TYR A 56 15.913 -7.561 1.426 1.00 0.00 C ATOM 847 O TYR A 56 15.805 -8.219 0.391 1.00 0.00 O ATOM 848 CB TYR A 56 16.897 -5.287 1.680 1.00 0.00 C ATOM 849 CG TYR A 56 16.402 -4.811 0.329 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.246 -4.792 -0.775 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.091 -4.390 0.156 1.00 0.00 C ATOM 852 CE1 TYR A 56 16.800 -4.364 -2.009 1.00 0.00 C ATOM 853 CE2 TYR A 56 14.636 -3.963 -1.078 1.00 0.00 C ATOM 854 CZ TYR A 56 15.495 -3.952 -2.156 1.00 0.00 C ATOM 855 OH TYR A 56 15.048 -3.528 -3.386 1.00 0.00 O ATOM 0 H TYR A 56 18.073 -7.923 0.179 1.00 0.00 H new ATOM 0 HA TYR A 56 17.549 -7.069 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.148 -5.053 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.800 -4.736 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.270 -5.118 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.415 -4.396 0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.471 -4.352 -2.855 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.612 -3.640 -1.197 1.00 0.00 H new ATOM 0 HH TYR A 56 14.105 -3.771 -3.493 1.00 0.00 H new ATOM 865 N ASN A 57 14.946 -7.487 2.331 1.00 0.00 N ATOM 866 CA ASN A 57 13.685 -8.192 2.139 1.00 0.00 C ATOM 867 C ASN A 57 12.645 -7.272 1.513 1.00 0.00 C ATOM 868 O ASN A 57 12.906 -6.090 1.287 1.00 0.00 O ATOM 869 CB ASN A 57 13.170 -8.741 3.471 1.00 0.00 C ATOM 870 CG ASN A 57 14.169 -9.664 4.140 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.022 -9.222 4.910 1.00 0.00 O ATOM 872 ND2 ASN A 57 14.067 -10.957 3.851 1.00 0.00 N ATOM 0 H ASN A 57 15.009 -6.952 3.197 1.00 0.00 H new ATOM 0 HA ASN A 57 13.862 -9.027 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.942 -7.911 4.139 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.238 -9.280 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.711 -11.626 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.345 -11.280 3.207 1.00 0.00 H new ATOM 879 N THR A 58 11.465 -7.814 1.235 1.00 0.00 N ATOM 880 CA THR A 58 10.393 -7.035 0.632 1.00 0.00 C ATOM 881 C THR A 58 9.431 -6.523 1.697 1.00 0.00 C ATOM 882 O THR A 58 8.509 -7.228 2.107 1.00 0.00 O ATOM 883 CB THR A 58 9.608 -7.864 -0.401 1.00 0.00 C ATOM 884 OG1 THR A 58 10.513 -8.458 -1.340 1.00 0.00 O ATOM 885 CG2 THR A 58 8.604 -6.996 -1.144 1.00 0.00 C ATOM 0 H THR A 58 11.228 -8.789 1.418 1.00 0.00 H new ATOM 0 HA THR A 58 10.857 -6.189 0.125 1.00 0.00 H new ATOM 0 HB THR A 58 9.066 -8.646 0.131 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.007 -8.985 -1.993 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.062 -7.605 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.899 -6.565 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.130 -6.196 -1.664 1.00 0.00 H new ATOM 893 N PHE A 59 9.656 -5.293 2.149 1.00 0.00 N ATOM 894 CA PHE A 59 8.807 -4.692 3.171 1.00 0.00 C ATOM 895 C PHE A 59 7.439 -4.320 2.599 1.00 0.00 C ATOM 896 O PHE A 59 6.432 -4.940 2.935 1.00 0.00 O ATOM 897 CB PHE A 59 9.483 -3.465 3.799 1.00 0.00 C ATOM 898 CG PHE A 59 10.517 -2.808 2.929 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.829 -3.256 2.932 1.00 0.00 C ATOM 900 CD2 PHE A 59 10.181 -1.740 2.113 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.784 -2.652 2.140 1.00 0.00 C ATOM 902 CE2 PHE A 59 11.133 -1.133 1.317 1.00 0.00 C ATOM 903 CZ PHE A 59 12.436 -1.589 1.330 1.00 0.00 C ATOM 0 H PHE A 59 10.416 -4.695 1.825 1.00 0.00 H new ATOM 0 HA PHE A 59 8.657 -5.434 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.716 -2.731 4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.952 -3.765 4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.107 -4.088 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 59 9.164 -1.378 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.803 -3.010 2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.858 -0.302 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.181 -1.116 0.708 1.00 0.00 H new ATOM 913 N CYS A 60 7.408 -3.310 1.732 1.00 0.00 N ATOM 914 CA CYS A 60 6.158 -2.869 1.117 1.00 0.00 C ATOM 915 C CYS A 60 5.875 -3.682 -0.151 1.00 0.00 C ATOM 916 O CYS A 60 6.774 -4.335 -0.681 1.00 0.00 O ATOM 917 CB CYS A 60 6.225 -1.372 0.802 1.00 0.00 C ATOM 918 SG CYS A 60 6.869 -0.352 2.170 1.00 0.00 S ATOM 0 H CYS A 60 8.231 -2.783 1.440 1.00 0.00 H new ATOM 0 HA CYS A 60 5.340 -3.035 1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.855 -1.224 -0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.227 -1.022 0.540 1.00 0.00 H new ATOM 923 N ILE A 61 4.632 -3.639 -0.642 1.00 0.00 N ATOM 924 CA ILE A 61 4.261 -4.407 -1.830 1.00 0.00 C ATOM 925 C ILE A 61 3.176 -3.720 -2.671 1.00 0.00 C ATOM 926 O ILE A 61 3.190 -3.819 -3.898 1.00 0.00 O ATOM 927 CB ILE A 61 3.801 -5.830 -1.444 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.837 -5.774 -0.258 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.007 -6.703 -1.114 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.540 -7.124 0.361 1.00 0.00 C ATOM 0 H ILE A 61 3.875 -3.087 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 61 5.159 -4.468 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 61 3.277 -6.271 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.256 -5.120 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.901 -5.322 -0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.669 -7.703 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.661 -6.764 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.554 -6.267 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.849 -6.998 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.090 -7.776 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.467 -7.571 0.722 1.00 0.00 H new ATOM 942 N TYR A 62 2.245 -3.020 -2.017 1.00 0.00 N ATOM 943 CA TYR A 62 1.165 -2.313 -2.729 1.00 0.00 C ATOM 944 C TYR A 62 0.301 -3.256 -3.565 1.00 0.00 C ATOM 945 O TYR A 62 0.769 -3.914 -4.493 1.00 0.00 O ATOM 946 CB TYR A 62 1.732 -1.211 -3.630 1.00 0.00 C ATOM 947 CG TYR A 62 1.044 0.128 -3.468 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.338 0.233 -3.354 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.792 1.292 -3.407 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.945 1.466 -3.188 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.199 2.522 -3.236 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.168 2.607 -3.128 1.00 0.00 C ATOM 953 OH TYR A 62 -0.758 3.835 -2.957 1.00 0.00 O ATOM 0 H TYR A 62 2.213 -2.925 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 62 0.532 -1.868 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.794 -1.091 -3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.650 -1.527 -4.670 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.946 -0.659 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.867 1.233 -3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.020 1.536 -3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.804 3.415 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.067 4.530 -2.936 1.00 0.00 H new ATOM 963 N LYS A 63 -0.978 -3.291 -3.206 1.00 0.00 N ATOM 964 CA LYS A 63 -1.973 -4.114 -3.881 1.00 0.00 C ATOM 965 C LYS A 63 -3.367 -3.670 -3.446 1.00 0.00 C ATOM 966 O LYS A 63 -3.836 -4.030 -2.366 1.00 0.00 O ATOM 967 CB LYS A 63 -1.751 -5.600 -3.576 1.00 0.00 C ATOM 968 CG LYS A 63 -1.731 -5.928 -2.093 1.00 0.00 C ATOM 969 CD LYS A 63 -1.121 -7.295 -1.830 1.00 0.00 C ATOM 970 CE LYS A 63 0.362 -7.312 -2.135 1.00 0.00 C ATOM 971 NZ LYS A 63 0.953 -8.666 -1.952 1.00 0.00 N ATOM 0 H LYS A 63 -1.355 -2.744 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.876 -3.985 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.539 -6.181 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.807 -5.915 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.162 -5.167 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.747 -5.901 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.282 -7.571 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.627 -8.043 -2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.525 -6.981 -3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.874 -6.602 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.991 -8.597 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.648 -9.057 -1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.634 -9.291 -2.720 1.00 0.00 H new ATOM 985 N ARG A 64 -4.027 -2.879 -4.288 1.00 0.00 N ATOM 986 CA ARG A 64 -5.351 -2.357 -3.970 1.00 0.00 C ATOM 987 C ARG A 64 -6.459 -3.250 -4.516 1.00 0.00 C ATOM 988 O ARG A 64 -6.201 -4.202 -5.250 1.00 0.00 O ATOM 989 CB ARG A 64 -5.511 -0.935 -4.519 1.00 0.00 C ATOM 990 CG ARG A 64 -4.992 -0.760 -5.936 1.00 0.00 C ATOM 991 CD ARG A 64 -3.545 -0.294 -5.943 1.00 0.00 C ATOM 992 NE ARG A 64 -3.407 1.070 -5.438 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.604 1.981 -5.981 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.880 1.678 -7.051 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.528 3.197 -5.458 1.00 0.00 N ATOM 0 H ARG A 64 -3.666 -2.586 -5.196 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.440 -2.338 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.566 -0.663 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.986 -0.241 -3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.074 -1.704 -6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.612 -0.036 -6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.944 -0.969 -5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.152 -0.346 -6.958 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.958 1.339 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.939 0.745 -7.459 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.265 2.378 -7.466 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.086 3.435 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.912 3.894 -5.876 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.697 -2.916 -4.161 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.854 -3.679 -4.599 1.00 0.00 C ATOM 1011 C CYS A 65 -9.605 -2.902 -5.660 1.00 0.00 C ATOM 1012 O CYS A 65 -9.553 -1.672 -5.686 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.785 -3.962 -3.419 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.922 -4.330 -1.861 1.00 0.00 S ATOM 0 H CYS A 65 -7.921 -2.117 -3.568 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.511 -4.627 -5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.434 -3.099 -3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.429 -4.804 -3.672 1.00 0.00 H new ATOM 1019 N ARG A 66 -10.301 -3.607 -6.537 1.00 0.00 N ATOM 1020 CA ARG A 66 -11.048 -2.934 -7.582 1.00 0.00 C ATOM 1021 C ARG A 66 -12.141 -2.072 -6.965 1.00 0.00 C ATOM 1022 O ARG A 66 -12.841 -2.497 -6.049 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.643 -3.939 -8.571 1.00 0.00 C ATOM 1024 CG ARG A 66 -12.431 -3.291 -9.698 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.515 -2.596 -10.692 1.00 0.00 C ATOM 1026 NE ARG A 66 -10.744 -3.551 -11.483 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.617 -3.243 -12.120 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.125 -2.014 -12.046 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.983 -4.166 -12.830 1.00 0.00 N ATOM 0 H ARG A 66 -10.363 -4.625 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.364 -2.292 -8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.837 -4.536 -8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.295 -4.625 -8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.020 -4.049 -10.214 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.134 -2.569 -9.283 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.110 -1.970 -11.357 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.834 -1.935 -10.157 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.089 -4.509 -11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.611 -1.302 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.261 -1.780 -12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.359 -5.112 -12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.119 -3.930 -13.318 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.281 -0.864 -7.480 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.281 0.056 -6.972 1.00 0.00 C ATOM 1045 C HIS A 67 -14.674 -0.557 -7.087 1.00 0.00 C ATOM 1046 O HIS A 67 -15.103 -0.919 -8.183 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.222 1.365 -7.756 1.00 0.00 C ATOM 1048 CG HIS A 67 -11.846 1.945 -7.852 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -11.099 1.925 -9.013 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -11.080 2.571 -6.926 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -9.935 2.510 -8.796 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -9.898 2.911 -7.538 1.00 0.00 N ATOM 0 H HIS A 67 -11.717 -0.498 -8.247 1.00 0.00 H new ATOM 0 HA HIS A 67 -13.074 0.256 -5.921 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.606 1.194 -8.762 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.881 2.092 -7.282 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.349 2.766 -5.898 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.147 2.639 -9.524 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.118 3.395 -7.093 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.406 -0.689 -5.961 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.756 -1.258 -5.972 1.00 0.00 C ATOM 1063 C PRO A 68 -17.632 -0.549 -6.992 1.00 0.00 C ATOM 1064 O PRO A 68 -18.622 -1.106 -7.466 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.268 -1.053 -4.541 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.321 -0.081 -3.918 1.00 0.00 C ATOM 1067 CD PRO A 68 -15.001 -0.282 -4.609 1.00 0.00 C ATOM 0 HA PRO A 68 -16.768 -2.310 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.287 -0.665 -4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.284 -1.994 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.675 0.942 -4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.231 -0.258 -2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.407 0.632 -4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.399 -1.047 -4.119 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.259 0.677 -7.337 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.018 1.431 -8.309 1.00 0.00 C ATOM 1077 C GLY A 69 -18.885 2.510 -7.689 1.00 0.00 C ATOM 1078 O GLY A 69 -18.735 2.863 -6.520 1.00 0.00 O ATOM 0 H GLY A 69 -16.444 1.160 -6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.330 1.891 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.651 0.747 -8.875 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.791 3.023 -8.507 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.693 4.074 -8.064 1.00 0.00 C ATOM 1084 C GLU A 70 -21.831 3.489 -7.228 1.00 0.00 C ATOM 1085 O GLU A 70 -22.385 2.439 -7.554 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.246 4.860 -9.256 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.062 6.079 -8.853 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.249 7.097 -8.079 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.161 6.969 -6.840 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -20.698 8.024 -8.711 1.00 0.00 O ATOM 0 H GLU A 70 -19.921 2.731 -9.476 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.127 4.765 -7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.416 5.180 -9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.868 4.199 -9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.470 6.550 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.909 5.760 -8.246 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.169 4.187 -6.145 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.251 3.770 -5.256 1.00 0.00 C ATOM 1099 C LEU A 71 -24.538 4.469 -5.679 1.00 0.00 C ATOM 1100 O LEU A 71 -24.761 5.628 -5.327 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.910 4.130 -3.800 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.489 3.206 -2.715 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.118 3.723 -1.333 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.002 3.072 -2.840 1.00 0.00 C ATOM 0 H LEU A 71 -21.705 5.050 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.381 2.690 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.825 4.142 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.260 5.144 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.056 2.216 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.533 3.061 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.033 3.752 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.522 4.727 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.375 2.412 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.464 4.054 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.251 2.654 -3.816 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.386 3.777 -6.438 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.651 4.367 -6.866 1.00 0.00 C ATOM 1118 C ARG A 72 -27.504 4.665 -5.642 1.00 0.00 C ATOM 1119 O ARG A 72 -27.815 3.779 -4.844 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.387 3.464 -7.859 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.758 3.980 -8.259 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.405 3.083 -9.302 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.749 3.535 -9.657 1.00 0.00 N ATOM 1124 CZ ARG A 72 -31.485 2.979 -10.615 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -31.003 1.964 -11.320 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -32.702 3.439 -10.869 1.00 0.00 N ATOM 0 H ARG A 72 -25.224 2.824 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.446 5.300 -7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.776 3.352 -8.755 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.496 2.472 -7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.398 4.037 -7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.667 4.992 -8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.782 3.060 -10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.455 2.063 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 72 -31.145 4.321 -9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.066 1.609 -11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.569 1.539 -12.054 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -33.075 4.220 -10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -33.266 3.012 -11.604 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.870 5.940 -5.515 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.611 6.418 -4.363 1.00 0.00 C ATOM 1142 C ASN A 73 -27.728 6.191 -3.154 1.00 0.00 C ATOM 1143 O ASN A 73 -28.167 5.670 -2.130 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.956 5.697 -4.207 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.896 5.963 -5.367 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -31.626 6.953 -5.375 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -30.887 5.072 -6.351 1.00 0.00 N ATOM 0 H ASN A 73 -27.660 6.661 -6.206 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.853 7.474 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.782 4.624 -4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.430 6.016 -3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.502 5.194 -7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -30.265 4.265 -6.303 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.471 6.607 -3.281 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.525 6.420 -2.210 1.00 0.00 C ATOM 1156 C GLY A 74 -24.181 7.068 -2.486 1.00 0.00 C ATOM 1157 O GLY A 74 -23.964 7.635 -3.556 1.00 0.00 O ATOM 0 H GLY A 74 -26.097 7.070 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.939 6.833 -1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.380 5.353 -2.043 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.281 6.982 -1.510 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.952 7.572 -1.650 1.00 0.00 C ATOM 1163 C GLN A 75 -20.890 6.734 -0.942 1.00 0.00 C ATOM 1164 O GLN A 75 -20.513 7.025 0.194 1.00 0.00 O ATOM 1165 CB GLN A 75 -21.945 8.999 -1.096 1.00 0.00 C ATOM 1166 CG GLN A 75 -20.604 9.702 -1.236 1.00 0.00 C ATOM 1167 CD GLN A 75 -20.173 9.857 -2.682 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -21.004 9.977 -3.581 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -18.865 9.854 -2.912 1.00 0.00 N ATOM 0 H GLN A 75 -23.445 6.513 -0.619 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.710 7.596 -2.713 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.707 9.583 -1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.223 8.972 -0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -20.664 10.686 -0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -19.845 9.139 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -18.211 9.752 -2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.514 9.954 -3.865 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.422 5.680 -1.612 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.391 4.813 -1.048 1.00 0.00 C ATOM 1180 C VAL A 76 -18.225 5.639 -0.507 1.00 0.00 C ATOM 1181 O VAL A 76 -17.567 6.361 -1.259 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.876 3.788 -2.086 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -19.040 4.321 -3.493 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -17.427 3.405 -1.815 1.00 0.00 C ATOM 0 H VAL A 76 -20.740 5.408 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.847 4.261 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.479 2.885 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.671 3.584 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -20.094 4.518 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.472 5.245 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.096 2.684 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.800 4.295 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.347 2.962 -0.822 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.973 5.538 0.791 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.889 6.286 1.413 1.00 0.00 C ATOM 1196 C GLU A 77 -15.522 5.773 0.963 1.00 0.00 C ATOM 1197 O GLU A 77 -15.060 4.726 1.416 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.995 6.208 2.937 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.873 6.934 3.659 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.820 8.411 3.320 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -16.610 9.182 3.905 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -14.991 8.796 2.469 1.00 0.00 O ATOM 0 H GLU A 77 -18.503 4.947 1.432 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.983 7.325 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.950 6.630 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.994 5.161 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.003 6.817 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.921 6.471 3.400 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.881 6.522 0.072 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.559 6.162 -0.431 1.00 0.00 C ATOM 1211 C ILE A 78 -12.530 7.188 0.028 1.00 0.00 C ATOM 1212 O ILE A 78 -12.738 8.393 -0.120 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.536 6.070 -1.971 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.381 4.887 -2.452 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.104 5.950 -2.477 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.841 3.534 -2.030 1.00 0.00 C ATOM 0 H ILE A 78 -15.257 7.386 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.313 5.179 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.967 6.985 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.395 4.998 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.446 4.918 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.107 5.886 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.534 6.825 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.646 5.052 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.494 2.748 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.838 3.400 -2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.802 3.481 -0.942 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.423 6.711 0.584 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.383 7.604 1.076 1.00 0.00 C ATOM 1230 C LYS A 79 -9.077 6.868 1.294 1.00 0.00 C ATOM 1231 O LYS A 79 -8.208 7.331 2.035 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.821 8.231 2.394 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.896 7.242 3.554 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.839 6.089 3.278 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.002 5.219 4.509 1.00 0.00 C ATOM 1236 NZ LYS A 79 -10.694 4.907 5.150 1.00 0.00 N ATOM 0 H LYS A 79 -11.224 5.718 0.705 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.226 8.376 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.126 9.029 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.799 8.692 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.899 6.850 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.222 7.766 4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.811 6.474 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.456 5.490 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.646 5.725 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.501 4.290 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.858 4.427 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.141 4.286 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.169 5.789 5.315 1.00 0.00 H new ATOM 1250 N THR A 80 -8.935 5.732 0.645 1.00 0.00 N ATOM 1251 CA THR A 80 -7.732 4.942 0.795 1.00 0.00 C ATOM 1252 C THR A 80 -7.353 4.269 -0.506 1.00 0.00 C ATOM 1253 O THR A 80 -6.448 3.433 -0.535 1.00 0.00 O ATOM 1254 CB THR A 80 -7.906 3.876 1.889 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.998 3.009 1.561 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.157 4.530 3.240 1.00 0.00 C ATOM 0 H THR A 80 -9.632 5.337 0.013 1.00 0.00 H new ATOM 0 HA THR A 80 -6.933 5.624 1.085 1.00 0.00 H new ATOM 0 HB THR A 80 -6.988 3.292 1.949 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.203 2.436 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.277 3.759 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.311 5.166 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.063 5.134 3.189 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.043 4.630 -1.587 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.743 4.034 -2.887 1.00 0.00 C ATOM 1266 C ASP A 81 -7.880 2.520 -2.821 1.00 0.00 C ATOM 1267 O ASP A 81 -7.496 1.804 -3.747 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.309 4.371 -3.269 1.00 0.00 C ATOM 1269 CG ASP A 81 -6.063 5.865 -3.350 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.249 6.439 -4.444 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.685 6.460 -2.320 1.00 0.00 O ATOM 0 H ASP A 81 -8.797 5.317 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.442 4.429 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.630 3.934 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.077 3.916 -4.232 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.428 2.050 -1.709 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.605 0.627 -1.470 1.00 0.00 C ATOM 1278 C LEU A 82 -7.231 -0.033 -1.387 1.00 0.00 C ATOM 1279 O LEU A 82 -6.972 -1.029 -2.055 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.435 -0.010 -2.589 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.879 0.491 -2.726 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.544 0.616 -1.364 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.920 1.821 -3.463 1.00 0.00 C ATOM 0 H LEU A 82 -8.761 2.644 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.141 0.481 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.922 0.159 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.459 -1.088 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.435 -0.243 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.566 0.973 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.557 -0.358 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.986 1.323 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.953 2.158 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.342 2.561 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.494 1.698 -4.459 1.00 0.00 H new ATOM 1295 N SER A 83 -6.370 0.517 -0.538 1.00 0.00 N ATOM 1296 CA SER A 83 -5.006 0.011 -0.390 1.00 0.00 C ATOM 1297 C SER A 83 -4.935 -1.300 0.394 1.00 0.00 C ATOM 1298 O SER A 83 -3.925 -1.573 1.042 1.00 0.00 O ATOM 1299 CB SER A 83 -4.132 1.065 0.294 1.00 0.00 C ATOM 1300 OG SER A 83 -4.023 2.232 -0.501 1.00 0.00 O ATOM 0 H SER A 83 -6.590 1.314 0.059 1.00 0.00 H new ATOM 0 HA SER A 83 -4.637 -0.197 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.558 1.321 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.140 0.654 0.480 1.00 0.00 H new ATOM 0 HG SER A 83 -4.894 2.680 -0.546 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.983 -2.121 0.311 1.00 0.00 N ATOM 1307 CA PHE A 84 -6.019 -3.405 1.016 1.00 0.00 C ATOM 1308 C PHE A 84 -5.834 -3.221 2.520 1.00 0.00 C ATOM 1309 O PHE A 84 -4.948 -2.494 2.964 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.940 -4.346 0.469 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.733 -5.582 1.303 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.807 -6.382 1.660 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.464 -5.940 1.729 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.619 -7.516 2.427 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.271 -7.073 2.497 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.349 -7.862 2.846 1.00 0.00 C ATOM 0 H PHE A 84 -6.819 -1.920 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.001 -3.847 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.210 -4.644 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.998 -3.803 0.401 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.802 -6.116 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.617 -5.327 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.464 -8.131 2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.277 -7.341 2.824 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.200 -8.748 3.445 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.671 -3.887 3.309 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.570 -3.779 4.748 1.00 0.00 C ATOM 1328 C GLY A 85 -7.257 -2.535 5.268 1.00 0.00 C ATOM 1329 O GLY A 85 -6.932 -2.043 6.348 1.00 0.00 O ATOM 0 H GLY A 85 -7.416 -4.499 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.015 -4.660 5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.520 -3.762 5.038 1.00 0.00 H new ATOM 1333 N SER A 86 -8.213 -2.025 4.494 1.00 0.00 N ATOM 1334 CA SER A 86 -8.938 -0.826 4.884 1.00 0.00 C ATOM 1335 C SER A 86 -10.442 -1.042 4.877 1.00 0.00 C ATOM 1336 O SER A 86 -10.953 -2.014 4.321 1.00 0.00 O ATOM 1337 CB SER A 86 -8.591 0.345 3.963 1.00 0.00 C ATOM 1338 OG SER A 86 -7.206 0.638 4.006 1.00 0.00 O ATOM 0 H SER A 86 -8.499 -2.423 3.600 1.00 0.00 H new ATOM 0 HA SER A 86 -8.630 -0.592 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.883 0.106 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.161 1.226 4.260 1.00 0.00 H new ATOM 0 HG SER A 86 -7.012 1.389 3.407 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.130 -0.108 5.511 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.579 -0.149 5.606 1.00 0.00 C ATOM 1346 C GLN A 87 -13.186 1.044 4.874 1.00 0.00 C ATOM 1347 O GLN A 87 -12.728 2.177 5.031 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.006 -0.165 7.079 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.434 0.301 7.328 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.518 1.798 7.562 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -14.368 2.272 8.688 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.771 2.548 6.498 1.00 0.00 N ATOM 0 H GLN A 87 -10.703 0.696 5.972 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.945 -1.060 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.895 -1.178 7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.326 0.469 7.648 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.055 0.034 6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.839 -0.223 8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.888 2.112 5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.848 3.560 6.594 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.203 0.780 4.060 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.882 1.835 3.314 1.00 0.00 C ATOM 1363 C ILE A 88 -16.385 1.771 3.546 1.00 0.00 C ATOM 1364 O ILE A 88 -17.048 0.815 3.145 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.591 1.755 1.801 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.870 0.349 1.269 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.150 2.156 1.519 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.053 0.299 -0.233 1.00 0.00 C ATOM 0 H ILE A 88 -14.576 -0.156 3.900 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.494 2.785 3.683 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.254 2.451 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.046 -0.307 1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.767 -0.042 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.958 2.095 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.983 3.178 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.475 1.483 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.247 -0.728 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.895 0.929 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.148 0.660 -0.722 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.914 2.792 4.206 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.332 2.853 4.506 1.00 0.00 C ATOM 1382 C GLU A 89 -19.156 3.158 3.262 1.00 0.00 C ATOM 1383 O GLU A 89 -18.616 3.355 2.175 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.590 3.914 5.574 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.399 3.411 6.995 1.00 0.00 C ATOM 1386 CD GLU A 89 -18.797 4.439 8.035 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.990 4.479 8.405 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -17.917 5.206 8.479 1.00 0.00 O ATOM 0 H GLU A 89 -16.377 3.591 4.544 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.639 1.875 4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.921 4.758 5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.608 4.287 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.990 2.506 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.354 3.136 7.142 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.470 3.174 3.440 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.406 3.472 2.362 1.00 0.00 C ATOM 1397 C PHE A 90 -22.579 4.258 2.929 1.00 0.00 C ATOM 1398 O PHE A 90 -22.977 4.034 4.072 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.904 2.184 1.702 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.807 1.327 1.139 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.192 0.361 1.922 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.393 1.484 -0.176 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.186 -0.430 1.403 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.388 0.694 -0.699 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.784 -0.265 0.092 1.00 0.00 C ATOM 0 H PHE A 90 -20.918 2.981 4.336 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.898 4.064 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.465 1.604 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.598 2.442 0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.503 0.226 2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.862 2.232 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.713 -1.178 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.075 0.825 -1.724 1.00 0.00 H new ATOM 0 HZ PHE A 90 -17.998 -0.885 -0.315 1.00 0.00 H new ATOM 1415 N SER A 91 -23.138 5.177 2.150 1.00 0.00 N ATOM 1416 CA SER A 91 -24.250 5.990 2.629 1.00 0.00 C ATOM 1417 C SER A 91 -25.389 6.059 1.619 1.00 0.00 C ATOM 1418 O SER A 91 -25.216 6.538 0.504 1.00 0.00 O ATOM 1419 CB SER A 91 -23.765 7.402 2.957 1.00 0.00 C ATOM 1420 OG SER A 91 -22.720 7.374 3.915 1.00 0.00 O ATOM 0 H SER A 91 -22.844 5.377 1.194 1.00 0.00 H new ATOM 0 HA SER A 91 -24.635 5.513 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.415 7.890 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.596 7.996 3.338 1.00 0.00 H new ATOM 0 HG SER A 91 -22.427 8.289 4.106 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.554 5.591 2.044 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.727 5.626 1.175 1.00 0.00 C ATOM 1428 C CYS A 92 -28.399 6.994 1.287 1.00 0.00 C ATOM 1429 O CYS A 92 -28.781 7.421 2.375 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.709 4.501 1.515 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.164 2.845 0.975 1.00 0.00 S ATOM 0 H CYS A 92 -26.714 5.189 2.968 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.406 5.468 0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -28.867 4.486 2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.672 4.723 1.055 1.00 0.00 H new ATOM 1436 N SER A 93 -28.528 7.674 0.147 1.00 0.00 N ATOM 1437 CA SER A 93 -29.121 9.013 0.105 1.00 0.00 C ATOM 1438 C SER A 93 -30.447 9.088 0.851 1.00 0.00 C ATOM 1439 O SER A 93 -31.031 8.070 1.218 1.00 0.00 O ATOM 1440 CB SER A 93 -29.333 9.457 -1.342 1.00 0.00 C ATOM 1441 OG SER A 93 -28.102 9.776 -1.967 1.00 0.00 O ATOM 0 H SER A 93 -28.229 7.319 -0.762 1.00 0.00 H new ATOM 0 HA SER A 93 -28.418 9.681 0.603 1.00 0.00 H new ATOM 0 HB2 SER A 93 -29.832 8.664 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 93 -29.991 10.325 -1.366 1.00 0.00 H new ATOM 0 HG SER A 93 -28.267 10.055 -2.892 1.00 0.00 H new ATOM 1447 N GLU A 94 -30.914 10.318 1.059 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.173 10.571 1.749 1.00 0.00 C ATOM 1449 C GLU A 94 -33.267 9.626 1.256 1.00 0.00 C ATOM 1450 O GLU A 94 -33.264 9.202 0.101 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.596 12.027 1.534 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.048 12.300 1.881 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.387 13.778 1.859 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.753 14.288 0.780 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.285 14.425 2.923 1.00 0.00 O ATOM 0 H GLU A 94 -30.431 11.163 0.754 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.026 10.391 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -31.960 12.674 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.424 12.295 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.691 11.773 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.263 11.897 2.871 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.203 9.309 2.148 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.298 8.418 1.804 1.00 0.00 C ATOM 1464 C GLY A 95 -34.870 6.970 1.692 1.00 0.00 C ATOM 1465 O GLY A 95 -35.652 6.069 1.984 1.00 0.00 O ATOM 0 H GLY A 95 -34.222 9.655 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.079 8.503 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.734 8.736 0.857 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.633 6.734 1.272 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.140 5.372 1.117 1.00 0.00 C ATOM 1471 C PHE A 96 -32.077 5.084 2.173 1.00 0.00 C ATOM 1472 O PHE A 96 -31.193 5.904 2.410 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.542 5.161 -0.277 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.396 5.677 -1.400 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.516 4.978 -1.817 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.068 6.858 -2.046 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.297 5.448 -2.856 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.844 7.333 -3.086 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.960 6.627 -3.491 1.00 0.00 C ATOM 0 H PHE A 96 -32.958 7.461 1.035 1.00 0.00 H new ATOM 0 HA PHE A 96 -33.980 4.689 1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.570 5.651 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.369 4.096 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.783 4.055 -1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.196 7.413 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -36.169 4.894 -3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.578 8.255 -3.582 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.568 6.997 -4.303 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.168 3.923 2.813 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.196 3.557 3.835 1.00 0.00 C ATOM 1491 C PHE A 97 -30.301 2.426 3.358 1.00 0.00 C ATOM 1492 O PHE A 97 -30.539 1.813 2.317 1.00 0.00 O ATOM 1493 CB PHE A 97 -31.888 3.194 5.155 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.817 2.015 5.081 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.981 2.073 4.332 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.532 0.854 5.781 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.842 0.993 4.279 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.392 -0.228 5.736 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.548 -0.158 4.983 1.00 0.00 C ATOM 0 H PHE A 97 -32.895 3.228 2.645 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.566 4.427 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.123 2.989 5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.451 4.060 5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.218 2.972 3.783 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.628 0.793 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.744 1.049 3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.160 -1.126 6.289 1.00 0.00 H new ATOM 0 HZ PHE A 97 -35.221 -1.002 4.945 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.272 2.158 4.151 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.306 1.125 3.817 1.00 0.00 C ATOM 1511 C LEU A 98 -28.691 -0.221 4.411 1.00 0.00 C ATOM 1512 O LEU A 98 -29.186 -0.303 5.535 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.918 1.522 4.307 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.793 0.602 3.840 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.490 1.371 3.754 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.655 -0.591 4.772 1.00 0.00 C ATOM 0 H LEU A 98 -29.087 2.642 5.029 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.297 1.026 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.704 2.536 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.924 1.543 5.397 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.039 0.227 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.695 0.704 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.598 2.191 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.238 1.772 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.848 -1.235 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.429 -0.241 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.589 -1.153 4.784 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.451 -1.270 3.637 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.735 -2.646 4.038 1.00 0.00 C ATOM 1530 C ILE A 99 -27.845 -3.584 3.242 1.00 0.00 C ATOM 1531 O ILE A 99 -28.024 -3.785 2.041 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.200 -3.044 3.761 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.128 -1.841 3.901 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.629 -4.159 4.703 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.381 -1.940 3.060 1.00 0.00 C ATOM 0 H ILE A 99 -28.049 -1.192 2.703 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.550 -2.718 5.110 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.268 -3.405 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.411 -1.731 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.584 -0.939 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.664 -4.431 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.989 -5.028 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.541 -3.818 5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.992 -1.050 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.108 -2.018 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.948 -2.823 3.354 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.878 -4.152 3.953 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.917 -5.057 3.355 1.00 0.00 C ATOM 1549 C GLY A 100 -24.693 -5.212 4.230 1.00 0.00 C ATOM 1550 O GLY A 100 -24.334 -6.318 4.638 1.00 0.00 O ATOM 0 H GLY A 100 -26.742 -3.997 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.380 -6.031 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.622 -4.682 2.375 1.00 0.00 H new ATOM 1554 N SER A 101 -24.072 -4.075 4.514 1.00 0.00 N ATOM 1555 CA SER A 101 -22.874 -3.991 5.338 1.00 0.00 C ATOM 1556 C SER A 101 -22.294 -2.596 5.182 1.00 0.00 C ATOM 1557 O SER A 101 -21.664 -2.294 4.168 1.00 0.00 O ATOM 1558 CB SER A 101 -21.837 -5.037 4.917 1.00 0.00 C ATOM 1559 OG SER A 101 -20.675 -4.956 5.722 1.00 0.00 O ATOM 0 H SER A 101 -24.393 -3.169 4.172 1.00 0.00 H new ATOM 0 HA SER A 101 -23.135 -4.187 6.378 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.269 -6.034 4.996 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.570 -4.888 3.871 1.00 0.00 H new ATOM 0 HG SER A 101 -20.019 -4.368 5.292 1.00 0.00 H new ATOM 1565 N THR A 102 -22.505 -1.739 6.176 1.00 0.00 N ATOM 1566 CA THR A 102 -22.027 -0.368 6.095 1.00 0.00 C ATOM 1567 C THR A 102 -20.516 -0.319 6.004 1.00 0.00 C ATOM 1568 O THR A 102 -19.938 0.735 5.749 1.00 0.00 O ATOM 1569 CB THR A 102 -22.480 0.472 7.304 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.918 -0.059 8.509 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.996 0.493 7.418 1.00 0.00 C ATOM 0 H THR A 102 -22.999 -1.969 7.038 1.00 0.00 H new ATOM 0 HA THR A 102 -22.462 0.055 5.190 1.00 0.00 H new ATOM 0 HB THR A 102 -22.129 1.493 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.210 0.482 9.272 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.288 1.093 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.423 0.926 6.513 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.366 -0.525 7.543 1.00 0.00 H new ATOM 1579 N THR A 103 -19.878 -1.454 6.217 1.00 0.00 N ATOM 1580 CA THR A 103 -18.438 -1.524 6.140 1.00 0.00 C ATOM 1581 C THR A 103 -18.017 -2.452 5.016 1.00 0.00 C ATOM 1582 O THR A 103 -18.776 -3.330 4.607 1.00 0.00 O ATOM 1583 CB THR A 103 -17.834 -1.995 7.464 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.328 -3.297 7.801 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.167 -1.011 8.572 1.00 0.00 C ATOM 0 H THR A 103 -20.336 -2.337 6.444 1.00 0.00 H new ATOM 0 HA THR A 103 -18.064 -0.521 5.935 1.00 0.00 H new ATOM 0 HB THR A 103 -16.751 -2.048 7.352 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.933 -3.587 8.649 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.732 -1.357 9.509 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.760 -0.031 8.323 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.249 -0.937 8.680 1.00 0.00 H new ATOM 1593 N SER A 104 -16.806 -2.255 4.515 1.00 0.00 N ATOM 1594 CA SER A 104 -16.269 -3.096 3.462 1.00 0.00 C ATOM 1595 C SER A 104 -14.765 -3.234 3.668 1.00 0.00 C ATOM 1596 O SER A 104 -14.025 -2.257 3.553 1.00 0.00 O ATOM 1597 CB SER A 104 -16.570 -2.500 2.085 1.00 0.00 C ATOM 1598 OG SER A 104 -16.383 -3.460 1.061 1.00 0.00 O ATOM 0 H SER A 104 -16.176 -1.515 4.825 1.00 0.00 H new ATOM 0 HA SER A 104 -16.739 -4.079 3.505 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.596 -2.133 2.061 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.921 -1.643 1.907 1.00 0.00 H new ATOM 0 HG SER A 104 -15.499 -3.337 0.655 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.317 -4.445 3.970 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.902 -4.705 4.220 1.00 0.00 C ATOM 1606 C ARG A 105 -12.200 -5.201 2.968 1.00 0.00 C ATOM 1607 O ARG A 105 -12.670 -6.121 2.298 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.745 -5.734 5.339 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.463 -5.351 6.621 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.254 -6.388 7.711 1.00 0.00 C ATOM 1611 NE ARG A 105 -13.944 -6.027 8.946 1.00 0.00 N ATOM 1612 CZ ARG A 105 -13.769 -6.661 10.101 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.933 -7.687 10.179 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -14.431 -6.267 11.181 1.00 0.00 N ATOM 0 H ARG A 105 -14.915 -5.268 4.049 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.440 -3.765 4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.124 -6.696 4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.684 -5.868 5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.101 -4.382 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.529 -5.241 6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.614 -7.357 7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.188 -6.496 7.909 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.597 -5.244 8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.422 -7.992 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.801 -8.171 11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.074 -5.477 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.297 -6.754 12.067 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.060 -4.594 2.673 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.276 -4.963 1.511 1.00 0.00 C ATOM 1630 C CYS A 106 -9.458 -6.194 1.841 1.00 0.00 C ATOM 1631 O CYS A 106 -8.566 -6.148 2.686 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.365 -3.810 1.091 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.788 -3.077 -0.519 1.00 0.00 S ATOM 0 H CYS A 106 -10.658 -3.839 3.229 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.943 -5.183 0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.406 -3.033 1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.336 -4.168 1.056 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.771 -7.293 1.181 1.00 0.00 N ATOM 1639 CA GLU A 107 -9.105 -8.546 1.449 1.00 0.00 C ATOM 1640 C GLU A 107 -8.233 -8.970 0.278 1.00 0.00 C ATOM 1641 O GLU A 107 -8.365 -8.452 -0.830 1.00 0.00 O ATOM 1642 CB GLU A 107 -10.154 -9.606 1.770 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.575 -10.925 2.254 1.00 0.00 C ATOM 1644 CD GLU A 107 -10.642 -11.898 2.714 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -11.004 -11.862 3.910 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -11.115 -12.699 1.881 1.00 0.00 O ATOM 0 H GLU A 107 -10.485 -7.340 0.454 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.443 -8.424 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.828 -9.216 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.754 -9.790 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.996 -11.380 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.884 -10.734 3.075 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.340 -9.907 0.545 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.433 -10.385 -0.486 1.00 0.00 C ATOM 1655 C VAL A 108 -6.305 -11.901 -0.523 1.00 0.00 C ATOM 1656 O VAL A 108 -6.077 -12.558 0.493 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.039 -9.748 -0.328 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.956 -10.613 -0.959 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -5.030 -8.361 -0.940 1.00 0.00 C ATOM 0 H VAL A 108 -7.223 -10.349 1.457 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.873 -10.079 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.822 -9.671 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.986 -10.134 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.945 -11.591 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.161 -10.735 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.041 -7.918 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.275 -8.429 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.768 -7.737 -0.437 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.460 -12.427 -1.730 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.347 -13.854 -1.978 1.00 0.00 C ATOM 1671 C GLN A 109 -5.161 -14.108 -2.898 1.00 0.00 C ATOM 1672 O GLN A 109 -5.258 -13.921 -4.112 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.638 -14.383 -2.607 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.867 -14.153 -1.742 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.166 -14.339 -2.503 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.239 -15.126 -3.447 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.200 -13.612 -2.092 1.00 0.00 N ATOM 0 H GLN A 109 -6.667 -11.876 -2.563 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.188 -14.378 -1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.787 -13.901 -3.573 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.530 -15.451 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.845 -14.841 -0.897 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.833 -13.144 -1.332 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.093 -12.972 -1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.101 -13.694 -2.564 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.040 -14.523 -2.314 1.00 0.00 N ATOM 1687 CA ASP A 110 -2.827 -14.769 -3.080 1.00 0.00 C ATOM 1688 C ASP A 110 -2.319 -13.455 -3.671 1.00 0.00 C ATOM 1689 O ASP A 110 -2.522 -12.390 -3.088 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.100 -15.788 -4.184 1.00 0.00 C ATOM 1691 CG ASP A 110 -3.374 -17.175 -3.639 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -4.526 -17.436 -3.231 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -2.437 -18.001 -3.619 1.00 0.00 O ATOM 0 H ASP A 110 -3.949 -14.695 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.060 -15.177 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -3.954 -15.458 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.243 -15.828 -4.857 1.00 0.00 H new ATOM 1698 N ARG A 111 -1.662 -13.526 -4.824 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.145 -12.331 -5.477 1.00 0.00 C ATOM 1700 C ARG A 111 -2.259 -11.576 -6.191 1.00 0.00 C ATOM 1701 O ARG A 111 -2.006 -10.784 -7.100 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.038 -12.700 -6.466 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.493 -13.644 -7.565 1.00 0.00 C ATOM 1704 CD ARG A 111 0.668 -14.064 -8.453 1.00 0.00 C ATOM 1705 NE ARG A 111 0.247 -14.967 -9.521 1.00 0.00 N ATOM 1706 CZ ARG A 111 0.912 -15.120 -10.662 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.014 -14.416 -10.891 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.476 -15.973 -11.579 1.00 0.00 N ATOM 0 H ARG A 111 -1.476 -14.396 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 111 -0.728 -11.679 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.351 -11.788 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.786 -13.161 -5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -0.951 -14.528 -7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.258 -13.158 -8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.129 -13.178 -8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.430 -14.553 -7.845 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.605 -15.511 -9.384 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.352 -13.756 -10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.522 -14.535 -11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.372 -16.514 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.989 -16.088 -12.453 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.495 -11.822 -5.768 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.633 -11.159 -6.367 1.00 0.00 C ATOM 1724 C GLY A 112 -5.630 -10.693 -5.329 1.00 0.00 C ATOM 1725 O GLY A 112 -6.327 -11.504 -4.718 1.00 0.00 O ATOM 0 H GLY A 112 -3.727 -12.472 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.289 -10.304 -6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.125 -11.840 -7.062 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.692 -9.383 -5.126 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.608 -8.800 -4.154 1.00 0.00 C ATOM 1731 C VAL A 113 -8.025 -9.298 -4.406 1.00 0.00 C ATOM 1732 O VAL A 113 -8.447 -9.437 -5.554 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.566 -7.268 -4.208 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -7.013 -6.661 -2.893 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.162 -6.804 -4.571 1.00 0.00 C ATOM 0 H VAL A 113 -5.117 -8.703 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.293 -9.112 -3.158 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.260 -6.928 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.973 -5.574 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.035 -6.973 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.354 -6.999 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.137 -5.715 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.456 -7.158 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.886 -7.207 -5.546 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.752 -9.565 -3.331 1.00 0.00 N ATOM 1746 CA GLY A 114 -10.084 -10.106 -3.533 1.00 0.00 C ATOM 1747 C GLY A 114 -11.190 -9.536 -2.665 1.00 0.00 C ATOM 1748 O GLY A 114 -11.443 -10.067 -1.584 1.00 0.00 O ATOM 0 H GLY A 114 -8.463 -9.426 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.358 -9.954 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.043 -11.183 -3.368 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.849 -8.460 -3.098 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.962 -7.866 -2.349 1.00 0.00 C ATOM 1754 C TRP A 115 -13.874 -8.936 -1.751 1.00 0.00 C ATOM 1755 O TRP A 115 -13.949 -10.056 -2.255 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.797 -6.956 -3.259 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.524 -5.492 -3.088 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.247 -4.592 -4.076 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.513 -4.753 -1.861 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -13.067 -3.340 -3.539 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.222 -3.413 -2.182 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.719 -5.092 -0.521 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.136 -2.416 -1.215 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.632 -4.099 0.436 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.342 -2.777 0.086 1.00 0.00 C ATOM 0 H TRP A 115 -11.630 -7.978 -3.970 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.526 -7.283 -1.538 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.609 -7.230 -4.297 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.854 -7.141 -3.067 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.179 -4.829 -5.127 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.853 -2.494 -4.067 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.942 -6.110 -0.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.914 -1.394 -1.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.791 -4.349 1.475 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.280 -2.026 0.860 1.00 0.00 H new ATOM 1776 N SER A 116 -14.574 -8.575 -0.678 1.00 0.00 N ATOM 1777 CA SER A 116 -15.485 -9.500 -0.015 1.00 0.00 C ATOM 1778 C SER A 116 -16.940 -9.155 -0.333 1.00 0.00 C ATOM 1779 O SER A 116 -17.775 -10.043 -0.511 1.00 0.00 O ATOM 1780 CB SER A 116 -15.263 -9.475 1.498 1.00 0.00 C ATOM 1781 OG SER A 116 -15.514 -8.186 2.029 1.00 0.00 O ATOM 0 H SER A 116 -14.527 -7.650 -0.251 1.00 0.00 H new ATOM 0 HA SER A 116 -15.277 -10.503 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.918 -10.203 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.239 -9.771 1.723 1.00 0.00 H new ATOM 0 HG SER A 116 -15.367 -8.197 2.998 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.237 -7.857 -0.401 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.592 -7.390 -0.693 1.00 0.00 C ATOM 1789 C HIS A 117 -18.572 -5.953 -1.219 1.00 0.00 C ATOM 1790 O HIS A 117 -17.868 -5.101 -0.679 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.459 -7.470 0.564 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.913 -7.215 0.314 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.766 -8.168 -0.202 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.667 -6.109 0.515 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.980 -7.659 -0.309 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.947 -6.410 0.120 1.00 0.00 N ATOM 0 H HIS A 117 -16.557 -7.110 -0.258 1.00 0.00 H new ATOM 0 HA HIS A 117 -19.015 -8.035 -1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.345 -8.458 1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.093 -6.747 1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.325 -5.165 0.912 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.851 -8.176 -0.683 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.743 -5.773 0.152 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.349 -5.666 -2.281 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.416 -4.339 -2.877 1.00 0.00 C ATOM 1807 C PRO A 118 -20.535 -3.479 -2.290 1.00 0.00 C ATOM 1808 O PRO A 118 -20.968 -3.695 -1.159 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.698 -4.664 -4.339 1.00 0.00 C ATOM 1810 CG PRO A 118 -20.540 -5.899 -4.296 1.00 0.00 C ATOM 1811 CD PRO A 118 -20.216 -6.614 -3.002 1.00 0.00 C ATOM 0 HA PRO A 118 -18.512 -3.756 -2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.221 -3.845 -4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.774 -4.833 -4.893 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.599 -5.645 -4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -20.329 -6.539 -5.153 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -21.118 -6.841 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.708 -7.561 -3.185 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.986 -2.498 -3.072 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.046 -1.589 -2.659 1.00 0.00 C ATOM 1821 C LEU A 119 -23.191 -2.317 -1.959 1.00 0.00 C ATOM 1822 O LEU A 119 -23.478 -3.477 -2.257 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.598 -0.848 -3.879 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.560 -0.340 -4.884 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.363 0.258 -4.163 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -21.134 -1.450 -5.835 1.00 0.00 C ATOM 0 H LEU A 119 -20.625 -2.314 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.610 -0.886 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.286 -1.512 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.182 0.003 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 119 -22.020 0.448 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.637 0.613 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.691 1.092 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.901 -0.502 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.397 -1.063 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.697 -2.270 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -22.003 -1.813 -6.383 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.864 -1.632 -1.015 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.992 -2.192 -0.280 1.00 0.00 C ATOM 1840 C PRO A 120 -26.301 -2.008 -1.040 1.00 0.00 C ATOM 1841 O PRO A 120 -26.295 -1.735 -2.240 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.996 -1.366 1.002 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.512 -0.021 0.574 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.567 -0.250 -0.582 1.00 0.00 C ATOM 0 HA PRO A 120 -24.902 -3.266 -0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.994 -1.310 1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.343 -1.802 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.346 0.613 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -24.005 0.487 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.738 0.466 -1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.527 -0.142 -0.275 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.422 -2.158 -0.342 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.731 -2.003 -0.949 1.00 0.00 C ATOM 1854 C GLN A 121 -29.426 -0.741 -0.443 1.00 0.00 C ATOM 1855 O GLN A 121 -29.724 -0.623 0.745 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.588 -3.223 -0.630 1.00 0.00 C ATOM 1857 CG GLN A 121 -29.226 -4.457 -1.440 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.056 -5.667 -1.058 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -30.484 -5.803 0.088 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -30.288 -6.554 -2.019 1.00 0.00 N ATOM 0 H GLN A 121 -27.445 -2.388 0.651 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.601 -1.912 -2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -29.492 -3.455 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.635 -2.977 -0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.365 -4.245 -2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -28.170 -4.685 -1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.914 -6.401 -2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -30.841 -7.388 -1.821 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.683 0.200 -1.348 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.357 1.436 -0.966 1.00 0.00 C ATOM 1871 C CYS A 122 -31.836 1.356 -1.335 1.00 0.00 C ATOM 1872 O CYS A 122 -32.197 1.414 -2.510 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.703 2.646 -1.638 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.018 3.012 -1.043 1.00 0.00 S ATOM 0 H CYS A 122 -29.439 0.132 -2.336 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.266 1.561 0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.667 2.475 -2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.332 3.521 -1.476 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.686 1.219 -0.321 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.125 1.107 -0.537 1.00 0.00 C ATOM 1881 C GLU A 123 -34.873 2.174 0.255 1.00 0.00 C ATOM 1882 O GLU A 123 -34.472 2.556 1.354 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.610 -0.285 -0.122 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.106 -0.493 -0.296 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.530 -0.493 -1.752 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.832 0.597 -2.282 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.560 -1.583 -2.360 1.00 0.00 O ATOM 0 H GLU A 123 -32.403 1.183 0.658 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.327 1.257 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.078 -1.034 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.349 -0.454 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.393 -1.440 0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.642 0.294 0.235 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.968 2.645 -0.334 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.792 3.681 0.276 1.00 0.00 C ATOM 1896 C ILE A 124 -37.324 3.239 1.635 1.00 0.00 C ATOM 1897 O ILE A 124 -37.619 2.061 1.845 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.978 4.053 -0.638 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.823 5.160 -0.004 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.831 2.828 -0.927 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -38.134 6.508 0.030 1.00 0.00 C ATOM 0 H ILE A 124 -36.306 2.322 -1.240 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.156 4.556 0.414 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.580 4.427 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.758 5.253 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -39.083 4.869 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.663 3.108 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.224 2.071 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.218 2.425 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -38.793 7.242 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -37.213 6.432 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -37.899 6.822 -0.987 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.439 4.191 2.554 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.936 3.910 3.895 1.00 0.00 C ATOM 1915 C LEU A 125 -39.097 4.833 4.250 1.00 0.00 C ATOM 1916 O LEU A 125 -39.874 4.547 5.160 1.00 0.00 O ATOM 1917 CB LEU A 125 -36.807 4.061 4.918 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.145 5.442 4.976 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.952 6.390 5.850 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -34.718 5.325 5.488 1.00 0.00 C ATOM 0 H LEU A 125 -37.194 5.168 2.393 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.299 2.883 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -37.203 3.826 5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -36.040 3.319 4.697 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.117 5.852 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.464 7.364 5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.956 6.498 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.015 5.988 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.262 6.314 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -34.725 4.893 6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -34.143 4.684 4.820 1.00 0.00 H new