USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 917 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 39 GLN : amide:sc= 0.327 K(o=0.67,f=0) USER MOD Set 1.2: A 41 TYR OH : rot -68:sc= 0.346 USER MOD Set 1.3: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 TYR OH : rot 15:sc= -1.03 USER MOD Set 2.2: A 38 CYS SG : rot -39:sc= 0.456 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -52:sc= 0.39 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.211) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.232 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= -0.897 (180deg=-2.67!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 120:sc= 0.284 USER MOD Single : A 43 SER OG : rot -120:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 47 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.31) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot -93:sc= 0.924 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 27:sc= 0.0969 USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0.0781 (180deg=0.0719) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.223 (180deg=-1.49) USER MOD Single : A 77 THR OG1 : rot -101:sc= 1.51 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0403) USER MOD Single : A 90 GLN : amide:sc= -0.047 K(o=-0.047,f=-0.67) USER MOD Single : A 92 MET CE :methyl -174:sc= -1.39 (180deg=-1.57) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.3) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.904 F(o=-1.7!,f=-0.9) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -165:sc=-0.00119 (180deg=-0.082) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.061) USER MOD Single : A 108 ASN : amide:sc= -3.16! C(o=-3.2!,f=-2.7!) USER MOD Single : A 109 SER OG : rot -73:sc= 0.177 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.309 14.356 4.670 1.00 0.00 N ATOM 2 CA GLY A 1 -19.049 15.556 4.326 1.00 0.00 C ATOM 3 C GLY A 1 -19.517 16.319 5.549 1.00 0.00 C ATOM 4 O GLY A 1 -18.755 17.084 6.141 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.011 13.870 3.800 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.470 14.614 5.227 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.915 13.723 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.420 16.204 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.912 15.285 3.718 1.00 0.00 H new ATOM 8 N SER A 2 -20.774 16.114 5.928 1.00 0.00 N ATOM 9 CA SER A 2 -21.344 16.793 7.085 1.00 0.00 C ATOM 10 C SER A 2 -20.618 16.389 8.365 1.00 0.00 C ATOM 11 O SER A 2 -20.084 17.234 9.082 1.00 0.00 O ATOM 12 CB SER A 2 -22.835 16.472 7.208 1.00 0.00 C ATOM 13 OG SER A 2 -23.451 17.279 8.196 1.00 0.00 O ATOM 0 H SER A 2 -21.417 15.483 5.450 1.00 0.00 H new ATOM 0 HA SER A 2 -21.221 17.867 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.325 16.631 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.964 15.420 7.461 1.00 0.00 H new ATOM 0 HG SER A 2 -24.403 17.056 8.254 1.00 0.00 H new ATOM 19 N SER A 3 -20.603 15.089 8.644 1.00 0.00 N ATOM 20 CA SER A 3 -19.946 14.571 9.838 1.00 0.00 C ATOM 21 C SER A 3 -18.439 14.795 9.769 1.00 0.00 C ATOM 22 O SER A 3 -17.794 14.454 8.778 1.00 0.00 O ATOM 23 CB SER A 3 -20.245 13.080 10.004 1.00 0.00 C ATOM 24 OG SER A 3 -19.777 12.602 11.253 1.00 0.00 O ATOM 0 H SER A 3 -21.038 14.376 8.059 1.00 0.00 H new ATOM 0 HA SER A 3 -20.337 15.111 10.701 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.319 12.910 9.925 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.774 12.519 9.197 1.00 0.00 H new ATOM 0 HG SER A 3 -19.982 11.647 11.335 1.00 0.00 H new ATOM 30 N GLY A 4 -17.883 15.371 10.831 1.00 0.00 N ATOM 31 CA GLY A 4 -16.456 15.631 10.871 1.00 0.00 C ATOM 32 C GLY A 4 -15.646 14.379 11.144 1.00 0.00 C ATOM 33 O GLY A 4 -14.884 14.322 12.109 1.00 0.00 O ATOM 0 H GLY A 4 -18.395 15.662 11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.142 16.063 9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.246 16.371 11.643 1.00 0.00 H new ATOM 37 N SER A 5 -15.811 13.372 10.292 1.00 0.00 N ATOM 38 CA SER A 5 -15.094 12.112 10.449 1.00 0.00 C ATOM 39 C SER A 5 -14.219 11.830 9.230 1.00 0.00 C ATOM 40 O SER A 5 -14.163 10.702 8.742 1.00 0.00 O ATOM 41 CB SER A 5 -16.080 10.962 10.660 1.00 0.00 C ATOM 42 OG SER A 5 -15.402 9.766 11.006 1.00 0.00 O ATOM 0 H SER A 5 -16.435 13.404 9.486 1.00 0.00 H new ATOM 0 HA SER A 5 -14.451 12.195 11.325 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.786 11.224 11.448 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.660 10.805 9.751 1.00 0.00 H new ATOM 0 HG SER A 5 -14.698 9.587 10.348 1.00 0.00 H new ATOM 48 N SER A 6 -13.539 12.864 8.745 1.00 0.00 N ATOM 49 CA SER A 6 -12.671 12.729 7.582 1.00 0.00 C ATOM 50 C SER A 6 -11.202 12.793 7.991 1.00 0.00 C ATOM 51 O SER A 6 -10.717 13.828 8.445 1.00 0.00 O ATOM 52 CB SER A 6 -12.976 13.827 6.561 1.00 0.00 C ATOM 53 OG SER A 6 -14.143 13.522 5.818 1.00 0.00 O ATOM 0 H SER A 6 -13.573 13.804 9.140 1.00 0.00 H new ATOM 0 HA SER A 6 -12.862 11.757 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.107 14.779 7.075 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.130 13.943 5.884 1.00 0.00 H new ATOM 0 HG SER A 6 -14.317 14.240 5.174 1.00 0.00 H new ATOM 59 N GLY A 7 -10.499 11.677 7.825 1.00 0.00 N ATOM 60 CA GLY A 7 -9.093 11.626 8.181 1.00 0.00 C ATOM 61 C GLY A 7 -8.553 10.210 8.209 1.00 0.00 C ATOM 62 O GLY A 7 -7.863 9.819 9.151 1.00 0.00 O ATOM 0 H GLY A 7 -10.878 10.807 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.519 12.216 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.952 12.085 9.160 1.00 0.00 H new ATOM 66 N LYS A 8 -8.869 9.437 7.175 1.00 0.00 N ATOM 67 CA LYS A 8 -8.412 8.056 7.084 1.00 0.00 C ATOM 68 C LYS A 8 -7.005 7.985 6.498 1.00 0.00 C ATOM 69 O LYS A 8 -6.832 7.797 5.294 1.00 0.00 O ATOM 70 CB LYS A 8 -9.375 7.234 6.225 1.00 0.00 C ATOM 71 CG LYS A 8 -10.624 6.791 6.967 1.00 0.00 C ATOM 72 CD LYS A 8 -11.289 5.607 6.283 1.00 0.00 C ATOM 73 CE LYS A 8 -12.292 6.061 5.234 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.646 6.296 3.913 1.00 0.00 N ATOM 0 H LYS A 8 -9.440 9.744 6.388 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.388 7.641 8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.668 7.824 5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.853 6.353 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.364 6.522 7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.328 7.621 7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.529 4.982 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.793 4.991 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.072 5.307 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.778 6.978 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.367 6.269 3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.182 7.227 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.937 5.556 3.737 1.00 0.00 H new ATOM 88 N LYS A 9 -6.003 8.137 7.357 1.00 0.00 N ATOM 89 CA LYS A 9 -4.611 8.088 6.926 1.00 0.00 C ATOM 90 C LYS A 9 -4.038 6.684 7.093 1.00 0.00 C ATOM 91 O LYS A 9 -4.194 6.060 8.144 1.00 0.00 O ATOM 92 CB LYS A 9 -3.773 9.091 7.723 1.00 0.00 C ATOM 93 CG LYS A 9 -2.290 8.762 7.746 1.00 0.00 C ATOM 94 CD LYS A 9 -1.442 10.018 7.855 1.00 0.00 C ATOM 95 CE LYS A 9 -1.353 10.507 9.293 1.00 0.00 C ATOM 96 NZ LYS A 9 -0.634 11.807 9.393 1.00 0.00 N ATOM 0 H LYS A 9 -6.129 8.295 8.357 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.575 8.352 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.910 10.085 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.144 9.129 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.076 8.103 8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.023 8.219 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.440 9.816 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.868 10.802 7.229 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.357 10.615 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.840 9.761 9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.594 12.106 10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.333 11.698 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.137 12.526 8.835 1.00 0.00 H new ATOM 110 N LEU A 10 -3.375 6.193 6.053 1.00 0.00 N ATOM 111 CA LEU A 10 -2.777 4.863 6.085 1.00 0.00 C ATOM 112 C LEU A 10 -1.310 4.915 5.669 1.00 0.00 C ATOM 113 O LEU A 10 -0.995 5.019 4.483 1.00 0.00 O ATOM 114 CB LEU A 10 -3.547 3.914 5.165 1.00 0.00 C ATOM 115 CG LEU A 10 -2.828 2.620 4.782 1.00 0.00 C ATOM 116 CD1 LEU A 10 -2.932 1.599 5.905 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.399 2.054 3.490 1.00 0.00 C ATOM 0 H LEU A 10 -3.238 6.696 5.176 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.832 4.491 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.488 3.653 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.798 4.451 4.250 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.774 2.847 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.415 0.685 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.475 2.003 6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.981 1.376 6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.875 1.133 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.460 1.843 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.272 2.780 2.687 1.00 0.00 H new ATOM 129 N CYS A 11 -0.419 4.839 6.651 1.00 0.00 N ATOM 130 CA CYS A 11 1.015 4.875 6.387 1.00 0.00 C ATOM 131 C CYS A 11 1.766 3.945 7.334 1.00 0.00 C ATOM 132 O CYS A 11 1.269 3.600 8.405 1.00 0.00 O ATOM 133 CB CYS A 11 1.544 6.303 6.529 1.00 0.00 C ATOM 134 SG CYS A 11 1.168 7.075 8.120 1.00 0.00 S ATOM 0 H CYS A 11 -0.664 4.752 7.637 1.00 0.00 H new ATOM 0 HA CYS A 11 1.180 4.533 5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.625 6.294 6.388 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.123 6.916 5.732 1.00 0.00 H new ATOM 0 HG CYS A 11 1.658 8.279 8.145 1.00 0.00 H new ATOM 140 N GLY A 12 2.967 3.541 6.930 1.00 0.00 N ATOM 141 CA GLY A 12 3.766 2.653 7.753 1.00 0.00 C ATOM 142 C GLY A 12 5.014 2.169 7.041 1.00 0.00 C ATOM 143 O GLY A 12 5.001 1.949 5.830 1.00 0.00 O ATOM 0 H GLY A 12 3.400 3.813 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.052 3.170 8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.163 1.794 8.047 1.00 0.00 H new ATOM 147 N TYR A 13 6.096 2.005 7.794 1.00 0.00 N ATOM 148 CA TYR A 13 7.360 1.549 7.227 1.00 0.00 C ATOM 149 C TYR A 13 7.286 0.073 6.848 1.00 0.00 C ATOM 150 O TYR A 13 6.916 -0.772 7.665 1.00 0.00 O ATOM 151 CB TYR A 13 8.500 1.776 8.220 1.00 0.00 C ATOM 152 CG TYR A 13 8.925 3.222 8.335 1.00 0.00 C ATOM 153 CD1 TYR A 13 9.886 3.754 7.484 1.00 0.00 C ATOM 154 CD2 TYR A 13 8.365 4.057 9.294 1.00 0.00 C ATOM 155 CE1 TYR A 13 10.278 5.075 7.586 1.00 0.00 C ATOM 156 CE2 TYR A 13 8.749 5.380 9.402 1.00 0.00 C ATOM 157 CZ TYR A 13 9.707 5.884 8.546 1.00 0.00 C ATOM 158 OH TYR A 13 10.093 7.200 8.650 1.00 0.00 O ATOM 0 H TYR A 13 6.123 2.181 8.798 1.00 0.00 H new ATOM 0 HA TYR A 13 7.554 2.128 6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.192 1.418 9.202 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.359 1.177 7.917 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.334 3.124 6.730 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.617 3.665 9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.028 5.472 6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.302 6.016 10.152 1.00 0.00 H new ATOM 0 HH TYR A 13 9.594 7.631 9.375 1.00 0.00 H new ATOM 168 N LEU A 14 7.640 -0.231 5.605 1.00 0.00 N ATOM 169 CA LEU A 14 7.615 -1.605 5.116 1.00 0.00 C ATOM 170 C LEU A 14 8.939 -1.971 4.452 1.00 0.00 C ATOM 171 O LEU A 14 9.765 -1.103 4.172 1.00 0.00 O ATOM 172 CB LEU A 14 6.465 -1.794 4.125 1.00 0.00 C ATOM 173 CG LEU A 14 5.055 -1.712 4.710 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.018 -1.660 3.598 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.791 -2.892 5.633 1.00 0.00 C ATOM 0 H LEU A 14 7.948 0.456 4.917 1.00 0.00 H new ATOM 0 HA LEU A 14 7.463 -2.265 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.557 -1.039 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.582 -2.766 3.645 1.00 0.00 H new ATOM 0 HG LEU A 14 4.978 -0.795 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.020 -1.602 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.195 -0.782 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.095 -2.559 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.783 -2.817 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.888 -3.822 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.513 -2.884 6.449 1.00 0.00 H new ATOM 187 N SER A 15 9.132 -3.262 4.200 1.00 0.00 N ATOM 188 CA SER A 15 10.355 -3.743 3.570 1.00 0.00 C ATOM 189 C SER A 15 10.062 -4.337 2.196 1.00 0.00 C ATOM 190 O SER A 15 9.332 -5.321 2.075 1.00 0.00 O ATOM 191 CB SER A 15 11.033 -4.790 4.457 1.00 0.00 C ATOM 192 OG SER A 15 11.900 -4.178 5.397 1.00 0.00 O ATOM 0 H SER A 15 8.457 -3.993 4.423 1.00 0.00 H new ATOM 0 HA SER A 15 11.027 -2.894 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.275 -5.372 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.597 -5.486 3.837 1.00 0.00 H new ATOM 0 HG SER A 15 12.319 -4.868 5.953 1.00 0.00 H new ATOM 198 N LYS A 16 10.636 -3.732 1.162 1.00 0.00 N ATOM 199 CA LYS A 16 10.439 -4.199 -0.205 1.00 0.00 C ATOM 200 C LYS A 16 11.505 -5.221 -0.590 1.00 0.00 C ATOM 201 O LYS A 16 12.697 -4.997 -0.382 1.00 0.00 O ATOM 202 CB LYS A 16 10.473 -3.020 -1.179 1.00 0.00 C ATOM 203 CG LYS A 16 10.022 -3.379 -2.585 1.00 0.00 C ATOM 204 CD LYS A 16 9.379 -2.193 -3.284 1.00 0.00 C ATOM 205 CE LYS A 16 9.374 -2.371 -4.794 1.00 0.00 C ATOM 206 NZ LYS A 16 9.300 -3.807 -5.183 1.00 0.00 N ATOM 0 H LYS A 16 11.242 -2.916 1.245 1.00 0.00 H new ATOM 0 HA LYS A 16 9.462 -4.680 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.836 -2.223 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.488 -2.624 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.877 -3.725 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.312 -4.205 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.356 -2.070 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.918 -1.281 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.526 -1.835 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.276 -1.927 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.868 -3.890 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.258 -4.211 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.722 -4.325 -4.491 1.00 0.00 H new ATOM 220 N PHE A 17 11.067 -6.342 -1.152 1.00 0.00 N ATOM 221 CA PHE A 17 11.984 -7.398 -1.567 1.00 0.00 C ATOM 222 C PHE A 17 12.670 -7.037 -2.881 1.00 0.00 C ATOM 223 O PHE A 17 12.076 -6.402 -3.751 1.00 0.00 O ATOM 224 CB PHE A 17 11.234 -8.723 -1.717 1.00 0.00 C ATOM 225 CG PHE A 17 12.119 -9.871 -2.113 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.312 -10.105 -1.448 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.758 -10.715 -3.151 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.128 -11.160 -1.811 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.570 -11.772 -3.518 1.00 0.00 C ATOM 230 CZ PHE A 17 13.756 -11.995 -2.847 1.00 0.00 C ATOM 0 H PHE A 17 10.083 -6.543 -1.331 1.00 0.00 H new ATOM 0 HA PHE A 17 12.748 -7.506 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.742 -8.962 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.449 -8.605 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.608 -9.456 -0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.832 -10.545 -3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 17 15.056 -11.331 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.277 -12.423 -4.329 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.392 -12.821 -3.131 1.00 0.00 H new ATOM 240 N GLY A 18 13.928 -7.447 -3.017 1.00 0.00 N ATOM 241 CA GLY A 18 14.676 -7.157 -4.226 1.00 0.00 C ATOM 242 C GLY A 18 13.809 -7.202 -5.469 1.00 0.00 C ATOM 243 O GLY A 18 12.794 -7.897 -5.502 1.00 0.00 O ATOM 0 H GLY A 18 14.442 -7.975 -2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.131 -6.170 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.489 -7.876 -4.328 1.00 0.00 H new ATOM 247 N GLY A 19 14.208 -6.457 -6.495 1.00 0.00 N ATOM 248 CA GLY A 19 13.448 -6.427 -7.730 1.00 0.00 C ATOM 249 C GLY A 19 14.215 -5.782 -8.868 1.00 0.00 C ATOM 250 O GLY A 19 14.853 -6.469 -9.666 1.00 0.00 O ATOM 0 H GLY A 19 15.045 -5.873 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.176 -7.445 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.518 -5.882 -7.568 1.00 0.00 H new ATOM 254 N LYS A 20 14.153 -4.457 -8.944 1.00 0.00 N ATOM 255 CA LYS A 20 14.847 -3.717 -9.992 1.00 0.00 C ATOM 256 C LYS A 20 16.259 -3.345 -9.552 1.00 0.00 C ATOM 257 O LYS A 20 16.551 -2.179 -9.291 1.00 0.00 O ATOM 258 CB LYS A 20 14.065 -2.453 -10.356 1.00 0.00 C ATOM 259 CG LYS A 20 14.332 -1.957 -11.766 1.00 0.00 C ATOM 260 CD LYS A 20 13.593 -2.790 -12.800 1.00 0.00 C ATOM 261 CE LYS A 20 13.983 -2.396 -14.216 1.00 0.00 C ATOM 262 NZ LYS A 20 13.026 -2.931 -15.224 1.00 0.00 N ATOM 0 H LYS A 20 13.629 -3.873 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 20 14.917 -4.359 -10.870 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.999 -2.651 -10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.317 -1.663 -9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.025 -0.915 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.403 -1.991 -11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.812 -3.846 -12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.518 -2.664 -12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.022 -1.309 -14.293 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.985 -2.767 -14.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.327 -2.641 -16.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.007 -3.969 -15.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.075 -2.557 -15.032 1.00 0.00 H new ATOM 276 N GLY A 21 17.132 -4.345 -9.474 1.00 0.00 N ATOM 277 CA GLY A 21 18.504 -4.101 -9.067 1.00 0.00 C ATOM 278 C GLY A 21 19.427 -5.249 -9.423 1.00 0.00 C ATOM 279 O GLY A 21 19.004 -6.267 -9.972 1.00 0.00 O ATOM 0 H GLY A 21 16.914 -5.319 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 21 18.864 -3.189 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 21 18.536 -3.933 -7.990 1.00 0.00 H new ATOM 283 N PRO A 22 20.722 -5.092 -9.110 1.00 0.00 N ATOM 284 CA PRO A 22 21.734 -6.113 -9.393 1.00 0.00 C ATOM 285 C PRO A 22 21.571 -7.350 -8.515 1.00 0.00 C ATOM 286 O PRO A 22 21.702 -8.479 -8.988 1.00 0.00 O ATOM 287 CB PRO A 22 23.053 -5.403 -9.076 1.00 0.00 C ATOM 288 CG PRO A 22 22.687 -4.347 -8.091 1.00 0.00 C ATOM 289 CD PRO A 22 21.297 -3.905 -8.455 1.00 0.00 C ATOM 0 HA PRO A 22 21.667 -6.480 -10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 22 23.785 -6.095 -8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 22 23.496 -4.971 -9.973 1.00 0.00 H new ATOM 0 HG2 PRO A 22 22.719 -4.735 -7.073 1.00 0.00 H new ATOM 0 HG3 PRO A 22 23.386 -3.512 -8.136 1.00 0.00 H new ATOM 0 HD2 PRO A 22 20.724 -3.615 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 22 21.311 -3.044 -9.124 1.00 0.00 H new ATOM 297 N ILE A 23 21.285 -7.129 -7.237 1.00 0.00 N ATOM 298 CA ILE A 23 21.103 -8.226 -6.295 1.00 0.00 C ATOM 299 C ILE A 23 19.666 -8.281 -5.786 1.00 0.00 C ATOM 300 O ILE A 23 18.831 -7.460 -6.165 1.00 0.00 O ATOM 301 CB ILE A 23 22.057 -8.100 -5.092 1.00 0.00 C ATOM 302 CG1 ILE A 23 21.512 -7.085 -4.085 1.00 0.00 C ATOM 303 CG2 ILE A 23 23.448 -7.697 -5.560 1.00 0.00 C ATOM 304 CD1 ILE A 23 21.376 -5.688 -4.649 1.00 0.00 C ATOM 0 H ILE A 23 21.174 -6.200 -6.830 1.00 0.00 H new ATOM 0 HA ILE A 23 21.331 -9.146 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 23 22.127 -9.070 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.537 -7.422 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.172 -7.055 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 23 24.111 -7.612 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 23 23.835 -8.453 -6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.395 -6.737 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.984 -5.022 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.353 -5.331 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 23 20.693 -5.703 -5.498 1.00 0.00 H new ATOM 316 N ARG A 24 19.387 -9.252 -4.923 1.00 0.00 N ATOM 317 CA ARG A 24 18.051 -9.413 -4.361 1.00 0.00 C ATOM 318 C ARG A 24 18.100 -9.413 -2.836 1.00 0.00 C ATOM 319 O ARG A 24 18.853 -10.172 -2.228 1.00 0.00 O ATOM 320 CB ARG A 24 17.418 -10.713 -4.861 1.00 0.00 C ATOM 321 CG ARG A 24 15.903 -10.648 -4.975 1.00 0.00 C ATOM 322 CD ARG A 24 15.380 -11.627 -6.014 1.00 0.00 C ATOM 323 NE ARG A 24 13.997 -11.343 -6.387 1.00 0.00 N ATOM 324 CZ ARG A 24 13.313 -12.058 -7.273 1.00 0.00 C ATOM 325 NH1 ARG A 24 13.881 -13.093 -7.875 1.00 0.00 N ATOM 326 NH2 ARG A 24 12.058 -11.737 -7.559 1.00 0.00 N ATOM 0 H ARG A 24 20.067 -9.939 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 24 17.442 -8.570 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 24 17.837 -10.960 -5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 24 17.689 -11.523 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.454 -10.869 -4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.600 -9.636 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.011 -11.584 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.449 -12.642 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 24 13.531 -10.552 -5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.846 -13.342 -7.658 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.353 -13.640 -8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.618 -10.941 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.533 -12.287 -8.240 1.00 0.00 H new ATOM 340 N GLY A 25 17.290 -8.554 -2.223 1.00 0.00 N ATOM 341 CA GLY A 25 17.256 -8.470 -0.775 1.00 0.00 C ATOM 342 C GLY A 25 16.268 -7.435 -0.276 1.00 0.00 C ATOM 343 O GLY A 25 15.995 -6.448 -0.960 1.00 0.00 O ATOM 0 H GLY A 25 16.657 -7.915 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.994 -9.445 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.252 -8.225 -0.405 1.00 0.00 H new ATOM 347 N TRP A 26 15.730 -7.659 0.917 1.00 0.00 N ATOM 348 CA TRP A 26 14.764 -6.737 1.505 1.00 0.00 C ATOM 349 C TRP A 26 15.392 -5.368 1.738 1.00 0.00 C ATOM 350 O TRP A 26 16.612 -5.242 1.845 1.00 0.00 O ATOM 351 CB TRP A 26 14.230 -7.299 2.824 1.00 0.00 C ATOM 352 CG TRP A 26 13.447 -8.565 2.656 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.922 -9.842 2.752 1.00 0.00 C ATOM 354 CD2 TRP A 26 12.050 -8.676 2.360 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.905 -10.740 2.534 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.746 -10.050 2.292 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.026 -7.749 2.148 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.463 -10.516 2.020 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.753 -8.213 1.877 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.480 -9.586 1.817 1.00 0.00 C ATOM 0 H TRP A 26 15.946 -8.470 1.496 1.00 0.00 H new ATOM 0 HA TRP A 26 13.936 -6.622 0.806 1.00 0.00 H new ATOM 0 HB2 TRP A 26 15.067 -7.485 3.497 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.598 -6.550 3.301 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.947 -10.107 2.968 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.998 -11.756 2.550 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.226 -6.689 2.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.251 -11.574 1.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.955 -7.505 1.709 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.474 -9.917 1.606 1.00 0.00 H new ATOM 371 N LYS A 27 14.551 -4.342 1.818 1.00 0.00 N ATOM 372 CA LYS A 27 15.023 -2.980 2.040 1.00 0.00 C ATOM 373 C LYS A 27 14.005 -2.176 2.842 1.00 0.00 C ATOM 374 O LYS A 27 12.834 -2.092 2.471 1.00 0.00 O ATOM 375 CB LYS A 27 15.296 -2.288 0.703 1.00 0.00 C ATOM 376 CG LYS A 27 15.619 -0.810 0.838 1.00 0.00 C ATOM 377 CD LYS A 27 17.108 -0.580 1.029 1.00 0.00 C ATOM 378 CE LYS A 27 17.448 0.903 1.025 1.00 0.00 C ATOM 379 NZ LYS A 27 18.919 1.135 1.050 1.00 0.00 N ATOM 0 H LYS A 27 13.538 -4.428 1.732 1.00 0.00 H new ATOM 0 HA LYS A 27 15.950 -3.032 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.127 -2.789 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.424 -2.403 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.279 -0.280 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.074 -0.393 1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.428 -1.025 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.660 -1.083 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.022 1.371 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.990 1.383 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.109 2.157 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.323 0.711 1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.353 0.699 0.212 1.00 0.00 H new ATOM 393 N SER A 28 14.459 -1.586 3.943 1.00 0.00 N ATOM 394 CA SER A 28 13.586 -0.790 4.799 1.00 0.00 C ATOM 395 C SER A 28 13.303 0.571 4.170 1.00 0.00 C ATOM 396 O SER A 28 14.221 1.345 3.898 1.00 0.00 O ATOM 397 CB SER A 28 14.221 -0.604 6.178 1.00 0.00 C ATOM 398 OG SER A 28 14.497 -1.855 6.786 1.00 0.00 O ATOM 0 H SER A 28 15.426 -1.644 4.263 1.00 0.00 H new ATOM 0 HA SER A 28 12.642 -1.324 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.143 -0.031 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.551 -0.026 6.815 1.00 0.00 H new ATOM 0 HG SER A 28 14.904 -1.709 7.665 1.00 0.00 H new ATOM 404 N ARG A 29 12.025 0.855 3.941 1.00 0.00 N ATOM 405 CA ARG A 29 11.619 2.121 3.343 1.00 0.00 C ATOM 406 C ARG A 29 10.301 2.607 3.941 1.00 0.00 C ATOM 407 O ARG A 29 9.605 1.857 4.626 1.00 0.00 O ATOM 408 CB ARG A 29 11.479 1.972 1.827 1.00 0.00 C ATOM 409 CG ARG A 29 12.693 1.343 1.163 1.00 0.00 C ATOM 410 CD ARG A 29 12.932 1.923 -0.223 1.00 0.00 C ATOM 411 NE ARG A 29 13.493 0.934 -1.140 1.00 0.00 N ATOM 412 CZ ARG A 29 14.200 1.251 -2.219 1.00 0.00 C ATOM 413 NH1 ARG A 29 14.430 2.523 -2.515 1.00 0.00 N ATOM 414 NH2 ARG A 29 14.678 0.295 -3.005 1.00 0.00 N ATOM 0 H ARG A 29 11.253 0.225 4.161 1.00 0.00 H new ATOM 0 HA ARG A 29 12.391 2.860 3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.601 1.364 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.303 2.954 1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.574 1.506 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.551 0.265 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.992 2.299 -0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.609 2.774 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 29 13.333 -0.054 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.064 3.261 -1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.973 2.764 -3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.503 -0.685 -2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.221 0.540 -3.833 1.00 0.00 H new ATOM 428 N TRP A 30 9.967 3.865 3.677 1.00 0.00 N ATOM 429 CA TRP A 30 8.733 4.451 4.190 1.00 0.00 C ATOM 430 C TRP A 30 7.609 4.335 3.166 1.00 0.00 C ATOM 431 O TRP A 30 7.790 4.660 1.992 1.00 0.00 O ATOM 432 CB TRP A 30 8.956 5.918 4.558 1.00 0.00 C ATOM 433 CG TRP A 30 7.681 6.674 4.784 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.174 7.677 4.008 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.755 6.488 5.859 1.00 0.00 C ATOM 436 NE1 TRP A 30 5.988 8.126 4.536 1.00 0.00 N ATOM 437 CE2 TRP A 30 5.708 7.412 5.672 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.706 5.630 6.961 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.628 7.501 6.546 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.634 5.720 7.828 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.606 6.649 7.616 1.00 0.00 C ATOM 0 H TRP A 30 10.532 4.499 3.112 1.00 0.00 H new ATOM 0 HA TRP A 30 8.442 3.900 5.084 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.566 5.970 5.460 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.521 6.403 3.762 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.637 8.061 3.111 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.410 8.870 4.146 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.492 4.909 7.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.836 8.217 6.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.587 5.063 8.684 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.780 6.693 8.311 1.00 0.00 H new ATOM 452 N PHE A 31 6.449 3.871 3.617 1.00 0.00 N ATOM 453 CA PHE A 31 5.296 3.712 2.739 1.00 0.00 C ATOM 454 C PHE A 31 4.104 4.512 3.256 1.00 0.00 C ATOM 455 O PHE A 31 3.819 4.519 4.454 1.00 0.00 O ATOM 456 CB PHE A 31 4.918 2.234 2.619 1.00 0.00 C ATOM 457 CG PHE A 31 5.822 1.456 1.706 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.068 1.031 2.140 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.427 1.150 0.414 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.902 0.316 1.301 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.256 0.435 -0.429 1.00 0.00 C ATOM 462 CZ PHE A 31 7.495 0.017 0.016 1.00 0.00 C ATOM 0 H PHE A 31 6.282 3.598 4.586 1.00 0.00 H new ATOM 0 HA PHE A 31 5.567 4.092 1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.938 1.781 3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.894 2.158 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.391 1.261 3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.459 1.474 0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.871 -0.008 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.936 0.203 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.145 -0.543 -0.640 1.00 0.00 H new ATOM 472 N PHE A 32 3.411 5.187 2.344 1.00 0.00 N ATOM 473 CA PHE A 32 2.251 5.992 2.707 1.00 0.00 C ATOM 474 C PHE A 32 1.241 6.036 1.564 1.00 0.00 C ATOM 475 O PHE A 32 1.614 6.044 0.391 1.00 0.00 O ATOM 476 CB PHE A 32 2.685 7.413 3.074 1.00 0.00 C ATOM 477 CG PHE A 32 3.015 8.266 1.883 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.014 8.925 1.188 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.326 8.408 1.458 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.314 9.712 0.092 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.632 9.193 0.363 1.00 0.00 C ATOM 482 CZ PHE A 32 3.625 9.845 -0.322 1.00 0.00 C ATOM 0 H PHE A 32 3.633 5.192 1.348 1.00 0.00 H new ATOM 0 HA PHE A 32 1.775 5.530 3.572 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.889 7.892 3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.557 7.361 3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.987 8.823 1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.117 7.899 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.525 10.222 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.658 9.297 0.043 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.862 10.457 -1.179 1.00 0.00 H new ATOM 492 N TYR A 33 -0.040 6.065 1.916 1.00 0.00 N ATOM 493 CA TYR A 33 -1.105 6.105 0.921 1.00 0.00 C ATOM 494 C TYR A 33 -1.538 7.542 0.645 1.00 0.00 C ATOM 495 O TYR A 33 -1.548 8.383 1.543 1.00 0.00 O ATOM 496 CB TYR A 33 -2.304 5.281 1.393 1.00 0.00 C ATOM 497 CG TYR A 33 -3.566 5.539 0.601 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.318 6.688 0.810 1.00 0.00 C ATOM 499 CD2 TYR A 33 -4.006 4.633 -0.356 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.472 6.928 0.089 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.158 4.865 -1.083 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.887 6.014 -0.856 1.00 0.00 C ATOM 503 OH TYR A 33 -7.036 6.248 -1.577 1.00 0.00 O ATOM 0 H TYR A 33 -0.366 6.062 2.883 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.720 5.676 -0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.054 4.222 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.493 5.500 2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.995 7.406 1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.438 3.732 -0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.045 7.826 0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.486 4.151 -1.824 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.299 7.187 -1.477 1.00 0.00 H new ATOM 513 N ASP A 34 -1.896 7.814 -0.605 1.00 0.00 N ATOM 514 CA ASP A 34 -2.333 9.148 -1.002 1.00 0.00 C ATOM 515 C ASP A 34 -3.840 9.180 -1.234 1.00 0.00 C ATOM 516 O ASP A 34 -4.397 8.290 -1.877 1.00 0.00 O ATOM 517 CB ASP A 34 -1.600 9.592 -2.268 1.00 0.00 C ATOM 518 CG ASP A 34 -1.831 11.056 -2.588 1.00 0.00 C ATOM 519 OD1 ASP A 34 -2.058 11.840 -1.644 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.787 11.417 -3.783 1.00 0.00 O ATOM 0 H ASP A 34 -1.892 7.129 -1.361 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.094 9.838 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.531 9.414 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.932 8.983 -3.109 1.00 0.00 H new ATOM 525 N GLU A 35 -4.494 10.210 -0.706 1.00 0.00 N ATOM 526 CA GLU A 35 -5.937 10.355 -0.855 1.00 0.00 C ATOM 527 C GLU A 35 -6.272 11.335 -1.976 1.00 0.00 C ATOM 528 O GLU A 35 -7.372 11.885 -2.025 1.00 0.00 O ATOM 529 CB GLU A 35 -6.562 10.832 0.458 1.00 0.00 C ATOM 530 CG GLU A 35 -5.876 12.052 1.051 1.00 0.00 C ATOM 531 CD GLU A 35 -6.781 12.834 1.982 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.509 13.724 1.493 1.00 0.00 O ATOM 533 OE2 GLU A 35 -6.761 12.558 3.200 1.00 0.00 O ATOM 0 H GLU A 35 -4.048 10.956 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.350 9.380 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.613 11.064 0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.529 10.019 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.987 11.735 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.540 12.704 0.244 1.00 0.00 H new ATOM 540 N ARG A 36 -5.316 11.547 -2.874 1.00 0.00 N ATOM 541 CA ARG A 36 -5.508 12.461 -3.994 1.00 0.00 C ATOM 542 C ARG A 36 -5.743 11.690 -5.290 1.00 0.00 C ATOM 543 O ARG A 36 -6.610 12.046 -6.088 1.00 0.00 O ATOM 544 CB ARG A 36 -4.293 13.377 -4.146 1.00 0.00 C ATOM 545 CG ARG A 36 -3.960 14.161 -2.887 1.00 0.00 C ATOM 546 CD ARG A 36 -3.146 15.406 -3.204 1.00 0.00 C ATOM 547 NE ARG A 36 -3.352 16.462 -2.217 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.906 17.704 -2.366 1.00 0.00 C ATOM 549 NH1 ARG A 36 -2.232 18.044 -3.456 1.00 0.00 N ATOM 550 NH2 ARG A 36 -3.134 18.609 -1.423 1.00 0.00 N ATOM 0 H ARG A 36 -4.400 11.098 -2.848 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.389 13.069 -3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.429 12.776 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.476 14.076 -4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.882 14.447 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.402 13.526 -2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.088 15.147 -3.242 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.419 15.776 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.867 16.233 -1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.055 17.351 -4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.891 18.999 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.652 18.351 -0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.791 19.563 -1.538 1.00 0.00 H new ATOM 564 N LYS A 37 -4.964 10.633 -5.493 1.00 0.00 N ATOM 565 CA LYS A 37 -5.087 9.811 -6.692 1.00 0.00 C ATOM 566 C LYS A 37 -5.297 8.345 -6.327 1.00 0.00 C ATOM 567 O LYS A 37 -5.123 7.457 -7.162 1.00 0.00 O ATOM 568 CB LYS A 37 -3.838 9.957 -7.565 1.00 0.00 C ATOM 569 CG LYS A 37 -3.529 11.394 -7.949 1.00 0.00 C ATOM 570 CD LYS A 37 -2.389 11.470 -8.951 1.00 0.00 C ATOM 571 CE LYS A 37 -1.607 12.766 -8.808 1.00 0.00 C ATOM 572 NZ LYS A 37 -0.824 13.080 -10.035 1.00 0.00 N ATOM 0 H LYS A 37 -4.241 10.325 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.956 10.156 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.983 9.540 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.968 9.367 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.419 11.858 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.268 11.962 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.719 10.622 -8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.787 11.394 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.296 13.584 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.932 12.690 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.305 13.971 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.149 12.311 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.470 13.178 -10.844 1.00 0.00 H new ATOM 586 N CYS A 38 -5.671 8.100 -5.076 1.00 0.00 N ATOM 587 CA CYS A 38 -5.906 6.741 -4.601 1.00 0.00 C ATOM 588 C CYS A 38 -4.733 5.831 -4.954 1.00 0.00 C ATOM 589 O CYS A 38 -4.925 4.686 -5.362 1.00 0.00 O ATOM 590 CB CYS A 38 -7.197 6.184 -5.202 1.00 0.00 C ATOM 591 SG CYS A 38 -8.689 6.621 -4.279 1.00 0.00 S ATOM 0 H CYS A 38 -5.818 8.824 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.004 6.774 -3.516 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.296 6.548 -6.225 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.121 5.098 -5.256 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.442 6.567 -3.004 1.00 0.00 H new ATOM 597 N GLN A 39 -3.520 6.351 -4.797 1.00 0.00 N ATOM 598 CA GLN A 39 -2.316 5.586 -5.102 1.00 0.00 C ATOM 599 C GLN A 39 -1.428 5.456 -3.869 1.00 0.00 C ATOM 600 O GLN A 39 -1.460 6.302 -2.975 1.00 0.00 O ATOM 601 CB GLN A 39 -1.538 6.252 -6.238 1.00 0.00 C ATOM 602 CG GLN A 39 -2.057 5.896 -7.622 1.00 0.00 C ATOM 603 CD GLN A 39 -1.129 6.354 -8.729 1.00 0.00 C ATOM 604 OE1 GLN A 39 -0.949 7.552 -8.947 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.534 5.400 -9.436 1.00 0.00 N ATOM 0 H GLN A 39 -3.345 7.298 -4.461 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.619 4.587 -5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.580 7.334 -6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.489 5.963 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.191 4.816 -7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.038 6.348 -7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.712 4.419 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.101 5.648 -10.194 1.00 0.00 H new ATOM 614 N LEU A 40 -0.636 4.390 -3.827 1.00 0.00 N ATOM 615 CA LEU A 40 0.262 4.148 -2.704 1.00 0.00 C ATOM 616 C LEU A 40 1.661 4.677 -3.001 1.00 0.00 C ATOM 617 O LEU A 40 2.409 4.084 -3.778 1.00 0.00 O ATOM 618 CB LEU A 40 0.327 2.652 -2.390 1.00 0.00 C ATOM 619 CG LEU A 40 1.182 2.254 -1.186 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.537 2.730 0.106 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.393 0.748 -1.156 1.00 0.00 C ATOM 0 H LEU A 40 -0.598 3.680 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.131 4.679 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.688 2.292 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.709 2.133 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 40 2.156 2.735 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.159 2.438 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.439 3.815 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.450 2.278 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.003 0.483 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.428 0.247 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.899 0.433 -2.069 1.00 0.00 H new ATOM 633 N TYR A 41 2.010 5.796 -2.375 1.00 0.00 N ATOM 634 CA TYR A 41 3.319 6.407 -2.573 1.00 0.00 C ATOM 635 C TYR A 41 4.268 6.040 -1.436 1.00 0.00 C ATOM 636 O TYR A 41 3.922 6.159 -0.260 1.00 0.00 O ATOM 637 CB TYR A 41 3.187 7.927 -2.671 1.00 0.00 C ATOM 638 CG TYR A 41 2.488 8.394 -3.928 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.101 8.411 -4.010 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.215 8.820 -5.033 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.459 8.836 -5.157 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.581 9.248 -6.183 1.00 0.00 C ATOM 643 CZ TYR A 41 1.203 9.254 -6.240 1.00 0.00 C ATOM 644 OH TYR A 41 0.567 9.680 -7.384 1.00 0.00 O ATOM 0 H TYR A 41 1.404 6.298 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 41 3.733 6.025 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.638 8.292 -1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.181 8.373 -2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.515 8.087 -3.163 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.294 8.816 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.620 8.841 -5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.161 9.576 -7.033 1.00 0.00 H new ATOM 0 HH TYR A 41 0.114 8.922 -7.808 1.00 0.00 H new ATOM 654 N TYR A 42 5.466 5.593 -1.795 1.00 0.00 N ATOM 655 CA TYR A 42 6.466 5.206 -0.806 1.00 0.00 C ATOM 656 C TYR A 42 7.812 5.857 -1.110 1.00 0.00 C ATOM 657 O TYR A 42 8.212 5.970 -2.269 1.00 0.00 O ATOM 658 CB TYR A 42 6.618 3.685 -0.772 1.00 0.00 C ATOM 659 CG TYR A 42 7.246 3.111 -2.022 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.626 3.081 -2.179 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.459 2.599 -3.046 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.204 2.558 -3.319 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.029 2.073 -4.190 1.00 0.00 C ATOM 664 CZ TYR A 42 8.402 2.055 -4.322 1.00 0.00 C ATOM 665 OH TYR A 42 8.973 1.533 -5.460 1.00 0.00 O ATOM 0 H TYR A 42 5.769 5.489 -2.764 1.00 0.00 H new ATOM 0 HA TYR A 42 6.128 5.552 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.225 3.408 0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.636 3.233 -0.628 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.258 3.473 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.384 2.612 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.279 2.543 -3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.403 1.678 -4.976 1.00 0.00 H new ATOM 0 HH TYR A 42 8.713 0.593 -5.555 1.00 0.00 H new ATOM 675 N SER A 43 8.507 6.282 -0.060 1.00 0.00 N ATOM 676 CA SER A 43 9.807 6.923 -0.212 1.00 0.00 C ATOM 677 C SER A 43 10.796 6.401 0.826 1.00 0.00 C ATOM 678 O SER A 43 10.459 5.548 1.646 1.00 0.00 O ATOM 679 CB SER A 43 9.669 8.442 -0.083 1.00 0.00 C ATOM 680 OG SER A 43 10.645 9.111 -0.862 1.00 0.00 O ATOM 0 H SER A 43 8.191 6.194 0.906 1.00 0.00 H new ATOM 0 HA SER A 43 10.188 6.683 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.673 8.748 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.772 8.732 0.963 1.00 0.00 H new ATOM 0 HG SER A 43 11.204 9.667 -0.280 1.00 0.00 H new ATOM 686 N ARG A 44 12.019 6.921 0.783 1.00 0.00 N ATOM 687 CA ARG A 44 13.058 6.507 1.718 1.00 0.00 C ATOM 688 C ARG A 44 12.694 6.904 3.146 1.00 0.00 C ATOM 689 O ARG A 44 12.960 6.165 4.094 1.00 0.00 O ATOM 690 CB ARG A 44 14.400 7.131 1.331 1.00 0.00 C ATOM 691 CG ARG A 44 14.753 6.954 -0.137 1.00 0.00 C ATOM 692 CD ARG A 44 15.605 8.105 -0.648 1.00 0.00 C ATOM 693 NE ARG A 44 17.032 7.852 -0.470 1.00 0.00 N ATOM 694 CZ ARG A 44 17.983 8.517 -1.116 1.00 0.00 C ATOM 695 NH1 ARG A 44 17.660 9.472 -1.978 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.260 8.229 -0.900 1.00 0.00 N ATOM 0 H ARG A 44 12.314 7.629 0.111 1.00 0.00 H new ATOM 0 HA ARG A 44 13.142 5.421 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.377 8.195 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.187 6.688 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.289 6.015 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.839 6.887 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.395 8.270 -1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.331 9.020 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 44 17.314 7.124 0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.679 9.697 -2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.392 9.981 -2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.512 7.496 -0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.989 8.741 -1.397 1.00 0.00 H new ATOM 710 N THR A 45 12.083 8.076 3.292 1.00 0.00 N ATOM 711 CA THR A 45 11.684 8.571 4.603 1.00 0.00 C ATOM 712 C THR A 45 10.302 9.213 4.550 1.00 0.00 C ATOM 713 O THR A 45 9.756 9.445 3.473 1.00 0.00 O ATOM 714 CB THR A 45 12.695 9.599 5.147 1.00 0.00 C ATOM 715 OG1 THR A 45 12.456 10.881 4.557 1.00 0.00 O ATOM 716 CG2 THR A 45 14.122 9.159 4.856 1.00 0.00 C ATOM 0 H THR A 45 11.854 8.700 2.518 1.00 0.00 H new ATOM 0 HA THR A 45 11.657 7.711 5.272 1.00 0.00 H new ATOM 0 HB THR A 45 12.565 9.667 6.227 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.102 11.529 4.909 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.818 9.900 5.249 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.310 8.196 5.331 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.261 9.065 3.779 1.00 0.00 H new ATOM 724 N ALA A 46 9.743 9.499 5.722 1.00 0.00 N ATOM 725 CA ALA A 46 8.426 10.117 5.808 1.00 0.00 C ATOM 726 C ALA A 46 8.513 11.626 5.601 1.00 0.00 C ATOM 727 O ALA A 46 7.523 12.272 5.259 1.00 0.00 O ATOM 728 CB ALA A 46 7.783 9.803 7.151 1.00 0.00 C ATOM 0 H ALA A 46 10.182 9.313 6.624 1.00 0.00 H new ATOM 0 HA ALA A 46 7.805 9.703 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.800 10.271 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.677 8.724 7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.411 10.189 7.954 1.00 0.00 H new ATOM 734 N GLN A 47 9.702 12.180 5.812 1.00 0.00 N ATOM 735 CA GLN A 47 9.917 13.613 5.649 1.00 0.00 C ATOM 736 C GLN A 47 10.272 13.950 4.205 1.00 0.00 C ATOM 737 O GLN A 47 10.473 15.114 3.860 1.00 0.00 O ATOM 738 CB GLN A 47 11.027 14.094 6.585 1.00 0.00 C ATOM 739 CG GLN A 47 10.663 14.001 8.058 1.00 0.00 C ATOM 740 CD GLN A 47 9.226 14.403 8.331 1.00 0.00 C ATOM 741 OE1 GLN A 47 8.909 15.589 8.425 1.00 0.00 O ATOM 742 NE2 GLN A 47 8.349 13.414 8.459 1.00 0.00 N ATOM 0 H GLN A 47 10.531 11.659 6.096 1.00 0.00 H new ATOM 0 HA GLN A 47 8.989 14.125 5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.925 13.504 6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.271 15.129 6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.823 12.980 8.404 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.331 14.641 8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.657 12.445 8.373 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.368 13.623 8.643 1.00 0.00 H new ATOM 751 N ASP A 48 10.349 12.923 3.365 1.00 0.00 N ATOM 752 CA ASP A 48 10.680 13.110 1.957 1.00 0.00 C ATOM 753 C ASP A 48 9.443 13.507 1.156 1.00 0.00 C ATOM 754 O ASP A 48 8.660 12.654 0.741 1.00 0.00 O ATOM 755 CB ASP A 48 11.287 11.831 1.379 1.00 0.00 C ATOM 756 CG ASP A 48 12.735 11.642 1.788 1.00 0.00 C ATOM 757 OD1 ASP A 48 13.326 12.596 2.335 1.00 0.00 O ATOM 758 OD2 ASP A 48 13.277 10.539 1.561 1.00 0.00 O ATOM 0 H ASP A 48 10.187 11.953 3.635 1.00 0.00 H new ATOM 0 HA ASP A 48 11.412 13.915 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.703 10.973 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.220 11.860 0.291 1.00 0.00 H new ATOM 763 N ALA A 49 9.275 14.808 0.944 1.00 0.00 N ATOM 764 CA ALA A 49 8.135 15.318 0.193 1.00 0.00 C ATOM 765 C ALA A 49 8.066 14.690 -1.195 1.00 0.00 C ATOM 766 O ALA A 49 6.991 14.573 -1.781 1.00 0.00 O ATOM 767 CB ALA A 49 8.209 16.834 0.085 1.00 0.00 C ATOM 0 H ALA A 49 9.914 15.528 1.282 1.00 0.00 H new ATOM 0 HA ALA A 49 7.227 15.047 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.351 17.201 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.201 17.271 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.128 17.118 -0.428 1.00 0.00 H new ATOM 773 N ASN A 50 9.221 14.288 -1.715 1.00 0.00 N ATOM 774 CA ASN A 50 9.292 13.673 -3.035 1.00 0.00 C ATOM 775 C ASN A 50 9.337 12.152 -2.925 1.00 0.00 C ATOM 776 O ASN A 50 10.369 11.557 -2.613 1.00 0.00 O ATOM 777 CB ASN A 50 10.524 14.177 -3.791 1.00 0.00 C ATOM 778 CG ASN A 50 10.759 15.661 -3.587 1.00 0.00 C ATOM 779 OD1 ASN A 50 10.150 16.495 -4.257 1.00 0.00 O ATOM 780 ND2 ASN A 50 11.647 15.997 -2.659 1.00 0.00 N ATOM 0 H ASN A 50 10.120 14.377 -1.242 1.00 0.00 H new ATOM 0 HA ASN A 50 8.395 13.954 -3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.402 13.624 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.403 13.974 -4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.848 16.980 -2.478 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.128 15.272 -2.127 1.00 0.00 H new ATOM 787 N PRO A 51 8.191 11.506 -3.187 1.00 0.00 N ATOM 788 CA PRO A 51 8.073 10.046 -3.125 1.00 0.00 C ATOM 789 C PRO A 51 8.835 9.354 -4.250 1.00 0.00 C ATOM 790 O PRO A 51 8.782 9.782 -5.404 1.00 0.00 O ATOM 791 CB PRO A 51 6.569 9.805 -3.270 1.00 0.00 C ATOM 792 CG PRO A 51 6.063 10.998 -4.006 1.00 0.00 C ATOM 793 CD PRO A 51 6.922 12.150 -3.565 1.00 0.00 C ATOM 0 HA PRO A 51 8.496 9.642 -2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.367 8.886 -3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.088 9.707 -2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.132 10.850 -5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.014 11.183 -3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.063 12.876 -4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.477 12.684 -2.726 1.00 0.00 H new ATOM 801 N LEU A 52 9.543 8.283 -3.908 1.00 0.00 N ATOM 802 CA LEU A 52 10.316 7.532 -4.891 1.00 0.00 C ATOM 803 C LEU A 52 9.427 7.057 -6.036 1.00 0.00 C ATOM 804 O LEU A 52 9.677 7.370 -7.200 1.00 0.00 O ATOM 805 CB LEU A 52 10.994 6.332 -4.226 1.00 0.00 C ATOM 806 CG LEU A 52 12.133 6.656 -3.259 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.827 5.381 -2.805 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.130 7.605 -3.908 1.00 0.00 C ATOM 0 H LEU A 52 9.598 7.915 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 52 11.080 8.194 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.236 5.765 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.383 5.680 -5.008 1.00 0.00 H new ATOM 0 HG LEU A 52 11.711 7.148 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.635 5.631 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.108 4.735 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.236 4.861 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 52 13.934 7.825 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.546 7.140 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.625 8.531 -4.183 1.00 0.00 H new ATOM 820 N ASP A 53 8.386 6.304 -5.697 1.00 0.00 N ATOM 821 CA ASP A 53 7.457 5.789 -6.697 1.00 0.00 C ATOM 822 C ASP A 53 6.080 5.550 -6.086 1.00 0.00 C ATOM 823 O ASP A 53 5.907 5.629 -4.870 1.00 0.00 O ATOM 824 CB ASP A 53 7.993 4.490 -7.301 1.00 0.00 C ATOM 825 CG ASP A 53 7.338 4.155 -8.627 1.00 0.00 C ATOM 826 OD1 ASP A 53 7.825 4.640 -9.669 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.338 3.407 -8.621 1.00 0.00 O ATOM 0 H ASP A 53 8.164 6.037 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 53 7.361 6.535 -7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.070 4.576 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.828 3.672 -6.600 1.00 0.00 H new ATOM 832 N SER A 54 5.103 5.259 -6.938 1.00 0.00 N ATOM 833 CA SER A 54 3.739 5.013 -6.483 1.00 0.00 C ATOM 834 C SER A 54 3.184 3.731 -7.097 1.00 0.00 C ATOM 835 O SER A 54 3.721 3.218 -8.079 1.00 0.00 O ATOM 836 CB SER A 54 2.838 6.196 -6.843 1.00 0.00 C ATOM 837 OG SER A 54 2.359 6.087 -8.172 1.00 0.00 O ATOM 0 H SER A 54 5.230 5.188 -7.948 1.00 0.00 H new ATOM 0 HA SER A 54 3.759 4.897 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.996 6.239 -6.152 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.392 7.127 -6.728 1.00 0.00 H new ATOM 0 HG SER A 54 1.785 6.854 -8.377 1.00 0.00 H new ATOM 843 N ILE A 55 2.106 3.221 -6.512 1.00 0.00 N ATOM 844 CA ILE A 55 1.478 2.000 -7.001 1.00 0.00 C ATOM 845 C ILE A 55 -0.035 2.165 -7.105 1.00 0.00 C ATOM 846 O ILE A 55 -0.689 2.600 -6.157 1.00 0.00 O ATOM 847 CB ILE A 55 1.790 0.801 -6.087 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.303 0.640 -5.919 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.177 -0.471 -6.654 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.896 1.565 -4.879 1.00 0.00 C ATOM 0 H ILE A 55 1.649 3.634 -5.699 1.00 0.00 H new ATOM 0 HA ILE A 55 1.890 1.808 -7.992 1.00 0.00 H new ATOM 0 HB ILE A 55 1.352 0.987 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.522 -0.392 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.789 0.824 -6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.406 -1.310 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.096 -0.353 -6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.589 -0.663 -7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.971 1.397 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.708 2.600 -5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.437 1.365 -3.911 1.00 0.00 H new ATOM 862 N ASP A 56 -0.584 1.813 -8.262 1.00 0.00 N ATOM 863 CA ASP A 56 -2.021 1.919 -8.490 1.00 0.00 C ATOM 864 C ASP A 56 -2.770 0.812 -7.756 1.00 0.00 C ATOM 865 O ASP A 56 -2.793 -0.337 -8.199 1.00 0.00 O ATOM 866 CB ASP A 56 -2.327 1.853 -9.987 1.00 0.00 C ATOM 867 CG ASP A 56 -3.756 2.250 -10.304 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.308 3.103 -9.580 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.321 1.706 -11.276 1.00 0.00 O ATOM 0 H ASP A 56 -0.056 1.452 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.356 2.880 -8.100 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.643 2.510 -10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.146 0.840 -10.348 1.00 0.00 H new ATOM 874 N LEU A 57 -3.382 1.164 -6.631 1.00 0.00 N ATOM 875 CA LEU A 57 -4.132 0.201 -5.833 1.00 0.00 C ATOM 876 C LEU A 57 -5.528 -0.015 -6.410 1.00 0.00 C ATOM 877 O LEU A 57 -6.090 -1.105 -6.310 1.00 0.00 O ATOM 878 CB LEU A 57 -4.235 0.679 -4.384 1.00 0.00 C ATOM 879 CG LEU A 57 -2.943 1.202 -3.756 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.228 1.853 -2.411 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.931 0.076 -3.602 1.00 0.00 C ATOM 0 H LEU A 57 -3.373 2.110 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.598 -0.749 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.985 1.469 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.603 -0.147 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.519 1.956 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.296 2.219 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.916 2.687 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.676 1.120 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.018 0.467 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.346 -0.701 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.703 -0.345 -4.581 1.00 0.00 H new ATOM 893 N SER A 58 -6.080 1.032 -7.016 1.00 0.00 N ATOM 894 CA SER A 58 -7.410 0.958 -7.608 1.00 0.00 C ATOM 895 C SER A 58 -7.576 -0.327 -8.413 1.00 0.00 C ATOM 896 O SER A 58 -8.687 -0.831 -8.578 1.00 0.00 O ATOM 897 CB SER A 58 -7.661 2.172 -8.505 1.00 0.00 C ATOM 898 OG SER A 58 -6.862 2.114 -9.674 1.00 0.00 O ATOM 0 H SER A 58 -5.627 1.941 -7.110 1.00 0.00 H new ATOM 0 HA SER A 58 -8.141 0.956 -6.799 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.714 2.212 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.441 3.087 -7.955 1.00 0.00 H new ATOM 0 HG SER A 58 -6.025 2.601 -9.523 1.00 0.00 H new ATOM 904 N SER A 59 -6.462 -0.852 -8.914 1.00 0.00 N ATOM 905 CA SER A 59 -6.483 -2.076 -9.706 1.00 0.00 C ATOM 906 C SER A 59 -5.394 -3.040 -9.244 1.00 0.00 C ATOM 907 O SER A 59 -4.764 -3.717 -10.056 1.00 0.00 O ATOM 908 CB SER A 59 -6.297 -1.752 -11.189 1.00 0.00 C ATOM 909 OG SER A 59 -7.537 -1.443 -11.802 1.00 0.00 O ATOM 0 H SER A 59 -5.534 -0.449 -8.785 1.00 0.00 H new ATOM 0 HA SER A 59 -7.452 -2.555 -9.565 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.614 -0.910 -11.298 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.839 -2.601 -11.696 1.00 0.00 H new ATOM 0 HG SER A 59 -7.392 -1.238 -12.749 1.00 0.00 H new ATOM 915 N ALA A 60 -5.179 -3.096 -7.934 1.00 0.00 N ATOM 916 CA ALA A 60 -4.168 -3.978 -7.363 1.00 0.00 C ATOM 917 C ALA A 60 -4.795 -4.979 -6.399 1.00 0.00 C ATOM 918 O ALA A 60 -5.772 -4.671 -5.716 1.00 0.00 O ATOM 919 CB ALA A 60 -3.095 -3.163 -6.657 1.00 0.00 C ATOM 0 H ALA A 60 -5.691 -2.541 -7.248 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.707 -4.537 -8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.347 -3.834 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.619 -2.492 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.550 -2.578 -5.857 1.00 0.00 H new ATOM 925 N VAL A 61 -4.226 -6.180 -6.347 1.00 0.00 N ATOM 926 CA VAL A 61 -4.730 -7.227 -5.466 1.00 0.00 C ATOM 927 C VAL A 61 -3.683 -7.624 -4.431 1.00 0.00 C ATOM 928 O VAL A 61 -2.601 -8.100 -4.777 1.00 0.00 O ATOM 929 CB VAL A 61 -5.149 -8.477 -6.262 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.205 -8.707 -7.432 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.191 -9.697 -5.353 1.00 0.00 C ATOM 0 H VAL A 61 -3.416 -6.452 -6.904 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.604 -6.820 -4.958 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.150 -8.314 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.517 -9.595 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.229 -7.842 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.191 -8.850 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.489 -10.572 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.203 -9.865 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.911 -9.529 -4.552 1.00 0.00 H new ATOM 941 N PHE A 62 -4.011 -7.425 -3.159 1.00 0.00 N ATOM 942 CA PHE A 62 -3.099 -7.762 -2.072 1.00 0.00 C ATOM 943 C PHE A 62 -3.241 -9.230 -1.678 1.00 0.00 C ATOM 944 O PHE A 62 -4.313 -9.672 -1.265 1.00 0.00 O ATOM 945 CB PHE A 62 -3.366 -6.869 -0.859 1.00 0.00 C ATOM 946 CG PHE A 62 -3.900 -5.512 -1.219 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.077 -4.559 -1.796 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.227 -5.190 -0.981 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.566 -3.310 -2.129 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.722 -3.943 -1.312 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.890 -3.001 -1.886 1.00 0.00 C ATOM 0 H PHE A 62 -4.902 -7.032 -2.855 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.080 -7.594 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.077 -7.368 -0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.441 -6.749 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.041 -4.795 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.882 -5.922 -0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.913 -2.576 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.758 -3.705 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.274 -2.025 -2.144 1.00 0.00 H new ATOM 961 N ASP A 63 -2.152 -9.979 -1.810 1.00 0.00 N ATOM 962 CA ASP A 63 -2.154 -11.397 -1.467 1.00 0.00 C ATOM 963 C ASP A 63 -1.184 -11.681 -0.325 1.00 0.00 C ATOM 964 O ASP A 63 -0.326 -10.856 -0.006 1.00 0.00 O ATOM 965 CB ASP A 63 -1.782 -12.238 -2.689 1.00 0.00 C ATOM 966 CG ASP A 63 -2.218 -13.684 -2.551 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.410 -13.969 -2.792 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.368 -14.529 -2.201 1.00 0.00 O ATOM 0 H ASP A 63 -1.257 -9.629 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.159 -11.666 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.242 -11.806 -3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.703 -12.199 -2.838 1.00 0.00 H new ATOM 973 N CYS A 64 -1.326 -12.851 0.288 1.00 0.00 N ATOM 974 CA CYS A 64 -0.464 -13.243 1.397 1.00 0.00 C ATOM 975 C CYS A 64 0.576 -14.263 0.943 1.00 0.00 C ATOM 976 O CYS A 64 0.261 -15.207 0.219 1.00 0.00 O ATOM 977 CB CYS A 64 -1.299 -13.822 2.539 1.00 0.00 C ATOM 978 SG CYS A 64 -2.271 -15.276 2.080 1.00 0.00 S ATOM 0 H CYS A 64 -2.030 -13.545 0.036 1.00 0.00 H new ATOM 0 HA CYS A 64 0.057 -12.354 1.752 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.635 -14.087 3.362 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.973 -13.050 2.909 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.689 -15.894 1.096 1.00 0.00 H new ATOM 984 N LYS A 65 1.818 -14.064 1.372 1.00 0.00 N ATOM 985 CA LYS A 65 2.906 -14.965 1.010 1.00 0.00 C ATOM 986 C LYS A 65 2.718 -16.333 1.660 1.00 0.00 C ATOM 987 O LYS A 65 1.834 -16.517 2.495 1.00 0.00 O ATOM 988 CB LYS A 65 4.251 -14.369 1.431 1.00 0.00 C ATOM 989 CG LYS A 65 4.875 -13.471 0.377 1.00 0.00 C ATOM 990 CD LYS A 65 5.778 -14.256 -0.560 1.00 0.00 C ATOM 991 CE LYS A 65 4.973 -15.007 -1.610 1.00 0.00 C ATOM 992 NZ LYS A 65 5.839 -15.528 -2.704 1.00 0.00 N ATOM 0 H LYS A 65 2.096 -13.287 1.971 1.00 0.00 H new ATOM 0 HA LYS A 65 2.895 -15.092 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.114 -13.797 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.942 -15.180 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.088 -12.983 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.450 -12.683 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.474 -13.576 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.376 -14.962 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.445 -15.836 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.216 -14.345 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.268 -16.105 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.258 -14.731 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.597 -16.113 -2.298 1.00 0.00 H new ATOM 1006 N ALA A 66 3.557 -17.287 1.271 1.00 0.00 N ATOM 1007 CA ALA A 66 3.486 -18.636 1.818 1.00 0.00 C ATOM 1008 C ALA A 66 3.957 -18.666 3.268 1.00 0.00 C ATOM 1009 O ALA A 66 3.465 -19.455 4.075 1.00 0.00 O ATOM 1010 CB ALA A 66 4.313 -19.593 0.972 1.00 0.00 C ATOM 0 H ALA A 66 4.294 -17.151 0.579 1.00 0.00 H new ATOM 0 HA ALA A 66 2.444 -18.956 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.251 -20.597 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.929 -19.602 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.353 -19.267 0.965 1.00 0.00 H new ATOM 1016 N ASP A 67 4.914 -17.803 3.592 1.00 0.00 N ATOM 1017 CA ASP A 67 5.452 -17.731 4.946 1.00 0.00 C ATOM 1018 C ASP A 67 4.798 -16.598 5.730 1.00 0.00 C ATOM 1019 O ASP A 67 5.406 -16.023 6.633 1.00 0.00 O ATOM 1020 CB ASP A 67 6.967 -17.532 4.905 1.00 0.00 C ATOM 1021 CG ASP A 67 7.706 -18.790 4.493 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.440 -19.855 5.087 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.551 -18.709 3.577 1.00 0.00 O ATOM 0 H ASP A 67 5.333 -17.144 2.936 1.00 0.00 H new ATOM 0 HA ASP A 67 5.231 -18.672 5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.206 -16.729 4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.315 -17.215 5.888 1.00 0.00 H new ATOM 1028 N ALA A 68 3.556 -16.281 5.379 1.00 0.00 N ATOM 1029 CA ALA A 68 2.820 -15.217 6.050 1.00 0.00 C ATOM 1030 C ALA A 68 2.970 -15.317 7.564 1.00 0.00 C ATOM 1031 O ALA A 68 2.818 -14.326 8.278 1.00 0.00 O ATOM 1032 CB ALA A 68 1.350 -15.265 5.660 1.00 0.00 C ATOM 0 H ALA A 68 3.038 -16.746 4.633 1.00 0.00 H new ATOM 0 HA ALA A 68 3.239 -14.262 5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.812 -14.465 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.255 -15.138 4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.928 -16.227 5.950 1.00 0.00 H new ATOM 1038 N GLU A 69 3.270 -16.519 8.047 1.00 0.00 N ATOM 1039 CA GLU A 69 3.439 -16.746 9.477 1.00 0.00 C ATOM 1040 C GLU A 69 4.231 -15.610 10.119 1.00 0.00 C ATOM 1041 O GLU A 69 4.042 -15.295 11.293 1.00 0.00 O ATOM 1042 CB GLU A 69 4.149 -18.079 9.724 1.00 0.00 C ATOM 1043 CG GLU A 69 5.488 -18.196 9.015 1.00 0.00 C ATOM 1044 CD GLU A 69 6.263 -19.431 9.432 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.723 -20.548 9.283 1.00 0.00 O ATOM 1046 OE2 GLU A 69 7.408 -19.282 9.906 1.00 0.00 O ATOM 0 H GLU A 69 3.401 -17.349 7.469 1.00 0.00 H new ATOM 0 HA GLU A 69 2.449 -16.779 9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.303 -18.206 10.796 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.501 -18.892 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.323 -18.221 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.085 -17.309 9.225 1.00 0.00 H new ATOM 1053 N GLU A 70 5.117 -15.000 9.339 1.00 0.00 N ATOM 1054 CA GLU A 70 5.938 -13.900 9.831 1.00 0.00 C ATOM 1055 C GLU A 70 5.289 -12.555 9.520 1.00 0.00 C ATOM 1056 O GLU A 70 5.527 -11.564 10.210 1.00 0.00 O ATOM 1057 CB GLU A 70 7.336 -13.960 9.211 1.00 0.00 C ATOM 1058 CG GLU A 70 8.066 -12.627 9.226 1.00 0.00 C ATOM 1059 CD GLU A 70 9.572 -12.786 9.144 1.00 0.00 C ATOM 1060 OE1 GLU A 70 10.055 -13.359 8.146 1.00 0.00 O ATOM 1061 OE2 GLU A 70 10.267 -12.337 10.080 1.00 0.00 O ATOM 0 H GLU A 70 5.285 -15.249 8.364 1.00 0.00 H new ATOM 0 HA GLU A 70 6.024 -14.001 10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.932 -14.697 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.253 -14.308 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.722 -12.019 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.810 -12.087 10.138 1.00 0.00 H new ATOM 1068 N GLY A 71 4.466 -12.528 8.476 1.00 0.00 N ATOM 1069 CA GLY A 71 3.796 -11.300 8.090 1.00 0.00 C ATOM 1070 C GLY A 71 4.305 -10.750 6.773 1.00 0.00 C ATOM 1071 O GLY A 71 4.770 -9.612 6.706 1.00 0.00 O ATOM 0 H GLY A 71 4.251 -13.335 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.724 -11.483 8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.937 -10.552 8.871 1.00 0.00 H new ATOM 1075 N ILE A 72 4.218 -11.560 5.723 1.00 0.00 N ATOM 1076 CA ILE A 72 4.674 -11.147 4.401 1.00 0.00 C ATOM 1077 C ILE A 72 3.545 -11.228 3.380 1.00 0.00 C ATOM 1078 O ILE A 72 2.836 -12.232 3.300 1.00 0.00 O ATOM 1079 CB ILE A 72 5.852 -12.013 3.917 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.921 -12.115 5.008 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.445 -11.435 2.640 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.664 -13.225 6.003 1.00 0.00 C ATOM 0 H ILE A 72 3.836 -12.505 5.762 1.00 0.00 H new ATOM 0 HA ILE A 72 5.006 -10.113 4.490 1.00 0.00 H new ATOM 0 HB ILE A 72 5.482 -13.015 3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.892 -12.275 4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.977 -11.166 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.276 -12.058 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.681 -11.409 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.803 -10.423 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.461 -13.239 6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.708 -13.055 6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.638 -14.182 5.482 1.00 0.00 H new ATOM 1094 N PHE A 73 3.384 -10.165 2.598 1.00 0.00 N ATOM 1095 CA PHE A 73 2.341 -10.116 1.580 1.00 0.00 C ATOM 1096 C PHE A 73 2.907 -9.639 0.245 1.00 0.00 C ATOM 1097 O PHE A 73 4.094 -9.334 0.136 1.00 0.00 O ATOM 1098 CB PHE A 73 1.207 -9.191 2.026 1.00 0.00 C ATOM 1099 CG PHE A 73 1.677 -7.831 2.459 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.241 -7.645 3.710 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.555 -6.740 1.613 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.674 -6.395 4.111 1.00 0.00 C ATOM 1103 CE2 PHE A 73 1.986 -5.488 2.009 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.547 -5.315 3.259 1.00 0.00 C ATOM 0 H PHE A 73 3.962 -9.326 2.650 1.00 0.00 H new ATOM 0 HA PHE A 73 1.948 -11.124 1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.498 -9.077 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.669 -9.660 2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.344 -8.486 4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.118 -6.870 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.111 -6.263 5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.884 -4.645 1.341 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.886 -4.338 3.570 1.00 0.00 H new ATOM 1114 N GLU A 74 2.047 -9.578 -0.767 1.00 0.00 N ATOM 1115 CA GLU A 74 2.461 -9.140 -2.095 1.00 0.00 C ATOM 1116 C GLU A 74 1.305 -8.471 -2.832 1.00 0.00 C ATOM 1117 O GLU A 74 0.201 -9.012 -2.898 1.00 0.00 O ATOM 1118 CB GLU A 74 2.981 -10.327 -2.909 1.00 0.00 C ATOM 1119 CG GLU A 74 4.437 -10.662 -2.636 1.00 0.00 C ATOM 1120 CD GLU A 74 4.897 -11.908 -3.367 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.278 -12.253 -4.396 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.874 -12.538 -2.912 1.00 0.00 O ATOM 0 H GLU A 74 1.060 -9.826 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 74 3.263 -8.412 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.369 -11.202 -2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.860 -10.110 -3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.061 -9.820 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.579 -10.801 -1.564 1.00 0.00 H new ATOM 1129 N ILE A 75 1.567 -7.291 -3.384 1.00 0.00 N ATOM 1130 CA ILE A 75 0.549 -6.548 -4.116 1.00 0.00 C ATOM 1131 C ILE A 75 0.661 -6.795 -5.617 1.00 0.00 C ATOM 1132 O ILE A 75 1.565 -6.282 -6.276 1.00 0.00 O ATOM 1133 CB ILE A 75 0.654 -5.035 -3.848 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.732 -4.766 -2.343 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.531 -4.304 -4.461 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.689 -3.296 -1.989 1.00 0.00 C ATOM 0 H ILE A 75 2.475 -6.829 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.418 -6.906 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 75 1.566 -4.661 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.095 -5.275 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.653 -5.199 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.442 -3.236 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.546 -4.473 -5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.456 -4.678 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.748 -3.180 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.531 -2.785 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.244 -2.862 -2.349 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.265 -7.584 -6.151 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.274 -7.899 -7.575 1.00 0.00 C ATOM 1150 C LYS A 76 -0.971 -6.800 -8.370 1.00 0.00 C ATOM 1151 O LYS A 76 -2.142 -6.498 -8.137 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.970 -9.239 -7.818 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.020 -10.424 -7.836 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.696 -11.689 -7.332 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.524 -11.852 -5.830 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.668 -13.273 -5.406 1.00 0.00 N ATOM 0 H LYS A 76 -1.020 -8.017 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 76 0.760 -7.968 -7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.719 -9.396 -7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.501 -9.196 -8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.344 -10.584 -8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.850 -10.204 -7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.758 -11.658 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.277 -12.555 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.458 -11.483 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.263 -11.242 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.138 -13.428 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.673 -13.488 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.294 -13.897 -6.149 1.00 0.00 H new ATOM 1170 N THR A 77 -0.245 -6.205 -9.312 1.00 0.00 N ATOM 1171 CA THR A 77 -0.794 -5.140 -10.142 1.00 0.00 C ATOM 1172 C THR A 77 -0.543 -5.411 -11.621 1.00 0.00 C ATOM 1173 O THR A 77 0.415 -6.086 -11.999 1.00 0.00 O ATOM 1174 CB THR A 77 -0.191 -3.772 -9.773 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.203 -3.747 -10.100 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.374 -3.482 -8.291 1.00 0.00 C ATOM 0 H THR A 77 0.725 -6.443 -9.519 1.00 0.00 H new ATOM 0 HA THR A 77 -1.868 -5.117 -9.957 1.00 0.00 H new ATOM 0 HB THR A 77 -0.712 -3.004 -10.345 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.732 -3.886 -9.287 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.060 -2.511 -8.054 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.437 -3.473 -8.051 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.124 -4.254 -7.705 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.421 -4.873 -12.480 1.00 0.00 N ATOM 1185 CA PRO A 78 -1.314 -5.042 -13.932 1.00 0.00 C ATOM 1186 C PRO A 78 -0.129 -4.284 -14.518 1.00 0.00 C ATOM 1187 O PRO A 78 0.053 -4.242 -15.735 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.631 -4.462 -14.455 1.00 0.00 C ATOM 1189 CG PRO A 78 -3.058 -3.490 -13.410 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.587 -4.057 -12.099 1.00 0.00 C ATOM 0 HA PRO A 78 -1.151 -6.083 -14.210 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.493 -3.972 -15.419 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.378 -5.243 -14.599 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.622 -2.507 -13.589 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.141 -3.363 -13.414 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.314 -3.270 -11.396 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.360 -4.659 -11.621 1.00 0.00 H new ATOM 1198 N SER A 79 0.676 -3.686 -13.645 1.00 0.00 N ATOM 1199 CA SER A 79 1.843 -2.927 -14.077 1.00 0.00 C ATOM 1200 C SER A 79 3.126 -3.544 -13.530 1.00 0.00 C ATOM 1201 O SER A 79 4.098 -3.734 -14.261 1.00 0.00 O ATOM 1202 CB SER A 79 1.729 -1.471 -13.619 1.00 0.00 C ATOM 1203 OG SER A 79 0.960 -0.708 -14.533 1.00 0.00 O ATOM 0 H SER A 79 0.541 -3.713 -12.634 1.00 0.00 H new ATOM 0 HA SER A 79 1.882 -2.957 -15.166 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.270 -1.432 -12.631 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.724 -1.037 -13.525 1.00 0.00 H new ATOM 0 HG SER A 79 0.900 0.218 -14.217 1.00 0.00 H new ATOM 1209 N ARG A 80 3.121 -3.856 -12.238 1.00 0.00 N ATOM 1210 CA ARG A 80 4.284 -4.451 -11.591 1.00 0.00 C ATOM 1211 C ARG A 80 3.918 -5.005 -10.217 1.00 0.00 C ATOM 1212 O ARG A 80 3.457 -4.271 -9.343 1.00 0.00 O ATOM 1213 CB ARG A 80 5.403 -3.417 -11.454 1.00 0.00 C ATOM 1214 CG ARG A 80 5.042 -2.243 -10.560 1.00 0.00 C ATOM 1215 CD ARG A 80 6.157 -1.210 -10.517 1.00 0.00 C ATOM 1216 NE ARG A 80 6.158 -0.457 -9.266 1.00 0.00 N ATOM 1217 CZ ARG A 80 7.222 0.183 -8.794 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.366 0.159 -9.465 1.00 0.00 N ATOM 1219 NH2 ARG A 80 7.144 0.847 -7.648 1.00 0.00 N ATOM 0 H ARG A 80 2.324 -3.707 -11.619 1.00 0.00 H new ATOM 0 HA ARG A 80 4.633 -5.274 -12.214 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.291 -3.907 -11.055 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.663 -3.042 -12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.126 -1.776 -10.923 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.838 -2.602 -9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.118 -1.709 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.045 -0.521 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 80 5.294 -0.420 -8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.430 -0.352 -10.346 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.182 0.651 -9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.266 0.866 -7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.962 1.338 -7.286 1.00 0.00 H new ATOM 1233 N VAL A 81 4.127 -6.305 -10.033 1.00 0.00 N ATOM 1234 CA VAL A 81 3.820 -6.957 -8.766 1.00 0.00 C ATOM 1235 C VAL A 81 4.846 -6.595 -7.699 1.00 0.00 C ATOM 1236 O VAL A 81 6.028 -6.917 -7.826 1.00 0.00 O ATOM 1237 CB VAL A 81 3.774 -8.489 -8.920 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.429 -9.149 -7.594 1.00 0.00 C ATOM 1239 CG2 VAL A 81 2.776 -8.886 -9.998 1.00 0.00 C ATOM 0 H VAL A 81 4.508 -6.927 -10.746 1.00 0.00 H new ATOM 0 HA VAL A 81 2.837 -6.601 -8.457 1.00 0.00 H new ATOM 0 HB VAL A 81 4.761 -8.836 -9.225 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.401 -10.231 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.184 -8.891 -6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.454 -8.799 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.756 -9.972 -10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.784 -8.528 -9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.072 -8.443 -10.949 1.00 0.00 H new ATOM 1249 N ILE A 82 4.387 -5.925 -6.647 1.00 0.00 N ATOM 1250 CA ILE A 82 5.266 -5.521 -5.557 1.00 0.00 C ATOM 1251 C ILE A 82 5.183 -6.502 -4.392 1.00 0.00 C ATOM 1252 O ILE A 82 4.188 -7.208 -4.230 1.00 0.00 O ATOM 1253 CB ILE A 82 4.920 -4.108 -5.049 1.00 0.00 C ATOM 1254 CG1 ILE A 82 4.906 -3.114 -6.212 1.00 0.00 C ATOM 1255 CG2 ILE A 82 5.913 -3.671 -3.983 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.231 -3.012 -6.935 1.00 0.00 C ATOM 0 H ILE A 82 3.412 -5.651 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 82 6.281 -5.517 -5.955 1.00 0.00 H new ATOM 0 HB ILE A 82 3.925 -4.131 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.135 -3.410 -6.923 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.630 -2.129 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.656 -2.671 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.878 -4.368 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.918 -3.661 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.148 -2.290 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.002 -2.686 -6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.499 -3.987 -7.343 1.00 0.00 H new ATOM 1268 N THR A 83 6.236 -6.539 -3.581 1.00 0.00 N ATOM 1269 CA THR A 83 6.283 -7.432 -2.430 1.00 0.00 C ATOM 1270 C THR A 83 6.753 -6.695 -1.181 1.00 0.00 C ATOM 1271 O THR A 83 7.924 -6.330 -1.067 1.00 0.00 O ATOM 1272 CB THR A 83 7.215 -8.631 -2.687 1.00 0.00 C ATOM 1273 OG1 THR A 83 6.947 -9.192 -3.976 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.035 -9.696 -1.616 1.00 0.00 C ATOM 0 H THR A 83 7.068 -5.961 -3.700 1.00 0.00 H new ATOM 0 HA THR A 83 5.268 -7.798 -2.272 1.00 0.00 H new ATOM 0 HB THR A 83 8.245 -8.276 -2.653 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.545 -9.953 -4.132 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.704 -10.533 -1.819 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.269 -9.273 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.003 -10.047 -1.621 1.00 0.00 H new ATOM 1282 N LEU A 84 5.834 -6.480 -0.246 1.00 0.00 N ATOM 1283 CA LEU A 84 6.156 -5.787 0.997 1.00 0.00 C ATOM 1284 C LEU A 84 5.754 -6.624 2.207 1.00 0.00 C ATOM 1285 O LEU A 84 4.809 -7.411 2.146 1.00 0.00 O ATOM 1286 CB LEU A 84 5.450 -4.430 1.044 1.00 0.00 C ATOM 1287 CG LEU A 84 5.411 -3.648 -0.269 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.582 -2.382 -0.112 1.00 0.00 C ATOM 1289 CD2 LEU A 84 6.821 -3.310 -0.730 1.00 0.00 C ATOM 0 H LEU A 84 4.861 -6.775 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 84 7.234 -5.631 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.425 -4.588 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.941 -3.813 1.797 1.00 0.00 H new ATOM 0 HG LEU A 84 4.942 -4.273 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.566 -1.838 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.564 -2.647 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.022 -1.752 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.774 -2.753 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.316 -2.704 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.384 -4.231 -0.883 1.00 0.00 H new ATOM 1301 N LYS A 85 6.477 -6.448 3.308 1.00 0.00 N ATOM 1302 CA LYS A 85 6.196 -7.184 4.534 1.00 0.00 C ATOM 1303 C LYS A 85 5.883 -6.229 5.682 1.00 0.00 C ATOM 1304 O LYS A 85 6.302 -5.072 5.671 1.00 0.00 O ATOM 1305 CB LYS A 85 7.385 -8.073 4.905 1.00 0.00 C ATOM 1306 CG LYS A 85 8.625 -7.292 5.308 1.00 0.00 C ATOM 1307 CD LYS A 85 9.687 -8.201 5.903 1.00 0.00 C ATOM 1308 CE LYS A 85 10.505 -7.482 6.964 1.00 0.00 C ATOM 1309 NZ LYS A 85 9.868 -7.567 8.308 1.00 0.00 N ATOM 0 H LYS A 85 7.263 -5.801 3.376 1.00 0.00 H new ATOM 0 HA LYS A 85 5.323 -7.812 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.096 -8.729 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.628 -8.713 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.031 -6.778 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.353 -6.525 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.212 -9.079 6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.347 -8.557 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.504 -7.915 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.623 -6.435 6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.456 -7.065 9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.925 -7.131 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.778 -8.565 8.587 1.00 0.00 H new ATOM 1323 N ALA A 86 5.147 -6.723 6.673 1.00 0.00 N ATOM 1324 CA ALA A 86 4.782 -5.914 7.829 1.00 0.00 C ATOM 1325 C ALA A 86 5.548 -6.356 9.072 1.00 0.00 C ATOM 1326 O ALA A 86 6.324 -7.310 9.027 1.00 0.00 O ATOM 1327 CB ALA A 86 3.283 -5.992 8.076 1.00 0.00 C ATOM 0 H ALA A 86 4.792 -7.679 6.698 1.00 0.00 H new ATOM 0 HA ALA A 86 5.051 -4.879 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.025 -5.383 8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.750 -5.622 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.998 -7.028 8.263 1.00 0.00 H new ATOM 1333 N ALA A 87 5.325 -5.656 10.179 1.00 0.00 N ATOM 1334 CA ALA A 87 5.993 -5.978 11.434 1.00 0.00 C ATOM 1335 C ALA A 87 5.719 -7.420 11.848 1.00 0.00 C ATOM 1336 O ALA A 87 6.646 -8.201 12.067 1.00 0.00 O ATOM 1337 CB ALA A 87 5.549 -5.019 12.529 1.00 0.00 C ATOM 0 H ALA A 87 4.687 -4.862 10.232 1.00 0.00 H new ATOM 0 HA ALA A 87 7.067 -5.869 11.284 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.056 -5.271 13.461 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.802 -3.998 12.243 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.471 -5.100 12.669 1.00 0.00 H new ATOM 1343 N THR A 88 4.440 -7.768 11.953 1.00 0.00 N ATOM 1344 CA THR A 88 4.045 -9.116 12.342 1.00 0.00 C ATOM 1345 C THR A 88 2.985 -9.672 11.398 1.00 0.00 C ATOM 1346 O THR A 88 2.564 -9.001 10.456 1.00 0.00 O ATOM 1347 CB THR A 88 3.500 -9.147 13.783 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.284 -8.395 13.863 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.519 -8.579 14.759 1.00 0.00 C ATOM 0 H THR A 88 3.660 -7.135 11.774 1.00 0.00 H new ATOM 0 HA THR A 88 4.939 -9.737 12.286 1.00 0.00 H new ATOM 0 HB THR A 88 3.303 -10.185 14.051 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.943 -8.421 14.781 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.112 -8.611 15.770 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.433 -9.172 14.717 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.743 -7.547 14.491 1.00 0.00 H new ATOM 1357 N LYS A 89 2.557 -10.903 11.656 1.00 0.00 N ATOM 1358 CA LYS A 89 1.544 -11.550 10.831 1.00 0.00 C ATOM 1359 C LYS A 89 0.237 -10.765 10.859 1.00 0.00 C ATOM 1360 O LYS A 89 -0.383 -10.540 9.820 1.00 0.00 O ATOM 1361 CB LYS A 89 1.302 -12.982 11.314 1.00 0.00 C ATOM 1362 CG LYS A 89 0.076 -13.633 10.697 1.00 0.00 C ATOM 1363 CD LYS A 89 0.385 -14.220 9.330 1.00 0.00 C ATOM 1364 CE LYS A 89 -0.869 -14.761 8.660 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.428 -15.931 9.392 1.00 0.00 N ATOM 0 H LYS A 89 2.896 -11.473 12.431 1.00 0.00 H new ATOM 0 HA LYS A 89 1.910 -11.576 9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.179 -13.587 11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.194 -12.977 12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.291 -14.419 11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.722 -12.896 10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.836 -13.455 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.118 -15.020 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.621 -13.973 8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.637 -15.051 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.220 -16.333 8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.688 -16.652 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.767 -15.626 10.327 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.174 -10.351 12.052 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.408 -9.590 12.213 1.00 0.00 C ATOM 1381 C GLN A 90 -1.248 -8.173 11.672 1.00 0.00 C ATOM 1382 O GLN A 90 -2.232 -7.503 11.359 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.814 -9.542 13.687 1.00 0.00 C ATOM 1384 CG GLN A 90 -3.317 -9.479 13.903 1.00 0.00 C ATOM 1385 CD GLN A 90 -3.694 -8.765 15.186 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -3.126 -7.725 15.520 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -4.656 -9.321 15.913 1.00 0.00 N ATOM 0 H GLN A 90 0.329 -10.529 12.922 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.191 -10.091 11.644 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.419 -10.423 14.193 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.352 -8.673 14.154 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.780 -8.969 13.058 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.720 -10.492 13.924 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.100 -10.184 15.598 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.952 -8.885 16.787 1.00 0.00 H new ATOM 1396 N ALA A 91 -0.002 -7.723 11.563 1.00 0.00 N ATOM 1397 CA ALA A 91 0.286 -6.387 11.057 1.00 0.00 C ATOM 1398 C ALA A 91 -0.194 -6.229 9.619 1.00 0.00 C ATOM 1399 O ALA A 91 -0.909 -5.281 9.293 1.00 0.00 O ATOM 1400 CB ALA A 91 1.776 -6.096 11.154 1.00 0.00 C ATOM 0 H ALA A 91 0.824 -8.264 11.818 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.254 -5.668 11.673 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.977 -5.095 10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.092 -6.158 12.195 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.329 -6.827 10.564 1.00 0.00 H new ATOM 1406 N MET A 92 0.204 -7.163 8.761 1.00 0.00 N ATOM 1407 CA MET A 92 -0.187 -7.127 7.357 1.00 0.00 C ATOM 1408 C MET A 92 -1.702 -7.024 7.216 1.00 0.00 C ATOM 1409 O MET A 92 -2.210 -6.254 6.400 1.00 0.00 O ATOM 1410 CB MET A 92 0.321 -8.374 6.631 1.00 0.00 C ATOM 1411 CG MET A 92 0.203 -9.647 7.455 1.00 0.00 C ATOM 1412 SD MET A 92 0.611 -11.127 6.509 1.00 0.00 S ATOM 1413 CE MET A 92 -0.896 -12.076 6.700 1.00 0.00 C ATOM 0 H MET A 92 0.797 -7.954 9.014 1.00 0.00 H new ATOM 0 HA MET A 92 0.263 -6.243 6.904 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.238 -8.498 5.704 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.365 -8.224 6.356 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.864 -9.579 8.319 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.814 -9.734 7.838 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.762 -13.064 6.261 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.130 -12.179 7.760 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.715 -11.563 6.196 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.420 -7.805 8.016 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.878 -7.803 7.981 1.00 0.00 C ATOM 1425 C LEU A 93 -4.419 -6.378 7.906 1.00 0.00 C ATOM 1426 O LEU A 93 -5.323 -6.087 7.123 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.439 -8.509 9.217 1.00 0.00 C ATOM 1428 CG LEU A 93 -4.536 -10.033 9.133 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -5.657 -10.445 8.192 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -3.210 -10.627 8.679 1.00 0.00 C ATOM 0 H LEU A 93 -2.016 -8.448 8.697 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.196 -8.341 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.815 -8.251 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.434 -8.112 9.417 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.763 -10.419 10.127 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.711 -11.533 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.604 -10.050 8.560 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.460 -10.048 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.297 -11.712 8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.953 -10.234 7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.429 -10.361 9.391 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.857 -5.495 8.724 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.283 -4.101 8.751 1.00 0.00 C ATOM 1444 C TYR A 94 -4.021 -3.425 7.408 1.00 0.00 C ATOM 1445 O TYR A 94 -4.849 -2.659 6.915 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.556 -3.345 9.865 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.608 -1.842 9.711 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.812 -1.155 9.803 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.452 -1.108 9.474 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -4.865 0.218 9.662 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.495 0.266 9.333 1.00 0.00 C ATOM 1452 CZ TYR A 94 -3.703 0.924 9.427 1.00 0.00 C ATOM 1453 OH TYR A 94 -3.751 2.292 9.288 1.00 0.00 O ATOM 0 H TYR A 94 -3.106 -5.720 9.377 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.355 -4.079 8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.995 -3.619 10.825 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.514 -3.664 9.888 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.723 -1.705 9.988 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.504 -1.620 9.399 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.810 0.736 9.735 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.587 0.822 9.150 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.848 2.636 9.128 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.865 -3.716 6.823 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.494 -3.138 5.536 1.00 0.00 C ATOM 1465 C TRP A 95 -3.400 -3.655 4.425 1.00 0.00 C ATOM 1466 O TRP A 95 -3.995 -2.874 3.681 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.034 -3.459 5.212 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.071 -2.435 5.732 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.588 -2.462 6.928 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.340 -1.232 5.073 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.383 -1.348 7.052 1.00 0.00 N ATOM 1472 CE2 TRP A 95 1.249 -0.579 5.927 1.00 0.00 C ATOM 1473 CE3 TRP A 95 0.029 -0.645 3.844 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.848 0.632 5.589 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.624 0.557 3.511 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.525 1.185 4.380 1.00 0.00 C ATOM 0 H TRP A 95 -2.169 -4.348 7.218 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.615 -2.057 5.603 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.781 -4.432 5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.919 -3.540 4.131 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.498 -3.244 7.668 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.977 -1.129 7.852 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.664 -1.122 3.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.543 1.118 6.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.390 1.020 2.564 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.973 2.124 4.090 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.501 -4.975 4.316 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.336 -5.597 3.295 1.00 0.00 C ATOM 1489 C LEU A 96 -5.793 -5.171 3.448 1.00 0.00 C ATOM 1490 O LEU A 96 -6.483 -4.922 2.460 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.227 -7.121 3.377 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.814 -7.686 3.523 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.856 -9.198 3.677 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -1.956 -7.294 2.328 1.00 0.00 C ATOM 0 H LEU A 96 -3.015 -5.635 4.923 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.981 -5.265 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.823 -7.463 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.676 -7.546 2.479 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.366 -7.262 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.841 -9.582 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.433 -9.457 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.324 -9.640 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.954 -7.705 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.402 -7.688 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.897 -6.208 2.263 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.252 -5.088 4.693 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.626 -4.691 4.975 1.00 0.00 C ATOM 1508 C GLN A 97 -7.851 -3.224 4.625 1.00 0.00 C ATOM 1509 O GLN A 97 -8.754 -2.891 3.859 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.957 -4.933 6.448 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.331 -4.425 6.855 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.427 -5.440 6.600 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.208 -6.454 5.936 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.616 -5.173 7.127 1.00 0.00 N ATOM 0 H GLN A 97 -5.693 -5.290 5.522 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.287 -5.299 4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.898 -6.002 6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.202 -4.447 7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.320 -4.166 7.914 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.553 -3.510 6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.753 -4.321 7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.392 -5.820 6.988 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.023 -2.352 5.192 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.133 -0.920 4.940 1.00 0.00 C ATOM 1525 C GLN A 98 -6.932 -0.610 3.461 1.00 0.00 C ATOM 1526 O GLN A 98 -7.820 -0.066 2.803 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.109 -0.153 5.778 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.558 0.099 7.208 1.00 0.00 C ATOM 1529 CD GLN A 98 -7.988 0.595 7.292 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -8.937 -0.333 7.309 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.237 1.800 7.342 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.269 -2.612 5.828 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.136 -0.603 5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.173 -0.712 5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.902 0.803 5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.463 -0.822 7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.896 0.832 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.476 2.479 7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.204 2.119 7.399 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.760 -0.959 2.943 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.441 -0.718 1.540 1.00 0.00 C ATOM 1542 C LEU A 99 -6.682 -0.871 0.665 1.00 0.00 C ATOM 1543 O LEU A 99 -6.958 -0.029 -0.188 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.351 -1.684 1.071 1.00 0.00 C ATOM 1545 CG LEU A 99 -2.928 -1.362 1.528 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -1.990 -2.515 1.207 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.437 -0.076 0.879 1.00 0.00 C ATOM 0 H LEU A 99 -5.014 -1.410 3.473 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.077 0.305 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.606 -2.685 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.364 -1.713 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.938 -1.219 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.982 -2.267 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.331 -3.415 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.984 -2.691 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.423 0.137 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.443 -0.190 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.093 0.747 1.161 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.426 -1.951 0.886 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.638 -2.212 0.119 1.00 0.00 C ATOM 1561 C GLN A 100 -9.644 -1.079 0.288 1.00 0.00 C ATOM 1562 O GLN A 100 -10.108 -0.497 -0.692 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.266 -3.537 0.554 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.698 -4.747 -0.170 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.507 -6.006 0.073 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.308 -6.416 -0.768 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.301 -6.628 1.228 1.00 0.00 N ATOM 0 H GLN A 100 -7.211 -2.658 1.589 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.365 -2.276 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.119 -3.664 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.342 -3.493 0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.664 -4.542 -1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.671 -4.911 0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.628 -6.253 1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.816 -7.481 1.447 1.00 0.00 H new ATOM 1576 N MET A 101 -9.977 -0.772 1.537 1.00 0.00 N ATOM 1577 CA MET A 101 -10.929 0.293 1.834 1.00 0.00 C ATOM 1578 C MET A 101 -10.802 1.432 0.827 1.00 0.00 C ATOM 1579 O MET A 101 -11.801 1.933 0.312 1.00 0.00 O ATOM 1580 CB MET A 101 -10.708 0.823 3.252 1.00 0.00 C ATOM 1581 CG MET A 101 -11.140 -0.148 4.338 1.00 0.00 C ATOM 1582 SD MET A 101 -12.865 -0.648 4.176 1.00 0.00 S ATOM 1583 CE MET A 101 -12.679 -2.287 3.480 1.00 0.00 C ATOM 0 H MET A 101 -9.602 -1.245 2.360 1.00 0.00 H new ATOM 0 HA MET A 101 -11.934 -0.122 1.762 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.651 1.056 3.383 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.257 1.757 3.372 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.504 -1.033 4.303 1.00 0.00 H new ATOM 0 HG3 MET A 101 -10.990 0.314 5.314 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.635 -2.622 3.077 1.00 0.00 H new ATOM 0 HE2 MET A 101 -11.938 -2.261 2.681 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.351 -2.977 4.257 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.567 1.836 0.551 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.308 2.915 -0.395 1.00 0.00 C ATOM 1595 C LYS A 102 -9.814 2.552 -1.787 1.00 0.00 C ATOM 1596 O LYS A 102 -10.559 3.313 -2.405 1.00 0.00 O ATOM 1597 CB LYS A 102 -7.810 3.224 -0.451 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.179 3.425 0.917 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.665 4.706 1.572 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.005 4.925 2.925 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.785 4.301 4.030 1.00 0.00 N ATOM 0 H LYS A 102 -8.729 1.432 0.969 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.843 3.800 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.298 2.408 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.655 4.122 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.417 2.575 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.094 3.455 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.451 5.553 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.747 4.665 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.998 4.507 2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.904 5.994 3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.303 4.472 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.737 4.718 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.860 3.277 3.866 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.407 1.384 -2.274 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.821 0.920 -3.593 1.00 0.00 C ATOM 1617 C ARG A 103 -11.319 0.632 -3.623 1.00 0.00 C ATOM 1618 O ARG A 103 -12.059 1.225 -4.408 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.041 -0.337 -3.982 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.634 -1.079 -5.169 1.00 0.00 C ATOM 1621 CD ARG A 103 -9.081 -2.491 -5.276 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.995 -3.384 -5.984 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.907 -4.709 -5.943 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -8.951 -5.291 -5.232 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.776 -5.454 -6.614 1.00 0.00 N ATOM 0 H ARG A 103 -8.791 0.742 -1.775 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.606 1.710 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.013 -0.059 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.003 -1.010 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.719 -1.119 -5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.418 -0.532 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.123 -2.467 -5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.892 -2.883 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.742 -2.967 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.281 -4.721 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.885 -6.308 -5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.513 -5.010 -7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.707 -6.471 -6.582 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.758 -0.281 -2.764 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.168 -0.648 -2.694 1.00 0.00 C ATOM 1641 C TRP A 104 -14.049 0.593 -2.601 1.00 0.00 C ATOM 1642 O TRP A 104 -15.107 0.660 -3.225 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.419 -1.558 -1.490 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.824 -1.485 -0.974 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.904 -2.184 -1.434 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.301 -0.667 0.100 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -17.023 -1.849 -0.711 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.680 -0.921 0.236 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.698 0.255 0.960 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.462 -0.286 1.197 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.476 0.885 1.913 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -16.846 0.612 2.026 1.00 0.00 C ATOM 0 H TRP A 104 -11.159 -0.780 -2.107 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.425 -1.185 -3.607 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.195 -2.588 -1.769 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.731 -1.287 -0.689 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.881 -2.895 -2.246 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.958 -2.230 -0.856 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.643 0.471 0.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.518 -0.495 1.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.020 1.600 2.582 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.427 1.120 2.782 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.605 1.572 -1.819 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.356 2.810 -1.646 1.00 0.00 C ATOM 1665 C GLU A 105 -14.648 3.462 -2.995 1.00 0.00 C ATOM 1666 O GLU A 105 -15.784 3.839 -3.282 1.00 0.00 O ATOM 1667 CB GLU A 105 -13.581 3.782 -0.755 1.00 0.00 C ATOM 1668 CG GLU A 105 -13.833 3.579 0.730 1.00 0.00 C ATOM 1669 CD GLU A 105 -15.092 4.276 1.208 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -16.099 4.255 0.471 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -15.070 4.842 2.322 1.00 0.00 O ATOM 0 H GLU A 105 -12.730 1.532 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.304 2.566 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.515 3.671 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.851 4.803 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.911 2.512 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.979 3.953 1.294 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.613 3.593 -3.819 1.00 0.00 N ATOM 1679 CA PHE A 106 -13.757 4.201 -5.136 1.00 0.00 C ATOM 1680 C PHE A 106 -14.811 3.468 -5.961 1.00 0.00 C ATOM 1681 O PHE A 106 -15.644 4.091 -6.620 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.417 4.191 -5.875 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.553 4.332 -7.364 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -12.856 5.558 -7.933 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.377 3.237 -8.195 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -12.981 5.691 -9.303 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.501 3.364 -9.566 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.804 4.592 -10.120 1.00 0.00 C ATOM 0 H PHE A 106 -12.666 3.286 -3.597 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.081 5.233 -4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.796 5.003 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.895 3.260 -5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -12.996 6.421 -7.298 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.140 2.274 -7.767 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.217 6.653 -9.734 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.361 2.503 -10.203 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.902 4.693 -11.191 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.768 2.140 -5.920 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.718 1.321 -6.663 1.00 0.00 C ATOM 1700 C HIS A 107 -17.146 1.582 -6.192 1.00 0.00 C ATOM 1701 O HIS A 107 -18.048 1.794 -7.001 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.380 -0.162 -6.505 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.148 -0.578 -7.248 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -14.087 -0.651 -8.623 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.924 -0.942 -6.799 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.880 -1.044 -8.988 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.154 -1.227 -7.900 1.00 0.00 N ATOM 0 H HIS A 107 -14.085 1.609 -5.380 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.646 1.592 -7.716 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.249 -0.385 -5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.223 -0.758 -6.854 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.611 -0.998 -5.767 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.544 -1.191 -10.004 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.180 -1.530 -7.881 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.342 1.563 -4.877 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.660 1.797 -4.298 1.00 0.00 C ATOM 1718 C ASN A 108 -19.185 3.178 -4.679 1.00 0.00 C ATOM 1719 O ASN A 108 -20.297 3.312 -5.190 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.602 1.663 -2.775 1.00 0.00 C ATOM 1721 CG ASN A 108 -18.671 0.219 -2.319 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -19.542 -0.155 -1.533 1.00 0.00 O ATOM 1723 ND2 ASN A 108 -17.750 -0.602 -2.811 1.00 0.00 N ATOM 0 H ASN A 108 -16.606 1.388 -4.193 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.343 1.046 -4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -17.680 2.113 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.427 2.221 -2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -17.746 -1.585 -2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -17.047 -0.249 -3.460 1.00 0.00 H new ATOM 1730 N SER A 109 -18.376 4.202 -4.428 1.00 0.00 N ATOM 1731 CA SER A 109 -18.759 5.574 -4.741 1.00 0.00 C ATOM 1732 C SER A 109 -18.588 5.859 -6.230 1.00 0.00 C ATOM 1733 O SER A 109 -17.630 5.419 -6.866 1.00 0.00 O ATOM 1734 CB SER A 109 -17.923 6.559 -3.922 1.00 0.00 C ATOM 1735 OG SER A 109 -16.591 6.621 -4.403 1.00 0.00 O ATOM 0 H SER A 109 -17.451 4.108 -4.009 1.00 0.00 H new ATOM 0 HA SER A 109 -19.811 5.700 -4.483 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.375 7.550 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.921 6.256 -2.875 1.00 0.00 H new ATOM 0 HG SER A 109 -16.114 5.802 -4.152 1.00 0.00 H new ATOM 1741 N PRO A 110 -19.540 6.613 -6.800 1.00 0.00 N ATOM 1742 CA PRO A 110 -19.518 6.975 -8.220 1.00 0.00 C ATOM 1743 C PRO A 110 -18.402 7.960 -8.550 1.00 0.00 C ATOM 1744 O PRO A 110 -17.973 8.753 -7.712 1.00 0.00 O ATOM 1745 CB PRO A 110 -20.886 7.624 -8.442 1.00 0.00 C ATOM 1746 CG PRO A 110 -21.285 8.136 -7.101 1.00 0.00 C ATOM 1747 CD PRO A 110 -20.710 7.171 -6.102 1.00 0.00 C ATOM 0 HA PRO A 110 -19.332 6.111 -8.858 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -20.827 8.431 -9.172 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -21.609 6.902 -8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -20.900 9.143 -6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -22.370 8.191 -7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -20.425 7.673 -5.177 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -21.427 6.394 -5.835 1.00 0.00 H new ATOM 1755 N PRO A 111 -17.918 7.911 -9.800 1.00 0.00 N ATOM 1756 CA PRO A 111 -16.846 8.794 -10.270 1.00 0.00 C ATOM 1757 C PRO A 111 -17.303 10.243 -10.398 1.00 0.00 C ATOM 1758 O PRO A 111 -18.447 10.513 -10.761 1.00 0.00 O ATOM 1759 CB PRO A 111 -16.491 8.221 -11.644 1.00 0.00 C ATOM 1760 CG PRO A 111 -17.730 7.528 -12.097 1.00 0.00 C ATOM 1761 CD PRO A 111 -18.382 6.991 -10.852 1.00 0.00 C ATOM 0 HA PRO A 111 -16.007 8.822 -9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -16.202 9.009 -12.339 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -15.651 7.529 -11.579 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -18.394 8.217 -12.619 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -17.495 6.723 -12.793 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -19.469 6.991 -10.935 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -18.078 5.964 -10.650 1.00 0.00 H new ATOM 1769 N ALA A 112 -16.400 11.172 -10.099 1.00 0.00 N ATOM 1770 CA ALA A 112 -16.710 12.594 -10.183 1.00 0.00 C ATOM 1771 C ALA A 112 -16.930 13.022 -11.630 1.00 0.00 C ATOM 1772 O ALA A 112 -16.268 12.545 -12.552 1.00 0.00 O ATOM 1773 CB ALA A 112 -15.597 13.415 -9.551 1.00 0.00 C ATOM 0 H ALA A 112 -15.448 10.965 -9.797 1.00 0.00 H new ATOM 0 HA ALA A 112 -17.634 12.773 -9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -15.842 14.475 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -15.489 13.136 -8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.661 13.224 -10.076 1.00 0.00 H new ATOM 1779 N PRO A 113 -17.882 13.944 -11.837 1.00 0.00 N ATOM 1780 CA PRO A 113 -18.212 14.457 -13.170 1.00 0.00 C ATOM 1781 C PRO A 113 -17.103 15.332 -13.744 1.00 0.00 C ATOM 1782 O PRO A 113 -16.983 16.507 -13.396 1.00 0.00 O ATOM 1783 CB PRO A 113 -19.476 15.285 -12.929 1.00 0.00 C ATOM 1784 CG PRO A 113 -19.397 15.689 -11.497 1.00 0.00 C ATOM 1785 CD PRO A 113 -18.711 14.556 -10.785 1.00 0.00 C ATOM 0 HA PRO A 113 -18.345 13.654 -13.895 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -19.510 16.155 -13.585 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -20.375 14.701 -13.127 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -18.837 16.617 -11.384 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -20.391 15.864 -11.085 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -18.105 14.913 -9.952 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -19.429 13.846 -10.375 1.00 0.00 H new ATOM 1793 N SER A 114 -16.295 14.753 -14.626 1.00 0.00 N ATOM 1794 CA SER A 114 -15.193 15.480 -15.246 1.00 0.00 C ATOM 1795 C SER A 114 -15.590 15.992 -16.628 1.00 0.00 C ATOM 1796 O SER A 114 -16.194 15.270 -17.420 1.00 0.00 O ATOM 1797 CB SER A 114 -13.960 14.581 -15.358 1.00 0.00 C ATOM 1798 OG SER A 114 -12.778 15.351 -15.491 1.00 0.00 O ATOM 0 H SER A 114 -16.383 13.783 -14.928 1.00 0.00 H new ATOM 0 HA SER A 114 -14.954 16.336 -14.615 1.00 0.00 H new ATOM 0 HB2 SER A 114 -13.887 13.947 -14.475 1.00 0.00 H new ATOM 0 HB3 SER A 114 -14.065 13.919 -16.218 1.00 0.00 H new ATOM 0 HG SER A 114 -12.004 14.753 -15.559 1.00 0.00 H new ATOM 1804 N GLY A 115 -15.245 17.245 -16.909 1.00 0.00 N ATOM 1805 CA GLY A 115 -15.573 17.834 -18.194 1.00 0.00 C ATOM 1806 C GLY A 115 -14.730 17.272 -19.321 1.00 0.00 C ATOM 1807 O GLY A 115 -15.220 16.552 -20.192 1.00 0.00 O ATOM 0 H GLY A 115 -14.744 17.862 -16.270 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -16.627 17.661 -18.411 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -15.432 18.914 -18.142 1.00 0.00 H new ATOM 1811 N PRO A 116 -13.431 17.604 -19.316 1.00 0.00 N ATOM 1812 CA PRO A 116 -12.490 17.139 -20.340 1.00 0.00 C ATOM 1813 C PRO A 116 -12.210 15.644 -20.233 1.00 0.00 C ATOM 1814 O PRO A 116 -11.588 15.186 -19.274 1.00 0.00 O ATOM 1815 CB PRO A 116 -11.221 17.943 -20.048 1.00 0.00 C ATOM 1816 CG PRO A 116 -11.314 18.285 -18.600 1.00 0.00 C ATOM 1817 CD PRO A 116 -12.779 18.458 -18.309 1.00 0.00 C ATOM 0 HA PRO A 116 -12.880 17.284 -21.348 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -10.325 17.360 -20.260 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -11.170 18.841 -20.664 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -10.884 17.495 -17.984 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -10.762 19.198 -18.378 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -13.027 18.144 -17.295 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -13.087 19.499 -18.405 1.00 0.00 H new ATOM 1825 N SER A 117 -12.672 14.888 -21.224 1.00 0.00 N ATOM 1826 CA SER A 117 -12.473 13.443 -21.239 1.00 0.00 C ATOM 1827 C SER A 117 -11.680 13.017 -22.471 1.00 0.00 C ATOM 1828 O SER A 117 -12.042 13.347 -23.600 1.00 0.00 O ATOM 1829 CB SER A 117 -13.821 12.721 -21.211 1.00 0.00 C ATOM 1830 OG SER A 117 -13.700 11.437 -20.626 1.00 0.00 O ATOM 0 H SER A 117 -13.186 15.252 -22.026 1.00 0.00 H new ATOM 0 HA SER A 117 -11.904 13.170 -20.350 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.543 13.314 -20.649 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.208 12.627 -22.226 1.00 0.00 H new ATOM 0 HG SER A 117 -14.576 10.997 -20.619 1.00 0.00 H new ATOM 1836 N SER A 118 -10.597 12.281 -22.244 1.00 0.00 N ATOM 1837 CA SER A 118 -9.749 11.812 -23.335 1.00 0.00 C ATOM 1838 C SER A 118 -9.813 10.293 -23.457 1.00 0.00 C ATOM 1839 O SER A 118 -10.261 9.603 -22.543 1.00 0.00 O ATOM 1840 CB SER A 118 -8.302 12.257 -23.112 1.00 0.00 C ATOM 1841 OG SER A 118 -8.136 13.629 -23.426 1.00 0.00 O ATOM 0 H SER A 118 -10.286 11.996 -21.315 1.00 0.00 H new ATOM 0 HA SER A 118 -10.117 12.250 -24.263 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.020 12.082 -22.074 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.634 11.656 -23.729 1.00 0.00 H new ATOM 0 HG SER A 118 -7.203 13.889 -23.274 1.00 0.00 H new ATOM 1847 N GLY A 119 -9.361 9.778 -24.597 1.00 0.00 N ATOM 1848 CA GLY A 119 -9.376 8.344 -24.820 1.00 0.00 C ATOM 1849 C GLY A 119 -8.264 7.890 -25.745 1.00 0.00 C ATOM 1850 O GLY A 119 -7.945 6.703 -25.807 1.00 0.00 O ATOM 0 H GLY A 119 -8.985 10.328 -25.369 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.282 7.830 -23.864 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.338 8.055 -25.244 1.00 0.00 H new TER 1854 GLY A 119