USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 723 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 37 CYS SG : rot -135:sc= -9.31! USER MOD Set 1.2: A 47 CYS SG : rot -91:sc= -15.3! USER MOD Set 2.1: A 27 GLN : amide:sc= -1.24 K(o=-5.6,f=-4.5!) USER MOD Set 2.2: A 32 TYR OH : rot -90:sc= -2.46 USER MOD Set 2.3: A 103 ASN : amide:sc= -1.94! K(o=-5.6!,f=-5) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.876 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.93! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -4:sc= 1.05 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 94:sc= -0.239 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0521 USER MOD Single : A 36 GLN : amide:sc= -15.2! C(o=-15!,f=-21!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -10.4! C(o=-10!,f=-10!) USER MOD Single : A 53 SER OG : rot -170:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0593 X(o=-0.059,f=-0.32) USER MOD Single : A 62 SER OG : rot 44:sc=-0.00541 USER MOD Single : A 64 SER OG : rot 2:sc= 0.591! USER MOD Single : A 65 THR OG1 : rot 57:sc= -1.19 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 61:sc= -2.62! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -170:sc= 0 USER MOD Single : A 111 SER OG : rot -175:sc= -6.26! USER MOD Single : A 113 ASN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 2.795 12.465 -5.121 1.00 0.00 N ATOM 12 CA ALA A 2 3.377 11.502 -4.207 1.00 0.00 C ATOM 13 C ALA A 2 4.737 11.997 -3.735 1.00 0.00 C ATOM 14 O ALA A 2 5.600 12.317 -4.550 1.00 0.00 O ATOM 15 CB ALA A 2 3.505 10.152 -4.906 1.00 0.00 C ATOM 0 HA ALA A 2 2.733 11.385 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.943 9.427 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.518 9.808 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.146 10.255 -5.782 1.00 0.00 H new ATOM 21 N PRO A 3 4.927 12.059 -2.415 1.00 0.00 N ATOM 22 CA PRO A 3 6.153 12.502 -1.787 1.00 0.00 C ATOM 23 C PRO A 3 7.229 11.441 -1.963 1.00 0.00 C ATOM 24 O PRO A 3 7.011 10.438 -2.640 1.00 0.00 O ATOM 25 CB PRO A 3 5.795 12.680 -0.313 1.00 0.00 C ATOM 26 CG PRO A 3 4.693 11.643 -0.105 1.00 0.00 C ATOM 27 CD PRO A 3 3.934 11.690 -1.429 1.00 0.00 C ATOM 0 HA PRO A 3 6.542 13.424 -2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.651 12.496 0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.445 13.690 -0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.102 10.652 0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.052 11.897 0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.486 10.724 -1.662 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.123 12.417 -1.394 1.00 0.00 H new ATOM 35 N THR A 4 8.396 11.663 -1.353 1.00 0.00 N ATOM 36 CA THR A 4 9.496 10.725 -1.449 1.00 0.00 C ATOM 37 C THR A 4 9.552 9.861 -0.197 1.00 0.00 C ATOM 38 O THR A 4 9.781 10.367 0.899 1.00 0.00 O ATOM 39 CB THR A 4 10.802 11.491 -1.636 1.00 0.00 C ATOM 40 OG1 THR A 4 11.879 10.581 -1.679 1.00 0.00 O ATOM 41 CG2 THR A 4 10.998 12.455 -0.469 1.00 0.00 C ATOM 0 H THR A 4 8.595 12.489 -0.788 1.00 0.00 H new ATOM 0 HA THR A 4 9.346 10.072 -2.309 1.00 0.00 H new ATOM 0 HB THR A 4 10.763 12.053 -2.569 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.718 11.073 -1.801 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.931 13.003 -0.602 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.166 13.159 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.037 11.893 0.464 1.00 0.00 H new ATOM 49 N ALA A 5 9.342 8.553 -0.364 1.00 0.00 N ATOM 50 CA ALA A 5 9.368 7.627 0.750 1.00 0.00 C ATOM 51 C ALA A 5 10.235 6.425 0.401 1.00 0.00 C ATOM 52 O ALA A 5 10.404 6.100 -0.772 1.00 0.00 O ATOM 53 CB ALA A 5 7.944 7.189 1.080 1.00 0.00 C ATOM 0 H ALA A 5 9.152 8.119 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 5 9.795 8.117 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.963 6.492 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.348 8.061 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.503 6.700 0.211 1.00 0.00 H new ATOM 59 N THR A 6 10.785 5.766 1.423 1.00 0.00 N ATOM 60 CA THR A 6 11.628 4.606 1.214 1.00 0.00 C ATOM 61 C THR A 6 10.973 3.372 1.818 1.00 0.00 C ATOM 62 O THR A 6 10.766 3.305 3.027 1.00 0.00 O ATOM 63 CB THR A 6 12.996 4.854 1.844 1.00 0.00 C ATOM 64 OG1 THR A 6 12.841 5.616 3.020 1.00 0.00 O ATOM 65 CG2 THR A 6 13.880 5.613 0.859 1.00 0.00 C ATOM 0 H THR A 6 10.656 6.023 2.402 1.00 0.00 H new ATOM 0 HA THR A 6 11.758 4.435 0.145 1.00 0.00 H new ATOM 0 HB THR A 6 13.461 3.899 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.719 5.774 3.426 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.857 5.790 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.001 5.024 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.415 6.568 0.614 1.00 0.00 H new ATOM 73 N VAL A 7 10.646 2.394 0.970 1.00 0.00 N ATOM 74 CA VAL A 7 10.017 1.170 1.420 1.00 0.00 C ATOM 75 C VAL A 7 10.961 -0.004 1.202 1.00 0.00 C ATOM 76 O VAL A 7 11.691 -0.041 0.214 1.00 0.00 O ATOM 77 CB VAL A 7 8.709 0.961 0.662 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.078 -0.360 1.090 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.752 2.107 0.975 1.00 0.00 C ATOM 0 H VAL A 7 10.811 2.436 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 7 9.796 1.240 2.485 1.00 0.00 H new ATOM 0 HB VAL A 7 8.910 0.937 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.144 -0.509 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.762 -1.179 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.877 -0.337 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.817 1.959 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.551 2.131 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.202 3.051 0.669 1.00 0.00 H new ATOM 89 N THR A 8 10.945 -0.967 2.127 1.00 0.00 N ATOM 90 CA THR A 8 11.798 -2.133 2.026 1.00 0.00 C ATOM 91 C THR A 8 11.349 -3.006 0.863 1.00 0.00 C ATOM 92 O THR A 8 10.259 -2.817 0.326 1.00 0.00 O ATOM 93 CB THR A 8 11.748 -2.914 3.337 1.00 0.00 C ATOM 94 OG1 THR A 8 13.050 -3.325 3.688 1.00 0.00 O ATOM 95 CG2 THR A 8 10.856 -4.140 3.166 1.00 0.00 C ATOM 0 H THR A 8 10.346 -0.953 2.953 1.00 0.00 H new ATOM 0 HA THR A 8 12.825 -1.819 1.842 1.00 0.00 H new ATOM 0 HB THR A 8 11.343 -2.278 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.019 -3.825 4.530 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.820 -4.697 4.102 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.849 -3.822 2.894 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.260 -4.777 2.379 1.00 0.00 H new ATOM 103 N PRO A 9 12.193 -3.964 0.474 1.00 0.00 N ATOM 104 CA PRO A 9 11.936 -4.887 -0.610 1.00 0.00 C ATOM 105 C PRO A 9 10.878 -5.894 -0.183 1.00 0.00 C ATOM 106 O PRO A 9 11.085 -6.651 0.764 1.00 0.00 O ATOM 107 CB PRO A 9 13.275 -5.575 -0.865 1.00 0.00 C ATOM 108 CG PRO A 9 13.932 -5.557 0.514 1.00 0.00 C ATOM 109 CD PRO A 9 13.482 -4.213 1.083 1.00 0.00 C ATOM 0 HA PRO A 9 11.562 -4.394 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.143 -6.591 -1.237 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.871 -5.039 -1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.599 -6.390 1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.018 -5.625 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.405 -4.250 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.193 -3.423 0.840 1.00 0.00 H new ATOM 117 N SER A 10 9.741 -5.902 -0.882 1.00 0.00 N ATOM 118 CA SER A 10 8.659 -6.814 -0.571 1.00 0.00 C ATOM 119 C SER A 10 8.263 -7.591 -1.818 1.00 0.00 C ATOM 120 O SER A 10 7.255 -8.294 -1.821 1.00 0.00 O ATOM 121 CB SER A 10 7.471 -6.026 -0.025 1.00 0.00 C ATOM 122 OG SER A 10 7.728 -4.645 -0.146 1.00 0.00 O ATOM 0 H SER A 10 9.554 -5.281 -1.669 1.00 0.00 H new ATOM 0 HA SER A 10 8.986 -7.526 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.565 -6.288 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.299 -6.285 1.020 1.00 0.00 H new ATOM 0 HG SER A 10 6.965 -4.138 0.203 1.00 0.00 H new ATOM 128 N SER A 11 9.062 -7.464 -2.880 1.00 0.00 N ATOM 129 CA SER A 11 8.792 -8.156 -4.125 1.00 0.00 C ATOM 130 C SER A 11 9.442 -9.532 -4.102 1.00 0.00 C ATOM 131 O SER A 11 10.660 -9.648 -4.216 1.00 0.00 O ATOM 132 CB SER A 11 9.322 -7.327 -5.291 1.00 0.00 C ATOM 133 OG SER A 11 10.726 -7.443 -5.350 1.00 0.00 O ATOM 0 H SER A 11 9.901 -6.885 -2.894 1.00 0.00 H new ATOM 0 HA SER A 11 7.717 -8.286 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.878 -7.669 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.038 -6.282 -5.167 1.00 0.00 H new ATOM 0 HG SER A 11 11.042 -7.982 -4.595 1.00 0.00 H new ATOM 139 N GLY A 12 8.625 -10.578 -3.956 1.00 0.00 N ATOM 140 CA GLY A 12 9.127 -11.937 -3.922 1.00 0.00 C ATOM 141 C GLY A 12 9.172 -12.446 -2.488 1.00 0.00 C ATOM 142 O GLY A 12 9.856 -13.424 -2.194 1.00 0.00 O ATOM 0 H GLY A 12 7.612 -10.500 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.489 -12.583 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.124 -11.975 -4.360 1.00 0.00 H new ATOM 146 N LEU A 13 8.439 -11.779 -1.593 1.00 0.00 N ATOM 147 CA LEU A 13 8.398 -12.165 -0.197 1.00 0.00 C ATOM 148 C LEU A 13 7.046 -12.784 0.128 1.00 0.00 C ATOM 149 O LEU A 13 6.007 -12.241 -0.241 1.00 0.00 O ATOM 150 CB LEU A 13 8.656 -10.941 0.677 1.00 0.00 C ATOM 151 CG LEU A 13 9.623 -10.002 -0.038 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.342 -9.133 0.990 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.647 -10.822 -0.817 1.00 0.00 C ATOM 0 H LEU A 13 7.866 -10.966 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 13 9.172 -12.906 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.719 -10.425 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.072 -11.247 1.637 1.00 0.00 H new ATOM 0 HG LEU A 13 9.068 -9.365 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.033 -8.462 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.611 -8.546 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.897 -9.769 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.338 -10.151 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.202 -11.459 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.134 -11.442 -1.552 1.00 0.00 H new ATOM 165 N SER A 14 7.061 -13.924 0.822 1.00 0.00 N ATOM 166 CA SER A 14 5.838 -14.608 1.194 1.00 0.00 C ATOM 167 C SER A 14 5.328 -14.069 2.523 1.00 0.00 C ATOM 168 O SER A 14 5.991 -13.255 3.161 1.00 0.00 O ATOM 169 CB SER A 14 6.103 -16.108 1.285 1.00 0.00 C ATOM 170 OG SER A 14 7.027 -16.483 0.288 1.00 0.00 O ATOM 0 H SER A 14 7.914 -14.388 1.135 1.00 0.00 H new ATOM 0 HA SER A 14 5.074 -14.432 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.493 -16.360 2.271 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.172 -16.661 1.160 1.00 0.00 H new ATOM 0 HG SER A 14 7.199 -17.446 0.347 1.00 0.00 H new ATOM 176 N ASP A 15 4.145 -14.527 2.939 1.00 0.00 N ATOM 177 CA ASP A 15 3.553 -14.089 4.187 1.00 0.00 C ATOM 178 C ASP A 15 4.596 -14.133 5.295 1.00 0.00 C ATOM 179 O ASP A 15 5.543 -14.913 5.228 1.00 0.00 O ATOM 180 CB ASP A 15 2.365 -14.985 4.527 1.00 0.00 C ATOM 181 CG ASP A 15 1.773 -14.614 5.879 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.322 -13.454 6.003 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.784 -15.496 6.765 1.00 0.00 O ATOM 0 H ASP A 15 3.583 -15.203 2.422 1.00 0.00 H new ATOM 0 HA ASP A 15 3.200 -13.062 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.602 -14.893 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.683 -16.028 4.539 1.00 0.00 H new ATOM 188 N GLY A 16 4.421 -13.292 6.317 1.00 0.00 N ATOM 189 CA GLY A 16 5.349 -13.243 7.429 1.00 0.00 C ATOM 190 C GLY A 16 6.390 -12.156 7.200 1.00 0.00 C ATOM 191 O GLY A 16 6.997 -11.665 8.149 1.00 0.00 O ATOM 0 H GLY A 16 3.641 -12.638 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.808 -13.049 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.841 -14.209 7.544 1.00 0.00 H new ATOM 195 N THR A 17 6.596 -11.782 5.936 1.00 0.00 N ATOM 196 CA THR A 17 7.561 -10.757 5.593 1.00 0.00 C ATOM 197 C THR A 17 7.043 -9.392 6.023 1.00 0.00 C ATOM 198 O THR A 17 5.838 -9.152 6.017 1.00 0.00 O ATOM 199 CB THR A 17 7.822 -10.787 4.090 1.00 0.00 C ATOM 200 OG1 THR A 17 8.549 -11.950 3.762 1.00 0.00 O ATOM 201 CG2 THR A 17 8.626 -9.554 3.687 1.00 0.00 C ATOM 0 H THR A 17 6.102 -12.180 5.137 1.00 0.00 H new ATOM 0 HA THR A 17 8.498 -10.948 6.116 1.00 0.00 H new ATOM 0 HB THR A 17 6.871 -10.790 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.928 -12.658 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.812 -9.576 2.613 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.064 -8.655 3.940 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.577 -9.549 4.220 1.00 0.00 H new ATOM 209 N VAL A 18 7.959 -8.496 6.397 1.00 0.00 N ATOM 210 CA VAL A 18 7.593 -7.162 6.827 1.00 0.00 C ATOM 211 C VAL A 18 8.215 -6.132 5.895 1.00 0.00 C ATOM 212 O VAL A 18 9.414 -6.177 5.628 1.00 0.00 O ATOM 213 CB VAL A 18 8.062 -6.945 8.263 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.566 -7.187 8.350 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.752 -5.512 8.688 1.00 0.00 C ATOM 0 H VAL A 18 8.962 -8.680 6.408 1.00 0.00 H new ATOM 0 HA VAL A 18 6.510 -7.048 6.792 1.00 0.00 H new ATOM 0 HB VAL A 18 7.544 -7.641 8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.901 -7.032 9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.788 -8.210 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.085 -6.492 7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.087 -5.356 9.714 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.270 -4.817 8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.678 -5.339 8.627 1.00 0.00 H new ATOM 225 N VAL A 19 7.396 -5.200 5.401 1.00 0.00 N ATOM 226 CA VAL A 19 7.868 -4.165 4.504 1.00 0.00 C ATOM 227 C VAL A 19 7.978 -2.845 5.253 1.00 0.00 C ATOM 228 O VAL A 19 7.236 -2.604 6.202 1.00 0.00 O ATOM 229 CB VAL A 19 6.908 -4.039 3.324 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.221 -5.380 3.082 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.857 -2.978 3.636 1.00 0.00 C ATOM 0 H VAL A 19 6.400 -5.149 5.614 1.00 0.00 H new ATOM 0 HA VAL A 19 8.856 -4.429 4.125 1.00 0.00 H new ATOM 0 HB VAL A 19 7.464 -3.749 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.535 -5.291 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.972 -6.139 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.665 -5.670 3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.171 -2.887 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.301 -3.268 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.347 -2.020 3.810 1.00 0.00 H new ATOM 241 N LYS A 20 8.909 -1.988 4.824 1.00 0.00 N ATOM 242 CA LYS A 20 9.109 -0.700 5.457 1.00 0.00 C ATOM 243 C LYS A 20 8.557 0.405 4.567 1.00 0.00 C ATOM 244 O LYS A 20 8.584 0.292 3.344 1.00 0.00 O ATOM 245 CB LYS A 20 10.597 -0.489 5.719 1.00 0.00 C ATOM 246 CG LYS A 20 10.780 0.256 7.038 1.00 0.00 C ATOM 247 CD LYS A 20 10.608 1.754 6.805 1.00 0.00 C ATOM 248 CE LYS A 20 11.702 2.514 7.551 1.00 0.00 C ATOM 249 NZ LYS A 20 11.223 2.975 8.863 1.00 0.00 N ATOM 0 H LYS A 20 9.533 -2.172 4.038 1.00 0.00 H new ATOM 0 HA LYS A 20 8.577 -0.672 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.110 -1.450 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.044 0.079 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.052 -0.095 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.769 0.052 7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.659 1.975 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.626 2.076 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.572 1.870 7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.026 3.369 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.985 3.489 9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.408 3.607 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.937 2.155 9.436 1.00 0.00 H new ATOM 263 N VAL A 21 8.056 1.477 5.186 1.00 0.00 N ATOM 264 CA VAL A 21 7.501 2.595 4.450 1.00 0.00 C ATOM 265 C VAL A 21 7.854 3.898 5.152 1.00 0.00 C ATOM 266 O VAL A 21 7.319 4.196 6.218 1.00 0.00 O ATOM 267 CB VAL A 21 5.988 2.431 4.342 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.310 3.207 5.467 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.514 2.969 2.995 1.00 0.00 C ATOM 0 H VAL A 21 8.027 1.586 6.200 1.00 0.00 H new ATOM 0 HA VAL A 21 7.922 2.620 3.445 1.00 0.00 H new ATOM 0 HB VAL A 21 5.730 1.375 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.229 3.090 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.649 2.823 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.567 4.263 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.433 2.852 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.772 4.025 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.998 2.414 2.191 1.00 0.00 H new ATOM 279 N ALA A 22 8.756 4.677 4.551 1.00 0.00 N ATOM 280 CA ALA A 22 9.175 5.942 5.120 1.00 0.00 C ATOM 281 C ALA A 22 8.933 7.063 4.120 1.00 0.00 C ATOM 282 O ALA A 22 9.555 7.097 3.060 1.00 0.00 O ATOM 283 CB ALA A 22 10.651 5.864 5.499 1.00 0.00 C ATOM 0 H ALA A 22 9.207 4.445 3.666 1.00 0.00 H new ATOM 0 HA ALA A 22 8.594 6.152 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.967 6.815 5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.797 5.070 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.244 5.651 4.610 1.00 0.00 H new ATOM 289 N GLY A 23 8.026 7.983 4.457 1.00 0.00 N ATOM 290 CA GLY A 23 7.711 9.096 3.584 1.00 0.00 C ATOM 291 C GLY A 23 8.694 10.236 3.808 1.00 0.00 C ATOM 292 O GLY A 23 9.113 10.486 4.936 1.00 0.00 O ATOM 0 H GLY A 23 7.501 7.971 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.749 8.773 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.694 9.440 3.774 1.00 0.00 H new ATOM 296 N ALA A 24 9.062 10.929 2.727 1.00 0.00 N ATOM 297 CA ALA A 24 9.993 12.036 2.809 1.00 0.00 C ATOM 298 C ALA A 24 9.531 13.167 1.901 1.00 0.00 C ATOM 299 O ALA A 24 9.589 13.047 0.679 1.00 0.00 O ATOM 300 CB ALA A 24 11.386 11.558 2.412 1.00 0.00 C ATOM 0 H ALA A 24 8.723 10.735 1.785 1.00 0.00 H new ATOM 0 HA ALA A 24 10.030 12.411 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.087 12.390 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.705 10.764 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.363 11.178 1.391 1.00 0.00 H new ATOM 306 N GLY A 25 9.070 14.267 2.500 1.00 0.00 N ATOM 307 CA GLY A 25 8.601 15.408 1.739 1.00 0.00 C ATOM 308 C GLY A 25 7.080 15.420 1.688 1.00 0.00 C ATOM 309 O GLY A 25 6.491 15.993 0.774 1.00 0.00 O ATOM 0 H GLY A 25 9.015 14.384 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.964 16.330 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.005 15.370 0.727 1.00 0.00 H new ATOM 313 N LEU A 26 6.444 14.782 2.674 1.00 0.00 N ATOM 314 CA LEU A 26 4.997 14.722 2.737 1.00 0.00 C ATOM 315 C LEU A 26 4.462 15.927 3.497 1.00 0.00 C ATOM 316 O LEU A 26 5.205 16.864 3.781 1.00 0.00 O ATOM 317 CB LEU A 26 4.572 13.423 3.415 1.00 0.00 C ATOM 318 CG LEU A 26 5.557 12.314 3.053 1.00 0.00 C ATOM 319 CD1 LEU A 26 4.806 10.994 2.908 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.245 12.656 1.735 1.00 0.00 C ATOM 0 H LEU A 26 6.918 14.301 3.438 1.00 0.00 H new ATOM 0 HA LEU A 26 4.585 14.742 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.541 13.558 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.566 13.148 3.099 1.00 0.00 H new ATOM 0 HG LEU A 26 6.305 12.221 3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.509 10.202 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.314 10.750 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.057 11.086 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.948 11.865 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.497 12.749 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.782 13.599 1.839 1.00 0.00 H new ATOM 332 N GLN A 27 3.169 15.900 3.827 1.00 0.00 N ATOM 333 CA GLN A 27 2.543 16.988 4.551 1.00 0.00 C ATOM 334 C GLN A 27 2.840 16.858 6.039 1.00 0.00 C ATOM 335 O GLN A 27 2.571 15.820 6.639 1.00 0.00 O ATOM 336 CB GLN A 27 1.038 16.967 4.296 1.00 0.00 C ATOM 337 CG GLN A 27 0.750 17.521 2.904 1.00 0.00 C ATOM 338 CD GLN A 27 0.426 16.398 1.929 1.00 0.00 C ATOM 339 OE1 GLN A 27 1.154 16.184 0.963 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.671 15.682 2.185 1.00 0.00 N ATOM 0 H GLN A 27 2.540 15.130 3.599 1.00 0.00 H new ATOM 0 HA GLN A 27 2.945 17.940 4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.658 15.949 4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.522 17.562 5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.086 18.219 2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.613 18.082 2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.243 15.899 3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.937 14.917 1.565 1.00 0.00 H new ATOM 349 N ALA A 28 3.396 17.916 6.633 1.00 0.00 N ATOM 350 CA ALA A 28 3.726 17.915 8.044 1.00 0.00 C ATOM 351 C ALA A 28 2.450 17.947 8.872 1.00 0.00 C ATOM 352 O ALA A 28 1.564 18.761 8.620 1.00 0.00 O ATOM 353 CB ALA A 28 4.607 19.120 8.360 1.00 0.00 C ATOM 0 H ALA A 28 3.625 18.784 6.149 1.00 0.00 H new ATOM 0 HA ALA A 28 4.274 17.006 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.856 19.120 9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.523 19.065 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.072 20.037 8.113 1.00 0.00 H new ATOM 359 N GLY A 29 2.355 17.057 9.863 1.00 0.00 N ATOM 360 CA GLY A 29 1.187 16.992 10.718 1.00 0.00 C ATOM 361 C GLY A 29 0.018 16.370 9.968 1.00 0.00 C ATOM 362 O GLY A 29 -1.107 16.360 10.464 1.00 0.00 O ATOM 0 H GLY A 29 3.079 16.374 10.086 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.411 16.404 11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.920 17.993 11.057 1.00 0.00 H new ATOM 366 N THR A 30 0.285 15.850 8.768 1.00 0.00 N ATOM 367 CA THR A 30 -0.746 15.230 7.960 1.00 0.00 C ATOM 368 C THR A 30 -0.724 13.722 8.159 1.00 0.00 C ATOM 369 O THR A 30 0.335 13.100 8.102 1.00 0.00 O ATOM 370 CB THR A 30 -0.522 15.585 6.493 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.490 16.526 6.084 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.647 14.325 5.640 1.00 0.00 C ATOM 0 H THR A 30 1.211 15.850 8.341 1.00 0.00 H new ATOM 0 HA THR A 30 -1.724 15.601 8.266 1.00 0.00 H new ATOM 0 HB THR A 30 0.474 16.011 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.560 16.520 5.107 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.487 14.578 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.100 13.596 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.643 13.900 5.763 1.00 0.00 H new ATOM 380 N ALA A 31 -1.899 13.133 8.394 1.00 0.00 N ATOM 381 CA ALA A 31 -2.010 11.703 8.601 1.00 0.00 C ATOM 382 C ALA A 31 -2.143 10.997 7.260 1.00 0.00 C ATOM 383 O ALA A 31 -2.667 11.567 6.305 1.00 0.00 O ATOM 384 CB ALA A 31 -3.217 11.411 9.488 1.00 0.00 C ATOM 0 H ALA A 31 -2.786 13.635 8.444 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.113 11.332 9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.302 10.336 9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.091 11.909 10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.122 11.780 9.004 1.00 0.00 H new ATOM 390 N TYR A 32 -1.666 9.752 7.188 1.00 0.00 N ATOM 391 CA TYR A 32 -1.733 8.978 5.965 1.00 0.00 C ATOM 392 C TYR A 32 -2.205 7.564 6.274 1.00 0.00 C ATOM 393 O TYR A 32 -1.827 6.990 7.292 1.00 0.00 O ATOM 394 CB TYR A 32 -0.359 8.957 5.302 1.00 0.00 C ATOM 395 CG TYR A 32 0.003 10.257 4.624 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.676 10.656 3.467 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.018 11.063 5.153 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.341 11.861 2.839 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.353 12.269 4.525 1.00 0.00 C ATOM 400 CZ TYR A 32 0.674 12.668 3.367 1.00 0.00 C ATOM 401 OH TYR A 32 1.000 13.842 2.755 1.00 0.00 O ATOM 0 H TYR A 32 -1.229 9.265 7.970 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.446 9.435 5.279 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.395 8.727 6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.332 8.153 4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.459 10.034 3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.543 10.755 6.045 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.866 12.169 1.947 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.135 12.892 4.934 1.00 0.00 H new ATOM 0 HH TYR A 32 1.701 13.680 2.090 1.00 0.00 H new ATOM 411 N ASP A 33 -3.033 7.003 5.390 1.00 0.00 N ATOM 412 CA ASP A 33 -3.552 5.663 5.572 1.00 0.00 C ATOM 413 C ASP A 33 -2.768 4.686 4.707 1.00 0.00 C ATOM 414 O ASP A 33 -2.829 4.752 3.482 1.00 0.00 O ATOM 415 CB ASP A 33 -5.034 5.638 5.209 1.00 0.00 C ATOM 416 CG ASP A 33 -5.900 5.783 6.452 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.412 6.415 7.414 1.00 0.00 O ATOM 418 OD2 ASP A 33 -7.035 5.259 6.417 1.00 0.00 O ATOM 0 H ASP A 33 -3.354 7.466 4.540 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.443 5.364 6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.255 6.445 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.273 4.703 4.702 1.00 0.00 H new ATOM 423 N VAL A 34 -2.031 3.776 5.349 1.00 0.00 N ATOM 424 CA VAL A 34 -1.240 2.792 4.638 1.00 0.00 C ATOM 425 C VAL A 34 -1.966 1.454 4.634 1.00 0.00 C ATOM 426 O VAL A 34 -2.732 1.158 5.549 1.00 0.00 O ATOM 427 CB VAL A 34 0.128 2.664 5.301 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.210 2.595 4.227 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.375 3.875 6.195 1.00 0.00 C ATOM 0 H VAL A 34 -1.972 3.708 6.365 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.099 3.110 3.605 1.00 0.00 H new ATOM 0 HB VAL A 34 0.156 1.756 5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.187 2.504 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.034 1.730 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.183 3.503 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.352 3.784 6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.347 4.783 5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.397 3.924 6.963 1.00 0.00 H new ATOM 439 N GLY A 35 -1.724 0.643 3.602 1.00 0.00 N ATOM 440 CA GLY A 35 -2.356 -0.656 3.490 1.00 0.00 C ATOM 441 C GLY A 35 -1.821 -1.400 2.274 1.00 0.00 C ATOM 442 O GLY A 35 -1.073 -0.838 1.478 1.00 0.00 O ATOM 0 H GLY A 35 -1.092 0.871 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.169 -1.238 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.436 -0.537 3.406 1.00 0.00 H new ATOM 446 N GLN A 36 -2.207 -2.671 2.133 1.00 0.00 N ATOM 447 CA GLN A 36 -1.765 -3.484 1.019 1.00 0.00 C ATOM 448 C GLN A 36 -2.920 -3.712 0.054 1.00 0.00 C ATOM 449 O GLN A 36 -3.839 -4.472 0.351 1.00 0.00 O ATOM 450 CB GLN A 36 -1.228 -4.813 1.543 1.00 0.00 C ATOM 451 CG GLN A 36 -1.058 -5.788 0.381 1.00 0.00 C ATOM 452 CD GLN A 36 -0.518 -7.125 0.869 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.089 -7.736 1.769 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.588 -7.577 0.272 1.00 0.00 N ATOM 0 H GLN A 36 -2.827 -3.152 2.784 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.967 -2.970 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.273 -4.659 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.913 -5.228 2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.016 -5.938 -0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.378 -5.364 -0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.025 -7.032 -0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.995 -8.467 0.559 1.00 0.00 H new ATOM 463 N CYS A 37 -2.872 -3.050 -1.104 1.00 0.00 N ATOM 464 CA CYS A 37 -3.911 -3.183 -2.105 1.00 0.00 C ATOM 465 C CYS A 37 -3.397 -4.011 -3.274 1.00 0.00 C ATOM 466 O CYS A 37 -2.235 -3.895 -3.656 1.00 0.00 O ATOM 467 CB CYS A 37 -4.344 -1.797 -2.574 1.00 0.00 C ATOM 468 SG CYS A 37 -4.892 -0.706 -1.238 1.00 0.00 S ATOM 0 H CYS A 37 -2.117 -2.415 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.773 -3.693 -1.675 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.512 -1.325 -3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.153 -1.905 -3.296 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.984 -0.097 -1.595 1.00 0.00 H new ATOM 473 N ALA A 38 -4.267 -4.850 -3.841 1.00 0.00 N ATOM 474 CA ALA A 38 -3.897 -5.694 -4.960 1.00 0.00 C ATOM 475 C ALA A 38 -4.816 -5.415 -6.141 1.00 0.00 C ATOM 476 O ALA A 38 -6.024 -5.273 -5.970 1.00 0.00 O ATOM 477 CB ALA A 38 -3.982 -7.159 -4.542 1.00 0.00 C ATOM 0 H ALA A 38 -5.234 -4.957 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.873 -5.476 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.704 -7.794 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.301 -7.340 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.001 -7.391 -4.234 1.00 0.00 H new ATOM 483 N TRP A 39 -4.240 -5.336 -7.343 1.00 0.00 N ATOM 484 CA TRP A 39 -5.013 -5.077 -8.541 1.00 0.00 C ATOM 485 C TRP A 39 -5.976 -6.228 -8.796 1.00 0.00 C ATOM 486 O TRP A 39 -5.560 -7.381 -8.885 1.00 0.00 O ATOM 487 CB TRP A 39 -4.068 -4.891 -9.725 1.00 0.00 C ATOM 488 CG TRP A 39 -4.615 -5.334 -11.043 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.914 -5.276 -11.409 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.905 -5.905 -12.185 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.056 -5.768 -12.689 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.846 -6.172 -13.216 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.563 -6.225 -12.454 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.478 -6.725 -14.445 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.182 -6.781 -13.685 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.134 -7.031 -14.680 1.00 0.00 C ATOM 0 H TRP A 39 -3.239 -5.449 -7.503 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.596 -4.165 -8.410 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.800 -3.837 -9.795 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.148 -5.441 -9.527 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.718 -4.902 -10.793 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.945 -5.826 -13.185 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.812 -6.040 -11.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.222 -6.914 -15.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.144 -7.018 -13.866 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.832 -7.458 -15.625 1.00 0.00 H new ATOM 507 N VAL A 40 -7.268 -5.911 -8.914 1.00 0.00 N ATOM 508 CA VAL A 40 -8.283 -6.916 -9.157 1.00 0.00 C ATOM 509 C VAL A 40 -8.744 -6.841 -10.606 1.00 0.00 C ATOM 510 O VAL A 40 -8.844 -7.864 -11.281 1.00 0.00 O ATOM 511 CB VAL A 40 -9.454 -6.696 -8.205 1.00 0.00 C ATOM 512 CG1 VAL A 40 -10.752 -6.612 -9.004 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.537 -7.861 -7.223 1.00 0.00 C ATOM 0 H VAL A 40 -7.628 -4.959 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.869 -7.908 -8.978 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.305 -5.767 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.589 -6.455 -8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.694 -5.780 -9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.901 -7.541 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.374 -7.704 -6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.686 -8.790 -7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.611 -7.922 -6.651 1.00 0.00 H new ATOM 523 N ASP A 41 -9.023 -5.627 -11.084 1.00 0.00 N ATOM 524 CA ASP A 41 -9.472 -5.426 -12.447 1.00 0.00 C ATOM 525 C ASP A 41 -8.739 -4.242 -13.061 1.00 0.00 C ATOM 526 O ASP A 41 -8.090 -3.477 -12.353 1.00 0.00 O ATOM 527 CB ASP A 41 -10.980 -5.193 -12.457 1.00 0.00 C ATOM 528 CG ASP A 41 -11.679 -6.194 -13.365 1.00 0.00 C ATOM 529 OD1 ASP A 41 -10.953 -6.892 -14.106 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.927 -6.243 -13.301 1.00 0.00 O ATOM 0 H ASP A 41 -8.943 -4.769 -10.538 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.252 -6.313 -13.041 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.372 -5.280 -11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.193 -4.179 -12.795 1.00 0.00 H new ATOM 535 N THR A 42 -8.843 -4.093 -14.384 1.00 0.00 N ATOM 536 CA THR A 42 -8.190 -3.003 -15.080 1.00 0.00 C ATOM 537 C THR A 42 -8.529 -1.680 -14.409 1.00 0.00 C ATOM 538 O THR A 42 -9.675 -1.237 -14.448 1.00 0.00 O ATOM 539 CB THR A 42 -8.632 -2.997 -16.541 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.301 -1.757 -17.126 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.141 -3.208 -16.617 1.00 0.00 C ATOM 0 H THR A 42 -9.376 -4.719 -14.987 1.00 0.00 H new ATOM 0 HA THR A 42 -7.109 -3.139 -15.040 1.00 0.00 H new ATOM 0 HB THR A 42 -8.126 -3.800 -17.077 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.583 -1.752 -18.065 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.457 -3.204 -17.660 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.398 -4.166 -16.164 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.648 -2.406 -16.081 1.00 0.00 H new ATOM 549 N GLY A 43 -7.529 -1.049 -13.790 1.00 0.00 N ATOM 550 CA GLY A 43 -7.730 0.218 -13.115 1.00 0.00 C ATOM 551 C GLY A 43 -8.534 0.013 -11.839 1.00 0.00 C ATOM 552 O GLY A 43 -8.939 0.979 -11.195 1.00 0.00 O ATOM 0 H GLY A 43 -6.573 -1.402 -13.747 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.766 0.669 -12.878 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.252 0.911 -13.775 1.00 0.00 H new ATOM 556 N VAL A 44 -8.766 -1.250 -11.474 1.00 0.00 N ATOM 557 CA VAL A 44 -9.519 -1.576 -10.280 1.00 0.00 C ATOM 558 C VAL A 44 -8.672 -2.441 -9.357 1.00 0.00 C ATOM 559 O VAL A 44 -8.289 -3.551 -9.723 1.00 0.00 O ATOM 560 CB VAL A 44 -10.804 -2.299 -10.671 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.846 -2.116 -9.571 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.336 -1.718 -11.978 1.00 0.00 C ATOM 0 H VAL A 44 -8.437 -2.062 -11.997 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.781 -0.661 -9.749 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.598 -3.361 -10.802 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.764 -2.633 -9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.466 -2.531 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.053 -1.054 -9.439 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.254 -2.234 -12.258 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.542 -0.656 -11.847 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.592 -1.849 -12.764 1.00 0.00 H new ATOM 572 N LEU A 45 -8.381 -1.932 -8.158 1.00 0.00 N ATOM 573 CA LEU A 45 -7.583 -2.659 -7.191 1.00 0.00 C ATOM 574 C LEU A 45 -8.318 -2.725 -5.860 1.00 0.00 C ATOM 575 O LEU A 45 -8.882 -1.731 -5.410 1.00 0.00 O ATOM 576 CB LEU A 45 -6.231 -1.971 -7.028 1.00 0.00 C ATOM 577 CG LEU A 45 -6.300 -0.982 -5.868 1.00 0.00 C ATOM 578 CD1 LEU A 45 -4.897 -0.743 -5.317 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.885 0.339 -6.360 1.00 0.00 C ATOM 0 H LEU A 45 -8.692 -1.014 -7.840 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.418 -3.677 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.454 -2.712 -6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.962 -1.451 -7.948 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.934 -1.390 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.947 -0.036 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.479 -1.686 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.262 -0.336 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.935 1.046 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.251 0.747 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.888 0.169 -6.753 1.00 0.00 H new ATOM 591 N ALA A 46 -8.310 -3.903 -5.231 1.00 0.00 N ATOM 592 CA ALA A 46 -8.975 -4.093 -3.957 1.00 0.00 C ATOM 593 C ALA A 46 -7.994 -3.844 -2.821 1.00 0.00 C ATOM 594 O ALA A 46 -6.791 -4.042 -2.982 1.00 0.00 O ATOM 595 CB ALA A 46 -9.538 -5.509 -3.886 1.00 0.00 C ATOM 0 H ALA A 46 -7.846 -4.737 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.797 -3.384 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.039 -5.654 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.253 -5.657 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.725 -6.229 -3.983 1.00 0.00 H new ATOM 601 N CYS A 47 -8.509 -3.409 -1.669 1.00 0.00 N ATOM 602 CA CYS A 47 -7.679 -3.135 -0.514 1.00 0.00 C ATOM 603 C CYS A 47 -7.949 -4.169 0.571 1.00 0.00 C ATOM 604 O CYS A 47 -9.072 -4.647 0.709 1.00 0.00 O ATOM 605 CB CYS A 47 -7.968 -1.727 -0.002 1.00 0.00 C ATOM 606 SG CYS A 47 -7.276 -0.412 -1.037 1.00 0.00 S ATOM 0 H CYS A 47 -9.504 -3.241 -1.520 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.627 -3.196 -0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.047 -1.591 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.569 -1.629 1.007 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.088 -0.104 -0.610 1.00 0.00 H new ATOM 611 N ASN A 48 -6.914 -4.514 1.341 1.00 0.00 N ATOM 612 CA ASN A 48 -7.047 -5.487 2.406 1.00 0.00 C ATOM 613 C ASN A 48 -6.768 -4.827 3.749 1.00 0.00 C ATOM 614 O ASN A 48 -5.652 -4.382 4.005 1.00 0.00 O ATOM 615 CB ASN A 48 -6.081 -6.642 2.161 1.00 0.00 C ATOM 616 CG ASN A 48 -4.733 -6.371 2.811 1.00 0.00 C ATOM 617 OD1 ASN A 48 -4.060 -5.401 2.468 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.339 -7.230 3.754 1.00 0.00 N ATOM 0 H ASN A 48 -5.976 -4.128 1.239 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.065 -5.877 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.503 -7.565 2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.949 -6.790 1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.444 -7.096 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.933 -8.021 4.004 1.00 0.00 H new ATOM 625 N PRO A 49 -7.788 -4.766 4.609 1.00 0.00 N ATOM 626 CA PRO A 49 -7.708 -4.179 5.929 1.00 0.00 C ATOM 627 C PRO A 49 -6.899 -5.088 6.844 1.00 0.00 C ATOM 628 O PRO A 49 -6.699 -4.774 8.015 1.00 0.00 O ATOM 629 CB PRO A 49 -9.157 -4.078 6.400 1.00 0.00 C ATOM 630 CG PRO A 49 -9.827 -5.254 5.690 1.00 0.00 C ATOM 631 CD PRO A 49 -9.114 -5.280 4.341 1.00 0.00 C ATOM 0 HA PRO A 49 -7.217 -3.206 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.237 -4.161 7.484 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.608 -3.126 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.693 -6.187 6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.900 -5.101 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.071 -6.291 3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.635 -4.665 3.607 1.00 0.00 H new ATOM 639 N ALA A 50 -6.435 -6.218 6.306 1.00 0.00 N ATOM 640 CA ALA A 50 -5.654 -7.166 7.075 1.00 0.00 C ATOM 641 C ALA A 50 -4.236 -6.642 7.252 1.00 0.00 C ATOM 642 O ALA A 50 -3.554 -7.004 8.208 1.00 0.00 O ATOM 643 CB ALA A 50 -5.647 -8.515 6.362 1.00 0.00 C ATOM 0 H ALA A 50 -6.592 -6.492 5.336 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.099 -7.294 8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.060 -9.229 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.669 -8.881 6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.207 -8.401 5.371 1.00 0.00 H new ATOM 649 N ASP A 51 -3.793 -5.788 6.327 1.00 0.00 N ATOM 650 CA ASP A 51 -2.461 -5.221 6.385 1.00 0.00 C ATOM 651 C ASP A 51 -2.546 -3.702 6.353 1.00 0.00 C ATOM 652 O ASP A 51 -1.620 -3.036 5.895 1.00 0.00 O ATOM 653 CB ASP A 51 -1.636 -5.742 5.212 1.00 0.00 C ATOM 654 CG ASP A 51 -1.390 -7.238 5.342 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.653 -7.763 6.445 1.00 0.00 O ATOM 656 OD2 ASP A 51 -0.943 -7.829 4.335 1.00 0.00 O ATOM 0 H ASP A 51 -4.347 -5.478 5.528 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.975 -5.518 7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.156 -5.535 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.683 -5.215 5.170 1.00 0.00 H new ATOM 661 N PHE A 52 -3.661 -3.153 6.842 1.00 0.00 N ATOM 662 CA PHE A 52 -3.857 -1.718 6.866 1.00 0.00 C ATOM 663 C PHE A 52 -3.183 -1.124 8.094 1.00 0.00 C ATOM 664 O PHE A 52 -3.553 -1.442 9.222 1.00 0.00 O ATOM 665 CB PHE A 52 -5.352 -1.411 6.867 1.00 0.00 C ATOM 666 CG PHE A 52 -5.835 -0.774 8.148 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.238 0.404 8.613 1.00 0.00 C ATOM 668 CD2 PHE A 52 -6.879 -1.362 8.872 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.684 0.993 9.802 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.326 -0.772 10.061 1.00 0.00 C ATOM 671 CZ PHE A 52 -6.728 0.405 10.526 1.00 0.00 C ATOM 0 H PHE A 52 -4.439 -3.690 7.226 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.407 -1.271 5.979 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.579 -0.748 6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.905 -2.335 6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.433 0.858 8.054 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.340 -2.271 8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.223 1.901 10.161 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.132 -1.225 10.619 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.072 0.860 11.443 1.00 0.00 H new ATOM 681 N SER A 53 -2.190 -0.259 7.873 1.00 0.00 N ATOM 682 CA SER A 53 -1.473 0.373 8.961 1.00 0.00 C ATOM 683 C SER A 53 -1.806 1.858 9.006 1.00 0.00 C ATOM 684 O SER A 53 -2.607 2.341 8.209 1.00 0.00 O ATOM 685 CB SER A 53 0.027 0.161 8.772 1.00 0.00 C ATOM 686 OG SER A 53 0.264 -1.167 8.361 1.00 0.00 O ATOM 0 H SER A 53 -1.870 0.014 6.944 1.00 0.00 H new ATOM 0 HA SER A 53 -1.774 -0.075 9.908 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.413 0.858 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.555 0.365 9.704 1.00 0.00 H new ATOM 0 HG SER A 53 1.226 -1.352 8.391 1.00 0.00 H new ATOM 692 N SER A 54 -1.187 2.582 9.941 1.00 0.00 N ATOM 693 CA SER A 54 -1.419 4.006 10.082 1.00 0.00 C ATOM 694 C SER A 54 -0.130 4.700 10.501 1.00 0.00 C ATOM 695 O SER A 54 0.746 4.080 11.098 1.00 0.00 O ATOM 696 CB SER A 54 -2.519 4.241 11.113 1.00 0.00 C ATOM 697 OG SER A 54 -2.128 3.692 12.351 1.00 0.00 O ATOM 0 H SER A 54 -0.521 2.196 10.610 1.00 0.00 H new ATOM 0 HA SER A 54 -1.739 4.423 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.709 5.309 11.221 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.450 3.784 10.778 1.00 0.00 H new ATOM 0 HG SER A 54 -2.834 3.844 13.014 1.00 0.00 H new ATOM 703 N VAL A 55 -0.018 5.993 10.186 1.00 0.00 N ATOM 704 CA VAL A 55 1.159 6.765 10.530 1.00 0.00 C ATOM 705 C VAL A 55 0.874 8.248 10.342 1.00 0.00 C ATOM 706 O VAL A 55 0.051 8.623 9.511 1.00 0.00 O ATOM 707 CB VAL A 55 2.329 6.323 9.657 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.953 6.477 8.186 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.548 7.189 9.964 1.00 0.00 C ATOM 0 H VAL A 55 -0.737 6.521 9.691 1.00 0.00 H new ATOM 0 HA VAL A 55 1.419 6.595 11.575 1.00 0.00 H new ATOM 0 HB VAL A 55 2.563 5.279 9.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.789 6.161 7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.082 5.859 7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.719 7.521 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.385 6.874 9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.314 8.233 9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.817 7.079 11.015 1.00 0.00 H new ATOM 719 N THR A 56 1.560 9.093 11.116 1.00 0.00 N ATOM 720 CA THR A 56 1.375 10.527 11.027 1.00 0.00 C ATOM 721 C THR A 56 2.721 11.212 10.837 1.00 0.00 C ATOM 722 O THR A 56 3.681 10.906 11.541 1.00 0.00 O ATOM 723 CB THR A 56 0.686 11.030 12.292 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.405 10.192 12.597 1.00 0.00 O ATOM 725 CG2 THR A 56 0.186 12.454 12.066 1.00 0.00 C ATOM 0 H THR A 56 2.248 8.799 11.810 1.00 0.00 H new ATOM 0 HA THR A 56 0.747 10.763 10.168 1.00 0.00 H new ATOM 0 HB THR A 56 1.394 11.020 13.120 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.847 10.513 13.410 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.306 12.814 12.969 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.029 13.103 11.829 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.523 12.464 11.238 1.00 0.00 H new ATOM 733 N ALA A 57 2.789 12.143 9.882 1.00 0.00 N ATOM 734 CA ALA A 57 4.014 12.865 9.604 1.00 0.00 C ATOM 735 C ALA A 57 4.331 13.805 10.759 1.00 0.00 C ATOM 736 O ALA A 57 3.426 14.379 11.360 1.00 0.00 O ATOM 737 CB ALA A 57 3.859 13.642 8.300 1.00 0.00 C ATOM 0 H ALA A 57 2.001 12.409 9.291 1.00 0.00 H new ATOM 0 HA ALA A 57 4.840 12.162 9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.780 14.186 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.653 12.948 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.034 14.348 8.393 1.00 0.00 H new ATOM 743 N ASP A 58 5.621 13.961 11.067 1.00 0.00 N ATOM 744 CA ASP A 58 6.049 14.827 12.146 1.00 0.00 C ATOM 745 C ASP A 58 6.198 16.253 11.634 1.00 0.00 C ATOM 746 O ASP A 58 5.825 16.549 10.501 1.00 0.00 O ATOM 747 CB ASP A 58 7.370 14.316 12.714 1.00 0.00 C ATOM 748 CG ASP A 58 8.456 14.313 11.647 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.249 15.003 10.625 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.472 13.621 11.873 1.00 0.00 O ATOM 0 H ASP A 58 6.383 13.493 10.577 1.00 0.00 H new ATOM 0 HA ASP A 58 5.302 14.823 12.939 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.678 14.944 13.550 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.236 13.307 13.105 1.00 0.00 H new ATOM 755 N ALA A 59 6.744 17.137 12.472 1.00 0.00 N ATOM 756 CA ALA A 59 6.937 18.524 12.101 1.00 0.00 C ATOM 757 C ALA A 59 7.892 18.613 10.919 1.00 0.00 C ATOM 758 O ALA A 59 7.843 19.570 10.150 1.00 0.00 O ATOM 759 CB ALA A 59 7.484 19.298 13.297 1.00 0.00 C ATOM 0 H ALA A 59 7.059 16.907 13.415 1.00 0.00 H new ATOM 0 HA ALA A 59 5.983 18.962 11.806 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.630 20.342 13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.776 19.238 14.124 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.437 18.868 13.604 1.00 0.00 H new ATOM 765 N ASN A 60 8.763 17.611 10.775 1.00 0.00 N ATOM 766 CA ASN A 60 9.721 17.584 9.689 1.00 0.00 C ATOM 767 C ASN A 60 9.048 17.095 8.415 1.00 0.00 C ATOM 768 O ASN A 60 9.644 17.133 7.340 1.00 0.00 O ATOM 769 CB ASN A 60 10.888 16.675 10.065 1.00 0.00 C ATOM 770 CG ASN A 60 12.198 17.213 9.507 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.526 18.381 9.706 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.948 16.358 8.809 1.00 0.00 N ATOM 0 H ASN A 60 8.817 16.810 11.404 1.00 0.00 H new ATOM 0 HA ASN A 60 10.101 18.590 9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.956 16.594 11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.710 15.670 9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.837 16.665 8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.632 15.398 8.671 1.00 0.00 H new ATOM 779 N GLY A 61 7.800 16.636 8.535 1.00 0.00 N ATOM 780 CA GLY A 61 7.056 16.145 7.392 1.00 0.00 C ATOM 781 C GLY A 61 7.546 14.758 7.001 1.00 0.00 C ATOM 782 O GLY A 61 7.503 14.389 5.829 1.00 0.00 O ATOM 0 H GLY A 61 7.290 16.598 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.993 16.109 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.172 16.830 6.552 1.00 0.00 H new ATOM 786 N SER A 62 8.014 13.988 7.986 1.00 0.00 N ATOM 787 CA SER A 62 8.508 12.649 7.740 1.00 0.00 C ATOM 788 C SER A 62 7.731 11.648 8.584 1.00 0.00 C ATOM 789 O SER A 62 7.531 11.862 9.778 1.00 0.00 O ATOM 790 CB SER A 62 9.998 12.589 8.066 1.00 0.00 C ATOM 791 OG SER A 62 10.208 13.037 9.387 1.00 0.00 O ATOM 0 H SER A 62 8.057 14.279 8.963 1.00 0.00 H new ATOM 0 HA SER A 62 8.368 12.394 6.690 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.365 11.569 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.560 13.209 7.367 1.00 0.00 H new ATOM 0 HG SER A 62 9.531 12.644 9.977 1.00 0.00 H new ATOM 797 N ALA A 63 7.292 10.553 7.960 1.00 0.00 N ATOM 798 CA ALA A 63 6.540 9.526 8.654 1.00 0.00 C ATOM 799 C ALA A 63 7.291 8.204 8.587 1.00 0.00 C ATOM 800 O ALA A 63 8.184 8.036 7.760 1.00 0.00 O ATOM 801 CB ALA A 63 5.157 9.396 8.022 1.00 0.00 C ATOM 0 H ALA A 63 7.449 10.362 6.971 1.00 0.00 H new ATOM 0 HA ALA A 63 6.421 9.801 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.590 8.624 8.543 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.631 10.347 8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.261 9.124 6.972 1.00 0.00 H new ATOM 807 N SER A 64 6.925 7.263 9.461 1.00 0.00 N ATOM 808 CA SER A 64 7.564 5.963 9.496 1.00 0.00 C ATOM 809 C SER A 64 6.569 4.911 9.964 1.00 0.00 C ATOM 810 O SER A 64 5.920 5.082 10.994 1.00 0.00 O ATOM 811 CB SER A 64 8.773 6.016 10.425 1.00 0.00 C ATOM 812 OG SER A 64 8.339 5.949 11.765 1.00 0.00 O ATOM 0 H SER A 64 6.186 7.387 10.153 1.00 0.00 H new ATOM 0 HA SER A 64 7.903 5.693 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.448 5.188 10.208 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.333 6.936 10.258 1.00 0.00 H new ATOM 0 HG SER A 64 7.364 5.857 11.789 1.00 0.00 H new ATOM 818 N THR A 65 6.451 3.818 9.206 1.00 0.00 N ATOM 819 CA THR A 65 5.538 2.747 9.552 1.00 0.00 C ATOM 820 C THR A 65 5.964 1.460 8.861 1.00 0.00 C ATOM 821 O THR A 65 6.662 1.496 7.850 1.00 0.00 O ATOM 822 CB THR A 65 4.121 3.137 9.143 1.00 0.00 C ATOM 823 OG1 THR A 65 3.315 3.256 10.294 1.00 0.00 O ATOM 824 CG2 THR A 65 3.542 2.063 8.226 1.00 0.00 C ATOM 0 H THR A 65 6.981 3.659 8.349 1.00 0.00 H new ATOM 0 HA THR A 65 5.559 2.580 10.629 1.00 0.00 H new ATOM 0 HB THR A 65 4.145 4.091 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.715 3.908 10.907 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.530 2.341 7.934 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.164 1.970 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.518 1.109 8.753 1.00 0.00 H new ATOM 832 N SER A 66 5.541 0.319 9.409 1.00 0.00 N ATOM 833 CA SER A 66 5.878 -0.972 8.844 1.00 0.00 C ATOM 834 C SER A 66 4.615 -1.670 8.360 1.00 0.00 C ATOM 835 O SER A 66 3.670 -1.847 9.124 1.00 0.00 O ATOM 836 CB SER A 66 6.594 -1.815 9.895 1.00 0.00 C ATOM 837 OG SER A 66 6.970 -0.996 10.979 1.00 0.00 O ATOM 0 H SER A 66 4.962 0.272 10.247 1.00 0.00 H new ATOM 0 HA SER A 66 6.543 -0.837 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.941 -2.616 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.475 -2.287 9.460 1.00 0.00 H new ATOM 0 HG SER A 66 7.428 -1.538 11.655 1.00 0.00 H new ATOM 843 N LEU A 67 4.602 -2.067 7.085 1.00 0.00 N ATOM 844 CA LEU A 67 3.459 -2.744 6.506 1.00 0.00 C ATOM 845 C LEU A 67 3.702 -4.247 6.490 1.00 0.00 C ATOM 846 O LEU A 67 4.846 -4.693 6.525 1.00 0.00 O ATOM 847 CB LEU A 67 3.220 -2.220 5.093 1.00 0.00 C ATOM 848 CG LEU A 67 1.721 -2.189 4.809 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.373 -0.912 4.050 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.337 -3.403 3.968 1.00 0.00 C ATOM 0 H LEU A 67 5.378 -1.926 6.439 1.00 0.00 H new ATOM 0 HA LEU A 67 2.572 -2.546 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.642 -1.220 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.725 -2.857 4.367 1.00 0.00 H new ATOM 0 HG LEU A 67 1.172 -2.212 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.302 -0.890 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.646 -0.045 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.921 -0.888 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.266 -3.381 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.885 -3.381 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.585 -4.315 4.511 1.00 0.00 H new ATOM 862 N THR A 68 2.621 -5.028 6.436 1.00 0.00 N ATOM 863 CA THR A 68 2.726 -6.473 6.415 1.00 0.00 C ATOM 864 C THR A 68 2.412 -6.995 5.020 1.00 0.00 C ATOM 865 O THR A 68 1.506 -6.496 4.356 1.00 0.00 O ATOM 866 CB THR A 68 1.767 -7.067 7.442 1.00 0.00 C ATOM 867 OG1 THR A 68 1.195 -8.247 6.924 1.00 0.00 O ATOM 868 CG2 THR A 68 0.663 -6.059 7.750 1.00 0.00 C ATOM 0 H THR A 68 1.665 -4.675 6.406 1.00 0.00 H new ATOM 0 HA THR A 68 3.743 -6.770 6.671 1.00 0.00 H new ATOM 0 HB THR A 68 2.313 -7.299 8.357 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.902 -8.900 6.740 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.022 -6.483 8.484 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.105 -5.147 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.117 -5.826 6.836 1.00 0.00 H new ATOM 876 N VAL A 69 3.166 -8.004 4.576 1.00 0.00 N ATOM 877 CA VAL A 69 2.967 -8.589 3.266 1.00 0.00 C ATOM 878 C VAL A 69 2.150 -9.867 3.391 1.00 0.00 C ATOM 879 O VAL A 69 2.516 -10.768 4.143 1.00 0.00 O ATOM 880 CB VAL A 69 4.322 -8.873 2.625 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.272 -10.216 1.902 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.653 -7.769 1.625 1.00 0.00 C ATOM 0 H VAL A 69 3.921 -8.428 5.115 1.00 0.00 H new ATOM 0 HA VAL A 69 2.419 -7.892 2.631 1.00 0.00 H new ATOM 0 HB VAL A 69 5.090 -8.905 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.240 -10.419 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.036 -11.005 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.504 -10.185 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.621 -7.971 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.885 -7.736 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.689 -6.810 2.141 1.00 0.00 H new ATOM 892 N ARG A 70 1.042 -9.945 2.652 1.00 0.00 N ATOM 893 CA ARG A 70 0.180 -11.109 2.684 1.00 0.00 C ATOM 894 C ARG A 70 0.110 -11.737 1.300 1.00 0.00 C ATOM 895 O ARG A 70 -0.025 -11.032 0.302 1.00 0.00 O ATOM 896 CB ARG A 70 -1.209 -10.700 3.164 1.00 0.00 C ATOM 897 CG ARG A 70 -1.287 -10.843 4.681 1.00 0.00 C ATOM 898 CD ARG A 70 0.035 -10.400 5.302 1.00 0.00 C ATOM 899 NE ARG A 70 -0.117 -10.145 6.734 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.056 -11.116 7.656 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.153 -12.385 7.279 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.204 -10.818 8.954 1.00 0.00 N ATOM 0 H ARG A 70 0.726 -9.207 2.023 1.00 0.00 H new ATOM 0 HA ARG A 70 0.585 -11.847 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.417 -9.670 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.967 -11.323 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.106 -10.239 5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.498 -11.878 4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.791 -11.170 5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.390 -9.498 4.804 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.276 -9.187 7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.266 -12.612 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.200 -13.124 7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.363 -9.852 9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.158 -11.557 9.655 1.00 0.00 H new ATOM 916 N ARG A 71 0.201 -13.068 1.240 1.00 0.00 N ATOM 917 CA ARG A 71 0.148 -13.783 -0.019 1.00 0.00 C ATOM 918 C ARG A 71 -1.193 -13.535 -0.696 1.00 0.00 C ATOM 919 O ARG A 71 -1.268 -13.465 -1.921 1.00 0.00 O ATOM 920 CB ARG A 71 0.358 -15.273 0.234 1.00 0.00 C ATOM 921 CG ARG A 71 -0.645 -15.758 1.276 1.00 0.00 C ATOM 922 CD ARG A 71 -0.655 -17.284 1.301 1.00 0.00 C ATOM 923 NE ARG A 71 0.187 -17.798 2.381 1.00 0.00 N ATOM 924 CZ ARG A 71 -0.126 -17.654 3.676 1.00 0.00 C ATOM 925 NH1 ARG A 71 -1.253 -17.019 4.027 1.00 0.00 N ATOM 926 NH2 ARG A 71 0.687 -18.146 4.621 1.00 0.00 N ATOM 0 H ARG A 71 0.312 -13.667 2.058 1.00 0.00 H new ATOM 0 HA ARG A 71 0.938 -13.425 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.233 -15.831 -0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.375 -15.454 0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.381 -15.369 2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.640 -15.381 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.676 -17.642 1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.301 -17.669 0.345 1.00 0.00 H new ATOM 0 HE ARG A 71 1.049 -18.287 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.873 -16.645 3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.491 -16.910 5.013 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.544 -18.630 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.448 -18.036 5.607 1.00 0.00 H new ATOM 940 N SER A 72 -2.253 -13.402 0.105 1.00 0.00 N ATOM 941 CA SER A 72 -3.581 -13.162 -0.421 1.00 0.00 C ATOM 942 C SER A 72 -4.445 -12.496 0.641 1.00 0.00 C ATOM 943 O SER A 72 -4.114 -12.530 1.824 1.00 0.00 O ATOM 944 CB SER A 72 -4.198 -14.485 -0.867 1.00 0.00 C ATOM 945 OG SER A 72 -4.207 -15.388 0.216 1.00 0.00 O ATOM 0 H SER A 72 -2.207 -13.458 1.122 1.00 0.00 H new ATOM 0 HA SER A 72 -3.520 -12.496 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.214 -14.322 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.629 -14.902 -1.698 1.00 0.00 H new ATOM 0 HG SER A 72 -4.605 -16.237 -0.069 1.00 0.00 H new ATOM 951 N PHE A 73 -5.555 -11.889 0.216 1.00 0.00 N ATOM 952 CA PHE A 73 -6.458 -11.221 1.131 1.00 0.00 C ATOM 953 C PHE A 73 -7.656 -10.675 0.368 1.00 0.00 C ATOM 954 O PHE A 73 -7.630 -10.594 -0.858 1.00 0.00 O ATOM 955 CB PHE A 73 -5.714 -10.098 1.848 1.00 0.00 C ATOM 956 CG PHE A 73 -4.756 -9.345 0.957 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.249 -8.488 -0.035 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.375 -9.501 1.124 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.360 -7.788 -0.860 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.486 -8.801 0.299 1.00 0.00 C ATOM 961 CZ PHE A 73 -2.979 -7.945 -0.693 1.00 0.00 C ATOM 0 H PHE A 73 -5.843 -11.851 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.821 -11.931 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.440 -9.398 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.162 -10.518 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.314 -8.367 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.995 -10.161 1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.740 -7.127 -1.625 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.421 -8.921 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.294 -7.405 -1.330 1.00 0.00 H new ATOM 971 N GLU A 74 -8.710 -10.298 1.097 1.00 0.00 N ATOM 972 CA GLU A 74 -9.908 -9.761 0.484 1.00 0.00 C ATOM 973 C GLU A 74 -9.611 -8.401 -0.132 1.00 0.00 C ATOM 974 O GLU A 74 -9.270 -7.456 0.576 1.00 0.00 O ATOM 975 CB GLU A 74 -11.009 -9.649 1.535 1.00 0.00 C ATOM 976 CG GLU A 74 -10.425 -9.084 2.826 1.00 0.00 C ATOM 977 CD GLU A 74 -10.192 -10.189 3.846 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.137 -10.982 4.050 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.073 -10.221 4.404 1.00 0.00 O ATOM 0 H GLU A 74 -8.749 -10.359 2.114 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.245 -10.429 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.809 -9.003 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.450 -10.628 1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.484 -8.576 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.103 -8.338 3.241 1.00 0.00 H new ATOM 986 N GLY A 75 -9.742 -8.302 -1.457 1.00 0.00 N ATOM 987 CA GLY A 75 -9.488 -7.059 -2.157 1.00 0.00 C ATOM 988 C GLY A 75 -10.654 -6.099 -1.967 1.00 0.00 C ATOM 989 O GLY A 75 -11.635 -6.157 -2.705 1.00 0.00 O ATOM 0 H GLY A 75 -10.024 -9.075 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.570 -6.605 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.339 -7.255 -3.219 1.00 0.00 H new ATOM 993 N PHE A 76 -10.544 -5.213 -0.974 1.00 0.00 N ATOM 994 CA PHE A 76 -11.588 -4.248 -0.694 1.00 0.00 C ATOM 995 C PHE A 76 -11.431 -3.039 -1.605 1.00 0.00 C ATOM 996 O PHE A 76 -10.609 -2.163 -1.342 1.00 0.00 O ATOM 997 CB PHE A 76 -11.516 -3.834 0.773 1.00 0.00 C ATOM 998 CG PHE A 76 -12.742 -4.214 1.567 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.015 -3.857 1.105 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.607 -4.922 2.767 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.152 -4.208 1.843 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.744 -5.273 3.505 1.00 0.00 C ATOM 1003 CZ PHE A 76 -15.016 -4.916 3.043 1.00 0.00 C ATOM 0 H PHE A 76 -9.737 -5.151 -0.354 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.563 -4.696 -0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.640 -4.295 1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.375 -2.755 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.120 -3.311 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.626 -5.198 3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.134 -3.933 1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.639 -5.819 4.431 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.893 -5.187 3.612 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.222 -2.992 -2.680 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.167 -1.893 -3.623 1.00 0.00 C ATOM 1015 C LEU A 77 -12.411 -0.577 -2.897 1.00 0.00 C ATOM 1016 O LEU A 77 -13.363 -0.456 -2.129 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.210 -2.108 -4.716 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.667 -0.756 -5.257 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.483 -0.040 -5.900 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.761 -0.969 -6.299 1.00 0.00 C ATOM 0 H LEU A 77 -12.908 -3.710 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.180 -1.854 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.790 -2.710 -5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.062 -2.659 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.058 -0.150 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.808 0.926 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.702 0.112 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.092 -0.645 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.088 -0.004 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.371 -1.575 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.606 -1.481 -5.839 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.547 0.411 -3.142 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.674 1.709 -2.512 1.00 0.00 C ATOM 1034 C PHE A 78 -13.111 2.200 -2.626 1.00 0.00 C ATOM 1035 O PHE A 78 -13.621 2.849 -1.715 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.712 2.692 -3.174 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.358 2.751 -2.509 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -9.177 3.527 -1.358 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.283 2.031 -3.044 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.921 3.584 -0.742 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.027 2.087 -2.428 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.846 2.864 -1.277 1.00 0.00 C ATOM 0 H PHE A 78 -10.752 0.327 -3.776 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.421 1.630 -1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.582 2.413 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.157 3.687 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -10.006 4.082 -0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -8.423 1.432 -3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.781 4.183 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.198 1.531 -2.840 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.877 2.908 -0.802 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.762 1.890 -3.749 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.133 2.301 -3.976 1.00 0.00 C ATOM 1054 C ASP A 79 -16.021 1.769 -2.861 1.00 0.00 C ATOM 1055 O ASP A 79 -17.141 2.241 -2.678 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.600 1.783 -5.333 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.499 2.799 -6.023 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.677 2.886 -5.612 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -15.993 3.469 -6.949 1.00 0.00 O ATOM 0 H ASP A 79 -13.352 1.353 -4.513 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.196 3.389 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.736 1.570 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.139 0.844 -5.203 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.520 0.782 -2.113 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.274 0.196 -1.023 1.00 0.00 C ATOM 1066 C GLY A 80 -16.945 -1.092 -1.478 1.00 0.00 C ATOM 1067 O GLY A 80 -17.983 -1.476 -0.945 1.00 0.00 O ATOM 0 H GLY A 80 -14.594 0.378 -2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.611 -0.008 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.027 0.902 -0.672 1.00 0.00 H new ATOM 1071 N THR A 81 -16.349 -1.760 -2.469 1.00 0.00 N ATOM 1072 CA THR A 81 -16.894 -2.998 -2.987 1.00 0.00 C ATOM 1073 C THR A 81 -15.928 -4.143 -2.715 1.00 0.00 C ATOM 1074 O THR A 81 -14.716 -3.943 -2.681 1.00 0.00 O ATOM 1075 CB THR A 81 -17.151 -2.853 -4.484 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.225 -1.963 -4.692 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.498 -4.216 -5.076 1.00 0.00 C ATOM 0 H THR A 81 -15.488 -1.456 -2.923 1.00 0.00 H new ATOM 0 HA THR A 81 -17.838 -3.220 -2.489 1.00 0.00 H new ATOM 0 HB THR A 81 -16.256 -2.464 -4.970 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.390 -1.868 -5.653 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.682 -4.112 -6.145 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.668 -4.904 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.392 -4.606 -4.591 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.470 -5.348 -2.520 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.658 -6.517 -2.252 1.00 0.00 C ATOM 1087 C ARG A 82 -15.301 -7.209 -3.560 1.00 0.00 C ATOM 1088 O ARG A 82 -16.090 -7.991 -4.085 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.421 -7.464 -1.330 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.483 -8.563 -0.839 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.935 -9.908 -1.401 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.835 -10.590 -0.470 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.368 -11.792 -0.725 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -17.082 -12.422 -1.873 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -18.186 -12.366 0.167 1.00 0.00 N ATOM 0 H ARG A 82 -17.473 -5.530 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.733 -6.217 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.828 -6.913 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.266 -7.903 -1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.461 -8.351 -1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.481 -8.594 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.440 -9.756 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.065 -10.535 -1.597 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.066 -10.130 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.458 -11.986 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.488 -13.337 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.403 -11.888 1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.591 -13.281 -0.028 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.109 -6.920 -4.085 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.659 -7.518 -5.326 1.00 0.00 C ATOM 1111 C TRP A 83 -13.524 -9.025 -5.156 1.00 0.00 C ATOM 1112 O TRP A 83 -14.156 -9.792 -5.878 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.325 -6.899 -5.734 1.00 0.00 C ATOM 1114 CG TRP A 83 -11.964 -7.073 -7.174 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.178 -8.054 -7.668 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.358 -6.261 -8.322 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.059 -7.906 -9.034 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -11.768 -6.814 -9.491 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.153 -5.114 -8.495 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.956 -6.261 -10.761 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -13.348 -4.552 -9.765 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.752 -5.121 -10.897 1.00 0.00 C ATOM 0 H TRP A 83 -13.443 -6.273 -3.663 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.390 -7.326 -6.111 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.351 -5.833 -5.507 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.536 -7.336 -5.122 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.714 -8.834 -7.083 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -10.514 -8.527 -9.632 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.621 -4.658 -7.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.491 -6.710 -11.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.964 -3.671 -9.871 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.907 -4.681 -11.871 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.697 -9.448 -4.197 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.487 -10.859 -3.941 1.00 0.00 C ATOM 1135 C GLY A 84 -11.106 -11.087 -3.343 1.00 0.00 C ATOM 1136 O GLY A 84 -10.301 -10.161 -3.262 1.00 0.00 O ATOM 0 H GLY A 84 -12.165 -8.826 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.252 -11.230 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.587 -11.423 -4.869 1.00 0.00 H new ATOM 1140 N THR A 85 -10.833 -12.324 -2.922 1.00 0.00 N ATOM 1141 CA THR A 85 -9.552 -12.663 -2.336 1.00 0.00 C ATOM 1142 C THR A 85 -8.463 -12.602 -3.397 1.00 0.00 C ATOM 1143 O THR A 85 -8.361 -13.492 -4.238 1.00 0.00 O ATOM 1144 CB THR A 85 -9.628 -14.057 -1.719 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.938 -14.292 -1.253 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.648 -14.152 -0.554 1.00 0.00 C ATOM 0 H THR A 85 -11.489 -13.103 -2.980 1.00 0.00 H new ATOM 0 HA THR A 85 -9.307 -11.945 -1.553 1.00 0.00 H new ATOM 0 HB THR A 85 -9.370 -14.803 -2.471 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.989 -15.187 -0.858 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.702 -15.147 -0.113 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.636 -13.969 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.905 -13.407 0.199 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.647 -11.546 -3.356 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.571 -11.373 -4.311 1.00 0.00 C ATOM 1156 C VAL A 86 -5.392 -12.255 -3.924 1.00 0.00 C ATOM 1157 O VAL A 86 -5.206 -12.565 -2.750 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.158 -9.905 -4.351 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.395 -9.033 -4.541 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.471 -9.535 -3.039 1.00 0.00 C ATOM 0 H VAL A 86 -7.719 -10.799 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.910 -11.668 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.470 -9.743 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.100 -7.984 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.886 -9.297 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.084 -9.194 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.175 -8.486 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.160 -9.696 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.587 -10.158 -2.903 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.596 -12.659 -4.916 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.442 -13.502 -4.675 1.00 0.00 C ATOM 1172 C ASP A 87 -2.170 -12.750 -5.037 1.00 0.00 C ATOM 1173 O ASP A 87 -1.742 -12.769 -6.189 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.567 -14.781 -5.498 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.223 -15.889 -4.685 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.493 -16.515 -3.887 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.442 -16.088 -4.878 1.00 0.00 O ATOM 0 H ASP A 87 -4.737 -12.410 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.395 -13.768 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.155 -14.585 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.580 -15.103 -5.829 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.565 -12.086 -4.049 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.347 -11.331 -4.267 1.00 0.00 C ATOM 1184 C CYS A 88 0.684 -12.209 -4.963 1.00 0.00 C ATOM 1185 O CYS A 88 1.552 -11.706 -5.673 1.00 0.00 O ATOM 1186 CB CYS A 88 0.186 -10.828 -2.929 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.681 -9.372 -2.293 1.00 0.00 S ATOM 0 H CYS A 88 -1.908 -12.061 -3.089 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.555 -10.472 -4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.113 -11.631 -2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.244 -10.590 -3.037 1.00 0.00 H new ATOM 1192 N THR A 89 0.587 -13.524 -4.759 1.00 0.00 N ATOM 1193 CA THR A 89 1.512 -14.459 -5.369 1.00 0.00 C ATOM 1194 C THR A 89 1.118 -14.708 -6.817 1.00 0.00 C ATOM 1195 O THR A 89 1.766 -15.484 -7.516 1.00 0.00 O ATOM 1196 CB THR A 89 1.510 -15.764 -4.577 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.215 -16.320 -4.590 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.930 -15.485 -3.136 1.00 0.00 C ATOM 0 H THR A 89 -0.127 -13.958 -4.174 1.00 0.00 H new ATOM 0 HA THR A 89 2.518 -14.040 -5.355 1.00 0.00 H new ATOM 0 HB THR A 89 2.211 -16.465 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.214 -17.159 -4.083 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.929 -16.416 -2.570 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.932 -15.055 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.230 -14.784 -2.682 1.00 0.00 H new ATOM 1206 N THR A 90 0.050 -14.045 -7.270 1.00 0.00 N ATOM 1207 CA THR A 90 -0.420 -14.198 -8.631 1.00 0.00 C ATOM 1208 C THR A 90 -0.354 -12.862 -9.357 1.00 0.00 C ATOM 1209 O THR A 90 -0.202 -12.821 -10.576 1.00 0.00 O ATOM 1210 CB THR A 90 -1.848 -14.736 -8.617 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.821 -16.141 -8.501 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.551 -14.347 -9.915 1.00 0.00 C ATOM 0 H THR A 90 -0.500 -13.398 -6.705 1.00 0.00 H new ATOM 0 HA THR A 90 0.217 -14.906 -9.161 1.00 0.00 H new ATOM 0 HB THR A 90 -2.387 -14.312 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.738 -16.486 -8.490 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.571 -14.731 -9.906 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.573 -13.261 -10.006 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.012 -14.771 -10.762 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.469 -11.767 -8.602 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.423 -10.436 -9.174 1.00 0.00 C ATOM 1222 C ALA A 91 0.543 -9.567 -8.382 1.00 0.00 C ATOM 1223 O ALA A 91 1.145 -10.028 -7.415 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.824 -9.832 -9.167 1.00 0.00 C ATOM 0 H ALA A 91 -0.595 -11.785 -7.590 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.070 -10.491 -10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.791 -8.831 -9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.493 -10.458 -9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.190 -9.775 -8.142 1.00 0.00 H new ATOM 1230 N ALA A 92 0.691 -8.306 -8.794 1.00 0.00 N ATOM 1231 CA ALA A 92 1.582 -7.382 -8.124 1.00 0.00 C ATOM 1232 C ALA A 92 0.792 -6.517 -7.152 1.00 0.00 C ATOM 1233 O ALA A 92 -0.179 -5.872 -7.541 1.00 0.00 O ATOM 1234 CB ALA A 92 2.293 -6.518 -9.162 1.00 0.00 C ATOM 0 H ALA A 92 0.198 -7.909 -9.594 1.00 0.00 H new ATOM 0 HA ALA A 92 2.331 -7.938 -7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.964 -5.822 -8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.869 -7.155 -9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.555 -5.959 -9.737 1.00 0.00 H new ATOM 1240 N CYS A 93 1.211 -6.505 -5.884 1.00 0.00 N ATOM 1241 CA CYS A 93 0.543 -5.722 -4.865 1.00 0.00 C ATOM 1242 C CYS A 93 1.369 -4.485 -4.542 1.00 0.00 C ATOM 1243 O CYS A 93 2.518 -4.376 -4.964 1.00 0.00 O ATOM 1244 CB CYS A 93 0.341 -6.577 -3.618 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.664 -8.057 -3.896 1.00 0.00 S ATOM 0 H CYS A 93 2.015 -7.035 -5.547 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.432 -5.399 -5.230 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.316 -6.879 -3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.131 -5.969 -2.846 1.00 0.00 H new ATOM 1250 N GLN A 94 0.780 -3.550 -3.792 1.00 0.00 N ATOM 1251 CA GLN A 94 1.464 -2.328 -3.419 1.00 0.00 C ATOM 1252 C GLN A 94 0.869 -1.776 -2.131 1.00 0.00 C ATOM 1253 O GLN A 94 -0.328 -1.914 -1.888 1.00 0.00 O ATOM 1254 CB GLN A 94 1.339 -1.312 -4.551 1.00 0.00 C ATOM 1255 CG GLN A 94 0.320 -0.243 -4.167 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.187 0.491 -5.400 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.253 1.602 -5.688 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.117 -0.133 -6.127 1.00 0.00 N ATOM 0 H GLN A 94 -0.172 -3.625 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 94 2.520 -2.535 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.307 -0.852 -4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.029 -1.811 -5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.517 -0.704 -3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.775 0.468 -3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.450 -1.055 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.494 0.313 -6.963 1.00 0.00 H new ATOM 1267 N VAL A 95 1.709 -1.148 -1.305 1.00 0.00 N ATOM 1268 CA VAL A 95 1.265 -0.578 -0.049 1.00 0.00 C ATOM 1269 C VAL A 95 1.094 0.927 -0.198 1.00 0.00 C ATOM 1270 O VAL A 95 1.582 1.516 -1.160 1.00 0.00 O ATOM 1271 CB VAL A 95 2.280 -0.903 1.043 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.135 0.098 2.186 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.028 -2.313 1.568 1.00 0.00 C ATOM 0 H VAL A 95 2.704 -1.026 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 95 0.302 -1.006 0.230 1.00 0.00 H new ATOM 0 HB VAL A 95 3.288 -0.843 0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.860 -0.134 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.314 1.106 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.127 0.037 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.753 -2.546 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.020 -2.373 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.131 -3.029 0.752 1.00 0.00 H new ATOM 1283 N GLY A 96 0.400 1.549 0.758 1.00 0.00 N ATOM 1284 CA GLY A 96 0.173 2.980 0.724 1.00 0.00 C ATOM 1285 C GLY A 96 -0.640 3.414 1.935 1.00 0.00 C ATOM 1286 O GLY A 96 -1.181 2.578 2.655 1.00 0.00 O ATOM 0 H GLY A 96 -0.011 1.076 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.127 3.506 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.353 3.250 -0.192 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.725 4.728 2.159 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.469 5.267 3.280 1.00 0.00 C ATOM 1292 C LEU A 97 -2.372 6.396 2.805 1.00 0.00 C ATOM 1293 O LEU A 97 -1.905 7.349 2.186 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.495 5.765 4.344 1.00 0.00 C ATOM 1295 CG LEU A 97 0.349 6.898 3.770 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.378 8.062 4.756 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.771 6.401 3.527 1.00 0.00 C ATOM 0 H LEU A 97 -0.282 5.434 1.571 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.094 4.487 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.043 6.113 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.148 4.949 4.674 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.085 7.232 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.981 8.872 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.638 8.418 4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.811 7.729 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.374 7.211 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.205 6.066 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.751 5.570 2.821 1.00 0.00 H new ATOM 1309 N SER A 98 -3.670 6.286 3.096 1.00 0.00 N ATOM 1310 CA SER A 98 -4.630 7.297 2.700 1.00 0.00 C ATOM 1311 C SER A 98 -4.954 8.195 3.885 1.00 0.00 C ATOM 1312 O SER A 98 -4.838 7.776 5.035 1.00 0.00 O ATOM 1313 CB SER A 98 -5.892 6.620 2.172 1.00 0.00 C ATOM 1314 OG SER A 98 -5.612 6.003 0.936 1.00 0.00 O ATOM 0 H SER A 98 -4.073 5.501 3.607 1.00 0.00 H new ATOM 0 HA SER A 98 -4.207 7.915 1.908 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.247 5.879 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.688 7.354 2.052 1.00 0.00 H new ATOM 0 HG SER A 98 -6.449 5.706 0.522 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.364 9.434 3.603 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.702 10.383 4.644 1.00 0.00 C ATOM 1322 C ASP A 99 -7.176 10.750 4.546 1.00 0.00 C ATOM 1323 O ASP A 99 -7.946 10.062 3.880 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.825 11.624 4.506 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.516 12.687 3.663 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.551 12.497 2.428 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.995 13.669 4.270 1.00 0.00 O ATOM 0 H ASP A 99 -5.467 9.796 2.655 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.523 9.936 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.600 12.027 5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.874 11.353 4.048 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.567 11.839 5.213 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.944 12.290 5.199 1.00 0.00 C ATOM 1334 C ALA A 100 -9.357 12.640 3.777 1.00 0.00 C ATOM 1335 O ALA A 100 -10.406 12.203 3.307 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.092 13.499 6.118 1.00 0.00 C ATOM 0 H ALA A 100 -6.940 12.421 5.769 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.595 11.494 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.128 13.839 6.108 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.811 13.220 7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.443 14.302 5.770 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.529 13.432 3.091 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.813 13.837 1.729 1.00 0.00 C ATOM 1344 C ALA A 101 -8.624 12.654 0.789 1.00 0.00 C ATOM 1345 O ALA A 101 -9.211 12.617 -0.290 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.891 14.989 1.340 1.00 0.00 C ATOM 0 H ALA A 101 -7.656 13.802 3.466 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.847 14.174 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.103 15.295 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.057 15.831 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.853 14.665 1.414 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.802 11.686 1.201 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.544 10.511 0.392 1.00 0.00 C ATOM 1354 C GLY A 102 -6.263 10.694 -0.410 1.00 0.00 C ATOM 1355 O GLY A 102 -6.264 10.540 -1.629 1.00 0.00 O ATOM 0 H GLY A 102 -7.307 11.701 2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.459 9.632 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.382 10.334 -0.283 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.168 11.025 0.279 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.890 11.226 -0.372 1.00 0.00 C ATOM 1361 C ASN A 103 -2.804 10.455 0.366 1.00 0.00 C ATOM 1362 O ASN A 103 -3.074 9.815 1.380 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.566 12.717 -0.405 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.621 13.093 0.727 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.567 13.678 0.489 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.001 12.757 1.962 1.00 0.00 N ATOM 0 H ASN A 103 -5.151 11.158 1.290 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.938 10.854 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.113 12.974 -1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.486 13.295 -0.323 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.406 12.986 2.759 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.886 12.272 2.109 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.572 10.518 -0.144 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.457 9.826 0.471 1.00 0.00 C ATOM 1375 C GLY A 104 0.821 10.080 -0.316 1.00 0.00 C ATOM 1376 O GLY A 104 0.811 10.817 -1.299 1.00 0.00 O ATOM 0 H GLY A 104 -1.330 11.045 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.332 10.165 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.661 8.756 0.511 1.00 0.00 H new ATOM 1380 N PRO A 105 1.923 9.466 0.120 1.00 0.00 N ATOM 1381 CA PRO A 105 3.224 9.588 -0.501 1.00 0.00 C ATOM 1382 C PRO A 105 3.235 8.825 -1.818 1.00 0.00 C ATOM 1383 O PRO A 105 2.342 8.022 -2.080 1.00 0.00 O ATOM 1384 CB PRO A 105 4.196 8.966 0.500 1.00 0.00 C ATOM 1385 CG PRO A 105 3.335 7.913 1.197 1.00 0.00 C ATOM 1386 CD PRO A 105 1.970 8.593 1.273 1.00 0.00 C ATOM 0 HA PRO A 105 3.490 10.620 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.058 8.520 0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.580 9.705 1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.293 6.983 0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.720 7.665 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.162 7.861 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.861 9.156 2.200 1.00 0.00 H new ATOM 1394 N GLU A 106 4.249 9.079 -2.649 1.00 0.00 N ATOM 1395 CA GLU A 106 4.367 8.415 -3.932 1.00 0.00 C ATOM 1396 C GLU A 106 3.936 6.960 -3.805 1.00 0.00 C ATOM 1397 O GLU A 106 4.501 6.209 -3.013 1.00 0.00 O ATOM 1398 CB GLU A 106 5.809 8.511 -4.422 1.00 0.00 C ATOM 1399 CG GLU A 106 6.721 7.740 -3.473 1.00 0.00 C ATOM 1400 CD GLU A 106 8.091 8.397 -3.383 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.116 9.636 -3.213 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.087 7.650 -3.485 1.00 0.00 O ATOM 0 H GLU A 106 4.997 9.742 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 106 3.716 8.902 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.889 8.105 -5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.118 9.555 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.268 7.696 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.828 6.712 -3.820 1.00 0.00 H new ATOM 1409 N GLY A 107 2.932 6.562 -4.591 1.00 0.00 N ATOM 1410 CA GLY A 107 2.436 5.201 -4.560 1.00 0.00 C ATOM 1411 C GLY A 107 3.582 4.227 -4.326 1.00 0.00 C ATOM 1412 O GLY A 107 4.728 4.521 -4.658 1.00 0.00 O ATOM 0 H GLY A 107 2.452 7.171 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.693 5.095 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.937 4.967 -5.500 1.00 0.00 H new ATOM 1416 N VAL A 108 3.268 3.063 -3.751 1.00 0.00 N ATOM 1417 CA VAL A 108 4.269 2.053 -3.474 1.00 0.00 C ATOM 1418 C VAL A 108 4.006 0.820 -4.328 1.00 0.00 C ATOM 1419 O VAL A 108 3.118 0.028 -4.021 1.00 0.00 O ATOM 1420 CB VAL A 108 4.238 1.700 -1.990 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.121 0.481 -1.738 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.758 2.881 -1.176 1.00 0.00 C ATOM 0 H VAL A 108 2.322 2.805 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 108 5.258 2.438 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 108 3.214 1.475 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.099 0.229 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.751 -0.363 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.145 0.706 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.736 2.630 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.782 3.106 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.128 3.752 -1.355 1.00 0.00 H new ATOM 1432 N ALA A 109 4.782 0.660 -5.403 1.00 0.00 N ATOM 1433 CA ALA A 109 4.629 -0.472 -6.294 1.00 0.00 C ATOM 1434 C ALA A 109 5.363 -1.678 -5.725 1.00 0.00 C ATOM 1435 O ALA A 109 6.538 -1.586 -5.379 1.00 0.00 O ATOM 1436 CB ALA A 109 5.172 -0.110 -7.673 1.00 0.00 C ATOM 0 H ALA A 109 5.523 1.308 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 109 3.573 -0.725 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.057 -0.961 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.619 0.742 -8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.228 0.148 -7.592 1.00 0.00 H new ATOM 1442 N ILE A 110 4.665 -2.813 -5.630 1.00 0.00 N ATOM 1443 CA ILE A 110 5.251 -4.031 -5.107 1.00 0.00 C ATOM 1444 C ILE A 110 4.790 -5.221 -5.935 1.00 0.00 C ATOM 1445 O ILE A 110 4.070 -5.055 -6.917 1.00 0.00 O ATOM 1446 CB ILE A 110 4.849 -4.200 -3.644 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.327 -4.256 -3.538 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.373 -3.019 -2.833 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.930 -5.248 -2.448 1.00 0.00 C ATOM 0 H ILE A 110 3.689 -2.905 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 110 6.338 -3.972 -5.167 1.00 0.00 H new ATOM 0 HB ILE A 110 5.274 -5.125 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.931 -3.267 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.896 -4.557 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.086 -3.139 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.460 -2.979 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.948 -2.094 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.843 -5.289 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.313 -6.237 -2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.349 -4.928 -1.494 1.00 0.00 H new ATOM 1461 N SER A 111 5.207 -6.426 -5.538 1.00 0.00 N ATOM 1462 CA SER A 111 4.833 -7.634 -6.244 1.00 0.00 C ATOM 1463 C SER A 111 5.291 -8.855 -5.458 1.00 0.00 C ATOM 1464 O SER A 111 5.968 -8.723 -4.441 1.00 0.00 O ATOM 1465 CB SER A 111 5.459 -7.623 -7.636 1.00 0.00 C ATOM 1466 OG SER A 111 4.444 -7.490 -8.606 1.00 0.00 O ATOM 0 H SER A 111 5.806 -6.581 -4.727 1.00 0.00 H new ATOM 0 HA SER A 111 3.749 -7.678 -6.347 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.168 -6.800 -7.721 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.018 -8.544 -7.803 1.00 0.00 H new ATOM 0 HG SER A 111 4.836 -7.561 -9.501 1.00 0.00 H new ATOM 1472 N PHE A 112 4.919 -10.046 -5.932 1.00 0.00 N ATOM 1473 CA PHE A 112 5.294 -11.281 -5.272 1.00 0.00 C ATOM 1474 C PHE A 112 6.042 -12.181 -6.245 1.00 0.00 C ATOM 1475 O PHE A 112 5.470 -12.644 -7.230 1.00 0.00 O ATOM 1476 CB PHE A 112 4.042 -11.975 -4.745 1.00 0.00 C ATOM 1477 CG PHE A 112 3.388 -11.248 -3.594 1.00 0.00 C ATOM 1478 CD1 PHE A 112 2.960 -9.925 -3.755 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.214 -11.896 -2.365 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.356 -9.250 -2.687 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.610 -11.221 -1.298 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.181 -9.898 -1.459 1.00 0.00 C ATOM 0 H PHE A 112 4.357 -10.173 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 112 5.953 -11.063 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.322 -12.074 -5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.303 -12.984 -4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.096 -9.425 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.546 -12.916 -2.240 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.025 -8.229 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.475 -11.721 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.715 -9.377 -0.635 1.00 0.00 H new ATOM 1492 N ASN A 113 7.324 -12.428 -5.968 1.00 0.00 N ATOM 1493 CA ASN A 113 8.140 -13.271 -6.820 1.00 0.00 C ATOM 1494 C ASN A 113 8.196 -12.689 -8.225 1.00 0.00 C ATOM 1495 O ASN A 113 9.113 -11.940 -8.553 1.00 0.00 O ATOM 1496 CB ASN A 113 7.559 -14.682 -6.842 1.00 0.00 C ATOM 1497 CG ASN A 113 7.333 -15.199 -5.428 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.238 -15.764 -4.819 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.120 -15.002 -4.906 1.00 0.00 N ATOM 0 H ASN A 113 7.813 -12.051 -5.156 1.00 0.00 H new ATOM 0 HA ASN A 113 9.156 -13.315 -6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.616 -14.683 -7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.236 -15.350 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.912 -15.326 -3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.401 -14.527 -5.452 1.00 0.00 H new