USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 771 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 30 CYS SG : rot 180:sc= -0.368 USER MOD Set 1.2: A 62 CYS SG : rot 115:sc= -5.22! USER MOD Set 2.1: A 9 SER OG : rot 163:sc= 1.45 USER MOD Set 2.2: A 81 CYS SG : rot 90:sc= 0.638 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 42:sc= 0.924 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.63) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 170:sc= -0.229 USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.187 (180deg=-0.834) USER MOD Single : A 42 LYS NZ :NH3+ -140:sc= 0.111 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-2.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.54! C(o=-1.5!,f=-6.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -34:sc= -0.182 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 101:sc= 1.2 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 86 THR OG1 : rot -110:sc= -0.323 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.778 37.799 -6.842 1.00 0.00 N ATOM 2 CA GLY A 1 -2.676 38.328 -5.494 1.00 0.00 C ATOM 3 C GLY A 1 -2.554 37.236 -4.450 1.00 0.00 C ATOM 4 O GLY A 1 -3.487 36.460 -4.241 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.859 38.585 -7.518 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.929 37.240 -7.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.619 37.192 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.809 38.986 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.555 38.936 -5.278 1.00 0.00 H new ATOM 8 N SER A 2 -1.399 37.173 -3.795 1.00 0.00 N ATOM 9 CA SER A 2 -1.156 36.164 -2.771 1.00 0.00 C ATOM 10 C SER A 2 -0.917 36.815 -1.412 1.00 0.00 C ATOM 11 O SER A 2 0.204 37.207 -1.087 1.00 0.00 O ATOM 12 CB SER A 2 0.047 35.299 -3.153 1.00 0.00 C ATOM 13 OG SER A 2 -0.356 34.173 -3.914 1.00 0.00 O ATOM 0 H SER A 2 -0.617 37.808 -3.955 1.00 0.00 H new ATOM 0 HA SER A 2 -2.042 35.532 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.759 35.893 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.561 34.967 -2.251 1.00 0.00 H new ATOM 0 HG SER A 2 0.431 33.637 -4.147 1.00 0.00 H new ATOM 19 N SER A 3 -1.980 36.928 -0.622 1.00 0.00 N ATOM 20 CA SER A 3 -1.888 37.535 0.701 1.00 0.00 C ATOM 21 C SER A 3 -2.392 36.576 1.775 1.00 0.00 C ATOM 22 O SER A 3 -3.394 35.888 1.588 1.00 0.00 O ATOM 23 CB SER A 3 -2.692 38.836 0.745 1.00 0.00 C ATOM 24 OG SER A 3 -4.065 38.596 0.494 1.00 0.00 O ATOM 0 H SER A 3 -2.915 36.607 -0.875 1.00 0.00 H new ATOM 0 HA SER A 3 -0.840 37.757 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.575 39.307 1.721 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.301 39.534 0.005 1.00 0.00 H new ATOM 0 HG SER A 3 -4.557 39.443 0.529 1.00 0.00 H new ATOM 30 N GLY A 4 -1.688 36.538 2.903 1.00 0.00 N ATOM 31 CA GLY A 4 -2.078 35.660 3.991 1.00 0.00 C ATOM 32 C GLY A 4 -1.142 34.479 4.148 1.00 0.00 C ATOM 33 O GLY A 4 0.076 34.648 4.209 1.00 0.00 O ATOM 0 H GLY A 4 -0.855 37.099 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.101 36.228 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.090 35.296 3.815 1.00 0.00 H new ATOM 37 N SER A 5 -1.710 33.279 4.215 1.00 0.00 N ATOM 38 CA SER A 5 -0.918 32.065 4.371 1.00 0.00 C ATOM 39 C SER A 5 -1.280 31.039 3.303 1.00 0.00 C ATOM 40 O SER A 5 -2.214 30.254 3.471 1.00 0.00 O ATOM 41 CB SER A 5 -1.132 31.467 5.763 1.00 0.00 C ATOM 42 OG SER A 5 -2.492 31.125 5.967 1.00 0.00 O ATOM 0 H SER A 5 -2.716 33.122 4.164 1.00 0.00 H new ATOM 0 HA SER A 5 0.133 32.329 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.509 30.580 5.881 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.816 32.182 6.522 1.00 0.00 H new ATOM 0 HG SER A 5 -2.849 30.706 5.156 1.00 0.00 H new ATOM 48 N SER A 6 -0.534 31.050 2.203 1.00 0.00 N ATOM 49 CA SER A 6 -0.778 30.123 1.104 1.00 0.00 C ATOM 50 C SER A 6 0.134 28.905 1.208 1.00 0.00 C ATOM 51 O SER A 6 1.358 29.026 1.165 1.00 0.00 O ATOM 52 CB SER A 6 -0.562 30.823 -0.239 1.00 0.00 C ATOM 53 OG SER A 6 -1.153 30.089 -1.298 1.00 0.00 O ATOM 0 H SER A 6 0.245 31.691 2.049 1.00 0.00 H new ATOM 0 HA SER A 6 -1.813 29.787 1.168 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.990 31.825 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.506 30.939 -0.424 1.00 0.00 H new ATOM 0 HG SER A 6 -1.002 30.558 -2.145 1.00 0.00 H new ATOM 59 N GLY A 7 -0.472 27.730 1.345 1.00 0.00 N ATOM 60 CA GLY A 7 0.300 26.505 1.454 1.00 0.00 C ATOM 61 C GLY A 7 -0.507 25.277 1.085 1.00 0.00 C ATOM 62 O GLY A 7 -1.059 24.589 1.944 1.00 0.00 O ATOM 0 H GLY A 7 -1.483 27.604 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.173 26.571 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.668 26.401 2.475 1.00 0.00 H new ATOM 66 N PRO A 8 -0.585 24.986 -0.222 1.00 0.00 N ATOM 67 CA PRO A 8 -1.330 23.831 -0.733 1.00 0.00 C ATOM 68 C PRO A 8 -0.662 22.507 -0.378 1.00 0.00 C ATOM 69 O PRO A 8 0.556 22.365 -0.493 1.00 0.00 O ATOM 70 CB PRO A 8 -1.321 24.045 -2.248 1.00 0.00 C ATOM 71 CG PRO A 8 -0.111 24.875 -2.506 1.00 0.00 C ATOM 72 CD PRO A 8 0.048 25.761 -1.302 1.00 0.00 C ATOM 0 HA PRO A 8 -2.330 23.769 -0.304 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.271 23.096 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.227 24.551 -2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.769 24.248 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.230 25.467 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.097 25.965 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.441 26.725 -1.445 1.00 0.00 H new ATOM 80 N SER A 9 -1.465 21.540 0.054 1.00 0.00 N ATOM 81 CA SER A 9 -0.951 20.229 0.429 1.00 0.00 C ATOM 82 C SER A 9 -0.393 19.496 -0.788 1.00 0.00 C ATOM 83 O SER A 9 -0.969 19.543 -1.874 1.00 0.00 O ATOM 84 CB SER A 9 -2.053 19.392 1.080 1.00 0.00 C ATOM 85 OG SER A 9 -3.220 19.371 0.277 1.00 0.00 O ATOM 0 H SER A 9 -2.475 21.640 0.153 1.00 0.00 H new ATOM 0 HA SER A 9 -0.144 20.375 1.147 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.697 18.374 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.291 19.800 2.062 1.00 0.00 H new ATOM 0 HG SER A 9 -3.795 18.628 0.556 1.00 0.00 H new ATOM 91 N LYS A 10 0.734 18.819 -0.597 1.00 0.00 N ATOM 92 CA LYS A 10 1.372 18.074 -1.676 1.00 0.00 C ATOM 93 C LYS A 10 1.971 16.770 -1.157 1.00 0.00 C ATOM 94 O LYS A 10 2.435 16.698 -0.019 1.00 0.00 O ATOM 95 CB LYS A 10 2.463 18.923 -2.333 1.00 0.00 C ATOM 96 CG LYS A 10 1.920 20.047 -3.199 1.00 0.00 C ATOM 97 CD LYS A 10 3.040 20.841 -3.848 1.00 0.00 C ATOM 98 CE LYS A 10 3.513 21.975 -2.950 1.00 0.00 C ATOM 99 NZ LYS A 10 4.095 23.098 -3.735 1.00 0.00 N ATOM 0 H LYS A 10 1.225 18.771 0.296 1.00 0.00 H new ATOM 0 HA LYS A 10 0.611 17.833 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.098 19.349 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.095 18.278 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.272 19.632 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.306 20.712 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.876 20.178 -4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.695 21.248 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.675 22.342 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.258 21.597 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.405 23.850 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.910 22.754 -4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.377 23.476 -4.385 1.00 0.00 H new ATOM 113 N PHE A 11 1.960 15.743 -2.000 1.00 0.00 N ATOM 114 CA PHE A 11 2.503 14.442 -1.627 1.00 0.00 C ATOM 115 C PHE A 11 4.027 14.452 -1.682 1.00 0.00 C ATOM 116 O PHE A 11 4.619 14.717 -2.729 1.00 0.00 O ATOM 117 CB PHE A 11 1.955 13.353 -2.551 1.00 0.00 C ATOM 118 CG PHE A 11 0.492 13.076 -2.351 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.065 12.238 -1.333 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.456 13.653 -3.180 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.280 11.981 -1.146 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.802 13.401 -2.997 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.215 12.563 -1.980 1.00 0.00 C ATOM 0 H PHE A 11 1.581 15.786 -2.946 1.00 0.00 H new ATOM 0 HA PHE A 11 2.196 14.229 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.122 13.649 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.516 12.433 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.792 11.780 -0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.139 14.307 -3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.600 11.326 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.531 13.859 -3.649 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.267 12.363 -1.837 1.00 0.00 H new ATOM 133 N ILE A 12 4.657 14.163 -0.548 1.00 0.00 N ATOM 134 CA ILE A 12 6.112 14.139 -0.467 1.00 0.00 C ATOM 135 C ILE A 12 6.654 12.740 -0.739 1.00 0.00 C ATOM 136 O ILE A 12 7.544 12.559 -1.569 1.00 0.00 O ATOM 137 CB ILE A 12 6.607 14.610 0.913 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.627 15.621 1.513 1.00 0.00 C ATOM 139 CG2 ILE A 12 7.997 15.217 0.798 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.310 16.776 0.590 1.00 0.00 C ATOM 0 H ILE A 12 4.182 13.942 0.327 1.00 0.00 H new ATOM 0 HA ILE A 12 6.482 14.824 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 12 6.662 13.747 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.701 15.108 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.044 16.012 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.333 15.545 1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.689 14.470 0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.966 16.071 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.610 17.452 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.228 17.314 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.864 16.396 -0.329 1.00 0.00 H new ATOM 152 N GLU A 13 6.110 11.753 -0.033 1.00 0.00 N ATOM 153 CA GLU A 13 6.539 10.369 -0.200 1.00 0.00 C ATOM 154 C GLU A 13 5.488 9.561 -0.955 1.00 0.00 C ATOM 155 O GLU A 13 4.987 8.554 -0.457 1.00 0.00 O ATOM 156 CB GLU A 13 6.808 9.728 1.164 1.00 0.00 C ATOM 157 CG GLU A 13 8.194 10.025 1.713 1.00 0.00 C ATOM 158 CD GLU A 13 9.273 9.188 1.054 1.00 0.00 C ATOM 159 OE1 GLU A 13 9.506 9.366 -0.159 1.00 0.00 O ATOM 160 OE2 GLU A 13 9.887 8.355 1.754 1.00 0.00 O ATOM 0 H GLU A 13 5.373 11.886 0.659 1.00 0.00 H new ATOM 0 HA GLU A 13 7.460 10.368 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.061 10.081 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.683 8.648 1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.420 11.082 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.202 9.842 2.787 1.00 0.00 H new ATOM 167 N GLY A 14 5.160 10.010 -2.163 1.00 0.00 N ATOM 168 CA GLY A 14 4.170 9.318 -2.968 1.00 0.00 C ATOM 169 C GLY A 14 4.209 7.816 -2.770 1.00 0.00 C ATOM 170 O GLY A 14 5.276 7.203 -2.826 1.00 0.00 O ATOM 0 H GLY A 14 5.562 10.840 -2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.177 9.689 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.337 9.547 -4.020 1.00 0.00 H new ATOM 174 N LEU A 15 3.045 7.221 -2.536 1.00 0.00 N ATOM 175 CA LEU A 15 2.950 5.781 -2.327 1.00 0.00 C ATOM 176 C LEU A 15 3.974 5.038 -3.179 1.00 0.00 C ATOM 177 O LEU A 15 4.238 5.417 -4.320 1.00 0.00 O ATOM 178 CB LEU A 15 1.540 5.289 -2.659 1.00 0.00 C ATOM 179 CG LEU A 15 0.425 5.768 -1.728 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.926 5.263 -2.210 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.689 5.311 -0.301 1.00 0.00 C ATOM 0 H LEU A 15 2.153 7.714 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 15 3.162 5.577 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.297 5.602 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.547 4.199 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 15 0.409 6.858 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.707 5.614 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.118 5.640 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.923 4.173 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.114 5.661 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.733 4.222 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.638 5.722 0.043 1.00 0.00 H new ATOM 193 N ARG A 16 4.545 3.977 -2.619 1.00 0.00 N ATOM 194 CA ARG A 16 5.539 3.181 -3.328 1.00 0.00 C ATOM 195 C ARG A 16 5.056 1.745 -3.509 1.00 0.00 C ATOM 196 O ARG A 16 4.295 1.227 -2.693 1.00 0.00 O ATOM 197 CB ARG A 16 6.868 3.191 -2.569 1.00 0.00 C ATOM 198 CG ARG A 16 6.757 2.687 -1.139 1.00 0.00 C ATOM 199 CD ARG A 16 6.980 1.185 -1.060 1.00 0.00 C ATOM 200 NE ARG A 16 8.393 0.835 -1.167 1.00 0.00 N ATOM 201 CZ ARG A 16 8.837 -0.415 -1.246 1.00 0.00 C ATOM 202 NH1 ARG A 16 7.982 -1.428 -1.231 1.00 0.00 N ATOM 203 NH2 ARG A 16 10.139 -0.653 -1.341 1.00 0.00 N ATOM 0 H ARG A 16 4.336 3.649 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 16 5.687 3.624 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.589 2.575 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.262 4.207 -2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.489 3.198 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.772 2.931 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.584 0.809 -0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.423 0.694 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 16 9.077 1.591 -1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.980 -1.249 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.326 -2.386 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.800 0.124 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.479 -1.613 -1.402 1.00 0.00 H new ATOM 217 N ASN A 17 5.504 1.107 -4.586 1.00 0.00 N ATOM 218 CA ASN A 17 5.117 -0.269 -4.876 1.00 0.00 C ATOM 219 C ASN A 17 5.204 -1.134 -3.622 1.00 0.00 C ATOM 220 O ASN A 17 6.288 -1.358 -3.086 1.00 0.00 O ATOM 221 CB ASN A 17 6.009 -0.851 -5.974 1.00 0.00 C ATOM 222 CG ASN A 17 7.482 -0.606 -5.713 1.00 0.00 C ATOM 223 OD1 ASN A 17 8.057 0.367 -6.200 1.00 0.00 O ATOM 224 ND2 ASN A 17 8.101 -1.492 -4.940 1.00 0.00 N ATOM 0 H ASN A 17 6.135 1.521 -5.272 1.00 0.00 H new ATOM 0 HA ASN A 17 4.083 -0.265 -5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.830 -1.923 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.735 -0.411 -6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.093 -1.380 -4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.584 -2.284 -4.558 1.00 0.00 H new ATOM 231 N GLU A 18 4.054 -1.617 -3.162 1.00 0.00 N ATOM 232 CA GLU A 18 4.001 -2.458 -1.972 1.00 0.00 C ATOM 233 C GLU A 18 3.781 -3.920 -2.348 1.00 0.00 C ATOM 234 O GLU A 18 2.721 -4.288 -2.854 1.00 0.00 O ATOM 235 CB GLU A 18 2.885 -1.986 -1.037 1.00 0.00 C ATOM 236 CG GLU A 18 2.981 -2.565 0.365 1.00 0.00 C ATOM 237 CD GLU A 18 3.350 -4.035 0.365 1.00 0.00 C ATOM 238 OE1 GLU A 18 2.492 -4.862 -0.010 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.496 -4.360 0.740 1.00 0.00 O ATOM 0 H GLU A 18 3.147 -1.440 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 18 4.957 -2.374 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.911 -0.898 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.922 -2.258 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.725 -2.008 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.026 -2.434 0.874 1.00 0.00 H new ATOM 246 N GLU A 19 4.790 -4.748 -2.096 1.00 0.00 N ATOM 247 CA GLU A 19 4.707 -6.170 -2.409 1.00 0.00 C ATOM 248 C GLU A 19 4.543 -6.999 -1.138 1.00 0.00 C ATOM 249 O GLU A 19 5.463 -7.096 -0.326 1.00 0.00 O ATOM 250 CB GLU A 19 5.956 -6.622 -3.169 1.00 0.00 C ATOM 251 CG GLU A 19 6.027 -8.124 -3.384 1.00 0.00 C ATOM 252 CD GLU A 19 7.435 -8.604 -3.682 1.00 0.00 C ATOM 253 OE1 GLU A 19 8.114 -7.968 -4.515 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.856 -9.615 -3.083 1.00 0.00 O ATOM 0 H GLU A 19 5.674 -4.459 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 19 3.831 -6.326 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.982 -6.123 -4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.841 -6.300 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.654 -8.633 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.370 -8.401 -4.209 1.00 0.00 H new ATOM 261 N ALA A 20 3.367 -7.594 -0.974 1.00 0.00 N ATOM 262 CA ALA A 20 3.083 -8.415 0.196 1.00 0.00 C ATOM 263 C ALA A 20 2.655 -9.821 -0.210 1.00 0.00 C ATOM 264 O ALA A 20 2.520 -10.122 -1.397 1.00 0.00 O ATOM 265 CB ALA A 20 2.008 -7.761 1.052 1.00 0.00 C ATOM 0 H ALA A 20 2.595 -7.523 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 20 3.999 -8.497 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.806 -8.385 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.351 -6.780 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.095 -7.648 0.467 1.00 0.00 H new ATOM 271 N THR A 21 2.443 -10.680 0.782 1.00 0.00 N ATOM 272 CA THR A 21 2.033 -12.055 0.527 1.00 0.00 C ATOM 273 C THR A 21 0.573 -12.273 0.907 1.00 0.00 C ATOM 274 O THR A 21 0.137 -11.872 1.986 1.00 0.00 O ATOM 275 CB THR A 21 2.908 -13.056 1.305 1.00 0.00 C ATOM 276 OG1 THR A 21 4.279 -12.915 0.914 1.00 0.00 O ATOM 277 CG2 THR A 21 2.449 -14.485 1.055 1.00 0.00 C ATOM 0 H THR A 21 2.549 -10.448 1.770 1.00 0.00 H new ATOM 0 HA THR A 21 2.158 -12.228 -0.542 1.00 0.00 H new ATOM 0 HB THR A 21 2.809 -12.840 2.369 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.829 -13.553 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.082 -15.174 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.415 -14.597 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.521 -14.709 -0.009 1.00 0.00 H new ATOM 285 N GLU A 22 -0.178 -12.909 0.014 1.00 0.00 N ATOM 286 CA GLU A 22 -1.590 -13.179 0.258 1.00 0.00 C ATOM 287 C GLU A 22 -1.821 -13.605 1.705 1.00 0.00 C ATOM 288 O GLU A 22 -0.988 -14.284 2.304 1.00 0.00 O ATOM 289 CB GLU A 22 -2.096 -14.267 -0.692 1.00 0.00 C ATOM 290 CG GLU A 22 -3.603 -14.254 -0.886 1.00 0.00 C ATOM 291 CD GLU A 22 -4.331 -15.086 0.151 1.00 0.00 C ATOM 292 OE1 GLU A 22 -4.415 -16.319 -0.028 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.818 -14.504 1.144 1.00 0.00 O ATOM 0 H GLU A 22 0.167 -13.247 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.146 -12.259 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.612 -14.145 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.796 -15.242 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.963 -13.226 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.841 -14.630 -1.881 1.00 0.00 H new ATOM 300 N GLY A 23 -2.959 -13.200 2.261 1.00 0.00 N ATOM 301 CA GLY A 23 -3.279 -13.548 3.633 1.00 0.00 C ATOM 302 C GLY A 23 -2.658 -12.594 4.633 1.00 0.00 C ATOM 303 O GLY A 23 -3.055 -12.560 5.798 1.00 0.00 O ATOM 0 H GLY A 23 -3.665 -12.637 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.361 -13.550 3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.932 -14.561 3.838 1.00 0.00 H new ATOM 307 N ASP A 24 -1.680 -11.818 4.179 1.00 0.00 N ATOM 308 CA ASP A 24 -1.001 -10.859 5.043 1.00 0.00 C ATOM 309 C ASP A 24 -1.807 -9.569 5.161 1.00 0.00 C ATOM 310 O ASP A 24 -2.924 -9.472 4.652 1.00 0.00 O ATOM 311 CB ASP A 24 0.397 -10.554 4.504 1.00 0.00 C ATOM 312 CG ASP A 24 1.341 -10.065 5.584 1.00 0.00 C ATOM 313 OD1 ASP A 24 1.141 -10.437 6.760 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.281 -9.312 5.255 1.00 0.00 O ATOM 0 H ASP A 24 -1.340 -11.834 3.218 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.910 -11.302 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.810 -11.452 4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.324 -9.800 3.721 1.00 0.00 H new ATOM 319 N THR A 25 -1.233 -8.578 5.836 1.00 0.00 N ATOM 320 CA THR A 25 -1.897 -7.294 6.023 1.00 0.00 C ATOM 321 C THR A 25 -1.038 -6.149 5.502 1.00 0.00 C ATOM 322 O THR A 25 -0.200 -5.610 6.225 1.00 0.00 O ATOM 323 CB THR A 25 -2.225 -7.042 7.507 1.00 0.00 C ATOM 324 OG1 THR A 25 -2.974 -8.141 8.038 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.016 -5.754 7.675 1.00 0.00 C ATOM 0 H THR A 25 -0.309 -8.640 6.263 1.00 0.00 H new ATOM 0 HA THR A 25 -2.826 -7.334 5.455 1.00 0.00 H new ATOM 0 HB THR A 25 -1.286 -6.947 8.052 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.177 -7.973 8.982 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.236 -5.597 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.430 -4.916 7.298 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.949 -5.825 7.117 1.00 0.00 H new ATOM 333 N ALA A 26 -1.250 -5.781 4.243 1.00 0.00 N ATOM 334 CA ALA A 26 -0.496 -4.697 3.626 1.00 0.00 C ATOM 335 C ALA A 26 -0.693 -3.389 4.386 1.00 0.00 C ATOM 336 O ALA A 26 -1.733 -3.169 5.006 1.00 0.00 O ATOM 337 CB ALA A 26 -0.907 -4.530 2.170 1.00 0.00 C ATOM 0 H ALA A 26 -1.938 -6.218 3.630 1.00 0.00 H new ATOM 0 HA ALA A 26 0.562 -4.955 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.336 -3.717 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.709 -5.455 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.971 -4.299 2.116 1.00 0.00 H new ATOM 343 N THR A 27 0.315 -2.523 4.335 1.00 0.00 N ATOM 344 CA THR A 27 0.254 -1.238 5.020 1.00 0.00 C ATOM 345 C THR A 27 0.977 -0.157 4.226 1.00 0.00 C ATOM 346 O THR A 27 2.208 -0.113 4.195 1.00 0.00 O ATOM 347 CB THR A 27 0.870 -1.323 6.429 1.00 0.00 C ATOM 348 OG1 THR A 27 0.231 -2.361 7.182 1.00 0.00 O ATOM 349 CG2 THR A 27 0.730 0.002 7.162 1.00 0.00 C ATOM 0 H THR A 27 1.183 -2.689 3.826 1.00 0.00 H new ATOM 0 HA THR A 27 -0.800 -0.976 5.108 1.00 0.00 H new ATOM 0 HB THR A 27 1.931 -1.551 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.630 -2.409 8.076 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.172 -0.083 8.155 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.243 0.784 6.602 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.326 0.256 7.256 1.00 0.00 H new ATOM 357 N LEU A 28 0.206 0.716 3.586 1.00 0.00 N ATOM 358 CA LEU A 28 0.774 1.799 2.792 1.00 0.00 C ATOM 359 C LEU A 28 0.694 3.125 3.543 1.00 0.00 C ATOM 360 O LEU A 28 -0.299 3.412 4.211 1.00 0.00 O ATOM 361 CB LEU A 28 0.043 1.914 1.453 1.00 0.00 C ATOM 362 CG LEU A 28 0.226 0.743 0.486 1.00 0.00 C ATOM 363 CD1 LEU A 28 -1.006 0.577 -0.390 1.00 0.00 C ATOM 364 CD2 LEU A 28 1.468 0.948 -0.370 1.00 0.00 C ATOM 0 H LEU A 28 -0.814 0.695 3.602 1.00 0.00 H new ATOM 0 HA LEU A 28 1.823 1.569 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.022 2.032 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.377 2.825 0.956 1.00 0.00 H new ATOM 0 HG LEU A 28 0.357 -0.168 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.858 -0.261 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.876 0.384 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.169 1.488 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.583 0.106 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.366 1.869 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.346 1.017 0.273 1.00 0.00 H new ATOM 376 N TRP A 29 1.745 3.929 3.426 1.00 0.00 N ATOM 377 CA TRP A 29 1.792 5.225 4.092 1.00 0.00 C ATOM 378 C TRP A 29 2.465 6.268 3.207 1.00 0.00 C ATOM 379 O TRP A 29 3.319 5.938 2.383 1.00 0.00 O ATOM 380 CB TRP A 29 2.538 5.111 5.423 1.00 0.00 C ATOM 381 CG TRP A 29 4.028 5.095 5.269 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.843 3.999 5.293 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.882 6.227 5.071 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.151 4.382 5.121 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.202 5.744 4.981 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.659 7.602 4.957 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.292 6.588 4.785 1.00 0.00 C ATOM 388 CZ3 TRP A 29 5.742 8.438 4.763 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.044 7.929 4.678 1.00 0.00 C ATOM 0 H TRP A 29 2.575 3.706 2.877 1.00 0.00 H new ATOM 0 HA TRP A 29 0.767 5.544 4.283 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.255 5.947 6.063 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.223 4.200 5.931 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.508 2.981 5.427 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.954 3.754 5.101 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.658 8.004 5.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.297 6.198 4.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.582 9.502 4.675 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.869 8.609 4.525 1.00 0.00 H new ATOM 400 N CYS A 30 2.076 7.526 3.381 1.00 0.00 N ATOM 401 CA CYS A 30 2.642 8.617 2.597 1.00 0.00 C ATOM 402 C CYS A 30 2.764 9.885 3.436 1.00 0.00 C ATOM 403 O CYS A 30 2.241 9.956 4.548 1.00 0.00 O ATOM 404 CB CYS A 30 1.778 8.889 1.364 1.00 0.00 C ATOM 405 SG CYS A 30 0.116 9.489 1.745 1.00 0.00 S ATOM 0 H CYS A 30 1.371 7.816 4.058 1.00 0.00 H new ATOM 0 HA CYS A 30 3.640 8.319 2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.282 9.623 0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.697 7.972 0.781 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.536 9.692 0.639 1.00 0.00 H new ATOM 411 N GLU A 31 3.459 10.882 2.897 1.00 0.00 N ATOM 412 CA GLU A 31 3.651 12.145 3.599 1.00 0.00 C ATOM 413 C GLU A 31 2.916 13.279 2.889 1.00 0.00 C ATOM 414 O GLU A 31 2.685 13.224 1.680 1.00 0.00 O ATOM 415 CB GLU A 31 5.141 12.475 3.702 1.00 0.00 C ATOM 416 CG GLU A 31 5.427 13.775 4.435 1.00 0.00 C ATOM 417 CD GLU A 31 6.882 13.908 4.842 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.305 13.197 5.777 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.598 14.724 4.224 1.00 0.00 O ATOM 0 H GLU A 31 3.898 10.839 1.977 1.00 0.00 H new ATOM 0 HA GLU A 31 3.239 12.040 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.651 11.659 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.562 12.533 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.154 14.615 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.798 13.832 5.324 1.00 0.00 H new ATOM 426 N LEU A 32 2.550 14.306 3.648 1.00 0.00 N ATOM 427 CA LEU A 32 1.841 15.453 3.094 1.00 0.00 C ATOM 428 C LEU A 32 2.565 16.754 3.426 1.00 0.00 C ATOM 429 O LEU A 32 3.127 16.904 4.511 1.00 0.00 O ATOM 430 CB LEU A 32 0.410 15.501 3.631 1.00 0.00 C ATOM 431 CG LEU A 32 -0.604 16.259 2.773 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.692 15.647 1.384 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.971 16.265 3.443 1.00 0.00 C ATOM 0 H LEU A 32 2.733 14.367 4.650 1.00 0.00 H new ATOM 0 HA LEU A 32 1.812 15.342 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.056 14.478 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.430 15.956 4.621 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.266 17.290 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.418 16.200 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.285 15.696 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.005 14.606 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.680 16.809 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.316 15.239 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.897 16.751 4.416 1.00 0.00 H new ATOM 445 N SER A 33 2.546 17.693 2.485 1.00 0.00 N ATOM 446 CA SER A 33 3.202 18.981 2.678 1.00 0.00 C ATOM 447 C SER A 33 2.398 19.864 3.627 1.00 0.00 C ATOM 448 O SER A 33 2.906 20.854 4.154 1.00 0.00 O ATOM 449 CB SER A 33 3.384 19.690 1.334 1.00 0.00 C ATOM 450 OG SER A 33 2.263 20.501 1.029 1.00 0.00 O ATOM 0 H SER A 33 2.084 17.586 1.582 1.00 0.00 H new ATOM 0 HA SER A 33 4.181 18.800 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.284 20.304 1.362 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.527 18.951 0.546 1.00 0.00 H new ATOM 0 HG SER A 33 2.468 21.064 0.254 1.00 0.00 H new ATOM 456 N LYS A 34 1.138 19.499 3.839 1.00 0.00 N ATOM 457 CA LYS A 34 0.261 20.256 4.725 1.00 0.00 C ATOM 458 C LYS A 34 -0.759 19.339 5.393 1.00 0.00 C ATOM 459 O LYS A 34 -1.393 18.516 4.734 1.00 0.00 O ATOM 460 CB LYS A 34 -0.460 21.356 3.944 1.00 0.00 C ATOM 461 CG LYS A 34 -1.654 21.941 4.680 1.00 0.00 C ATOM 462 CD LYS A 34 -1.218 22.817 5.843 1.00 0.00 C ATOM 463 CE LYS A 34 -2.349 23.717 6.317 1.00 0.00 C ATOM 464 NZ LYS A 34 -2.858 24.591 5.224 1.00 0.00 N ATOM 0 H LYS A 34 0.701 18.684 3.409 1.00 0.00 H new ATOM 0 HA LYS A 34 0.875 20.713 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.247 22.155 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.795 20.952 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.257 22.528 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.287 21.134 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.882 22.188 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.367 23.428 5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.164 23.104 6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.999 24.336 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.276 25.451 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.072 24.853 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.582 24.080 4.679 1.00 0.00 H new ATOM 478 N ALA A 35 -0.914 19.490 6.704 1.00 0.00 N ATOM 479 CA ALA A 35 -1.860 18.678 7.460 1.00 0.00 C ATOM 480 C ALA A 35 -3.277 18.843 6.922 1.00 0.00 C ATOM 481 O ALA A 35 -3.885 19.904 7.063 1.00 0.00 O ATOM 482 CB ALA A 35 -1.808 19.043 8.936 1.00 0.00 C ATOM 0 H ALA A 35 -0.397 20.167 7.265 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.575 17.632 7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.519 18.429 9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.803 18.867 9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.064 20.095 9.060 1.00 0.00 H new ATOM 488 N ALA A 36 -3.798 17.788 6.304 1.00 0.00 N ATOM 489 CA ALA A 36 -5.144 17.816 5.746 1.00 0.00 C ATOM 490 C ALA A 36 -5.712 16.408 5.611 1.00 0.00 C ATOM 491 O ALA A 36 -4.980 15.428 5.466 1.00 0.00 O ATOM 492 CB ALA A 36 -5.141 18.519 4.396 1.00 0.00 C ATOM 0 H ALA A 36 -3.308 16.903 6.177 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.783 18.372 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.153 18.533 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.786 19.542 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.482 17.986 3.710 1.00 0.00 H new ATOM 498 N PRO A 37 -7.048 16.300 5.658 1.00 0.00 N ATOM 499 CA PRO A 37 -7.744 15.015 5.543 1.00 0.00 C ATOM 500 C PRO A 37 -7.649 14.429 4.138 1.00 0.00 C ATOM 501 O PRO A 37 -8.213 14.972 3.188 1.00 0.00 O ATOM 502 CB PRO A 37 -9.195 15.366 5.879 1.00 0.00 C ATOM 503 CG PRO A 37 -9.324 16.811 5.539 1.00 0.00 C ATOM 504 CD PRO A 37 -7.983 17.425 5.828 1.00 0.00 C ATOM 0 HA PRO A 37 -7.312 14.257 6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.893 14.760 5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.412 15.186 6.932 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.596 16.943 4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.106 17.284 6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.759 18.241 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.938 17.836 6.837 1.00 0.00 H new ATOM 512 N VAL A 38 -6.932 13.316 4.013 1.00 0.00 N ATOM 513 CA VAL A 38 -6.764 12.655 2.725 1.00 0.00 C ATOM 514 C VAL A 38 -7.796 11.549 2.536 1.00 0.00 C ATOM 515 O VAL A 38 -8.578 11.257 3.440 1.00 0.00 O ATOM 516 CB VAL A 38 -5.353 12.056 2.581 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.293 13.124 2.806 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.166 10.896 3.547 1.00 0.00 C ATOM 0 H VAL A 38 -6.458 12.854 4.789 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.907 13.416 1.958 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.241 11.676 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.302 12.682 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.416 13.919 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.400 13.538 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.163 10.485 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.298 11.249 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.903 10.122 3.333 1.00 0.00 H new ATOM 528 N GLU A 39 -7.791 10.937 1.356 1.00 0.00 N ATOM 529 CA GLU A 39 -8.728 9.862 1.050 1.00 0.00 C ATOM 530 C GLU A 39 -8.063 8.789 0.193 1.00 0.00 C ATOM 531 O GLU A 39 -7.292 9.095 -0.717 1.00 0.00 O ATOM 532 CB GLU A 39 -9.957 10.418 0.328 1.00 0.00 C ATOM 533 CG GLU A 39 -10.916 9.343 -0.155 1.00 0.00 C ATOM 534 CD GLU A 39 -11.870 8.882 0.930 1.00 0.00 C ATOM 535 OE1 GLU A 39 -11.417 8.705 2.081 1.00 0.00 O ATOM 536 OE2 GLU A 39 -13.068 8.698 0.630 1.00 0.00 O ATOM 0 H GLU A 39 -7.149 11.167 0.597 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.042 9.409 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.488 11.092 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.629 11.011 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.489 9.726 -0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.345 8.489 -0.519 1.00 0.00 H new ATOM 543 N TRP A 40 -8.366 7.531 0.492 1.00 0.00 N ATOM 544 CA TRP A 40 -7.797 6.411 -0.251 1.00 0.00 C ATOM 545 C TRP A 40 -8.827 5.808 -1.200 1.00 0.00 C ATOM 546 O TRP A 40 -10.025 5.820 -0.919 1.00 0.00 O ATOM 547 CB TRP A 40 -7.286 5.340 0.714 1.00 0.00 C ATOM 548 CG TRP A 40 -6.165 5.814 1.589 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.253 6.697 2.627 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.788 5.432 1.500 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.013 6.887 3.189 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.098 6.122 2.516 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.072 4.573 0.662 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.727 5.978 2.714 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.711 4.432 0.860 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.051 5.131 1.879 1.00 0.00 C ATOM 0 H TRP A 40 -9.002 7.260 1.243 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.962 6.786 -0.842 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.111 5.004 1.343 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.950 4.476 0.141 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.163 7.176 2.958 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.808 7.499 3.979 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.572 4.029 -0.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.216 6.516 3.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.147 3.772 0.218 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.987 4.999 2.008 1.00 0.00 H new ATOM 567 N ARG A 41 -8.352 5.282 -2.324 1.00 0.00 N ATOM 568 CA ARG A 41 -9.233 4.676 -3.315 1.00 0.00 C ATOM 569 C ARG A 41 -8.624 3.391 -3.870 1.00 0.00 C ATOM 570 O ARG A 41 -7.438 3.345 -4.199 1.00 0.00 O ATOM 571 CB ARG A 41 -9.505 5.658 -4.456 1.00 0.00 C ATOM 572 CG ARG A 41 -10.187 6.940 -4.006 1.00 0.00 C ATOM 573 CD ARG A 41 -10.190 7.986 -5.109 1.00 0.00 C ATOM 574 NE ARG A 41 -11.335 7.835 -6.003 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.385 8.349 -7.227 1.00 0.00 C ATOM 576 NH1 ARG A 41 -10.359 9.043 -7.700 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.462 8.169 -7.981 1.00 0.00 N ATOM 0 H ARG A 41 -7.363 5.263 -2.571 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.175 4.430 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.562 5.909 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.128 5.169 -5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.212 6.722 -3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.676 7.336 -3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.206 8.981 -4.665 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.268 7.908 -5.685 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.141 7.306 -5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.529 9.183 -7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.400 9.437 -8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.253 7.635 -7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.499 8.564 -8.921 1.00 0.00 H new ATOM 591 N LYS A 42 -9.442 2.350 -3.972 1.00 0.00 N ATOM 592 CA LYS A 42 -8.986 1.065 -4.487 1.00 0.00 C ATOM 593 C LYS A 42 -9.643 0.752 -5.828 1.00 0.00 C ATOM 594 O LYS A 42 -10.703 0.130 -5.881 1.00 0.00 O ATOM 595 CB LYS A 42 -9.295 -0.049 -3.484 1.00 0.00 C ATOM 596 CG LYS A 42 -8.885 -1.431 -3.964 1.00 0.00 C ATOM 597 CD LYS A 42 -9.637 -2.524 -3.225 1.00 0.00 C ATOM 598 CE LYS A 42 -9.080 -3.902 -3.549 1.00 0.00 C ATOM 599 NZ LYS A 42 -10.101 -4.970 -3.366 1.00 0.00 N ATOM 0 H LYS A 42 -10.426 2.371 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.908 1.124 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.784 0.167 -2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.364 -0.050 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.075 -1.517 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.813 -1.564 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.574 -2.348 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.693 -2.485 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.721 -3.916 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.222 -4.107 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.657 -5.804 -2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.861 -4.622 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.500 -5.231 -4.290 1.00 0.00 H new ATOM 613 N GLY A 43 -9.005 1.188 -6.911 1.00 0.00 N ATOM 614 CA GLY A 43 -9.542 0.944 -8.237 1.00 0.00 C ATOM 615 C GLY A 43 -10.737 1.822 -8.549 1.00 0.00 C ATOM 616 O GLY A 43 -10.653 3.048 -8.468 1.00 0.00 O ATOM 0 H GLY A 43 -8.126 1.706 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.763 1.119 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.833 -0.103 -8.321 1.00 0.00 H new ATOM 620 N HIS A 44 -11.852 1.195 -8.909 1.00 0.00 N ATOM 621 CA HIS A 44 -13.070 1.928 -9.237 1.00 0.00 C ATOM 622 C HIS A 44 -13.960 2.079 -8.007 1.00 0.00 C ATOM 623 O HIS A 44 -15.176 1.904 -8.084 1.00 0.00 O ATOM 624 CB HIS A 44 -13.836 1.215 -10.351 1.00 0.00 C ATOM 625 CG HIS A 44 -13.184 1.330 -11.694 1.00 0.00 C ATOM 626 ND1 HIS A 44 -13.636 2.183 -12.679 1.00 0.00 N ATOM 627 CD2 HIS A 44 -12.108 0.695 -12.213 1.00 0.00 C ATOM 628 CE1 HIS A 44 -12.866 2.066 -13.747 1.00 0.00 C ATOM 629 NE2 HIS A 44 -11.931 1.169 -13.490 1.00 0.00 N ATOM 0 H HIS A 44 -11.938 0.181 -8.981 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.785 2.922 -9.582 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.937 0.160 -10.094 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.844 1.627 -10.409 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.501 -0.047 -11.716 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.982 2.611 -14.672 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.197 0.876 -14.135 1.00 0.00 H new ATOM 638 N GLU A 45 -13.346 2.405 -6.874 1.00 0.00 N ATOM 639 CA GLU A 45 -14.084 2.577 -5.628 1.00 0.00 C ATOM 640 C GLU A 45 -13.230 3.292 -4.584 1.00 0.00 C ATOM 641 O GLU A 45 -12.004 3.175 -4.582 1.00 0.00 O ATOM 642 CB GLU A 45 -14.540 1.220 -5.087 1.00 0.00 C ATOM 643 CG GLU A 45 -15.417 1.322 -3.851 1.00 0.00 C ATOM 644 CD GLU A 45 -16.868 1.605 -4.186 1.00 0.00 C ATOM 645 OE1 GLU A 45 -17.291 1.278 -5.315 1.00 0.00 O ATOM 646 OE2 GLU A 45 -17.581 2.153 -3.320 1.00 0.00 O ATOM 0 H GLU A 45 -12.340 2.555 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.961 3.190 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.087 0.692 -5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.662 0.619 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.353 0.391 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.037 2.113 -3.205 1.00 0.00 H new ATOM 653 N THR A 46 -13.887 4.034 -3.698 1.00 0.00 N ATOM 654 CA THR A 46 -13.190 4.769 -2.650 1.00 0.00 C ATOM 655 C THR A 46 -13.225 4.009 -1.329 1.00 0.00 C ATOM 656 O THR A 46 -14.296 3.703 -0.805 1.00 0.00 O ATOM 657 CB THR A 46 -13.803 6.167 -2.442 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.904 6.849 -3.697 1.00 0.00 O ATOM 659 CG2 THR A 46 -12.961 6.989 -1.478 1.00 0.00 C ATOM 0 H THR A 46 -14.901 4.142 -3.685 1.00 0.00 H new ATOM 0 HA THR A 46 -12.155 4.879 -2.975 1.00 0.00 H new ATOM 0 HB THR A 46 -14.798 6.044 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.296 7.736 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.413 7.972 -1.347 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.911 6.481 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.955 7.104 -1.881 1.00 0.00 H new ATOM 667 N LEU A 47 -12.046 3.708 -0.795 1.00 0.00 N ATOM 668 CA LEU A 47 -11.942 2.984 0.468 1.00 0.00 C ATOM 669 C LEU A 47 -12.614 3.758 1.597 1.00 0.00 C ATOM 670 O LEU A 47 -12.673 4.987 1.571 1.00 0.00 O ATOM 671 CB LEU A 47 -10.473 2.729 0.812 1.00 0.00 C ATOM 672 CG LEU A 47 -9.748 1.701 -0.057 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.326 1.491 0.438 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.510 0.383 -0.072 1.00 0.00 C ATOM 0 H LEU A 47 -11.150 3.953 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.454 2.028 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.936 3.675 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.415 2.402 1.850 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.703 2.083 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.826 0.756 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.783 2.435 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.348 1.131 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.980 -0.337 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.587 -0.004 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.510 0.545 -0.475 1.00 0.00 H new ATOM 686 N ARG A 48 -13.118 3.030 2.588 1.00 0.00 N ATOM 687 CA ARG A 48 -13.785 3.648 3.728 1.00 0.00 C ATOM 688 C ARG A 48 -13.549 2.840 5.000 1.00 0.00 C ATOM 689 O ARG A 48 -13.555 1.609 4.975 1.00 0.00 O ATOM 690 CB ARG A 48 -15.286 3.774 3.461 1.00 0.00 C ATOM 691 CG ARG A 48 -15.620 4.639 2.256 1.00 0.00 C ATOM 692 CD ARG A 48 -17.123 4.783 2.074 1.00 0.00 C ATOM 693 NE ARG A 48 -17.708 5.695 3.052 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.940 6.182 2.958 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.713 5.847 1.934 1.00 0.00 N ATOM 696 NH2 ARG A 48 -19.402 7.007 3.889 1.00 0.00 N ATOM 0 H ARG A 48 -13.077 2.011 2.625 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.363 4.643 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.704 2.779 3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.770 4.193 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.171 5.625 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.184 4.199 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.333 5.147 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.594 3.804 2.164 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.139 5.974 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.362 5.214 1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.659 6.223 1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.811 7.268 4.678 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.348 7.380 3.815 1.00 0.00 H new ATOM 710 N ASP A 49 -13.342 3.540 6.110 1.00 0.00 N ATOM 711 CA ASP A 49 -13.105 2.888 7.392 1.00 0.00 C ATOM 712 C ASP A 49 -14.131 1.787 7.640 1.00 0.00 C ATOM 713 O ASP A 49 -15.333 2.044 7.690 1.00 0.00 O ATOM 714 CB ASP A 49 -13.155 3.913 8.527 1.00 0.00 C ATOM 715 CG ASP A 49 -13.192 3.260 9.895 1.00 0.00 C ATOM 716 OD1 ASP A 49 -12.310 2.422 10.177 1.00 0.00 O ATOM 717 OD2 ASP A 49 -14.102 3.590 10.684 1.00 0.00 O ATOM 0 H ASP A 49 -13.334 4.559 6.147 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.113 2.436 7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.284 4.565 8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.035 4.544 8.405 1.00 0.00 H new ATOM 722 N GLY A 50 -13.648 0.557 7.793 1.00 0.00 N ATOM 723 CA GLY A 50 -14.536 -0.565 8.032 1.00 0.00 C ATOM 724 C GLY A 50 -13.951 -1.571 9.003 1.00 0.00 C ATOM 725 O GLY A 50 -13.312 -1.196 9.986 1.00 0.00 O ATOM 0 H GLY A 50 -12.657 0.318 7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.485 -0.197 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.752 -1.061 7.086 1.00 0.00 H new ATOM 729 N ASP A 51 -14.171 -2.852 8.729 1.00 0.00 N ATOM 730 CA ASP A 51 -13.661 -3.916 9.587 1.00 0.00 C ATOM 731 C ASP A 51 -12.275 -4.361 9.134 1.00 0.00 C ATOM 732 O ASP A 51 -11.329 -4.377 9.922 1.00 0.00 O ATOM 733 CB ASP A 51 -14.620 -5.107 9.582 1.00 0.00 C ATOM 734 CG ASP A 51 -14.636 -5.833 8.251 1.00 0.00 C ATOM 735 OD1 ASP A 51 -14.940 -5.186 7.227 1.00 0.00 O ATOM 736 OD2 ASP A 51 -14.345 -7.047 8.233 1.00 0.00 O ATOM 0 H ASP A 51 -14.699 -3.179 7.920 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.584 -3.526 10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.333 -5.804 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.627 -4.760 9.815 1.00 0.00 H new ATOM 741 N ARG A 52 -12.161 -4.724 7.860 1.00 0.00 N ATOM 742 CA ARG A 52 -10.891 -5.172 7.303 1.00 0.00 C ATOM 743 C ARG A 52 -10.171 -4.025 6.599 1.00 0.00 C ATOM 744 O ARG A 52 -9.591 -4.207 5.528 1.00 0.00 O ATOM 745 CB ARG A 52 -11.118 -6.325 6.323 1.00 0.00 C ATOM 746 CG ARG A 52 -11.099 -7.695 6.980 1.00 0.00 C ATOM 747 CD ARG A 52 -10.625 -8.769 6.014 1.00 0.00 C ATOM 748 NE ARG A 52 -11.221 -10.070 6.306 1.00 0.00 N ATOM 749 CZ ARG A 52 -10.852 -10.835 7.327 1.00 0.00 C ATOM 750 NH1 ARG A 52 -9.894 -10.431 8.150 1.00 0.00 N ATOM 751 NH2 ARG A 52 -11.443 -12.006 7.528 1.00 0.00 N ATOM 0 H ARG A 52 -12.934 -4.716 7.194 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.265 -5.521 8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.077 -6.184 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.349 -6.291 5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.444 -7.673 7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.098 -7.942 7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.876 -8.476 4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.539 -8.848 6.065 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.961 -10.410 5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.439 -9.531 8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.613 -11.020 8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.181 -12.319 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.159 -12.593 8.312 1.00 0.00 H new ATOM 765 N HIS A 53 -10.214 -2.844 7.207 1.00 0.00 N ATOM 766 CA HIS A 53 -9.566 -1.668 6.639 1.00 0.00 C ATOM 767 C HIS A 53 -9.385 -0.583 7.696 1.00 0.00 C ATOM 768 O HIS A 53 -10.196 -0.455 8.613 1.00 0.00 O ATOM 769 CB HIS A 53 -10.386 -1.124 5.468 1.00 0.00 C ATOM 770 CG HIS A 53 -10.322 -1.982 4.242 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.357 -2.800 3.841 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.339 -2.146 3.327 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.014 -3.431 2.733 1.00 0.00 C ATOM 774 NE2 HIS A 53 -9.793 -3.052 2.399 1.00 0.00 N ATOM 0 H HIS A 53 -10.691 -2.676 8.093 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.582 -1.965 6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.426 -1.025 5.778 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.031 -0.124 5.220 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.377 -1.656 3.326 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.627 -4.137 2.192 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.272 -3.379 1.585 1.00 0.00 H new ATOM 783 N SER A 54 -8.317 0.196 7.561 1.00 0.00 N ATOM 784 CA SER A 54 -8.027 1.267 8.507 1.00 0.00 C ATOM 785 C SER A 54 -7.504 2.505 7.784 1.00 0.00 C ATOM 786 O SER A 54 -6.374 2.521 7.296 1.00 0.00 O ATOM 787 CB SER A 54 -7.004 0.798 9.544 1.00 0.00 C ATOM 788 OG SER A 54 -7.526 -0.257 10.334 1.00 0.00 O ATOM 0 H SER A 54 -7.638 0.106 6.805 1.00 0.00 H new ATOM 0 HA SER A 54 -8.955 1.529 9.015 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.097 0.465 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.723 1.633 10.186 1.00 0.00 H new ATOM 0 HG SER A 54 -6.853 -0.540 10.988 1.00 0.00 H new ATOM 794 N LEU A 55 -8.335 3.539 7.719 1.00 0.00 N ATOM 795 CA LEU A 55 -7.958 4.782 7.056 1.00 0.00 C ATOM 796 C LEU A 55 -7.810 5.916 8.066 1.00 0.00 C ATOM 797 O LEU A 55 -8.798 6.409 8.610 1.00 0.00 O ATOM 798 CB LEU A 55 -9.001 5.157 6.001 1.00 0.00 C ATOM 799 CG LEU A 55 -9.131 4.200 4.816 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.161 3.121 5.111 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.502 4.963 3.552 1.00 0.00 C ATOM 0 H LEU A 55 -9.274 3.541 8.117 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.996 4.627 6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.972 5.232 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.760 6.148 5.617 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.166 3.718 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.240 2.449 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.853 2.555 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.130 3.584 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.590 4.266 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.454 5.473 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.728 5.698 3.330 1.00 0.00 H new ATOM 813 N ARG A 56 -6.569 6.325 8.310 1.00 0.00 N ATOM 814 CA ARG A 56 -6.292 7.401 9.254 1.00 0.00 C ATOM 815 C ARG A 56 -4.985 8.107 8.905 1.00 0.00 C ATOM 816 O ARG A 56 -4.188 7.602 8.115 1.00 0.00 O ATOM 817 CB ARG A 56 -6.221 6.852 10.680 1.00 0.00 C ATOM 818 CG ARG A 56 -5.412 5.571 10.800 1.00 0.00 C ATOM 819 CD ARG A 56 -5.489 4.993 12.205 1.00 0.00 C ATOM 820 NE ARG A 56 -4.472 5.559 13.086 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.085 4.990 14.223 1.00 0.00 C ATOM 822 NH1 ARG A 56 -4.628 3.845 14.613 1.00 0.00 N ATOM 823 NH2 ARG A 56 -3.153 5.567 14.971 1.00 0.00 N ATOM 0 H ARG A 56 -5.740 5.928 7.867 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.105 8.124 9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.784 7.610 11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.233 6.668 11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.781 4.838 10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.372 5.771 10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.478 5.185 12.622 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.367 3.911 12.159 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.034 6.439 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.344 3.399 14.040 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.329 3.410 15.486 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.733 6.448 14.673 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.856 5.130 15.844 1.00 0.00 H new ATOM 837 N GLN A 57 -4.774 9.278 9.498 1.00 0.00 N ATOM 838 CA GLN A 57 -3.565 10.053 9.248 1.00 0.00 C ATOM 839 C GLN A 57 -3.203 10.904 10.462 1.00 0.00 C ATOM 840 O GLN A 57 -4.078 11.457 11.127 1.00 0.00 O ATOM 841 CB GLN A 57 -3.751 10.947 8.021 1.00 0.00 C ATOM 842 CG GLN A 57 -4.379 12.295 8.340 1.00 0.00 C ATOM 843 CD GLN A 57 -4.463 13.201 7.127 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.428 13.148 6.365 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.450 14.039 6.943 1.00 0.00 N ATOM 0 H GLN A 57 -5.424 9.710 10.154 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.749 9.355 9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.782 11.109 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.376 10.427 7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.380 12.139 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.796 12.788 9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.670 14.049 7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.451 14.673 6.144 1.00 0.00 H new ATOM 854 N ASP A 58 -1.909 11.003 10.743 1.00 0.00 N ATOM 855 CA ASP A 58 -1.431 11.787 11.877 1.00 0.00 C ATOM 856 C ASP A 58 -0.810 13.099 11.407 1.00 0.00 C ATOM 857 O ASP A 58 0.307 13.119 10.892 1.00 0.00 O ATOM 858 CB ASP A 58 -0.409 10.985 12.684 1.00 0.00 C ATOM 859 CG ASP A 58 -0.345 11.423 14.134 1.00 0.00 C ATOM 860 OD1 ASP A 58 0.238 12.493 14.405 1.00 0.00 O ATOM 861 OD2 ASP A 58 -0.878 10.695 14.998 1.00 0.00 O ATOM 0 H ASP A 58 -1.172 10.551 10.202 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.285 12.018 12.514 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.664 9.926 12.638 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.576 11.096 12.230 1.00 0.00 H new ATOM 866 N GLY A 59 -1.543 14.193 11.587 1.00 0.00 N ATOM 867 CA GLY A 59 -1.049 15.494 11.175 1.00 0.00 C ATOM 868 C GLY A 59 -0.918 15.614 9.670 1.00 0.00 C ATOM 869 O GLY A 59 -1.859 16.021 8.989 1.00 0.00 O ATOM 0 H GLY A 59 -2.471 14.202 12.011 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.724 16.268 11.541 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.078 15.673 11.637 1.00 0.00 H new ATOM 873 N SER A 60 0.252 15.260 9.149 1.00 0.00 N ATOM 874 CA SER A 60 0.505 15.336 7.715 1.00 0.00 C ATOM 875 C SER A 60 1.014 14.000 7.181 1.00 0.00 C ATOM 876 O SER A 60 1.700 13.947 6.161 1.00 0.00 O ATOM 877 CB SER A 60 1.521 16.439 7.412 1.00 0.00 C ATOM 878 OG SER A 60 1.216 17.624 8.127 1.00 0.00 O ATOM 0 H SER A 60 1.040 14.918 9.699 1.00 0.00 H new ATOM 0 HA SER A 60 -0.436 15.572 7.218 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.522 16.098 7.677 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.528 16.648 6.342 1.00 0.00 H new ATOM 0 HG SER A 60 1.881 18.313 7.917 1.00 0.00 H new ATOM 884 N ARG A 61 0.671 12.922 7.880 1.00 0.00 N ATOM 885 CA ARG A 61 1.093 11.586 7.478 1.00 0.00 C ATOM 886 C ARG A 61 -0.105 10.648 7.365 1.00 0.00 C ATOM 887 O ARG A 61 -0.817 10.414 8.342 1.00 0.00 O ATOM 888 CB ARG A 61 2.101 11.023 8.483 1.00 0.00 C ATOM 889 CG ARG A 61 2.955 9.897 7.923 1.00 0.00 C ATOM 890 CD ARG A 61 3.376 8.923 9.012 1.00 0.00 C ATOM 891 NE ARG A 61 2.266 8.087 9.459 1.00 0.00 N ATOM 892 CZ ARG A 61 2.214 7.511 10.655 1.00 0.00 C ATOM 893 NH1 ARG A 61 3.204 7.681 11.520 1.00 0.00 N ATOM 894 NH2 ARG A 61 1.169 6.764 10.988 1.00 0.00 N ATOM 0 H ARG A 61 0.103 12.948 8.727 1.00 0.00 H new ATOM 0 HA ARG A 61 1.567 11.661 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.753 11.829 8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.564 10.659 9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.397 9.364 7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.841 10.314 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.180 8.289 8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.775 9.479 9.860 1.00 0.00 H new ATOM 0 HE ARG A 61 1.487 7.937 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.008 8.255 11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.161 7.238 12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.405 6.632 10.325 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.130 6.322 11.906 1.00 0.00 H new ATOM 908 N CYS A 62 -0.321 10.116 6.167 1.00 0.00 N ATOM 909 CA CYS A 62 -1.434 9.205 5.925 1.00 0.00 C ATOM 910 C CYS A 62 -0.984 7.753 6.042 1.00 0.00 C ATOM 911 O CYS A 62 0.152 7.417 5.709 1.00 0.00 O ATOM 912 CB CYS A 62 -2.033 9.455 4.540 1.00 0.00 C ATOM 913 SG CYS A 62 -1.918 11.172 3.985 1.00 0.00 S ATOM 0 H CYS A 62 0.260 10.300 5.349 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.195 9.393 6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.527 8.816 3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.081 9.157 4.550 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.148 11.239 2.940 1.00 0.00 H new ATOM 919 N GLU A 63 -1.882 6.897 6.520 1.00 0.00 N ATOM 920 CA GLU A 63 -1.574 5.481 6.684 1.00 0.00 C ATOM 921 C GLU A 63 -2.820 4.625 6.470 1.00 0.00 C ATOM 922 O GLU A 63 -3.840 4.816 7.134 1.00 0.00 O ATOM 923 CB GLU A 63 -0.996 5.219 8.076 1.00 0.00 C ATOM 924 CG GLU A 63 -0.139 3.967 8.154 1.00 0.00 C ATOM 925 CD GLU A 63 0.692 3.906 9.421 1.00 0.00 C ATOM 926 OE1 GLU A 63 0.151 4.226 10.500 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.882 3.540 9.334 1.00 0.00 O ATOM 0 H GLU A 63 -2.827 7.159 6.800 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.832 5.208 5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.398 6.078 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.815 5.133 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.781 3.088 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.522 3.929 7.288 1.00 0.00 H new ATOM 934 N LEU A 64 -2.730 3.682 5.539 1.00 0.00 N ATOM 935 CA LEU A 64 -3.849 2.797 5.235 1.00 0.00 C ATOM 936 C LEU A 64 -3.487 1.344 5.524 1.00 0.00 C ATOM 937 O LEU A 64 -2.342 0.932 5.342 1.00 0.00 O ATOM 938 CB LEU A 64 -4.263 2.950 3.771 1.00 0.00 C ATOM 939 CG LEU A 64 -5.142 1.835 3.202 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.552 1.926 3.767 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.169 1.901 1.682 1.00 0.00 C ATOM 0 H LEU A 64 -1.893 3.510 4.981 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.686 3.078 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.794 3.896 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.360 3.019 3.164 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.716 0.876 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.163 1.125 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.516 1.829 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.988 2.889 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.799 1.100 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.571 2.864 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.157 1.786 1.295 1.00 0.00 H new ATOM 953 N GLN A 65 -4.472 0.572 5.973 1.00 0.00 N ATOM 954 CA GLN A 65 -4.257 -0.836 6.285 1.00 0.00 C ATOM 955 C GLN A 65 -5.315 -1.709 5.619 1.00 0.00 C ATOM 956 O GLN A 65 -6.505 -1.395 5.657 1.00 0.00 O ATOM 957 CB GLN A 65 -4.278 -1.053 7.799 1.00 0.00 C ATOM 958 CG GLN A 65 -3.512 -2.287 8.248 1.00 0.00 C ATOM 959 CD GLN A 65 -3.594 -2.513 9.744 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.381 -3.333 10.218 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.779 -1.785 10.499 1.00 0.00 N ATOM 0 H GLN A 65 -5.426 0.898 6.129 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.280 -1.123 5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.856 -0.176 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.313 -1.137 8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.905 -3.162 7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.467 -2.187 7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.142 -1.117 10.065 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.790 -1.894 11.513 1.00 0.00 H new ATOM 970 N ILE A 66 -4.874 -2.804 5.011 1.00 0.00 N ATOM 971 CA ILE A 66 -5.783 -3.723 4.337 1.00 0.00 C ATOM 972 C ILE A 66 -5.657 -5.134 4.901 1.00 0.00 C ATOM 973 O ILE A 66 -4.755 -5.884 4.528 1.00 0.00 O ATOM 974 CB ILE A 66 -5.521 -3.763 2.820 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.761 -2.384 2.202 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.407 -4.807 2.157 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.159 -2.227 0.823 1.00 0.00 C ATOM 0 H ILE A 66 -3.892 -3.077 4.971 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.793 -3.353 4.513 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.480 -4.039 2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.834 -2.203 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.344 -1.622 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.210 -4.823 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.192 -5.788 2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.454 -4.558 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.368 -1.226 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.081 -2.376 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.594 -2.966 0.150 1.00 0.00 H new ATOM 989 N ARG A 67 -6.569 -5.489 5.800 1.00 0.00 N ATOM 990 CA ARG A 67 -6.561 -6.811 6.416 1.00 0.00 C ATOM 991 C ARG A 67 -7.082 -7.866 5.445 1.00 0.00 C ATOM 992 O ARG A 67 -8.135 -7.694 4.832 1.00 0.00 O ATOM 993 CB ARG A 67 -7.409 -6.810 7.688 1.00 0.00 C ATOM 994 CG ARG A 67 -6.672 -6.291 8.912 1.00 0.00 C ATOM 995 CD ARG A 67 -7.408 -6.641 10.196 1.00 0.00 C ATOM 996 NE ARG A 67 -7.495 -8.085 10.400 1.00 0.00 N ATOM 997 CZ ARG A 67 -8.268 -8.651 11.321 1.00 0.00 C ATOM 998 NH1 ARG A 67 -9.016 -7.900 12.116 1.00 0.00 N ATOM 999 NH2 ARG A 67 -8.293 -9.972 11.446 1.00 0.00 N ATOM 0 H ARG A 67 -7.323 -4.880 6.118 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.531 -7.057 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.296 -6.199 7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.754 -7.825 7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.668 -6.714 8.940 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.560 -5.209 8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.896 -6.185 11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.412 -6.218 10.165 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.932 -8.691 9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.000 -6.884 12.022 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.608 -8.337 12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.719 -10.553 10.835 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.886 -10.406 12.153 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.336 -8.959 5.310 1.00 0.00 N ATOM 1014 CA GLY A 68 -6.739 -10.025 4.411 1.00 0.00 C ATOM 1015 C GLY A 68 -6.429 -9.710 2.961 1.00 0.00 C ATOM 1016 O GLY A 68 -7.337 -9.514 2.153 1.00 0.00 O ATOM 0 H GLY A 68 -5.461 -9.125 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.232 -10.947 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.809 -10.203 4.520 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.143 -9.659 2.631 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.715 -9.363 1.268 1.00 0.00 C ATOM 1022 C LEU A 69 -5.251 -10.405 0.291 1.00 0.00 C ATOM 1023 O LEU A 69 -5.591 -11.520 0.682 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.187 -9.314 1.192 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.541 -7.974 1.544 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.026 -8.105 1.577 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -2.964 -6.901 0.551 1.00 0.00 C ATOM 0 H LEU A 69 -4.379 -9.819 3.288 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.118 -8.389 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.785 -10.075 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.884 -9.586 0.181 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.881 -7.677 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.583 -7.142 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.741 -8.843 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.667 -8.425 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.495 -5.954 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.653 -7.191 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.048 -6.789 0.576 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.321 -10.032 -0.983 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.811 -10.935 -2.017 1.00 0.00 C ATOM 1041 C ALA A 70 -5.259 -10.553 -3.386 1.00 0.00 C ATOM 1042 O ALA A 70 -4.889 -9.402 -3.619 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.332 -10.934 -2.040 1.00 0.00 C ATOM 0 H ALA A 70 -5.045 -9.111 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.463 -11.941 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.685 -11.613 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.711 -11.262 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.692 -9.926 -2.248 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.205 -11.527 -4.290 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.698 -11.292 -5.637 1.00 0.00 C ATOM 1051 C VAL A 71 -5.422 -10.127 -6.301 1.00 0.00 C ATOM 1052 O VAL A 71 -4.845 -9.407 -7.116 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.848 -12.546 -6.519 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.359 -12.266 -7.932 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.097 -13.720 -5.908 1.00 0.00 C ATOM 0 H VAL A 71 -5.506 -12.486 -4.114 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.640 -11.050 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.905 -12.808 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.473 -13.163 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.945 -11.456 -8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.308 -11.978 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.214 -14.597 -6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.039 -13.471 -5.824 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.499 -13.934 -4.918 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.690 -9.946 -5.947 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.494 -8.866 -6.508 1.00 0.00 C ATOM 1067 C VAL A 72 -7.077 -7.516 -5.935 1.00 0.00 C ATOM 1068 O VAL A 72 -7.202 -6.485 -6.595 1.00 0.00 O ATOM 1069 CB VAL A 72 -8.994 -9.085 -6.238 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.477 -10.363 -6.907 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.266 -9.121 -4.741 1.00 0.00 C ATOM 0 H VAL A 72 -7.183 -10.533 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.322 -8.869 -7.584 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.548 -8.249 -6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.539 -10.501 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.319 -10.293 -7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.920 -11.213 -6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.331 -9.277 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.702 -9.937 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.960 -8.176 -4.293 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.581 -7.530 -4.703 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.143 -6.307 -4.040 1.00 0.00 C ATOM 1083 C ASP A 73 -4.924 -5.716 -4.741 1.00 0.00 C ATOM 1084 O ASP A 73 -4.791 -4.497 -4.853 1.00 0.00 O ATOM 1085 CB ASP A 73 -5.818 -6.585 -2.572 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.045 -6.524 -1.685 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.083 -7.105 -2.067 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -6.970 -5.895 -0.609 1.00 0.00 O ATOM 0 H ASP A 73 -6.472 -8.375 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.956 -5.583 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.359 -7.570 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.084 -5.859 -2.222 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.038 -6.587 -5.211 1.00 0.00 N ATOM 1094 CA ALA A 74 -2.831 -6.151 -5.902 1.00 0.00 C ATOM 1095 C ALA A 74 -3.169 -5.484 -7.231 1.00 0.00 C ATOM 1096 O ALA A 74 -3.394 -6.158 -8.236 1.00 0.00 O ATOM 1097 CB ALA A 74 -1.894 -7.330 -6.124 1.00 0.00 C ATOM 0 H ALA A 74 -4.133 -7.599 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.329 -5.415 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.997 -6.989 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.617 -7.761 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.396 -8.085 -6.728 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.204 -4.155 -7.230 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.517 -3.420 -8.441 1.00 0.00 C ATOM 1105 C GLY A 75 -2.909 -2.032 -8.450 1.00 0.00 C ATOM 1106 O GLY A 75 -1.740 -1.862 -8.795 1.00 0.00 O ATOM 0 H GLY A 75 -3.021 -3.574 -6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.155 -3.978 -9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.599 -3.340 -8.544 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.704 -1.036 -8.071 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.236 0.345 -8.040 1.00 0.00 C ATOM 1112 C GLU A 76 -3.992 1.152 -6.989 1.00 0.00 C ATOM 1113 O GLU A 76 -5.168 1.474 -7.165 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.403 0.994 -9.416 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.979 2.453 -9.455 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.540 2.896 -10.838 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -3.200 2.505 -11.823 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -1.537 3.633 -10.933 1.00 0.00 O ATOM 0 H GLU A 76 -4.674 -1.159 -7.781 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.179 0.338 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.818 0.434 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.447 0.919 -9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.809 3.078 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.162 2.609 -8.751 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.310 1.476 -5.896 1.00 0.00 N ATOM 1126 CA TYR A 77 -3.917 2.242 -4.815 1.00 0.00 C ATOM 1127 C TYR A 77 -3.533 3.716 -4.910 1.00 0.00 C ATOM 1128 O TYR A 77 -2.352 4.063 -4.908 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.489 1.679 -3.459 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.132 0.351 -3.125 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.584 -0.842 -3.577 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.288 0.292 -2.356 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.169 -2.057 -3.275 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.879 -0.919 -2.047 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.316 -2.090 -2.510 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.900 -3.298 -2.205 1.00 0.00 O ATOM 0 H TYR A 77 -2.336 1.220 -5.736 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.000 2.160 -4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.405 1.561 -3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.738 2.400 -2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.685 -0.820 -4.175 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.732 1.207 -1.994 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.730 -2.976 -3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.776 -0.948 -1.447 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.779 -3.918 -2.954 1.00 0.00 H new ATOM 1146 N SER A 78 -4.541 4.579 -4.992 1.00 0.00 N ATOM 1147 CA SER A 78 -4.311 6.016 -5.090 1.00 0.00 C ATOM 1148 C SER A 78 -4.802 6.732 -3.836 1.00 0.00 C ATOM 1149 O SER A 78 -5.647 6.215 -3.104 1.00 0.00 O ATOM 1150 CB SER A 78 -5.015 6.583 -6.324 1.00 0.00 C ATOM 1151 OG SER A 78 -4.588 5.923 -7.504 1.00 0.00 O ATOM 0 H SER A 78 -5.524 4.308 -4.993 1.00 0.00 H new ATOM 0 HA SER A 78 -3.238 6.182 -5.184 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.094 6.474 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.809 7.650 -6.406 1.00 0.00 H new ATOM 0 HG SER A 78 -5.054 6.303 -8.278 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.267 7.923 -3.595 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.650 8.712 -2.429 1.00 0.00 C ATOM 1159 C CYS A 79 -4.928 10.160 -2.819 1.00 0.00 C ATOM 1160 O CYS A 79 -4.038 10.871 -3.284 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.549 8.659 -1.369 1.00 0.00 C ATOM 1162 SG CYS A 79 -4.150 8.828 0.328 1.00 0.00 S ATOM 0 H CYS A 79 -3.567 8.364 -4.191 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.564 8.285 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.015 7.713 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.829 9.452 -1.569 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.200 7.656 0.889 1.00 0.00 H new ATOM 1168 N VAL A 80 -6.172 10.590 -2.629 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.568 11.953 -2.961 1.00 0.00 C ATOM 1170 C VAL A 80 -6.707 12.806 -1.706 1.00 0.00 C ATOM 1171 O VAL A 80 -7.347 12.401 -0.734 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.900 11.977 -3.735 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -8.145 13.353 -4.334 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -7.907 10.906 -4.816 1.00 0.00 C ATOM 0 H VAL A 80 -6.922 10.014 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.781 12.367 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.710 11.762 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.090 13.350 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.186 14.095 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.334 13.601 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.855 10.937 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.089 11.087 -5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.782 9.925 -4.357 1.00 0.00 H new ATOM 1184 N CYS A 81 -6.105 13.990 -1.733 1.00 0.00 N ATOM 1185 CA CYS A 81 -6.161 14.902 -0.596 1.00 0.00 C ATOM 1186 C CYS A 81 -6.930 16.170 -0.953 1.00 0.00 C ATOM 1187 O CYS A 81 -7.685 16.701 -0.139 1.00 0.00 O ATOM 1188 CB CYS A 81 -4.748 15.262 -0.134 1.00 0.00 C ATOM 1189 SG CYS A 81 -4.666 16.736 0.911 1.00 0.00 S ATOM 0 H CYS A 81 -5.573 14.341 -2.529 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.684 14.398 0.217 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.330 14.417 0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.119 15.416 -1.011 1.00 0.00 H new ATOM 0 HG CYS A 81 -4.796 16.392 2.158 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.732 16.651 -2.177 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.413 17.854 -2.620 1.00 0.00 C ATOM 1197 C GLY A 82 -7.167 18.152 -4.086 1.00 0.00 C ATOM 1198 O GLY A 82 -7.987 17.816 -4.940 1.00 0.00 O ATOM 0 H GLY A 82 -6.113 16.229 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.484 17.746 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.078 18.700 -2.019 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.036 18.786 -4.378 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.687 19.132 -5.751 1.00 0.00 C ATOM 1204 C GLN A 83 -4.734 18.100 -6.346 1.00 0.00 C ATOM 1205 O GLN A 83 -4.745 17.856 -7.552 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.050 20.521 -5.803 1.00 0.00 C ATOM 1207 CG GLN A 83 -6.050 21.655 -5.648 1.00 0.00 C ATOM 1208 CD GLN A 83 -6.619 22.117 -6.975 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -6.610 21.376 -7.959 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -7.120 23.346 -7.009 1.00 0.00 N ATOM 0 H GLN A 83 -5.346 19.070 -3.683 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.603 19.138 -6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.301 20.598 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.527 20.636 -6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.865 21.330 -5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.566 22.496 -5.152 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.107 23.926 -6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.518 23.711 -7.874 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.912 17.498 -5.492 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.953 16.494 -5.935 1.00 0.00 C ATOM 1221 C GLU A 84 -3.496 15.086 -5.711 1.00 0.00 C ATOM 1222 O GLU A 84 -4.553 14.906 -5.106 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.624 16.663 -5.195 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.811 17.856 -5.669 1.00 0.00 C ATOM 1225 CD GLU A 84 0.000 17.551 -6.913 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -0.560 17.647 -8.025 1.00 0.00 O ATOM 1227 OE2 GLU A 84 1.195 17.216 -6.775 1.00 0.00 O ATOM 0 H GLU A 84 -3.891 17.688 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.787 16.635 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.823 16.770 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.031 15.757 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.482 18.691 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.140 18.174 -4.871 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.767 14.091 -6.205 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.176 12.699 -6.061 1.00 0.00 C ATOM 1236 C ARG A 85 -2.044 11.755 -6.456 1.00 0.00 C ATOM 1237 O ARG A 85 -1.525 11.822 -7.572 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.412 12.417 -6.918 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.667 10.937 -7.149 1.00 0.00 C ATOM 1240 CD ARG A 85 -5.947 10.709 -7.940 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.738 10.870 -9.376 1.00 0.00 N ATOM 1242 CZ ARG A 85 -6.648 10.552 -10.291 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -7.821 10.058 -9.920 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -6.384 10.727 -11.579 1.00 0.00 N ATOM 0 H ARG A 85 -1.890 14.223 -6.709 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.421 12.526 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.286 12.857 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.296 12.912 -7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.824 10.501 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.735 10.424 -6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.324 9.706 -7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.711 11.410 -7.604 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.845 11.247 -9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.027 9.921 -8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.518 9.815 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.482 11.106 -11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.083 10.483 -12.281 1.00 0.00 H new ATOM 1258 N THR A 86 -1.663 10.876 -5.534 1.00 0.00 N ATOM 1259 CA THR A 86 -0.592 9.921 -5.785 1.00 0.00 C ATOM 1260 C THR A 86 -1.151 8.537 -6.095 1.00 0.00 C ATOM 1261 O THR A 86 -2.349 8.295 -5.952 1.00 0.00 O ATOM 1262 CB THR A 86 0.363 9.818 -4.581 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.455 8.947 -4.894 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.369 9.300 -3.352 1.00 0.00 C ATOM 0 H THR A 86 -2.081 10.806 -4.606 1.00 0.00 H new ATOM 0 HA THR A 86 -0.038 10.288 -6.649 1.00 0.00 H new ATOM 0 HB THR A 86 0.745 10.815 -4.363 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.373 8.120 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.326 9.236 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.181 9.981 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.777 8.311 -3.561 1.00 0.00 H new ATOM 1272 N SER A 87 -0.275 7.632 -6.520 1.00 0.00 N ATOM 1273 CA SER A 87 -0.683 6.272 -6.854 1.00 0.00 C ATOM 1274 C SER A 87 0.498 5.310 -6.750 1.00 0.00 C ATOM 1275 O SER A 87 1.650 5.732 -6.664 1.00 0.00 O ATOM 1276 CB SER A 87 -1.271 6.225 -8.265 1.00 0.00 C ATOM 1277 OG SER A 87 -0.330 6.673 -9.225 1.00 0.00 O ATOM 0 H SER A 87 0.721 7.816 -6.641 1.00 0.00 H new ATOM 0 HA SER A 87 -1.446 5.962 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.578 5.206 -8.500 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.165 6.846 -8.310 1.00 0.00 H new ATOM 0 HG SER A 87 -0.730 6.632 -10.119 1.00 0.00 H new ATOM 1283 N ALA A 88 0.200 4.015 -6.758 1.00 0.00 N ATOM 1284 CA ALA A 88 1.235 2.993 -6.667 1.00 0.00 C ATOM 1285 C ALA A 88 0.656 1.603 -6.910 1.00 0.00 C ATOM 1286 O ALA A 88 -0.522 1.355 -6.652 1.00 0.00 O ATOM 1287 CB ALA A 88 1.918 3.053 -5.309 1.00 0.00 C ATOM 0 H ALA A 88 -0.750 3.649 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 88 1.975 3.190 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.689 2.284 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.374 4.034 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.181 2.884 -4.523 1.00 0.00 H new ATOM 1293 N THR A 89 1.492 0.698 -7.409 1.00 0.00 N ATOM 1294 CA THR A 89 1.064 -0.667 -7.688 1.00 0.00 C ATOM 1295 C THR A 89 1.333 -1.582 -6.499 1.00 0.00 C ATOM 1296 O THR A 89 2.410 -1.540 -5.902 1.00 0.00 O ATOM 1297 CB THR A 89 1.774 -1.236 -8.931 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.767 -0.267 -9.985 1.00 0.00 O ATOM 1299 CG2 THR A 89 1.096 -2.513 -9.404 1.00 0.00 C ATOM 0 H THR A 89 2.470 0.886 -7.628 1.00 0.00 H new ATOM 0 HA THR A 89 -0.009 -0.629 -7.878 1.00 0.00 H new ATOM 0 HB THR A 89 2.804 -1.469 -8.660 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.222 -0.635 -10.771 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.615 -2.896 -10.283 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.129 -3.258 -8.609 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.058 -2.301 -9.659 1.00 0.00 H new ATOM 1307 N LEU A 90 0.351 -2.409 -6.160 1.00 0.00 N ATOM 1308 CA LEU A 90 0.482 -3.337 -5.042 1.00 0.00 C ATOM 1309 C LEU A 90 0.562 -4.778 -5.536 1.00 0.00 C ATOM 1310 O LEU A 90 -0.244 -5.209 -6.361 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.698 -3.179 -4.082 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.611 -3.970 -2.776 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -1.348 -3.244 -1.662 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.171 -5.373 -2.963 1.00 0.00 C ATOM 0 H LEU A 90 -0.546 -2.456 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 90 1.406 -3.103 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.802 -2.122 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.608 -3.477 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 90 0.439 -4.054 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.275 -3.822 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.901 -2.261 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.397 -3.127 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.101 -5.921 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.215 -5.310 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.599 -5.894 -3.730 1.00 0.00 H new ATOM 1326 N THR A 91 1.539 -5.520 -5.024 1.00 0.00 N ATOM 1327 CA THR A 91 1.723 -6.913 -5.412 1.00 0.00 C ATOM 1328 C THR A 91 1.329 -7.856 -4.281 1.00 0.00 C ATOM 1329 O THR A 91 1.603 -7.586 -3.111 1.00 0.00 O ATOM 1330 CB THR A 91 3.183 -7.195 -5.815 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.596 -6.277 -6.833 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.339 -8.622 -6.319 1.00 0.00 C ATOM 0 H THR A 91 2.215 -5.180 -4.340 1.00 0.00 H new ATOM 0 HA THR A 91 1.075 -7.090 -6.271 1.00 0.00 H new ATOM 0 HB THR A 91 3.811 -7.067 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.526 -6.462 -7.082 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.378 -8.798 -6.598 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.051 -9.319 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.700 -8.773 -7.189 1.00 0.00 H new ATOM 1340 N VAL A 92 0.686 -8.963 -4.636 1.00 0.00 N ATOM 1341 CA VAL A 92 0.256 -9.947 -3.651 1.00 0.00 C ATOM 1342 C VAL A 92 0.533 -11.367 -4.134 1.00 0.00 C ATOM 1343 O VAL A 92 -0.131 -11.865 -5.043 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.246 -9.808 -3.336 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.666 -10.817 -2.278 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.567 -8.390 -2.890 1.00 0.00 C ATOM 0 H VAL A 92 0.451 -9.201 -5.600 1.00 0.00 H new ATOM 0 HA VAL A 92 0.829 -9.756 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.811 -10.015 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.730 -10.703 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.473 -11.827 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.096 -10.645 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.632 -8.310 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.994 -8.152 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.306 -7.691 -3.684 1.00 0.00 H new ATOM 1356 N ARG A 93 1.519 -12.013 -3.519 1.00 0.00 N ATOM 1357 CA ARG A 93 1.885 -13.375 -3.887 1.00 0.00 C ATOM 1358 C ARG A 93 0.839 -14.371 -3.394 1.00 0.00 C ATOM 1359 O ARG A 93 0.732 -14.633 -2.197 1.00 0.00 O ATOM 1360 CB ARG A 93 3.255 -13.731 -3.308 1.00 0.00 C ATOM 1361 CG ARG A 93 4.379 -12.839 -3.810 1.00 0.00 C ATOM 1362 CD ARG A 93 4.893 -13.300 -5.164 1.00 0.00 C ATOM 1363 NE ARG A 93 5.889 -14.361 -5.040 1.00 0.00 N ATOM 1364 CZ ARG A 93 6.608 -14.817 -6.059 1.00 0.00 C ATOM 1365 NH1 ARG A 93 6.444 -14.307 -7.272 1.00 0.00 N ATOM 1366 NH2 ARG A 93 7.495 -15.785 -5.866 1.00 0.00 N ATOM 0 H ARG A 93 2.078 -11.615 -2.764 1.00 0.00 H new ATOM 0 HA ARG A 93 1.931 -13.431 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.209 -13.666 -2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.487 -14.767 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.023 -11.811 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.197 -12.842 -3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.057 -13.656 -5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.330 -12.453 -5.693 1.00 0.00 H new ATOM 0 HE ARG A 93 6.041 -14.774 -4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.764 -13.562 -7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.998 -14.659 -8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.625 -16.179 -4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.047 -16.135 -6.649 1.00 0.00 H new ATOM 1380 N ALA A 94 0.069 -14.922 -4.327 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.968 -15.889 -3.989 1.00 0.00 C ATOM 1382 C ALA A 94 -0.386 -17.070 -3.218 1.00 0.00 C ATOM 1383 O ALA A 94 0.430 -17.827 -3.745 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.670 -16.373 -5.249 1.00 0.00 C ATOM 0 H ALA A 94 0.144 -14.715 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.697 -15.394 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.442 -17.095 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.127 -15.525 -5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.945 -16.846 -5.911 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.810 -17.221 -1.968 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.330 -18.310 -1.124 1.00 0.00 C ATOM 1392 C LEU A 95 -0.475 -19.653 -1.833 1.00 0.00 C ATOM 1393 O LEU A 95 -1.426 -19.889 -2.578 1.00 0.00 O ATOM 1394 CB LEU A 95 -1.098 -18.333 0.198 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.672 -17.298 1.240 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.801 -17.036 2.225 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.580 -17.760 1.971 1.00 0.00 C ATOM 0 H LEU A 95 -1.485 -16.604 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 95 0.727 -18.140 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.157 -18.188 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.995 -19.325 0.638 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.443 -16.365 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.479 -16.297 2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.672 -16.659 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.062 -17.964 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.868 -17.011 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.379 -18.706 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.391 -17.895 1.255 1.00 0.00 H new ATOM 1409 N PRO A 96 0.488 -20.555 -1.595 1.00 0.00 N ATOM 1410 CA PRO A 96 0.488 -21.891 -2.199 1.00 0.00 C ATOM 1411 C PRO A 96 -0.618 -22.780 -1.641 1.00 0.00 C ATOM 1412 O PRO A 96 -0.802 -22.870 -0.427 1.00 0.00 O ATOM 1413 CB PRO A 96 1.863 -22.450 -1.823 1.00 0.00 C ATOM 1414 CG PRO A 96 2.245 -21.716 -0.584 1.00 0.00 C ATOM 1415 CD PRO A 96 1.651 -20.341 -0.717 1.00 0.00 C ATOM 0 HA PRO A 96 0.307 -21.852 -3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.819 -23.525 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.588 -22.286 -2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.863 -22.222 0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.329 -21.664 -0.479 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.355 -19.936 0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.360 -19.638 -1.154 1.00 0.00 H new ATOM 1423 N ALA A 97 -1.352 -23.435 -2.534 1.00 0.00 N ATOM 1424 CA ALA A 97 -2.438 -24.318 -2.130 1.00 0.00 C ATOM 1425 C ALA A 97 -2.024 -25.196 -0.955 1.00 0.00 C ATOM 1426 O ALA A 97 -0.873 -25.624 -0.863 1.00 0.00 O ATOM 1427 CB ALA A 97 -2.882 -25.179 -3.304 1.00 0.00 C ATOM 0 H ALA A 97 -1.214 -23.371 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.276 -23.699 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.694 -25.834 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.227 -24.538 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.043 -25.782 -3.651 1.00 0.00 H new ATOM 1433 N ARG A 98 -2.968 -25.461 -0.057 1.00 0.00 N ATOM 1434 CA ARG A 98 -2.699 -26.286 1.114 1.00 0.00 C ATOM 1435 C ARG A 98 -3.680 -27.453 1.193 1.00 0.00 C ATOM 1436 O ARG A 98 -4.851 -27.271 1.526 1.00 0.00 O ATOM 1437 CB ARG A 98 -2.787 -25.445 2.388 1.00 0.00 C ATOM 1438 CG ARG A 98 -2.170 -26.116 3.605 1.00 0.00 C ATOM 1439 CD ARG A 98 -2.213 -25.208 4.823 1.00 0.00 C ATOM 1440 NE ARG A 98 -3.563 -25.088 5.370 1.00 0.00 N ATOM 1441 CZ ARG A 98 -4.141 -26.026 6.112 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -3.490 -27.146 6.396 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -5.371 -25.844 6.573 1.00 0.00 N ATOM 0 H ARG A 98 -3.926 -25.116 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.690 -26.687 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.289 -24.491 2.218 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.834 -25.225 2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.703 -27.042 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.137 -26.387 3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.545 -25.599 5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.843 -24.219 4.551 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.090 -24.238 5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.543 -27.289 6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.936 -27.865 6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.874 -24.983 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.814 -26.565 7.143 1.00 0.00 H new ATOM 1457 N PHE A 99 -3.193 -28.650 0.884 1.00 0.00 N ATOM 1458 CA PHE A 99 -4.027 -29.846 0.918 1.00 0.00 C ATOM 1459 C PHE A 99 -3.693 -30.706 2.134 1.00 0.00 C ATOM 1460 O PHE A 99 -2.526 -30.869 2.491 1.00 0.00 O ATOM 1461 CB PHE A 99 -3.840 -30.661 -0.363 1.00 0.00 C ATOM 1462 CG PHE A 99 -4.876 -31.733 -0.549 1.00 0.00 C ATOM 1463 CD1 PHE A 99 -4.689 -32.995 -0.009 1.00 0.00 C ATOM 1464 CD2 PHE A 99 -6.035 -31.478 -1.262 1.00 0.00 C ATOM 1465 CE1 PHE A 99 -5.640 -33.984 -0.177 1.00 0.00 C ATOM 1466 CE2 PHE A 99 -6.990 -32.463 -1.433 1.00 0.00 C ATOM 1467 CZ PHE A 99 -6.792 -33.718 -0.891 1.00 0.00 C ATOM 0 H PHE A 99 -2.226 -28.818 0.607 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.068 -29.531 0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.868 -29.988 -1.220 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.852 -31.120 -0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.790 -33.209 0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.195 -30.499 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.482 -34.964 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.891 -32.251 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 99 -7.536 -34.489 -1.025 1.00 0.00 H new ATOM 1477 N ILE A 100 -4.727 -31.253 2.765 1.00 0.00 N ATOM 1478 CA ILE A 100 -4.544 -32.097 3.940 1.00 0.00 C ATOM 1479 C ILE A 100 -5.416 -33.345 3.862 1.00 0.00 C ATOM 1480 O ILE A 100 -6.470 -33.338 3.225 1.00 0.00 O ATOM 1481 CB ILE A 100 -4.873 -31.335 5.237 1.00 0.00 C ATOM 1482 CG1 ILE A 100 -4.746 -32.263 6.446 1.00 0.00 C ATOM 1483 CG2 ILE A 100 -6.272 -30.742 5.162 1.00 0.00 C ATOM 1484 CD1 ILE A 100 -4.576 -31.528 7.757 1.00 0.00 C ATOM 0 H ILE A 100 -5.699 -31.127 2.483 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.494 -32.391 3.957 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.159 -30.519 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.633 -32.893 6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.893 -32.926 6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.490 -30.206 6.086 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.330 -30.052 4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.000 -31.542 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.492 -32.249 8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.673 -30.919 7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.440 -30.886 7.929 1.00 0.00 H new ATOM 1496 N GLU A 101 -4.971 -34.414 4.515 1.00 0.00 N ATOM 1497 CA GLU A 101 -5.713 -35.669 4.519 1.00 0.00 C ATOM 1498 C GLU A 101 -5.498 -36.423 5.828 1.00 0.00 C ATOM 1499 O GLU A 101 -4.384 -36.478 6.350 1.00 0.00 O ATOM 1500 CB GLU A 101 -5.286 -36.543 3.338 1.00 0.00 C ATOM 1501 CG GLU A 101 -6.337 -37.560 2.923 1.00 0.00 C ATOM 1502 CD GLU A 101 -6.138 -38.059 1.505 1.00 0.00 C ATOM 1503 OE1 GLU A 101 -5.346 -39.006 1.315 1.00 0.00 O ATOM 1504 OE2 GLU A 101 -6.772 -37.502 0.585 1.00 0.00 O ATOM 0 H GLU A 101 -4.101 -34.436 5.047 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.773 -35.435 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.056 -35.902 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.367 -37.068 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -6.309 -38.406 3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.326 -37.111 3.011 1.00 0.00 H new ATOM 1511 N SER A 102 -6.572 -37.003 6.354 1.00 0.00 N ATOM 1512 CA SER A 102 -6.503 -37.751 7.604 1.00 0.00 C ATOM 1513 C SER A 102 -5.284 -38.668 7.622 1.00 0.00 C ATOM 1514 O SER A 102 -4.552 -38.728 8.609 1.00 0.00 O ATOM 1515 CB SER A 102 -7.777 -38.574 7.802 1.00 0.00 C ATOM 1516 OG SER A 102 -8.863 -37.748 8.188 1.00 0.00 O ATOM 0 H SER A 102 -7.501 -36.969 5.934 1.00 0.00 H new ATOM 0 HA SER A 102 -6.410 -37.036 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.024 -39.096 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.607 -39.336 8.563 1.00 0.00 H new ATOM 0 HG SER A 102 -9.666 -38.297 8.307 1.00 0.00 H new ATOM 1522 N GLY A 103 -5.072 -39.382 6.520 1.00 0.00 N ATOM 1523 CA GLY A 103 -3.941 -40.287 6.429 1.00 0.00 C ATOM 1524 C GLY A 103 -3.838 -40.950 5.069 1.00 0.00 C ATOM 1525 O GLY A 103 -4.435 -41.996 4.818 1.00 0.00 O ATOM 0 H GLY A 103 -5.663 -39.350 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.022 -39.737 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.030 -41.054 7.198 1.00 0.00 H new ATOM 1529 N PRO A 104 -3.063 -40.333 4.164 1.00 0.00 N ATOM 1530 CA PRO A 104 -2.866 -40.851 2.807 1.00 0.00 C ATOM 1531 C PRO A 104 -2.036 -42.130 2.790 1.00 0.00 C ATOM 1532 O PRO A 104 -1.895 -42.777 1.752 1.00 0.00 O ATOM 1533 CB PRO A 104 -2.117 -39.718 2.100 1.00 0.00 C ATOM 1534 CG PRO A 104 -1.423 -38.983 3.194 1.00 0.00 C ATOM 1535 CD PRO A 104 -2.321 -39.082 4.395 1.00 0.00 C ATOM 0 HA PRO A 104 -3.810 -41.118 2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.406 -40.108 1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.803 -39.067 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.446 -39.421 3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -1.254 -37.942 2.918 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -1.749 -39.119 5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.991 -38.225 4.468 1.00 0.00 H new ATOM 1543 N SER A 105 -1.488 -42.490 3.946 1.00 0.00 N ATOM 1544 CA SER A 105 -0.669 -43.691 4.063 1.00 0.00 C ATOM 1545 C SER A 105 -1.540 -44.924 4.285 1.00 0.00 C ATOM 1546 O SER A 105 -2.592 -44.848 4.919 1.00 0.00 O ATOM 1547 CB SER A 105 0.328 -43.543 5.215 1.00 0.00 C ATOM 1548 OG SER A 105 -0.343 -43.389 6.453 1.00 0.00 O ATOM 0 H SER A 105 -1.596 -41.967 4.815 1.00 0.00 H new ATOM 0 HA SER A 105 -0.120 -43.819 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.975 -44.419 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.970 -42.681 5.036 1.00 0.00 H new ATOM 0 HG SER A 105 0.316 -43.298 7.173 1.00 0.00 H new ATOM 1554 N SER A 106 -1.093 -46.059 3.757 1.00 0.00 N ATOM 1555 CA SER A 106 -1.833 -47.308 3.892 1.00 0.00 C ATOM 1556 C SER A 106 -1.404 -48.060 5.149 1.00 0.00 C ATOM 1557 O SER A 106 -0.221 -48.109 5.482 1.00 0.00 O ATOM 1558 CB SER A 106 -1.619 -48.188 2.660 1.00 0.00 C ATOM 1559 OG SER A 106 -2.389 -49.375 2.740 1.00 0.00 O ATOM 0 H SER A 106 -0.222 -46.139 3.232 1.00 0.00 H new ATOM 0 HA SER A 106 -2.893 -47.067 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.892 -47.634 1.762 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.563 -48.442 2.570 1.00 0.00 H new ATOM 0 HG SER A 106 -2.235 -49.919 1.940 1.00 0.00 H new ATOM 1565 N GLY A 107 -2.376 -48.644 5.842 1.00 0.00 N ATOM 1566 CA GLY A 107 -2.080 -49.385 7.054 1.00 0.00 C ATOM 1567 C GLY A 107 -1.568 -50.783 6.768 1.00 0.00 C ATOM 1568 O GLY A 107 -2.137 -51.768 7.238 1.00 0.00 O ATOM 0 H GLY A 107 -3.363 -48.617 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.336 -48.841 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.980 -49.449 7.666 1.00 0.00 H new TER 1572 GLY A 107