USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 716 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 45 THR OG1 : rot 32:sc= 0.557 USER MOD Set 1.2: A 74 THR OG1 : rot 79:sc= 0.98 USER MOD Set 1.3: A 88 SER OG : rot -85:sc= 1.29 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= -0.0314 USER MOD Set 2.2: A 8 GLN : amide:sc= -0.879 X(o=-0.91,f=-0.55) 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 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 21:sc= 0.201! USER MOD Single : A 24 THR OG1 : rot 170:sc= -0.0101 USER MOD Single : A 25 THR OG1 : rot 41:sc= 0.242 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0964 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 120:sc= -0.761 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= -0.0271 (180deg=-0.431) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0.344 USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -2.12 (180deg=-3.65!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 57 ASN : amide:sc= -0.0015 X(o=-0.0015,f=-0.036) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.23! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00647 USER MOD Single : A 71 TYR OH : rot 165:sc= -0.331 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc=-0.000345 X(o=-0.00034,f=-0.064) USER MOD Single : A 84 GLN : amide:sc= -3.08! C(o=-3.1!,f=-11!) USER MOD Single : A 85 SER OG : rot 170:sc= 0 USER MOD Single : A 86 GLN : amide:sc=-0.00759 X(o=-0.0076,f=-0.0076) USER MOD Single : A 87 SER OG : rot 141:sc= 0.0192 USER MOD Single : A 90 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.3) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.343 -0.032 16.418 1.00 0.00 N ATOM 2 CA GLY A 1 23.472 -0.403 15.318 1.00 0.00 C ATOM 3 C GLY A 1 23.144 0.771 14.416 1.00 0.00 C ATOM 4 O GLY A 1 23.881 1.063 13.475 1.00 0.00 O ATOM 0 H1 GLY A 1 24.537 -0.869 17.004 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.237 0.342 16.042 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.879 0.697 16.997 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.949 -1.187 14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.547 -0.821 15.716 1.00 0.00 H new ATOM 8 N SER A 2 22.035 1.445 14.704 1.00 0.00 N ATOM 9 CA SER A 2 21.609 2.590 13.908 1.00 0.00 C ATOM 10 C SER A 2 21.637 3.869 14.740 1.00 0.00 C ATOM 11 O SER A 2 21.466 3.835 15.958 1.00 0.00 O ATOM 12 CB SER A 2 20.201 2.358 13.356 1.00 0.00 C ATOM 13 OG SER A 2 19.306 1.975 14.385 1.00 0.00 O ATOM 0 H SER A 2 21.416 1.218 15.482 1.00 0.00 H new ATOM 0 HA SER A 2 22.304 2.703 13.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.841 3.268 12.877 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.231 1.584 12.589 1.00 0.00 H new ATOM 0 HG SER A 2 18.413 1.835 14.006 1.00 0.00 H new ATOM 19 N SER A 3 21.854 4.997 14.071 1.00 0.00 N ATOM 20 CA SER A 3 21.909 6.288 14.747 1.00 0.00 C ATOM 21 C SER A 3 20.556 6.991 14.686 1.00 0.00 C ATOM 22 O SER A 3 20.195 7.580 13.668 1.00 0.00 O ATOM 23 CB SER A 3 22.985 7.173 14.115 1.00 0.00 C ATOM 24 OG SER A 3 24.283 6.684 14.406 1.00 0.00 O ATOM 0 H SER A 3 21.995 5.043 13.062 1.00 0.00 H new ATOM 0 HA SER A 3 22.161 6.112 15.793 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.841 7.211 13.035 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.886 8.193 14.486 1.00 0.00 H new ATOM 0 HG SER A 3 24.953 7.266 13.990 1.00 0.00 H new ATOM 30 N GLY A 4 19.811 6.924 15.785 1.00 0.00 N ATOM 31 CA GLY A 4 18.506 7.557 15.837 1.00 0.00 C ATOM 32 C GLY A 4 17.376 6.577 15.594 1.00 0.00 C ATOM 33 O GLY A 4 16.831 6.001 16.535 1.00 0.00 O ATOM 0 H GLY A 4 20.088 6.443 16.641 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.372 8.027 16.811 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.461 8.351 15.092 1.00 0.00 H new ATOM 37 N SER A 5 17.021 6.388 14.327 1.00 0.00 N ATOM 38 CA SER A 5 15.944 5.475 13.963 1.00 0.00 C ATOM 39 C SER A 5 16.215 4.828 12.608 1.00 0.00 C ATOM 40 O SER A 5 17.042 5.308 11.833 1.00 0.00 O ATOM 41 CB SER A 5 14.607 6.218 13.927 1.00 0.00 C ATOM 42 OG SER A 5 14.520 7.057 12.789 1.00 0.00 O ATOM 0 H SER A 5 17.464 6.855 13.536 1.00 0.00 H new ATOM 0 HA SER A 5 15.896 4.690 14.718 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.788 5.499 13.916 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.495 6.815 14.832 1.00 0.00 H new ATOM 0 HG SER A 5 13.656 7.519 12.789 1.00 0.00 H new ATOM 48 N SER A 6 15.512 3.734 12.330 1.00 0.00 N ATOM 49 CA SER A 6 15.678 3.018 11.071 1.00 0.00 C ATOM 50 C SER A 6 14.415 3.112 10.221 1.00 0.00 C ATOM 51 O SER A 6 13.580 2.208 10.228 1.00 0.00 O ATOM 52 CB SER A 6 16.020 1.550 11.337 1.00 0.00 C ATOM 53 OG SER A 6 16.634 0.957 10.206 1.00 0.00 O ATOM 0 H SER A 6 14.822 3.325 12.960 1.00 0.00 H new ATOM 0 HA SER A 6 16.498 3.482 10.523 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.687 1.479 12.196 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.113 1.002 11.591 1.00 0.00 H new ATOM 0 HG SER A 6 16.844 0.020 10.402 1.00 0.00 H new ATOM 59 N GLY A 7 14.282 4.214 9.489 1.00 0.00 N ATOM 60 CA GLY A 7 13.118 4.407 8.644 1.00 0.00 C ATOM 61 C GLY A 7 13.394 4.073 7.192 1.00 0.00 C ATOM 62 O GLY A 7 13.298 4.937 6.321 1.00 0.00 O ATOM 0 H GLY A 7 14.959 4.976 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.301 3.784 9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.786 5.443 8.719 1.00 0.00 H new ATOM 66 N GLN A 8 13.740 2.816 6.931 1.00 0.00 N ATOM 67 CA GLN A 8 14.033 2.371 5.574 1.00 0.00 C ATOM 68 C GLN A 8 12.817 1.697 4.947 1.00 0.00 C ATOM 69 O GLN A 8 12.914 0.593 4.412 1.00 0.00 O ATOM 70 CB GLN A 8 15.220 1.406 5.577 1.00 0.00 C ATOM 71 CG GLN A 8 16.571 2.103 5.610 1.00 0.00 C ATOM 72 CD GLN A 8 16.720 3.029 6.801 1.00 0.00 C ATOM 73 OE1 GLN A 8 16.298 4.186 6.760 1.00 0.00 O ATOM 74 NE2 GLN A 8 17.322 2.525 7.872 1.00 0.00 N ATOM 0 H GLN A 8 13.824 2.089 7.641 1.00 0.00 H new ATOM 0 HA GLN A 8 14.287 3.248 4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.139 0.747 6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.167 0.776 4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.362 1.353 5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.703 2.674 4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.656 1.561 7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.450 3.101 8.704 1.00 0.00 H new ATOM 83 N ALA A 9 11.673 2.369 5.017 1.00 0.00 N ATOM 84 CA ALA A 9 10.438 1.837 4.455 1.00 0.00 C ATOM 85 C ALA A 9 9.329 2.883 4.475 1.00 0.00 C ATOM 86 O ALA A 9 8.927 3.356 5.538 1.00 0.00 O ATOM 87 CB ALA A 9 10.005 0.592 5.217 1.00 0.00 C ATOM 0 H ALA A 9 11.576 3.284 5.458 1.00 0.00 H new ATOM 0 HA ALA A 9 10.628 1.567 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.081 0.205 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.784 -0.167 5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.839 0.846 6.264 1.00 0.00 H new ATOM 93 N ASP A 10 8.840 3.242 3.293 1.00 0.00 N ATOM 94 CA ASP A 10 7.777 4.233 3.175 1.00 0.00 C ATOM 95 C ASP A 10 6.602 3.678 2.375 1.00 0.00 C ATOM 96 O ASP A 10 6.722 3.414 1.179 1.00 0.00 O ATOM 97 CB ASP A 10 8.307 5.504 2.509 1.00 0.00 C ATOM 98 CG ASP A 10 7.438 6.713 2.796 1.00 0.00 C ATOM 99 OD1 ASP A 10 7.106 6.939 3.978 1.00 0.00 O ATOM 100 OD2 ASP A 10 7.092 7.434 1.837 1.00 0.00 O ATOM 0 H ASP A 10 9.163 2.862 2.403 1.00 0.00 H new ATOM 0 HA ASP A 10 7.428 4.476 4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.321 5.698 2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.365 5.349 1.432 1.00 0.00 H new ATOM 105 N ALA A 11 5.468 3.502 3.044 1.00 0.00 N ATOM 106 CA ALA A 11 4.272 2.978 2.396 1.00 0.00 C ATOM 107 C ALA A 11 3.319 4.105 2.009 1.00 0.00 C ATOM 108 O ALA A 11 2.101 3.950 2.071 1.00 0.00 O ATOM 109 CB ALA A 11 3.571 1.982 3.307 1.00 0.00 C ATOM 0 H ALA A 11 5.352 3.715 4.035 1.00 0.00 H new ATOM 0 HA ALA A 11 4.578 2.466 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.680 1.599 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.246 1.155 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.285 2.477 4.235 1.00 0.00 H new ATOM 115 N GLY A 12 3.885 5.240 1.609 1.00 0.00 N ATOM 116 CA GLY A 12 3.071 6.377 1.219 1.00 0.00 C ATOM 117 C GLY A 12 2.217 6.897 2.358 1.00 0.00 C ATOM 118 O GLY A 12 1.958 6.198 3.338 1.00 0.00 O ATOM 0 H GLY A 12 4.892 5.392 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.718 7.177 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.427 6.091 0.388 1.00 0.00 H new ATOM 122 N PRO A 13 1.766 8.155 2.239 1.00 0.00 N ATOM 123 CA PRO A 13 0.931 8.797 3.258 1.00 0.00 C ATOM 124 C PRO A 13 -0.469 8.197 3.323 1.00 0.00 C ATOM 125 O PRO A 13 -0.762 7.208 2.651 1.00 0.00 O ATOM 126 CB PRO A 13 0.867 10.255 2.798 1.00 0.00 C ATOM 127 CG PRO A 13 1.097 10.198 1.327 1.00 0.00 C ATOM 128 CD PRO A 13 2.036 9.046 1.098 1.00 0.00 C ATOM 0 HA PRO A 13 1.341 8.670 4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.100 10.702 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.625 10.860 3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.160 10.050 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.528 11.131 0.963 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.841 8.551 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.076 9.372 1.080 1.00 0.00 H new ATOM 136 N ASP A 14 -1.329 8.801 4.135 1.00 0.00 N ATOM 137 CA ASP A 14 -2.700 8.327 4.286 1.00 0.00 C ATOM 138 C ASP A 14 -3.415 8.293 2.938 1.00 0.00 C ATOM 139 O ASP A 14 -3.078 9.048 2.026 1.00 0.00 O ATOM 140 CB ASP A 14 -3.467 9.221 5.262 1.00 0.00 C ATOM 141 CG ASP A 14 -4.039 10.454 4.590 1.00 0.00 C ATOM 142 OD1 ASP A 14 -5.042 10.320 3.858 1.00 0.00 O ATOM 143 OD2 ASP A 14 -3.484 11.553 4.797 1.00 0.00 O ATOM 0 H ASP A 14 -1.101 9.620 4.699 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.666 7.313 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.277 8.649 5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.802 9.526 6.070 1.00 0.00 H new ATOM 148 N LYS A 15 -4.403 7.412 2.820 1.00 0.00 N ATOM 149 CA LYS A 15 -5.166 7.279 1.585 1.00 0.00 C ATOM 150 C LYS A 15 -6.660 7.442 1.849 1.00 0.00 C ATOM 151 O LYS A 15 -7.236 6.728 2.668 1.00 0.00 O ATOM 152 CB LYS A 15 -4.897 5.918 0.940 1.00 0.00 C ATOM 153 CG LYS A 15 -3.496 5.781 0.369 1.00 0.00 C ATOM 154 CD LYS A 15 -3.421 6.307 -1.055 1.00 0.00 C ATOM 155 CE LYS A 15 -2.011 6.755 -1.409 1.00 0.00 C ATOM 156 NZ LYS A 15 -1.945 7.351 -2.772 1.00 0.00 N ATOM 0 H LYS A 15 -4.694 6.779 3.565 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.847 8.067 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.056 5.136 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.623 5.753 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.791 6.326 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.195 4.733 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.742 5.530 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.110 7.143 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.667 7.485 -0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.334 5.903 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.968 7.644 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.249 6.647 -3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.572 8.180 -2.819 1.00 0.00 H new ATOM 170 N GLU A 16 -7.280 8.386 1.147 1.00 0.00 N ATOM 171 CA GLU A 16 -8.707 8.641 1.306 1.00 0.00 C ATOM 172 C GLU A 16 -9.420 8.602 -0.043 1.00 0.00 C ATOM 173 O GLU A 16 -9.359 9.557 -0.818 1.00 0.00 O ATOM 174 CB GLU A 16 -8.933 9.998 1.976 1.00 0.00 C ATOM 175 CG GLU A 16 -10.225 10.075 2.773 1.00 0.00 C ATOM 176 CD GLU A 16 -10.399 11.409 3.473 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.421 11.893 4.080 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.514 11.969 3.414 1.00 0.00 O ATOM 0 H GLU A 16 -6.817 8.986 0.464 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.122 7.857 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.094 10.211 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.941 10.775 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.070 9.906 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.239 9.275 3.514 1.00 0.00 H new ATOM 185 N LEU A 17 -10.096 7.491 -0.316 1.00 0.00 N ATOM 186 CA LEU A 17 -10.821 7.326 -1.571 1.00 0.00 C ATOM 187 C LEU A 17 -12.308 7.604 -1.381 1.00 0.00 C ATOM 188 O LEU A 17 -12.819 7.575 -0.260 1.00 0.00 O ATOM 189 CB LEU A 17 -10.620 5.910 -2.115 1.00 0.00 C ATOM 190 CG LEU A 17 -9.183 5.389 -2.117 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.165 3.872 -2.012 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.450 5.848 -3.369 1.00 0.00 C ATOM 0 H LEU A 17 -10.157 6.692 0.315 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.425 8.044 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.232 5.226 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.998 5.878 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.668 5.799 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.134 3.519 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.651 3.566 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.698 3.442 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.429 5.468 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.965 5.468 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.431 6.937 -3.401 1.00 0.00 H new ATOM 204 N THR A 18 -13.001 7.871 -2.484 1.00 0.00 N ATOM 205 CA THR A 18 -14.430 8.153 -2.439 1.00 0.00 C ATOM 206 C THR A 18 -15.176 7.388 -3.527 1.00 0.00 C ATOM 207 O THR A 18 -14.978 7.632 -4.718 1.00 0.00 O ATOM 208 CB THR A 18 -14.711 9.658 -2.602 1.00 0.00 C ATOM 209 OG1 THR A 18 -13.710 10.420 -1.919 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.086 10.014 -2.057 1.00 0.00 C ATOM 0 H THR A 18 -12.595 7.898 -3.419 1.00 0.00 H new ATOM 0 HA THR A 18 -14.785 7.828 -1.461 1.00 0.00 H new ATOM 0 HB THR A 18 -14.686 9.897 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.895 11.376 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.262 11.082 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.848 9.454 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.134 9.761 -0.998 1.00 0.00 H new ATOM 218 N LEU A 19 -16.033 6.462 -3.111 1.00 0.00 N ATOM 219 CA LEU A 19 -16.809 5.661 -4.051 1.00 0.00 C ATOM 220 C LEU A 19 -17.314 6.517 -5.209 1.00 0.00 C ATOM 221 O LEU A 19 -17.405 7.741 -5.114 1.00 0.00 O ATOM 222 CB LEU A 19 -17.991 5.003 -3.336 1.00 0.00 C ATOM 223 CG LEU A 19 -17.708 3.654 -2.674 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.581 2.561 -3.724 1.00 0.00 C ATOM 225 CD2 LEU A 19 -16.448 3.730 -1.825 1.00 0.00 C ATOM 0 H LEU A 19 -16.208 6.247 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.157 4.885 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.356 5.690 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.797 4.869 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.546 3.408 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.380 1.608 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.510 2.490 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.762 2.801 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.262 2.761 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.600 3.999 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.577 4.484 -1.049 1.00 0.00 H new ATOM 237 N PRO A 20 -17.651 5.859 -6.328 1.00 0.00 N ATOM 238 CA PRO A 20 -17.545 4.402 -6.452 1.00 0.00 C ATOM 239 C PRO A 20 -16.097 3.927 -6.492 1.00 0.00 C ATOM 240 O PRO A 20 -15.828 2.727 -6.549 1.00 0.00 O ATOM 241 CB PRO A 20 -18.241 4.108 -7.783 1.00 0.00 C ATOM 242 CG PRO A 20 -18.113 5.370 -8.565 1.00 0.00 C ATOM 243 CD PRO A 20 -18.160 6.487 -7.559 1.00 0.00 C ATOM 0 HA PRO A 20 -17.989 3.887 -5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.769 3.272 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.287 3.840 -7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.178 5.389 -9.126 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.921 5.464 -9.290 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.541 7.330 -7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.173 6.867 -7.427 1.00 0.00 H new ATOM 251 N VAL A 21 -15.166 4.876 -6.462 1.00 0.00 N ATOM 252 CA VAL A 21 -13.745 4.554 -6.493 1.00 0.00 C ATOM 253 C VAL A 21 -13.378 3.575 -5.384 1.00 0.00 C ATOM 254 O VAL A 21 -13.134 3.974 -4.245 1.00 0.00 O ATOM 255 CB VAL A 21 -12.879 5.821 -6.351 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.402 5.461 -6.350 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.196 6.809 -7.463 1.00 0.00 C ATOM 0 H VAL A 21 -15.371 5.874 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.547 4.093 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.112 6.295 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.806 6.368 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.191 4.793 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.148 4.963 -7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.576 7.698 -7.348 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.992 6.347 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.248 7.091 -7.410 1.00 0.00 H new ATOM 267 N ASP A 22 -13.342 2.291 -5.724 1.00 0.00 N ATOM 268 CA ASP A 22 -13.004 1.253 -4.757 1.00 0.00 C ATOM 269 C ASP A 22 -11.712 0.544 -5.151 1.00 0.00 C ATOM 270 O ASP A 22 -11.606 -0.678 -5.045 1.00 0.00 O ATOM 271 CB ASP A 22 -14.143 0.239 -4.646 1.00 0.00 C ATOM 272 CG ASP A 22 -14.396 -0.493 -5.950 1.00 0.00 C ATOM 273 OD1 ASP A 22 -14.233 0.129 -7.020 1.00 0.00 O ATOM 274 OD2 ASP A 22 -14.759 -1.687 -5.900 1.00 0.00 O ATOM 0 H ASP A 22 -13.543 1.944 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.856 1.728 -3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.906 -0.485 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.054 0.752 -4.338 1.00 0.00 H new ATOM 279 N SER A 23 -10.733 1.319 -5.606 1.00 0.00 N ATOM 280 CA SER A 23 -9.449 0.765 -6.021 1.00 0.00 C ATOM 281 C SER A 23 -8.353 1.824 -5.953 1.00 0.00 C ATOM 282 O SER A 23 -8.520 2.940 -6.446 1.00 0.00 O ATOM 283 CB SER A 23 -9.546 0.205 -7.441 1.00 0.00 C ATOM 284 OG SER A 23 -9.624 1.248 -8.396 1.00 0.00 O ATOM 0 H SER A 23 -10.804 2.332 -5.697 1.00 0.00 H new ATOM 0 HA SER A 23 -9.192 -0.043 -5.337 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.677 -0.419 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.425 -0.435 -7.524 1.00 0.00 H new ATOM 0 HG SER A 23 -9.268 2.074 -8.008 1.00 0.00 H new ATOM 290 N THR A 24 -7.229 1.465 -5.339 1.00 0.00 N ATOM 291 CA THR A 24 -6.105 2.383 -5.205 1.00 0.00 C ATOM 292 C THR A 24 -4.779 1.665 -5.426 1.00 0.00 C ATOM 293 O THR A 24 -4.716 0.435 -5.406 1.00 0.00 O ATOM 294 CB THR A 24 -6.089 3.052 -3.817 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.271 4.227 -3.850 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.563 2.092 -2.760 1.00 0.00 C ATOM 0 H THR A 24 -7.074 0.545 -4.927 1.00 0.00 H new ATOM 0 HA THR A 24 -6.231 3.150 -5.969 1.00 0.00 H new ATOM 0 HB THR A 24 -7.111 3.328 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.392 4.733 -3.020 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.561 2.586 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.203 1.211 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.547 1.790 -3.016 1.00 0.00 H new ATOM 304 N THR A 25 -3.720 2.439 -5.638 1.00 0.00 N ATOM 305 CA THR A 25 -2.394 1.876 -5.863 1.00 0.00 C ATOM 306 C THR A 25 -1.401 2.374 -4.819 1.00 0.00 C ATOM 307 O THR A 25 -1.174 3.577 -4.687 1.00 0.00 O ATOM 308 CB THR A 25 -1.866 2.228 -7.267 1.00 0.00 C ATOM 309 OG1 THR A 25 -1.946 3.642 -7.480 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.661 1.503 -8.342 1.00 0.00 C ATOM 0 H THR A 25 -3.754 3.458 -5.659 1.00 0.00 H new ATOM 0 HA THR A 25 -2.491 0.794 -5.780 1.00 0.00 H new ATOM 0 HB THR A 25 -0.826 1.909 -7.330 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.679 4.112 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.270 1.767 -9.324 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.575 0.426 -8.195 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.709 1.795 -8.278 1.00 0.00 H new ATOM 318 N LEU A 26 -0.810 1.441 -4.081 1.00 0.00 N ATOM 319 CA LEU A 26 0.161 1.784 -3.048 1.00 0.00 C ATOM 320 C LEU A 26 1.584 1.707 -3.591 1.00 0.00 C ATOM 321 O LEU A 26 2.239 0.668 -3.498 1.00 0.00 O ATOM 322 CB LEU A 26 0.009 0.850 -1.846 1.00 0.00 C ATOM 323 CG LEU A 26 -1.358 0.851 -1.163 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.615 -0.483 -0.479 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.453 1.993 -0.161 1.00 0.00 C ATOM 0 H LEU A 26 -0.986 0.441 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.031 2.809 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.229 -0.167 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.763 1.118 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.123 0.998 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.593 -0.463 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.591 -1.282 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.845 -0.661 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.433 1.978 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.679 1.877 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.315 2.943 -0.678 1.00 0.00 H new ATOM 337 N ASP A 27 2.057 2.812 -4.156 1.00 0.00 N ATOM 338 CA ASP A 27 3.404 2.871 -4.711 1.00 0.00 C ATOM 339 C ASP A 27 4.429 3.170 -3.621 1.00 0.00 C ATOM 340 O ASP A 27 4.332 4.179 -2.924 1.00 0.00 O ATOM 341 CB ASP A 27 3.481 3.935 -5.807 1.00 0.00 C ATOM 342 CG ASP A 27 3.550 5.341 -5.244 1.00 0.00 C ATOM 343 OD1 ASP A 27 4.660 5.779 -4.875 1.00 0.00 O ATOM 344 OD2 ASP A 27 2.494 6.004 -5.174 1.00 0.00 O ATOM 0 H ASP A 27 1.527 3.679 -4.242 1.00 0.00 H new ATOM 0 HA ASP A 27 3.635 1.898 -5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.359 3.751 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.609 3.849 -6.455 1.00 0.00 H new ATOM 349 N GLY A 28 5.410 2.284 -3.479 1.00 0.00 N ATOM 350 CA GLY A 28 6.438 2.470 -2.472 1.00 0.00 C ATOM 351 C GLY A 28 7.772 2.867 -3.071 1.00 0.00 C ATOM 352 O GLY A 28 8.812 2.746 -2.423 1.00 0.00 O ATOM 0 H GLY A 28 5.511 1.441 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.117 3.237 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.558 1.547 -1.905 1.00 0.00 H new ATOM 356 N SER A 29 7.745 3.341 -4.312 1.00 0.00 N ATOM 357 CA SER A 29 8.962 3.752 -5.001 1.00 0.00 C ATOM 358 C SER A 29 9.889 4.513 -4.059 1.00 0.00 C ATOM 359 O SER A 29 11.074 4.198 -3.945 1.00 0.00 O ATOM 360 CB SER A 29 8.620 4.622 -6.212 1.00 0.00 C ATOM 361 OG SER A 29 7.884 5.769 -5.824 1.00 0.00 O ATOM 0 H SER A 29 6.893 3.450 -4.861 1.00 0.00 H new ATOM 0 HA SER A 29 9.477 2.854 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.537 4.928 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.042 4.040 -6.930 1.00 0.00 H new ATOM 0 HG SER A 29 7.679 6.309 -6.615 1.00 0.00 H new ATOM 367 N LYS A 30 9.341 5.519 -3.385 1.00 0.00 N ATOM 368 CA LYS A 30 10.116 6.327 -2.451 1.00 0.00 C ATOM 369 C LYS A 30 10.198 5.651 -1.085 1.00 0.00 C ATOM 370 O LYS A 30 9.980 6.287 -0.054 1.00 0.00 O ATOM 371 CB LYS A 30 9.491 7.717 -2.307 1.00 0.00 C ATOM 372 CG LYS A 30 9.448 8.501 -3.607 1.00 0.00 C ATOM 373 CD LYS A 30 10.744 9.258 -3.845 1.00 0.00 C ATOM 374 CE LYS A 30 10.863 10.463 -2.925 1.00 0.00 C ATOM 375 NZ LYS A 30 10.166 11.656 -3.481 1.00 0.00 N ATOM 0 H LYS A 30 8.362 5.794 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 30 11.126 6.429 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.477 7.612 -1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.056 8.285 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.266 7.820 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.615 9.203 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.591 8.591 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.790 9.586 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.442 10.218 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.916 10.698 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.270 12.456 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.584 11.905 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.156 11.441 -3.607 1.00 0.00 H new ATOM 389 N SER A 31 10.514 4.360 -1.087 1.00 0.00 N ATOM 390 CA SER A 31 10.623 3.599 0.152 1.00 0.00 C ATOM 391 C SER A 31 11.901 3.962 0.903 1.00 0.00 C ATOM 392 O SER A 31 11.887 4.149 2.119 1.00 0.00 O ATOM 393 CB SER A 31 10.601 2.098 -0.144 1.00 0.00 C ATOM 394 OG SER A 31 10.778 1.342 1.041 1.00 0.00 O ATOM 0 H SER A 31 10.699 3.820 -1.932 1.00 0.00 H new ATOM 0 HA SER A 31 9.769 3.851 0.781 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.654 1.830 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.389 1.853 -0.856 1.00 0.00 H new ATOM 0 HG SER A 31 9.997 0.768 1.182 1.00 0.00 H new ATOM 400 N SER A 32 13.004 4.058 0.168 1.00 0.00 N ATOM 401 CA SER A 32 14.292 4.395 0.763 1.00 0.00 C ATOM 402 C SER A 32 15.103 5.292 -0.167 1.00 0.00 C ATOM 403 O SER A 32 14.992 5.199 -1.390 1.00 0.00 O ATOM 404 CB SER A 32 15.080 3.122 1.078 1.00 0.00 C ATOM 405 OG SER A 32 15.685 2.595 -0.090 1.00 0.00 O ATOM 0 H SER A 32 13.032 3.907 -0.840 1.00 0.00 H new ATOM 0 HA SER A 32 14.105 4.938 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.846 3.340 1.822 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.415 2.377 1.514 1.00 0.00 H new ATOM 0 HG SER A 32 16.184 1.783 0.138 1.00 0.00 H new ATOM 411 N ASP A 33 15.917 6.161 0.421 1.00 0.00 N ATOM 412 CA ASP A 33 16.748 7.075 -0.353 1.00 0.00 C ATOM 413 C ASP A 33 17.589 6.314 -1.374 1.00 0.00 C ATOM 414 O ASP A 33 17.690 6.715 -2.533 1.00 0.00 O ATOM 415 CB ASP A 33 17.658 7.882 0.575 1.00 0.00 C ATOM 416 CG ASP A 33 18.629 7.004 1.340 1.00 0.00 C ATOM 417 OD1 ASP A 33 18.270 6.545 2.445 1.00 0.00 O ATOM 418 OD2 ASP A 33 19.747 6.776 0.834 1.00 0.00 O ATOM 0 H ASP A 33 16.019 6.252 1.432 1.00 0.00 H new ATOM 0 HA ASP A 33 16.090 7.759 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.217 8.611 -0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.046 8.443 1.281 1.00 0.00 H new ATOM 423 N ASP A 34 18.190 5.214 -0.934 1.00 0.00 N ATOM 424 CA ASP A 34 19.022 4.396 -1.809 1.00 0.00 C ATOM 425 C ASP A 34 18.403 4.283 -3.198 1.00 0.00 C ATOM 426 O ASP A 34 17.201 4.485 -3.370 1.00 0.00 O ATOM 427 CB ASP A 34 19.215 3.002 -1.208 1.00 0.00 C ATOM 428 CG ASP A 34 20.253 2.987 -0.103 1.00 0.00 C ATOM 429 OD1 ASP A 34 21.162 3.843 -0.131 1.00 0.00 O ATOM 430 OD2 ASP A 34 20.157 2.119 0.790 1.00 0.00 O ATOM 0 H ASP A 34 18.117 4.868 0.023 1.00 0.00 H new ATOM 0 HA ASP A 34 19.994 4.881 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.264 2.644 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.515 2.309 -1.994 1.00 0.00 H new ATOM 435 N GLN A 35 19.232 3.960 -4.186 1.00 0.00 N ATOM 436 CA GLN A 35 18.765 3.822 -5.560 1.00 0.00 C ATOM 437 C GLN A 35 17.437 3.073 -5.611 1.00 0.00 C ATOM 438 O GLN A 35 16.462 3.554 -6.189 1.00 0.00 O ATOM 439 CB GLN A 35 19.809 3.091 -6.405 1.00 0.00 C ATOM 440 CG GLN A 35 21.082 3.892 -6.626 1.00 0.00 C ATOM 441 CD GLN A 35 22.161 3.092 -7.329 1.00 0.00 C ATOM 442 OE1 GLN A 35 22.219 3.052 -8.558 1.00 0.00 O ATOM 443 NE2 GLN A 35 23.023 2.448 -6.551 1.00 0.00 N ATOM 0 H GLN A 35 20.230 3.789 -4.060 1.00 0.00 H new ATOM 0 HA GLN A 35 18.613 4.822 -5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 35 20.062 2.149 -5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.373 2.844 -7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 35 20.851 4.779 -7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 35 21.460 4.238 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 35 22.938 2.509 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 35 23.770 1.893 -6.968 1.00 0.00 H new ATOM 452 N LYS A 36 17.406 1.892 -5.004 1.00 0.00 N ATOM 453 CA LYS A 36 16.199 1.075 -4.979 1.00 0.00 C ATOM 454 C LYS A 36 16.388 -0.149 -4.089 1.00 0.00 C ATOM 455 O LYS A 36 17.506 -0.462 -3.677 1.00 0.00 O ATOM 456 CB LYS A 36 15.826 0.635 -6.397 1.00 0.00 C ATOM 457 CG LYS A 36 16.855 -0.277 -7.041 1.00 0.00 C ATOM 458 CD LYS A 36 16.215 -1.217 -8.048 1.00 0.00 C ATOM 459 CE LYS A 36 15.833 -0.487 -9.327 1.00 0.00 C ATOM 460 NZ LYS A 36 14.466 0.098 -9.244 1.00 0.00 N ATOM 0 H LYS A 36 18.204 1.479 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 36 15.390 1.680 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.865 0.121 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.696 1.520 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.616 0.325 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.361 -0.858 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.906 -2.026 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.328 -1.673 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.556 0.305 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.882 -1.178 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.088 0.234 -10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.844 -0.546 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.510 1.015 -8.756 1.00 0.00 H new ATOM 474 N ILE A 37 15.290 -0.839 -3.797 1.00 0.00 N ATOM 475 CA ILE A 37 15.337 -2.030 -2.958 1.00 0.00 C ATOM 476 C ILE A 37 15.184 -3.296 -3.793 1.00 0.00 C ATOM 477 O ILE A 37 14.407 -3.333 -4.748 1.00 0.00 O ATOM 478 CB ILE A 37 14.236 -2.003 -1.881 1.00 0.00 C ATOM 479 CG1 ILE A 37 14.270 -0.676 -1.120 1.00 0.00 C ATOM 480 CG2 ILE A 37 14.404 -3.174 -0.924 1.00 0.00 C ATOM 481 CD1 ILE A 37 12.984 -0.369 -0.384 1.00 0.00 C ATOM 0 H ILE A 37 14.357 -0.593 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 37 16.312 -2.035 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 37 13.266 -2.095 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 37 15.092 -0.697 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 37 14.479 0.131 -1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.619 -3.142 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.336 -4.110 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.378 -3.110 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 37 13.080 0.586 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.161 -0.315 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.784 -1.156 0.343 1.00 0.00 H new ATOM 493 N ILE A 38 15.930 -4.333 -3.427 1.00 0.00 N ATOM 494 CA ILE A 38 15.876 -5.603 -4.141 1.00 0.00 C ATOM 495 C ILE A 38 14.814 -6.523 -3.546 1.00 0.00 C ATOM 496 O ILE A 38 14.903 -7.745 -3.660 1.00 0.00 O ATOM 497 CB ILE A 38 17.237 -6.323 -4.113 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.706 -6.518 -2.670 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.268 -5.538 -4.909 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.967 -7.344 -2.551 1.00 0.00 C ATOM 0 H ILE A 38 16.579 -4.319 -2.640 1.00 0.00 H new ATOM 0 HA ILE A 38 15.617 -5.373 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 38 17.122 -7.304 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.877 -5.541 -2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.911 -6.999 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.225 -6.060 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.936 -5.446 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.383 -4.545 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 38 19.241 -7.441 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.795 -8.334 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.776 -6.853 -3.093 1.00 0.00 H new ATOM 512 N SER A 39 13.809 -5.926 -2.913 1.00 0.00 N ATOM 513 CA SER A 39 12.731 -6.691 -2.298 1.00 0.00 C ATOM 514 C SER A 39 11.488 -5.826 -2.114 1.00 0.00 C ATOM 515 O SER A 39 11.581 -4.660 -1.731 1.00 0.00 O ATOM 516 CB SER A 39 13.181 -7.252 -0.948 1.00 0.00 C ATOM 517 OG SER A 39 12.079 -7.755 -0.212 1.00 0.00 O ATOM 0 H SER A 39 13.719 -4.915 -2.813 1.00 0.00 H new ATOM 0 HA SER A 39 12.481 -7.519 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.910 -8.047 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.680 -6.471 -0.374 1.00 0.00 H new ATOM 0 HG SER A 39 12.393 -8.109 0.646 1.00 0.00 H new ATOM 523 N TYR A 40 10.325 -6.407 -2.389 1.00 0.00 N ATOM 524 CA TYR A 40 9.063 -5.690 -2.256 1.00 0.00 C ATOM 525 C TYR A 40 7.926 -6.647 -1.913 1.00 0.00 C ATOM 526 O TYR A 40 7.672 -7.613 -2.635 1.00 0.00 O ATOM 527 CB TYR A 40 8.740 -4.939 -3.549 1.00 0.00 C ATOM 528 CG TYR A 40 9.710 -3.822 -3.859 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.747 -2.671 -3.079 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.589 -3.915 -4.930 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.631 -1.648 -3.359 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.478 -2.897 -5.216 1.00 0.00 C ATOM 533 CZ TYR A 40 11.495 -1.765 -4.428 1.00 0.00 C ATOM 534 OH TYR A 40 12.378 -0.748 -4.711 1.00 0.00 O ATOM 0 H TYR A 40 10.231 -7.372 -2.705 1.00 0.00 H new ATOM 0 HA TYR A 40 9.167 -4.972 -1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.736 -5.646 -4.379 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.734 -4.526 -3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.073 -2.576 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.577 -4.799 -5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.646 -0.760 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.156 -2.987 -6.052 1.00 0.00 H new ATOM 0 HH TYR A 40 12.915 -0.990 -5.494 1.00 0.00 H new ATOM 544 N LEU A 41 7.243 -6.373 -0.807 1.00 0.00 N ATOM 545 CA LEU A 41 6.131 -7.208 -0.367 1.00 0.00 C ATOM 546 C LEU A 41 4.964 -6.353 0.114 1.00 0.00 C ATOM 547 O LEU A 41 5.161 -5.320 0.754 1.00 0.00 O ATOM 548 CB LEU A 41 6.585 -8.148 0.751 1.00 0.00 C ATOM 549 CG LEU A 41 5.646 -9.311 1.074 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.477 -10.212 -0.139 1.00 0.00 C ATOM 551 CD2 LEU A 41 6.169 -10.105 2.262 1.00 0.00 C ATOM 0 H LEU A 41 7.440 -5.579 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 41 5.795 -7.801 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.558 -8.558 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.727 -7.560 1.658 1.00 0.00 H new ATOM 0 HG LEU A 41 4.670 -8.903 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.806 -11.034 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.057 -9.637 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.447 -10.612 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.488 -10.928 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.156 -10.503 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.238 -9.454 3.133 1.00 0.00 H new ATOM 563 N TRP A 42 3.749 -6.790 -0.196 1.00 0.00 N ATOM 564 CA TRP A 42 2.549 -6.065 0.207 1.00 0.00 C ATOM 565 C TRP A 42 1.503 -7.017 0.776 1.00 0.00 C ATOM 566 O TRP A 42 1.030 -7.918 0.084 1.00 0.00 O ATOM 567 CB TRP A 42 1.967 -5.300 -0.983 1.00 0.00 C ATOM 568 CG TRP A 42 2.698 -4.027 -1.286 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.679 -3.848 -2.219 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.507 -2.758 -0.653 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.110 -2.543 -2.204 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.406 -1.854 -1.252 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.664 -2.296 0.361 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.483 -0.517 -0.869 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.742 -0.969 0.741 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.646 -0.092 0.126 1.00 0.00 C ATOM 0 H TRP A 42 3.568 -7.643 -0.725 1.00 0.00 H new ATOM 0 HA TRP A 42 2.828 -5.355 0.985 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.989 -5.942 -1.864 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.921 -5.071 -0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.060 -4.619 -2.873 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.836 -2.151 -2.804 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.963 -2.964 0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.179 0.160 -1.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.096 -0.602 1.525 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.682 0.940 0.444 1.00 0.00 H new ATOM 587 N GLU A 43 1.147 -6.811 2.040 1.00 0.00 N ATOM 588 CA GLU A 43 0.157 -7.653 2.701 1.00 0.00 C ATOM 589 C GLU A 43 -0.724 -6.827 3.635 1.00 0.00 C ATOM 590 O GLU A 43 -0.265 -5.863 4.249 1.00 0.00 O ATOM 591 CB GLU A 43 0.847 -8.769 3.488 1.00 0.00 C ATOM 592 CG GLU A 43 1.533 -9.800 2.607 1.00 0.00 C ATOM 593 CD GLU A 43 2.067 -10.979 3.397 1.00 0.00 C ATOM 594 OE1 GLU A 43 1.248 -11.745 3.945 1.00 0.00 O ATOM 595 OE2 GLU A 43 3.304 -11.134 3.467 1.00 0.00 O ATOM 0 H GLU A 43 1.529 -6.069 2.626 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.475 -8.098 1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.585 -8.327 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.109 -9.271 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.828 -10.159 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.354 -9.325 2.070 1.00 0.00 H new ATOM 602 N LYS A 44 -1.992 -7.210 3.736 1.00 0.00 N ATOM 603 CA LYS A 44 -2.938 -6.508 4.594 1.00 0.00 C ATOM 604 C LYS A 44 -2.864 -7.028 6.026 1.00 0.00 C ATOM 605 O LYS A 44 -3.155 -8.195 6.290 1.00 0.00 O ATOM 606 CB LYS A 44 -4.362 -6.666 4.056 1.00 0.00 C ATOM 607 CG LYS A 44 -5.427 -6.096 4.976 1.00 0.00 C ATOM 608 CD LYS A 44 -6.718 -5.814 4.226 1.00 0.00 C ATOM 609 CE LYS A 44 -7.450 -7.099 3.873 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.870 -6.845 3.501 1.00 0.00 N ATOM 0 H LYS A 44 -2.388 -8.004 3.233 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.672 -5.451 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.431 -6.174 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.564 -7.725 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.622 -6.798 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.061 -5.176 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.364 -5.182 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.497 -5.258 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.940 -7.591 3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.414 -7.782 4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.225 -7.636 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.445 -6.758 4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.933 -5.964 2.953 1.00 0.00 H new ATOM 624 N THR A 45 -2.474 -6.154 6.949 1.00 0.00 N ATOM 625 CA THR A 45 -2.362 -6.526 8.354 1.00 0.00 C ATOM 626 C THR A 45 -3.720 -6.476 9.045 1.00 0.00 C ATOM 627 O THR A 45 -4.128 -7.436 9.699 1.00 0.00 O ATOM 628 CB THR A 45 -1.383 -5.602 9.103 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.385 -4.300 8.507 1.00 0.00 O ATOM 630 CG2 THR A 45 0.026 -6.173 9.081 1.00 0.00 C ATOM 0 H THR A 45 -2.231 -5.184 6.749 1.00 0.00 H new ATOM 0 HA THR A 45 -1.980 -7.547 8.382 1.00 0.00 H new ATOM 0 HB THR A 45 -1.711 -5.527 10.140 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.276 -4.107 8.147 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.699 -5.503 9.616 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.030 -7.151 9.562 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.361 -6.275 8.049 1.00 0.00 H new ATOM 638 N GLN A 46 -4.415 -5.354 8.895 1.00 0.00 N ATOM 639 CA GLN A 46 -5.727 -5.181 9.506 1.00 0.00 C ATOM 640 C GLN A 46 -6.774 -4.825 8.456 1.00 0.00 C ATOM 641 O GLN A 46 -6.461 -4.691 7.274 1.00 0.00 O ATOM 642 CB GLN A 46 -5.675 -4.092 10.580 1.00 0.00 C ATOM 643 CG GLN A 46 -5.350 -4.622 11.967 1.00 0.00 C ATOM 644 CD GLN A 46 -5.101 -3.513 12.971 1.00 0.00 C ATOM 645 OE1 GLN A 46 -4.159 -2.733 12.831 1.00 0.00 O ATOM 646 NE2 GLN A 46 -5.947 -3.438 13.992 1.00 0.00 N ATOM 0 H GLN A 46 -4.092 -4.551 8.356 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.010 -6.126 9.970 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.927 -3.351 10.299 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.636 -3.579 10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.173 -5.245 12.316 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.469 -5.261 11.911 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.714 -4.106 14.069 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.829 -2.713 14.699 1.00 0.00 H new ATOM 655 N GLY A 47 -8.020 -4.674 8.896 1.00 0.00 N ATOM 656 CA GLY A 47 -9.094 -4.335 7.980 1.00 0.00 C ATOM 657 C GLY A 47 -9.949 -5.534 7.621 1.00 0.00 C ATOM 658 O GLY A 47 -9.593 -6.681 7.893 1.00 0.00 O ATOM 0 H GLY A 47 -8.305 -4.780 9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.722 -3.566 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.671 -3.909 7.070 1.00 0.00 H new ATOM 662 N PRO A 48 -11.106 -5.274 6.995 1.00 0.00 N ATOM 663 CA PRO A 48 -12.039 -6.328 6.586 1.00 0.00 C ATOM 664 C PRO A 48 -11.494 -7.170 5.437 1.00 0.00 C ATOM 665 O PRO A 48 -11.339 -6.683 4.317 1.00 0.00 O ATOM 666 CB PRO A 48 -13.279 -5.551 6.138 1.00 0.00 C ATOM 667 CG PRO A 48 -12.762 -4.213 5.735 1.00 0.00 C ATOM 668 CD PRO A 48 -11.594 -3.931 6.639 1.00 0.00 C ATOM 0 HA PRO A 48 -12.232 -7.037 7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.779 -6.049 5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.007 -5.468 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.455 -4.212 4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.532 -3.449 5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.826 -3.346 6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.896 -3.366 7.521 1.00 0.00 H new ATOM 676 N ASP A 49 -11.206 -8.435 5.722 1.00 0.00 N ATOM 677 CA ASP A 49 -10.680 -9.346 4.712 1.00 0.00 C ATOM 678 C ASP A 49 -11.636 -9.456 3.528 1.00 0.00 C ATOM 679 O ASP A 49 -12.843 -9.612 3.705 1.00 0.00 O ATOM 680 CB ASP A 49 -10.438 -10.729 5.318 1.00 0.00 C ATOM 681 CG ASP A 49 -9.319 -11.479 4.621 1.00 0.00 C ATOM 682 OD1 ASP A 49 -9.416 -11.681 3.392 1.00 0.00 O ATOM 683 OD2 ASP A 49 -8.347 -11.865 5.304 1.00 0.00 O ATOM 0 H ASP A 49 -11.328 -8.853 6.644 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.732 -8.944 4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.196 -10.622 6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.356 -11.314 5.259 1.00 0.00 H new ATOM 688 N GLY A 50 -11.087 -9.371 2.320 1.00 0.00 N ATOM 689 CA GLY A 50 -11.905 -9.462 1.125 1.00 0.00 C ATOM 690 C GLY A 50 -11.246 -8.821 -0.079 1.00 0.00 C ATOM 691 O GLY A 50 -11.255 -9.383 -1.174 1.00 0.00 O ATOM 0 H GLY A 50 -10.090 -9.241 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.110 -10.510 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.866 -8.981 1.309 1.00 0.00 H new ATOM 695 N VAL A 51 -10.672 -7.638 0.122 1.00 0.00 N ATOM 696 CA VAL A 51 -10.005 -6.919 -0.957 1.00 0.00 C ATOM 697 C VAL A 51 -9.090 -7.845 -1.752 1.00 0.00 C ATOM 698 O VAL A 51 -8.837 -8.979 -1.347 1.00 0.00 O ATOM 699 CB VAL A 51 -9.178 -5.738 -0.417 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.013 -4.890 0.530 1.00 0.00 C ATOM 701 CG2 VAL A 51 -7.920 -6.241 0.274 1.00 0.00 C ATOM 0 H VAL A 51 -10.656 -7.158 1.022 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.787 -6.536 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.878 -5.113 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.412 -4.060 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.881 -4.500 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.345 -5.501 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.347 -5.393 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.196 -6.889 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.314 -6.802 -0.437 1.00 0.00 H new ATOM 711 N GLN A 52 -8.597 -7.352 -2.883 1.00 0.00 N ATOM 712 CA GLN A 52 -7.710 -8.135 -3.734 1.00 0.00 C ATOM 713 C GLN A 52 -6.427 -7.368 -4.037 1.00 0.00 C ATOM 714 O GLN A 52 -6.460 -6.301 -4.652 1.00 0.00 O ATOM 715 CB GLN A 52 -8.417 -8.505 -5.040 1.00 0.00 C ATOM 716 CG GLN A 52 -9.319 -9.723 -4.919 1.00 0.00 C ATOM 717 CD GLN A 52 -10.014 -10.065 -6.222 1.00 0.00 C ATOM 718 OE1 GLN A 52 -10.819 -9.286 -6.733 1.00 0.00 O ATOM 719 NE2 GLN A 52 -9.707 -11.236 -6.767 1.00 0.00 N ATOM 0 H GLN A 52 -8.797 -6.414 -3.231 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.448 -9.048 -3.199 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.011 -7.655 -5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.667 -8.693 -5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.727 -10.578 -4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.068 -9.541 -4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.034 -11.851 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.144 -11.521 -7.644 1.00 0.00 H new ATOM 728 N LEU A 53 -5.299 -7.916 -3.600 1.00 0.00 N ATOM 729 CA LEU A 53 -4.004 -7.283 -3.824 1.00 0.00 C ATOM 730 C LEU A 53 -3.319 -7.865 -5.056 1.00 0.00 C ATOM 731 O LEU A 53 -3.186 -9.081 -5.187 1.00 0.00 O ATOM 732 CB LEU A 53 -3.109 -7.460 -2.596 1.00 0.00 C ATOM 733 CG LEU A 53 -3.191 -6.357 -1.540 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.915 -6.922 -0.155 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.216 -5.234 -1.864 1.00 0.00 C ATOM 0 H LEU A 53 -5.255 -8.797 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.171 -6.219 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.361 -8.409 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.075 -7.536 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.201 -5.948 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.978 -6.123 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.652 -7.690 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.917 -7.359 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.288 -4.458 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.200 -5.629 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.460 -4.810 -2.838 1.00 0.00 H new ATOM 747 N GLU A 54 -2.883 -6.987 -5.954 1.00 0.00 N ATOM 748 CA GLU A 54 -2.210 -7.415 -7.175 1.00 0.00 C ATOM 749 C GLU A 54 -0.779 -6.888 -7.220 1.00 0.00 C ATOM 750 O GLU A 54 -0.505 -5.767 -6.795 1.00 0.00 O ATOM 751 CB GLU A 54 -2.982 -6.934 -8.405 1.00 0.00 C ATOM 752 CG GLU A 54 -4.145 -7.835 -8.785 1.00 0.00 C ATOM 753 CD GLU A 54 -5.273 -7.078 -9.458 1.00 0.00 C ATOM 754 OE1 GLU A 54 -4.995 -6.043 -10.098 1.00 0.00 O ATOM 755 OE2 GLU A 54 -6.435 -7.523 -9.345 1.00 0.00 O ATOM 0 H GLU A 54 -2.984 -5.976 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.178 -8.505 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.359 -5.929 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.296 -6.864 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.789 -8.619 -9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.526 -8.327 -7.890 1.00 0.00 H new ATOM 762 N ASN A 55 0.131 -7.706 -7.739 1.00 0.00 N ATOM 763 CA ASN A 55 1.535 -7.324 -7.840 1.00 0.00 C ATOM 764 C ASN A 55 2.108 -6.994 -6.465 1.00 0.00 C ATOM 765 O ASN A 55 3.050 -6.211 -6.346 1.00 0.00 O ATOM 766 CB ASN A 55 1.692 -6.121 -8.772 1.00 0.00 C ATOM 767 CG ASN A 55 1.794 -6.528 -10.229 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.764 -7.165 -10.641 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.791 -6.162 -11.018 1.00 0.00 N ATOM 0 H ASN A 55 -0.079 -8.638 -8.096 1.00 0.00 H new ATOM 0 HA ASN A 55 2.087 -8.169 -8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.841 -5.452 -8.643 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.584 -5.561 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.805 -6.408 -12.008 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.007 -5.635 -10.634 1.00 0.00 H new ATOM 776 N ALA A 56 1.533 -7.597 -5.430 1.00 0.00 N ATOM 777 CA ALA A 56 1.989 -7.370 -4.064 1.00 0.00 C ATOM 778 C ALA A 56 3.494 -7.581 -3.945 1.00 0.00 C ATOM 779 O ALA A 56 4.136 -7.047 -3.041 1.00 0.00 O ATOM 780 CB ALA A 56 1.247 -8.286 -3.101 1.00 0.00 C ATOM 0 H ALA A 56 0.751 -8.246 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 56 1.773 -6.334 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.597 -8.106 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.177 -8.084 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.434 -9.325 -3.370 1.00 0.00 H new ATOM 786 N ASN A 57 4.052 -8.365 -4.862 1.00 0.00 N ATOM 787 CA ASN A 57 5.482 -8.648 -4.859 1.00 0.00 C ATOM 788 C ASN A 57 6.245 -7.603 -5.667 1.00 0.00 C ATOM 789 O ASN A 57 7.331 -7.872 -6.181 1.00 0.00 O ATOM 790 CB ASN A 57 5.749 -10.043 -5.427 1.00 0.00 C ATOM 791 CG ASN A 57 5.734 -11.116 -4.355 1.00 0.00 C ATOM 792 OD1 ASN A 57 6.548 -11.098 -3.432 1.00 0.00 O ATOM 793 ND2 ASN A 57 4.806 -12.058 -4.475 1.00 0.00 N ATOM 0 H ASN A 57 3.535 -8.816 -5.617 1.00 0.00 H new ATOM 0 HA ASN A 57 5.832 -8.611 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.997 -10.276 -6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.716 -10.049 -5.930 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.747 -12.807 -3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.152 -12.033 -5.257 1.00 0.00 H new ATOM 800 N SER A 58 5.670 -6.410 -5.775 1.00 0.00 N ATOM 801 CA SER A 58 6.294 -5.325 -6.523 1.00 0.00 C ATOM 802 C SER A 58 6.248 -4.022 -5.731 1.00 0.00 C ATOM 803 O SER A 58 5.507 -3.901 -4.756 1.00 0.00 O ATOM 804 CB SER A 58 5.595 -5.139 -7.872 1.00 0.00 C ATOM 805 OG SER A 58 6.477 -4.581 -8.831 1.00 0.00 O ATOM 0 H SER A 58 4.773 -6.170 -5.354 1.00 0.00 H new ATOM 0 HA SER A 58 7.337 -5.589 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.225 -6.100 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.728 -4.490 -7.749 1.00 0.00 H new ATOM 0 HG SER A 58 6.007 -4.474 -9.684 1.00 0.00 H new ATOM 811 N SER A 59 7.047 -3.049 -6.157 1.00 0.00 N ATOM 812 CA SER A 59 7.102 -1.755 -5.486 1.00 0.00 C ATOM 813 C SER A 59 5.741 -1.067 -5.522 1.00 0.00 C ATOM 814 O SER A 59 5.402 -0.290 -4.629 1.00 0.00 O ATOM 815 CB SER A 59 8.156 -0.861 -6.142 1.00 0.00 C ATOM 816 OG SER A 59 7.928 -0.741 -7.535 1.00 0.00 O ATOM 0 H SER A 59 7.665 -3.132 -6.964 1.00 0.00 H new ATOM 0 HA SER A 59 7.377 -1.924 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.137 0.127 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.149 -1.276 -5.967 1.00 0.00 H new ATOM 0 HG SER A 59 8.614 -0.163 -7.930 1.00 0.00 H new ATOM 822 N VAL A 60 4.965 -1.356 -6.562 1.00 0.00 N ATOM 823 CA VAL A 60 3.641 -0.767 -6.715 1.00 0.00 C ATOM 824 C VAL A 60 2.556 -1.837 -6.686 1.00 0.00 C ATOM 825 O VAL A 60 2.465 -2.668 -7.589 1.00 0.00 O ATOM 826 CB VAL A 60 3.529 0.027 -8.030 1.00 0.00 C ATOM 827 CG1 VAL A 60 2.183 0.730 -8.117 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.670 1.025 -8.149 1.00 0.00 C ATOM 0 H VAL A 60 5.231 -1.995 -7.311 1.00 0.00 H new ATOM 0 HA VAL A 60 3.498 -0.087 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 60 3.601 -0.672 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.123 1.286 -9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.383 -0.010 -8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.077 1.419 -7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.575 1.577 -9.084 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.633 1.721 -7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.621 0.493 -8.137 1.00 0.00 H new ATOM 838 N ALA A 61 1.734 -1.811 -5.642 1.00 0.00 N ATOM 839 CA ALA A 61 0.653 -2.778 -5.496 1.00 0.00 C ATOM 840 C ALA A 61 -0.704 -2.124 -5.733 1.00 0.00 C ATOM 841 O ALA A 61 -0.867 -0.919 -5.536 1.00 0.00 O ATOM 842 CB ALA A 61 0.699 -3.417 -4.116 1.00 0.00 C ATOM 0 H ALA A 61 1.796 -1.131 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 61 0.789 -3.555 -6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.114 -4.137 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.653 -3.927 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.591 -2.645 -3.354 1.00 0.00 H new ATOM 848 N THR A 62 -1.676 -2.925 -6.157 1.00 0.00 N ATOM 849 CA THR A 62 -3.019 -2.424 -6.422 1.00 0.00 C ATOM 850 C THR A 62 -4.066 -3.225 -5.658 1.00 0.00 C ATOM 851 O THR A 62 -4.195 -4.435 -5.845 1.00 0.00 O ATOM 852 CB THR A 62 -3.349 -2.472 -7.926 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.491 -1.578 -8.645 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.802 -2.097 -8.173 1.00 0.00 C ATOM 0 H THR A 62 -1.558 -3.924 -6.324 1.00 0.00 H new ATOM 0 HA THR A 62 -3.042 -1.388 -6.085 1.00 0.00 H new ATOM 0 HB THR A 62 -3.188 -3.491 -8.278 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.706 -1.616 -9.600 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.012 -2.138 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.453 -2.797 -7.649 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.985 -1.087 -7.806 1.00 0.00 H new ATOM 862 N VAL A 63 -4.813 -2.543 -4.795 1.00 0.00 N ATOM 863 CA VAL A 63 -5.851 -3.192 -4.003 1.00 0.00 C ATOM 864 C VAL A 63 -7.240 -2.840 -4.524 1.00 0.00 C ATOM 865 O VAL A 63 -7.638 -1.675 -4.528 1.00 0.00 O ATOM 866 CB VAL A 63 -5.756 -2.794 -2.519 1.00 0.00 C ATOM 867 CG1 VAL A 63 -6.860 -3.463 -1.714 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.386 -3.150 -1.959 1.00 0.00 C ATOM 0 H VAL A 63 -4.718 -1.541 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.693 -4.267 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.886 -1.715 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.776 -3.170 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.831 -3.154 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.765 -4.546 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.336 -2.862 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.224 -4.224 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.615 -2.619 -2.518 1.00 0.00 H new ATOM 878 N THR A 64 -7.976 -3.856 -4.963 1.00 0.00 N ATOM 879 CA THR A 64 -9.322 -3.655 -5.487 1.00 0.00 C ATOM 880 C THR A 64 -10.370 -4.246 -4.552 1.00 0.00 C ATOM 881 O THR A 64 -10.045 -5.002 -3.638 1.00 0.00 O ATOM 882 CB THR A 64 -9.481 -4.287 -6.883 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.615 -5.707 -6.766 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.287 -3.956 -7.766 1.00 0.00 C ATOM 0 H THR A 64 -7.663 -4.827 -4.966 1.00 0.00 H new ATOM 0 HA THR A 64 -9.474 -2.578 -5.564 1.00 0.00 H new ATOM 0 HB THR A 64 -10.379 -3.875 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.717 -6.100 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.422 -4.413 -8.746 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.206 -2.875 -7.878 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.377 -4.343 -7.307 1.00 0.00 H new ATOM 892 N GLY A 65 -11.631 -3.897 -4.788 1.00 0.00 N ATOM 893 CA GLY A 65 -12.709 -4.404 -3.958 1.00 0.00 C ATOM 894 C GLY A 65 -12.739 -3.755 -2.588 1.00 0.00 C ATOM 895 O GLY A 65 -12.990 -4.422 -1.583 1.00 0.00 O ATOM 0 H GLY A 65 -11.926 -3.272 -5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.661 -4.232 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.599 -5.482 -3.844 1.00 0.00 H new ATOM 899 N LEU A 66 -12.482 -2.453 -2.546 1.00 0.00 N ATOM 900 CA LEU A 66 -12.479 -1.713 -1.288 1.00 0.00 C ATOM 901 C LEU A 66 -13.888 -1.262 -0.919 1.00 0.00 C ATOM 902 O LEU A 66 -14.688 -0.920 -1.789 1.00 0.00 O ATOM 903 CB LEU A 66 -11.552 -0.500 -1.389 1.00 0.00 C ATOM 904 CG LEU A 66 -10.055 -0.789 -1.281 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.255 0.242 -2.061 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.620 -0.811 0.177 1.00 0.00 C ATOM 0 H LEU A 66 -12.273 -1.887 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.113 -2.377 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.738 -0.004 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.823 0.206 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.862 -1.771 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.191 0.020 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.546 0.210 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.453 1.236 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.551 -1.018 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.827 0.157 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.169 -1.588 0.709 1.00 0.00 H new ATOM 918 N GLN A 67 -14.183 -1.262 0.377 1.00 0.00 N ATOM 919 CA GLN A 67 -15.496 -0.851 0.861 1.00 0.00 C ATOM 920 C GLN A 67 -15.367 0.047 2.087 1.00 0.00 C ATOM 921 O GLN A 67 -14.401 -0.052 2.843 1.00 0.00 O ATOM 922 CB GLN A 67 -16.345 -2.077 1.199 1.00 0.00 C ATOM 923 CG GLN A 67 -16.483 -3.059 0.047 1.00 0.00 C ATOM 924 CD GLN A 67 -17.736 -3.906 0.148 1.00 0.00 C ATOM 925 OE1 GLN A 67 -17.790 -4.866 0.917 1.00 0.00 O ATOM 926 NE2 GLN A 67 -18.754 -3.554 -0.629 1.00 0.00 N ATOM 0 H GLN A 67 -13.531 -1.542 1.110 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.987 -0.286 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.902 -2.591 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.338 -1.748 1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.496 -2.509 -0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.610 -3.711 0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.666 -2.751 -1.252 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -19.624 -4.087 -0.603 1.00 0.00 H new ATOM 935 N VAL A 68 -16.347 0.925 2.277 1.00 0.00 N ATOM 936 CA VAL A 68 -16.344 1.840 3.411 1.00 0.00 C ATOM 937 C VAL A 68 -15.795 1.164 4.662 1.00 0.00 C ATOM 938 O VAL A 68 -16.480 0.365 5.300 1.00 0.00 O ATOM 939 CB VAL A 68 -17.759 2.372 3.708 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.724 3.377 4.849 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.368 2.992 2.459 1.00 0.00 C ATOM 0 H VAL A 68 -17.153 1.021 1.660 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.699 2.676 3.140 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.386 1.534 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.733 3.741 5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.332 2.896 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.082 4.215 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.367 3.363 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.743 3.819 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.431 2.240 1.673 1.00 0.00 H new ATOM 951 N GLY A 69 -14.553 1.490 5.008 1.00 0.00 N ATOM 952 CA GLY A 69 -13.933 0.905 6.183 1.00 0.00 C ATOM 953 C GLY A 69 -12.471 1.284 6.315 1.00 0.00 C ATOM 954 O GLY A 69 -11.980 2.159 5.600 1.00 0.00 O ATOM 0 H GLY A 69 -13.966 2.148 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.471 1.229 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.021 -0.180 6.135 1.00 0.00 H new ATOM 958 N THR A 70 -11.771 0.625 7.233 1.00 0.00 N ATOM 959 CA THR A 70 -10.358 0.899 7.459 1.00 0.00 C ATOM 960 C THR A 70 -9.492 -0.271 7.006 1.00 0.00 C ATOM 961 O THR A 70 -9.742 -1.420 7.371 1.00 0.00 O ATOM 962 CB THR A 70 -10.072 1.188 8.945 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.997 0.471 9.771 1.00 0.00 O ATOM 964 CG2 THR A 70 -10.175 2.678 9.236 1.00 0.00 C ATOM 0 H THR A 70 -12.160 -0.103 7.832 1.00 0.00 H new ATOM 0 HA THR A 70 -10.110 1.782 6.870 1.00 0.00 H new ATOM 0 HB THR A 70 -9.057 0.859 9.167 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.807 0.659 10.714 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.969 2.858 10.291 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.450 3.219 8.628 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.180 3.027 8.998 1.00 0.00 H new ATOM 972 N TYR A 71 -8.472 0.028 6.209 1.00 0.00 N ATOM 973 CA TYR A 71 -7.569 -0.999 5.704 1.00 0.00 C ATOM 974 C TYR A 71 -6.117 -0.650 6.016 1.00 0.00 C ATOM 975 O TYR A 71 -5.631 0.419 5.647 1.00 0.00 O ATOM 976 CB TYR A 71 -7.752 -1.171 4.195 1.00 0.00 C ATOM 977 CG TYR A 71 -9.116 -1.695 3.806 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.167 -0.824 3.547 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.353 -3.059 3.697 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.416 -1.298 3.191 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.598 -3.542 3.341 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.626 -2.657 3.089 1.00 0.00 C ATOM 983 OH TYR A 71 -12.867 -3.133 2.736 1.00 0.00 O ATOM 0 H TYR A 71 -8.250 0.974 5.899 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.812 -1.938 6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.588 -0.211 3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.989 -1.854 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.006 0.241 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.550 -3.754 3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.223 -0.608 2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.765 -4.606 3.261 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.794 -4.075 2.477 1.00 0.00 H new ATOM 993 N VAL A 72 -5.429 -1.561 6.697 1.00 0.00 N ATOM 994 CA VAL A 72 -4.032 -1.352 7.057 1.00 0.00 C ATOM 995 C VAL A 72 -3.118 -2.296 6.285 1.00 0.00 C ATOM 996 O VAL A 72 -3.060 -3.493 6.570 1.00 0.00 O ATOM 997 CB VAL A 72 -3.806 -1.556 8.567 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.430 -1.051 8.974 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.896 -0.860 9.368 1.00 0.00 C ATOM 0 H VAL A 72 -5.817 -2.451 7.010 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.788 -0.322 6.796 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.854 -2.623 8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.288 -1.203 10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.664 -1.599 8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.350 0.012 8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.720 -1.015 10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.883 0.208 9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.867 -1.274 9.097 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.404 -1.751 5.306 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.492 -2.545 4.491 1.00 0.00 C ATOM 1011 C PHE A 73 -0.040 -2.253 4.859 1.00 0.00 C ATOM 1012 O PHE A 73 0.430 -1.122 4.729 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.721 -2.260 3.006 1.00 0.00 C ATOM 1014 CG PHE A 73 -3.139 -2.484 2.564 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.562 -3.740 2.159 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -4.049 -1.439 2.553 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.866 -3.950 1.753 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.355 -1.644 2.148 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.763 -2.900 1.746 1.00 0.00 C ATOM 0 H PHE A 73 -2.439 -0.762 5.058 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.693 -3.598 4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.442 -1.228 2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.060 -2.895 2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.864 -4.564 2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.735 -0.454 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.183 -4.934 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.055 -0.822 2.146 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.782 -3.061 1.427 1.00 0.00 H new ATOM 1029 N THR A 74 0.667 -3.281 5.318 1.00 0.00 N ATOM 1030 CA THR A 74 2.064 -3.135 5.706 1.00 0.00 C ATOM 1031 C THR A 74 2.993 -3.428 4.534 1.00 0.00 C ATOM 1032 O THR A 74 2.706 -4.288 3.700 1.00 0.00 O ATOM 1033 CB THR A 74 2.422 -4.070 6.877 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.839 -3.581 8.090 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.930 -4.179 7.041 1.00 0.00 C ATOM 0 H THR A 74 0.295 -4.224 5.430 1.00 0.00 H new ATOM 0 HA THR A 74 2.198 -2.101 6.023 1.00 0.00 H new ATOM 0 HB THR A 74 2.024 -5.061 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.890 -3.824 8.118 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.158 -4.844 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.367 -4.579 6.126 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.347 -3.192 7.241 1.00 0.00 H new ATOM 1043 N LEU A 75 4.109 -2.710 4.476 1.00 0.00 N ATOM 1044 CA LEU A 75 5.083 -2.894 3.406 1.00 0.00 C ATOM 1045 C LEU A 75 6.447 -3.278 3.970 1.00 0.00 C ATOM 1046 O LEU A 75 7.101 -2.480 4.642 1.00 0.00 O ATOM 1047 CB LEU A 75 5.204 -1.615 2.575 1.00 0.00 C ATOM 1048 CG LEU A 75 6.406 -1.538 1.633 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.297 -2.590 0.540 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.520 -0.147 1.027 1.00 0.00 C ATOM 0 H LEU A 75 4.362 -1.995 5.158 1.00 0.00 H new ATOM 0 HA LEU A 75 4.734 -3.705 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.296 -1.503 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.247 -0.765 3.257 1.00 0.00 H new ATOM 0 HG LEU A 75 7.309 -1.737 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.161 -2.519 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.265 -3.582 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.386 -2.424 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.381 -0.110 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.614 0.080 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.646 0.587 1.823 1.00 0.00 H new ATOM 1062 N THR A 76 6.872 -4.507 3.691 1.00 0.00 N ATOM 1063 CA THR A 76 8.158 -4.997 4.169 1.00 0.00 C ATOM 1064 C THR A 76 9.174 -5.075 3.034 1.00 0.00 C ATOM 1065 O THR A 76 8.981 -5.807 2.064 1.00 0.00 O ATOM 1066 CB THR A 76 8.023 -6.388 4.817 1.00 0.00 C ATOM 1067 OG1 THR A 76 7.007 -6.362 5.826 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.343 -6.829 5.432 1.00 0.00 C ATOM 0 H THR A 76 6.344 -5.181 3.136 1.00 0.00 H new ATOM 0 HA THR A 76 8.508 -4.287 4.918 1.00 0.00 H new ATOM 0 HB THR A 76 7.746 -7.101 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.926 -7.250 6.232 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.223 -7.814 5.883 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.108 -6.876 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.645 -6.114 6.197 1.00 0.00 H new ATOM 1076 N VAL A 77 10.256 -4.315 3.163 1.00 0.00 N ATOM 1077 CA VAL A 77 11.304 -4.299 2.149 1.00 0.00 C ATOM 1078 C VAL A 77 12.685 -4.421 2.783 1.00 0.00 C ATOM 1079 O VAL A 77 12.913 -3.949 3.897 1.00 0.00 O ATOM 1080 CB VAL A 77 11.250 -3.010 1.306 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.003 -2.994 0.434 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.298 -1.784 2.205 1.00 0.00 C ATOM 0 H VAL A 77 10.430 -3.702 3.959 1.00 0.00 H new ATOM 0 HA VAL A 77 11.129 -5.157 1.500 1.00 0.00 H new ATOM 0 HB VAL A 77 12.122 -2.987 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.982 -2.076 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.016 -3.854 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.116 -3.040 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.259 -0.883 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.446 -1.798 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.223 -1.792 2.781 1.00 0.00 H new ATOM 1092 N LYS A 78 13.605 -5.056 2.066 1.00 0.00 N ATOM 1093 CA LYS A 78 14.966 -5.240 2.556 1.00 0.00 C ATOM 1094 C LYS A 78 15.974 -4.573 1.626 1.00 0.00 C ATOM 1095 O LYS A 78 16.148 -4.991 0.481 1.00 0.00 O ATOM 1096 CB LYS A 78 15.286 -6.730 2.688 1.00 0.00 C ATOM 1097 CG LYS A 78 14.964 -7.303 4.057 1.00 0.00 C ATOM 1098 CD LYS A 78 15.092 -8.817 4.072 1.00 0.00 C ATOM 1099 CE LYS A 78 13.913 -9.483 3.380 1.00 0.00 C ATOM 1100 NZ LYS A 78 13.667 -10.856 3.902 1.00 0.00 N ATOM 0 H LYS A 78 13.433 -5.453 1.142 1.00 0.00 H new ATOM 0 HA LYS A 78 15.038 -4.771 3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.727 -7.281 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.344 -6.886 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.636 -6.873 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.951 -7.020 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.018 -9.110 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.156 -9.168 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.019 -8.875 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.101 -9.530 2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.856 -11.276 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.511 -11.443 3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.462 -10.809 4.921 1.00 0.00 H new ATOM 1114 N ASP A 79 16.636 -3.535 2.125 1.00 0.00 N ATOM 1115 CA ASP A 79 17.629 -2.812 1.339 1.00 0.00 C ATOM 1116 C ASP A 79 18.935 -3.595 1.260 1.00 0.00 C ATOM 1117 O ASP A 79 19.054 -4.680 1.829 1.00 0.00 O ATOM 1118 CB ASP A 79 17.884 -1.431 1.947 1.00 0.00 C ATOM 1119 CG ASP A 79 18.000 -1.476 3.458 1.00 0.00 C ATOM 1120 OD1 ASP A 79 18.560 -2.462 3.980 1.00 0.00 O ATOM 1121 OD2 ASP A 79 17.531 -0.525 4.117 1.00 0.00 O ATOM 0 H ASP A 79 16.503 -3.175 3.070 1.00 0.00 H new ATOM 0 HA ASP A 79 17.238 -2.690 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.800 -1.016 1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.073 -0.759 1.668 1.00 0.00 H new ATOM 1126 N GLU A 80 19.911 -3.039 0.549 1.00 0.00 N ATOM 1127 CA GLU A 80 21.208 -3.688 0.395 1.00 0.00 C ATOM 1128 C GLU A 80 21.801 -4.051 1.753 1.00 0.00 C ATOM 1129 O GLU A 80 22.672 -4.914 1.851 1.00 0.00 O ATOM 1130 CB GLU A 80 22.172 -2.776 -0.367 1.00 0.00 C ATOM 1131 CG GLU A 80 23.496 -3.439 -0.709 1.00 0.00 C ATOM 1132 CD GLU A 80 23.423 -4.269 -1.976 1.00 0.00 C ATOM 1133 OE1 GLU A 80 22.324 -4.767 -2.297 1.00 0.00 O ATOM 1134 OE2 GLU A 80 24.466 -4.420 -2.646 1.00 0.00 O ATOM 0 H GLU A 80 19.828 -2.142 0.071 1.00 0.00 H new ATOM 0 HA GLU A 80 21.060 -4.606 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.693 -2.444 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.365 -1.885 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 80 24.262 -2.673 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 80 23.804 -4.075 0.120 1.00 0.00 H new ATOM 1141 N ARG A 81 21.321 -3.384 2.798 1.00 0.00 N ATOM 1142 CA ARG A 81 21.804 -3.634 4.151 1.00 0.00 C ATOM 1143 C ARG A 81 21.162 -4.889 4.734 1.00 0.00 C ATOM 1144 O ARG A 81 21.350 -5.207 5.907 1.00 0.00 O ATOM 1145 CB ARG A 81 21.510 -2.433 5.051 1.00 0.00 C ATOM 1146 CG ARG A 81 22.625 -1.400 5.073 1.00 0.00 C ATOM 1147 CD ARG A 81 23.634 -1.694 6.172 1.00 0.00 C ATOM 1148 NE ARG A 81 24.536 -2.784 5.810 1.00 0.00 N ATOM 1149 CZ ARG A 81 25.532 -2.655 4.940 1.00 0.00 C ATOM 1150 NH1 ARG A 81 25.753 -1.490 4.348 1.00 0.00 N ATOM 1151 NH2 ARG A 81 26.310 -3.693 4.662 1.00 0.00 N ATOM 0 H ARG A 81 20.599 -2.667 2.734 1.00 0.00 H new ATOM 0 HA ARG A 81 22.882 -3.787 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 81 20.590 -1.955 4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.333 -2.786 6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 81 23.130 -1.388 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 81 22.200 -0.407 5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 81 24.216 -0.796 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 81 23.105 -1.951 7.090 1.00 0.00 H new ATOM 0 HE ARG A 81 24.394 -3.694 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 81 25.158 -0.689 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 81 26.518 -1.394 3.681 1.00 0.00 H new ATOM 0 HH21 ARG A 81 26.144 -4.591 5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 81 27.074 -3.593 3.994 1.00 0.00 H new ATOM 1165 N ASN A 82 20.403 -5.599 3.905 1.00 0.00 N ATOM 1166 CA ASN A 82 19.732 -6.819 4.339 1.00 0.00 C ATOM 1167 C ASN A 82 18.910 -6.569 5.600 1.00 0.00 C ATOM 1168 O ASN A 82 18.653 -7.488 6.379 1.00 0.00 O ATOM 1169 CB ASN A 82 20.757 -7.926 4.596 1.00 0.00 C ATOM 1170 CG ASN A 82 21.169 -8.638 3.322 1.00 0.00 C ATOM 1171 OD1 ASN A 82 20.331 -9.182 2.602 1.00 0.00 O ATOM 1172 ND2 ASN A 82 22.466 -8.639 3.038 1.00 0.00 N ATOM 0 H ASN A 82 20.237 -5.351 2.930 1.00 0.00 H new ATOM 0 HA ASN A 82 19.057 -7.135 3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 82 21.639 -7.497 5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 82 20.338 -8.650 5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 82 22.803 -9.103 2.195 1.00 0.00 H new ATOM 0 HD22 ASN A 82 23.125 -8.176 3.663 1.00 0.00 H new ATOM 1179 N LEU A 83 18.500 -5.321 5.794 1.00 0.00 N ATOM 1180 CA LEU A 83 17.706 -4.949 6.960 1.00 0.00 C ATOM 1181 C LEU A 83 16.216 -4.966 6.633 1.00 0.00 C ATOM 1182 O LEU A 83 15.778 -4.349 5.662 1.00 0.00 O ATOM 1183 CB LEU A 83 18.114 -3.561 7.458 1.00 0.00 C ATOM 1184 CG LEU A 83 17.314 -2.385 6.899 1.00 0.00 C ATOM 1185 CD1 LEU A 83 15.915 -2.358 7.496 1.00 0.00 C ATOM 1186 CD2 LEU A 83 18.036 -1.073 7.168 1.00 0.00 C ATOM 0 H LEU A 83 18.704 -4.549 5.159 1.00 0.00 H new ATOM 0 HA LEU A 83 17.895 -5.681 7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.030 -3.548 8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 83 19.166 -3.406 7.218 1.00 0.00 H new ATOM 0 HG LEU A 83 17.224 -2.513 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.361 -1.514 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.397 -3.285 7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.983 -2.255 8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.452 -0.247 6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.158 -0.939 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.016 -1.093 6.691 1.00 0.00 H new ATOM 1198 N GLN A 84 15.444 -5.674 7.450 1.00 0.00 N ATOM 1199 CA GLN A 84 14.003 -5.770 7.248 1.00 0.00 C ATOM 1200 C GLN A 84 13.281 -4.602 7.912 1.00 0.00 C ATOM 1201 O GLN A 84 13.429 -4.369 9.111 1.00 0.00 O ATOM 1202 CB GLN A 84 13.475 -7.093 7.804 1.00 0.00 C ATOM 1203 CG GLN A 84 11.975 -7.269 7.634 1.00 0.00 C ATOM 1204 CD GLN A 84 11.187 -6.735 8.814 1.00 0.00 C ATOM 1205 OE1 GLN A 84 11.132 -5.526 9.042 1.00 0.00 O ATOM 1206 NE2 GLN A 84 10.573 -7.635 9.573 1.00 0.00 N ATOM 0 H GLN A 84 15.792 -6.190 8.258 1.00 0.00 H new ATOM 0 HA GLN A 84 13.809 -5.732 6.176 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.988 -7.917 7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.722 -7.157 8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.654 -6.758 6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.750 -8.327 7.501 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.645 -8.627 9.347 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.029 -7.334 10.382 1.00 0.00 H new ATOM 1215 N SER A 85 12.501 -3.869 7.123 1.00 0.00 N ATOM 1216 CA SER A 85 11.759 -2.723 7.634 1.00 0.00 C ATOM 1217 C SER A 85 10.258 -2.917 7.442 1.00 0.00 C ATOM 1218 O SER A 85 9.826 -3.664 6.565 1.00 0.00 O ATOM 1219 CB SER A 85 12.213 -1.441 6.932 1.00 0.00 C ATOM 1220 OG SER A 85 12.073 -0.317 7.782 1.00 0.00 O ATOM 0 H SER A 85 12.367 -4.049 6.128 1.00 0.00 H new ATOM 0 HA SER A 85 11.962 -2.637 8.701 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.254 -1.540 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.626 -1.291 6.026 1.00 0.00 H new ATOM 0 HG SER A 85 12.515 0.457 7.376 1.00 0.00 H new ATOM 1226 N GLN A 86 9.470 -2.239 8.270 1.00 0.00 N ATOM 1227 CA GLN A 86 8.017 -2.337 8.192 1.00 0.00 C ATOM 1228 C GLN A 86 7.378 -0.953 8.158 1.00 0.00 C ATOM 1229 O GLN A 86 7.771 -0.059 8.907 1.00 0.00 O ATOM 1230 CB GLN A 86 7.474 -3.133 9.380 1.00 0.00 C ATOM 1231 CG GLN A 86 6.178 -3.868 9.079 1.00 0.00 C ATOM 1232 CD GLN A 86 5.534 -4.449 10.323 1.00 0.00 C ATOM 1233 OE1 GLN A 86 4.800 -3.762 11.034 1.00 0.00 O ATOM 1234 NE2 GLN A 86 5.806 -5.720 10.592 1.00 0.00 N ATOM 0 H GLN A 86 9.813 -1.617 9.002 1.00 0.00 H new ATOM 0 HA GLN A 86 7.763 -2.857 7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.226 -3.855 9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.311 -2.454 10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.479 -3.183 8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.376 -4.671 8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.420 -6.252 9.975 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.401 -6.165 11.416 1.00 0.00 H new ATOM 1243 N SER A 87 6.393 -0.782 7.282 1.00 0.00 N ATOM 1244 CA SER A 87 5.702 0.495 7.148 1.00 0.00 C ATOM 1245 C SER A 87 4.235 0.284 6.788 1.00 0.00 C ATOM 1246 O SER A 87 3.911 -0.149 5.682 1.00 0.00 O ATOM 1247 CB SER A 87 6.382 1.356 6.081 1.00 0.00 C ATOM 1248 OG SER A 87 5.901 2.688 6.118 1.00 0.00 O ATOM 0 H SER A 87 6.056 -1.512 6.654 1.00 0.00 H new ATOM 0 HA SER A 87 5.752 1.010 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.461 1.351 6.238 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.202 0.928 5.095 1.00 0.00 H new ATOM 0 HG SER A 87 6.643 3.308 5.960 1.00 0.00 H new ATOM 1254 N SER A 88 3.351 0.594 7.731 1.00 0.00 N ATOM 1255 CA SER A 88 1.917 0.436 7.517 1.00 0.00 C ATOM 1256 C SER A 88 1.272 1.768 7.148 1.00 0.00 C ATOM 1257 O SER A 88 1.695 2.826 7.615 1.00 0.00 O ATOM 1258 CB SER A 88 1.253 -0.135 8.771 1.00 0.00 C ATOM 1259 OG SER A 88 1.939 -1.286 9.233 1.00 0.00 O ATOM 0 H SER A 88 3.603 0.956 8.651 1.00 0.00 H new ATOM 0 HA SER A 88 1.773 -0.259 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.238 0.622 9.555 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.216 -0.389 8.553 1.00 0.00 H new ATOM 0 HG SER A 88 1.616 -2.075 8.750 1.00 0.00 H new ATOM 1265 N VAL A 89 0.246 1.708 6.305 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.459 2.909 5.873 1.00 0.00 C ATOM 1267 C VAL A 89 -1.945 2.821 6.200 1.00 0.00 C ATOM 1268 O VAL A 89 -2.516 1.733 6.258 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.291 3.144 4.360 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.667 1.893 3.580 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.127 4.333 3.910 1.00 0.00 C ATOM 0 H VAL A 89 -0.115 0.841 5.908 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.020 3.747 6.415 1.00 0.00 H new ATOM 0 HB VAL A 89 0.757 3.368 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.542 2.078 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.023 1.068 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.706 1.636 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.996 4.485 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.178 4.140 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.806 5.227 4.445 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.568 3.976 6.414 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.989 4.031 6.737 1.00 0.00 C ATOM 1283 C ASN A 90 -4.815 4.367 5.499 1.00 0.00 C ATOM 1284 O ASN A 90 -4.769 5.489 4.995 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.245 5.067 7.832 1.00 0.00 C ATOM 1286 CG ASN A 90 -4.020 4.507 9.223 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -4.522 3.435 9.562 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.260 5.231 10.037 1.00 0.00 N ATOM 0 H ASN A 90 -2.110 4.887 6.369 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.292 3.049 7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.589 5.924 7.678 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.269 5.431 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.072 4.904 10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.864 6.114 9.714 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.572 3.387 5.014 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.410 3.579 3.837 1.00 0.00 C ATOM 1297 C VAL A 91 -7.881 3.686 4.221 1.00 0.00 C ATOM 1298 O VAL A 91 -8.535 2.681 4.500 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.236 2.427 2.830 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.066 2.679 1.581 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.767 2.245 2.478 1.00 0.00 C ATOM 0 H VAL A 91 -5.622 2.452 5.419 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.091 4.511 3.370 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.592 1.506 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.930 1.854 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.119 2.754 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.745 3.609 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.662 1.427 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.383 3.164 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.202 2.014 3.381 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.396 4.911 4.234 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.791 5.149 4.583 1.00 0.00 C ATOM 1313 C ILE A 92 -10.657 5.272 3.334 1.00 0.00 C ATOM 1314 O ILE A 92 -10.302 5.973 2.386 1.00 0.00 O ATOM 1315 CB ILE A 92 -9.949 6.425 5.431 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.227 6.266 6.771 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.422 6.736 5.651 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.712 7.571 7.338 1.00 0.00 C ATOM 0 H ILE A 92 -7.868 5.754 4.007 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.121 4.290 5.168 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.498 7.259 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.908 5.810 7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.390 5.579 6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.517 7.640 6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -11.910 6.887 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.896 5.903 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.212 7.383 8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.006 8.018 6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.547 8.253 7.497 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.795 4.587 3.340 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.714 4.621 2.208 1.00 0.00 C ATOM 1332 C VAL A 93 -13.977 5.405 2.549 1.00 0.00 C ATOM 1333 O VAL A 93 -14.775 4.985 3.387 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.110 3.200 1.764 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.138 3.258 0.644 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.881 2.416 1.330 1.00 0.00 C ATOM 0 H VAL A 93 -12.103 4.001 4.116 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.191 5.117 1.390 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.561 2.685 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.406 2.245 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.028 3.780 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.717 3.790 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.179 1.415 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.400 2.926 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.182 2.345 2.163 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.152 6.547 1.893 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.318 7.391 2.124 1.00 0.00 C ATOM 1348 C LYS A 94 -16.462 7.005 1.192 1.00 0.00 C ATOM 1349 O LYS A 94 -16.312 6.129 0.341 1.00 0.00 O ATOM 1350 CB LYS A 94 -14.956 8.864 1.921 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.206 9.473 3.093 1.00 0.00 C ATOM 1352 CD LYS A 94 -15.091 9.584 4.323 1.00 0.00 C ATOM 1353 CE LYS A 94 -14.358 10.250 5.478 1.00 0.00 C ATOM 1354 NZ LYS A 94 -15.227 10.389 6.680 1.00 0.00 N ATOM 0 H LYS A 94 -13.501 6.909 1.197 1.00 0.00 H new ATOM 0 HA LYS A 94 -15.645 7.242 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.347 8.959 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -15.869 9.434 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.334 8.862 3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.839 10.462 2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.985 10.158 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.422 8.591 4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.475 9.664 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.008 11.234 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.691 10.847 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.057 10.969 6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.540 9.448 6.993 1.00 0.00 H new ATOM 1368 N GLU A 95 -17.604 7.666 1.358 1.00 0.00 N ATOM 1369 CA GLU A 95 -18.772 7.391 0.530 1.00 0.00 C ATOM 1370 C GLU A 95 -18.995 8.509 -0.485 1.00 0.00 C ATOM 1371 O GLU A 95 -18.442 9.600 -0.353 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.017 7.227 1.405 1.00 0.00 C ATOM 1373 CG GLU A 95 -19.984 5.988 2.284 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.361 5.579 2.767 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.020 6.396 3.444 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -21.781 4.441 2.469 1.00 0.00 O ATOM 0 H GLU A 95 -17.745 8.395 2.058 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.591 6.462 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.125 8.108 2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.898 7.185 0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -19.539 5.164 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.342 6.175 3.145 1.00 0.00 H new ATOM 1383 N GLU A 96 -19.807 8.226 -1.499 1.00 0.00 N ATOM 1384 CA GLU A 96 -20.101 9.206 -2.538 1.00 0.00 C ATOM 1385 C GLU A 96 -20.633 10.501 -1.929 1.00 0.00 C ATOM 1386 O GLU A 96 -21.383 10.478 -0.953 1.00 0.00 O ATOM 1387 CB GLU A 96 -21.119 8.641 -3.530 1.00 0.00 C ATOM 1388 CG GLU A 96 -21.503 9.616 -4.630 1.00 0.00 C ATOM 1389 CD GLU A 96 -22.643 10.531 -4.227 1.00 0.00 C ATOM 1390 OE1 GLU A 96 -23.542 10.072 -3.492 1.00 0.00 O ATOM 1391 OE2 GLU A 96 -22.635 11.707 -4.647 1.00 0.00 O ATOM 0 H GLU A 96 -20.272 7.327 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 96 -19.174 9.427 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -20.710 7.738 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.017 8.346 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.635 10.219 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.788 9.058 -5.522 1.00 0.00 H new ATOM 1398 N SER A 97 -20.238 11.628 -2.513 1.00 0.00 N ATOM 1399 CA SER A 97 -20.671 12.933 -2.026 1.00 0.00 C ATOM 1400 C SER A 97 -21.353 13.727 -3.136 1.00 0.00 C ATOM 1401 O SER A 97 -20.718 14.124 -4.112 1.00 0.00 O ATOM 1402 CB SER A 97 -19.477 13.719 -1.481 1.00 0.00 C ATOM 1403 OG SER A 97 -19.184 13.341 -0.147 1.00 0.00 O ATOM 0 H SER A 97 -19.619 11.664 -3.323 1.00 0.00 H new ATOM 0 HA SER A 97 -21.390 12.774 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 97 -18.605 13.545 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 97 -19.692 14.787 -1.521 1.00 0.00 H new ATOM 0 HG SER A 97 -18.416 13.856 0.178 1.00 0.00 H new ATOM 1409 N GLY A 98 -22.654 13.956 -2.977 1.00 0.00 N ATOM 1410 CA GLY A 98 -23.402 14.701 -3.972 1.00 0.00 C ATOM 1411 C GLY A 98 -24.776 15.111 -3.478 1.00 0.00 C ATOM 1412 O GLY A 98 -25.403 14.416 -2.678 1.00 0.00 O ATOM 0 H GLY A 98 -23.202 13.639 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -22.840 15.591 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.509 14.094 -4.871 1.00 0.00 H new ATOM 1416 N PRO A 99 -25.262 16.265 -3.957 1.00 0.00 N ATOM 1417 CA PRO A 99 -26.574 16.793 -3.572 1.00 0.00 C ATOM 1418 C PRO A 99 -27.721 15.962 -4.136 1.00 0.00 C ATOM 1419 O PRO A 99 -28.888 16.210 -3.832 1.00 0.00 O ATOM 1420 CB PRO A 99 -26.583 18.198 -4.177 1.00 0.00 C ATOM 1421 CG PRO A 99 -25.633 18.124 -5.322 1.00 0.00 C ATOM 1422 CD PRO A 99 -24.568 17.144 -4.913 1.00 0.00 C ATOM 0 HA PRO A 99 -26.718 16.779 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -27.582 18.479 -4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -26.267 18.945 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -26.140 17.794 -6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -25.202 19.102 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -24.186 16.586 -5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -23.716 17.645 -4.453 1.00 0.00 H new ATOM 1430 N SER A 100 -27.382 14.975 -4.959 1.00 0.00 N ATOM 1431 CA SER A 100 -28.385 14.109 -5.569 1.00 0.00 C ATOM 1432 C SER A 100 -29.532 13.841 -4.600 1.00 0.00 C ATOM 1433 O SER A 100 -30.675 14.221 -4.853 1.00 0.00 O ATOM 1434 CB SER A 100 -27.751 12.787 -6.005 1.00 0.00 C ATOM 1435 OG SER A 100 -28.677 11.989 -6.722 1.00 0.00 O ATOM 0 H SER A 100 -26.421 14.755 -5.219 1.00 0.00 H new ATOM 0 HA SER A 100 -28.784 14.618 -6.446 1.00 0.00 H new ATOM 0 HB2 SER A 100 -26.879 12.986 -6.628 1.00 0.00 H new ATOM 0 HB3 SER A 100 -27.399 12.243 -5.129 1.00 0.00 H new ATOM 0 HG SER A 100 -28.247 11.150 -6.991 1.00 0.00 H new ATOM 1441 N SER A 101 -29.218 13.183 -3.488 1.00 0.00 N ATOM 1442 CA SER A 101 -30.223 12.860 -2.482 1.00 0.00 C ATOM 1443 C SER A 101 -29.571 12.270 -1.234 1.00 0.00 C ATOM 1444 O SER A 101 -28.963 11.202 -1.284 1.00 0.00 O ATOM 1445 CB SER A 101 -31.246 11.875 -3.050 1.00 0.00 C ATOM 1446 OG SER A 101 -32.436 11.876 -2.281 1.00 0.00 O ATOM 0 H SER A 101 -28.276 12.863 -3.261 1.00 0.00 H new ATOM 0 HA SER A 101 -30.733 13.782 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 101 -31.476 12.139 -4.082 1.00 0.00 H new ATOM 0 HB3 SER A 101 -30.820 10.872 -3.065 1.00 0.00 H new ATOM 0 HG SER A 101 -33.074 11.240 -2.665 1.00 0.00 H new ATOM 1452 N GLY A 102 -29.704 12.976 -0.115 1.00 0.00 N ATOM 1453 CA GLY A 102 -29.124 12.508 1.130 1.00 0.00 C ATOM 1454 C GLY A 102 -28.044 13.436 1.652 1.00 0.00 C ATOM 1455 O GLY A 102 -28.243 14.132 2.647 1.00 0.00 O ATOM 0 H GLY A 102 -30.203 13.863 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -29.909 12.412 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -28.703 11.514 0.980 1.00 0.00 H new TER 1459 GLY A 102