USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 598 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 13 SER OG : rot -42:sc= 0.128 USER MOD Set 1.2: A 75 THR OG1 : rot -68:sc= 0.605 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0.474 USER MOD Set 2.2: A 67 SER OG : rot 65:sc= -1.94! USER MOD Set 3.1: A 63 GLN : amide:sc= -3.34 K(o=-3.5,f=-6.8!) USER MOD Set 3.2: A 65 TYR OH : rot 169:sc= -0.124 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0662) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00921) USER MOD Single : A 38 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00782 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= -0.808 (180deg=-0.907) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 135:sc= 0.0071 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.866 -0.128 -9.247 1.00 0.00 N ATOM 76 CA SER A 13 72.619 -0.569 -8.547 1.00 0.00 C ATOM 77 C SER A 13 72.438 0.215 -7.244 1.00 0.00 C ATOM 78 O SER A 13 73.398 0.701 -6.671 1.00 0.00 O ATOM 79 CB SER A 13 72.837 -2.053 -8.253 1.00 0.00 C ATOM 80 OG SER A 13 74.015 -2.211 -7.475 1.00 0.00 O ATOM 0 HA SER A 13 71.725 -0.398 -9.147 1.00 0.00 H new ATOM 0 HB2 SER A 13 71.978 -2.459 -7.719 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.926 -2.611 -9.185 1.00 0.00 H new ATOM 0 HG SER A 13 74.716 -1.618 -7.818 1.00 0.00 H new ATOM 86 N GLU A 14 71.213 0.333 -6.780 1.00 0.00 N ATOM 87 CA GLU A 14 70.936 1.123 -5.541 1.00 0.00 C ATOM 88 C GLU A 14 69.689 0.592 -4.827 1.00 0.00 C ATOM 89 O GLU A 14 68.775 0.088 -5.455 1.00 0.00 O ATOM 90 CB GLU A 14 70.704 2.554 -6.028 1.00 0.00 C ATOM 91 CG GLU A 14 70.667 3.505 -4.830 1.00 0.00 C ATOM 92 CD GLU A 14 70.322 4.917 -5.307 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.897 5.346 -6.294 1.00 0.00 O ATOM 94 OE2 GLU A 14 69.490 5.547 -4.675 1.00 0.00 O ATOM 0 H GLU A 14 70.390 -0.088 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 14 71.756 1.059 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 14 71.498 2.848 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.767 2.613 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 14 69.928 3.164 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 14 71.632 3.507 -4.324 1.00 0.00 H new ATOM 101 N LEU A 15 69.659 0.706 -3.518 1.00 0.00 N ATOM 102 CA LEU A 15 68.430 0.359 -2.739 1.00 0.00 C ATOM 103 C LEU A 15 67.918 1.591 -1.985 1.00 0.00 C ATOM 104 O LEU A 15 68.671 2.261 -1.299 1.00 0.00 O ATOM 105 CB LEU A 15 68.878 -0.724 -1.756 1.00 0.00 C ATOM 106 CG LEU A 15 67.655 -1.326 -1.060 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.885 -2.205 -2.048 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.113 -2.175 0.128 1.00 0.00 C ATOM 0 H LEU A 15 70.444 1.029 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 15 67.617 0.017 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.428 -1.503 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.557 -0.299 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 15 67.007 -0.524 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 15 66.014 -2.633 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.559 -1.601 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.532 -3.007 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.243 -2.605 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.761 -2.977 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.661 -1.549 0.832 1.00 0.00 H new ATOM 120 N LYS A 16 66.645 1.886 -2.117 1.00 0.00 N ATOM 121 CA LYS A 16 66.032 3.017 -1.357 1.00 0.00 C ATOM 122 C LYS A 16 65.274 2.480 -0.141 1.00 0.00 C ATOM 123 O LYS A 16 64.307 1.753 -0.288 1.00 0.00 O ATOM 124 CB LYS A 16 65.062 3.674 -2.342 1.00 0.00 C ATOM 125 CG LYS A 16 65.818 4.680 -3.213 1.00 0.00 C ATOM 126 CD LYS A 16 66.000 5.982 -2.434 1.00 0.00 C ATOM 127 CE LYS A 16 66.556 7.062 -3.366 1.00 0.00 C ATOM 128 NZ LYS A 16 66.295 8.348 -2.659 1.00 0.00 N ATOM 0 H LYS A 16 66.000 1.384 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 16 66.777 3.721 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.594 2.915 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.262 4.177 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 16 66.789 4.275 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 16 65.267 4.868 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 16 65.046 6.304 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 16 66.679 5.825 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 16 67.622 6.919 -3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.063 7.038 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.648 9.139 -3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.272 8.460 -2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 66.782 8.344 -1.740 1.00 0.00 H new ATOM 142 N LEU A 17 65.708 2.838 1.047 1.00 0.00 N ATOM 143 CA LEU A 17 65.060 2.322 2.294 1.00 0.00 C ATOM 144 C LEU A 17 64.496 3.479 3.121 1.00 0.00 C ATOM 145 O LEU A 17 64.980 4.595 3.043 1.00 0.00 O ATOM 146 CB LEU A 17 66.181 1.619 3.063 1.00 0.00 C ATOM 147 CG LEU A 17 66.627 0.371 2.301 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.001 -0.073 2.808 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.614 -0.754 2.526 1.00 0.00 C ATOM 0 H LEU A 17 66.491 3.472 1.205 1.00 0.00 H new ATOM 0 HA LEU A 17 64.228 1.652 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 17 67.024 2.297 3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.834 1.344 4.059 1.00 0.00 H new ATOM 0 HG LEU A 17 66.688 0.599 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.319 -0.963 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.724 0.727 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 17 67.940 -0.300 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 17 65.932 -1.644 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.553 -0.981 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.635 -0.439 2.165 1.00 0.00 H new ATOM 161 N LYS A 18 63.474 3.216 3.904 1.00 0.00 N ATOM 162 CA LYS A 18 62.933 4.251 4.839 1.00 0.00 C ATOM 163 C LYS A 18 62.685 3.633 6.229 1.00 0.00 C ATOM 164 O LYS A 18 62.149 2.541 6.302 1.00 0.00 O ATOM 165 CB LYS A 18 61.611 4.695 4.210 1.00 0.00 C ATOM 166 CG LYS A 18 61.136 5.986 4.880 1.00 0.00 C ATOM 167 CD LYS A 18 60.003 6.603 4.057 1.00 0.00 C ATOM 168 CE LYS A 18 58.680 5.923 4.418 1.00 0.00 C ATOM 169 NZ LYS A 18 58.210 6.626 5.644 1.00 0.00 N ATOM 0 H LYS A 18 62.989 2.319 3.934 1.00 0.00 H new ATOM 0 HA LYS A 18 63.622 5.084 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.741 4.855 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.860 3.914 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.792 5.777 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.964 6.690 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.939 7.673 4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 18 60.206 6.485 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 18 57.956 6.013 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 18 58.821 4.858 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 57.669 5.965 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 59.030 6.979 6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 57.603 7.426 5.374 1.00 0.00 H new ATOM 183 N PRO A 19 63.074 4.329 7.294 1.00 0.00 N ATOM 184 CA PRO A 19 62.853 3.788 8.665 1.00 0.00 C ATOM 185 C PRO A 19 61.376 3.914 9.053 1.00 0.00 C ATOM 186 O PRO A 19 60.735 4.904 8.747 1.00 0.00 O ATOM 187 CB PRO A 19 63.725 4.675 9.551 1.00 0.00 C ATOM 188 CG PRO A 19 63.843 5.966 8.810 1.00 0.00 C ATOM 189 CD PRO A 19 63.740 5.648 7.342 1.00 0.00 C ATOM 0 HA PRO A 19 63.105 2.731 8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.270 4.823 10.531 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.704 4.225 9.718 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.054 6.656 9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.793 6.452 9.033 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.161 6.404 6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.724 5.613 6.874 1.00 0.00 H new ATOM 197 N LEU A 20 60.842 2.915 9.722 1.00 0.00 N ATOM 198 CA LEU A 20 59.424 2.988 10.211 1.00 0.00 C ATOM 199 C LEU A 20 59.252 3.889 11.472 1.00 0.00 C ATOM 200 O LEU A 20 58.352 4.711 11.441 1.00 0.00 O ATOM 201 CB LEU A 20 58.961 1.538 10.440 1.00 0.00 C ATOM 202 CG LEU A 20 58.687 0.873 9.090 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.676 -0.648 9.263 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.328 1.336 8.560 1.00 0.00 C ATOM 0 H LEU A 20 61.330 2.049 9.951 1.00 0.00 H new ATOM 0 HA LEU A 20 58.795 3.475 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.725 0.982 10.983 1.00 0.00 H new ATOM 0 HB3 LEU A 20 58.060 1.525 11.054 1.00 0.00 H new ATOM 0 HG LEU A 20 59.468 1.152 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.481 -1.122 8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.644 -0.978 9.641 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.896 -0.928 9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.132 0.862 7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.547 1.057 9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.335 2.419 8.437 1.00 0.00 H new ATOM 216 N PRO A 21 60.057 3.762 12.548 1.00 0.00 N ATOM 217 CA PRO A 21 60.025 4.821 13.607 1.00 0.00 C ATOM 218 C PRO A 21 60.614 6.127 13.063 1.00 0.00 C ATOM 219 O PRO A 21 61.403 6.115 12.134 1.00 0.00 O ATOM 220 CB PRO A 21 60.893 4.260 14.735 1.00 0.00 C ATOM 221 CG PRO A 21 61.787 3.268 14.076 1.00 0.00 C ATOM 222 CD PRO A 21 61.014 2.693 12.924 1.00 0.00 C ATOM 0 HA PRO A 21 59.014 5.051 13.944 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.468 5.049 15.220 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.283 3.790 15.506 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.704 3.744 13.728 1.00 0.00 H new ATOM 0 HG3 PRO A 21 62.079 2.485 14.776 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.671 2.438 12.093 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.495 1.779 13.211 1.00 0.00 H new ATOM 230 N LYS A 22 60.233 7.246 13.641 1.00 0.00 N ATOM 231 CA LYS A 22 60.733 8.572 13.149 1.00 0.00 C ATOM 232 C LYS A 22 62.106 8.879 13.761 1.00 0.00 C ATOM 233 O LYS A 22 62.203 9.485 14.815 1.00 0.00 O ATOM 234 CB LYS A 22 59.691 9.601 13.601 1.00 0.00 C ATOM 235 CG LYS A 22 58.374 9.356 12.862 1.00 0.00 C ATOM 236 CD LYS A 22 57.366 10.444 13.239 1.00 0.00 C ATOM 237 CE LYS A 22 56.010 10.124 12.607 1.00 0.00 C ATOM 238 NZ LYS A 22 55.318 11.439 12.497 1.00 0.00 N ATOM 0 H LYS A 22 59.595 7.296 14.435 1.00 0.00 H new ATOM 0 HA LYS A 22 60.858 8.585 12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.535 9.527 14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.050 10.610 13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.543 9.360 11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 22 57.978 8.374 13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.269 10.505 14.323 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.719 11.416 12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.130 9.658 11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.441 9.429 13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 54.379 11.303 12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 55.212 11.856 13.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 55.880 12.078 11.899 1.00 0.00 H new ATOM 252 N VAL A 23 63.162 8.455 13.102 1.00 0.00 N ATOM 253 CA VAL A 23 64.545 8.727 13.604 1.00 0.00 C ATOM 254 C VAL A 23 65.514 8.905 12.422 1.00 0.00 C ATOM 255 O VAL A 23 65.392 8.234 11.412 1.00 0.00 O ATOM 256 CB VAL A 23 64.904 7.503 14.474 1.00 0.00 C ATOM 257 CG1 VAL A 23 64.915 6.212 13.640 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.283 7.704 15.112 1.00 0.00 C ATOM 0 H VAL A 23 63.121 7.927 12.230 1.00 0.00 H new ATOM 0 HA VAL A 23 64.612 9.648 14.183 1.00 0.00 H new ATOM 0 HB VAL A 23 64.145 7.409 15.250 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.171 5.368 14.280 1.00 0.00 H new ATOM 0 HG12 VAL A 23 63.929 6.052 13.205 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.653 6.300 12.843 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.530 6.837 15.725 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.032 7.821 14.329 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.268 8.597 15.737 1.00 0.00 H new ATOM 268 N GLU A 24 66.463 9.805 12.554 1.00 0.00 N ATOM 269 CA GLU A 24 67.489 10.003 11.484 1.00 0.00 C ATOM 270 C GLU A 24 68.825 9.389 11.916 1.00 0.00 C ATOM 271 O GLU A 24 69.370 9.751 12.945 1.00 0.00 O ATOM 272 CB GLU A 24 67.617 11.521 11.335 1.00 0.00 C ATOM 273 CG GLU A 24 68.471 11.844 10.106 1.00 0.00 C ATOM 274 CD GLU A 24 68.709 13.354 10.032 1.00 0.00 C ATOM 275 OE1 GLU A 24 69.025 13.937 11.056 1.00 0.00 O ATOM 276 OE2 GLU A 24 68.572 13.903 8.951 1.00 0.00 O ATOM 0 H GLU A 24 66.569 10.414 13.365 1.00 0.00 H new ATOM 0 HA GLU A 24 67.208 9.525 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 24 66.630 11.972 11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.072 11.948 12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 69.424 11.317 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 24 67.970 11.499 9.201 1.00 0.00 H new ATOM 283 N LEU A 25 69.345 8.467 11.136 1.00 0.00 N ATOM 284 CA LEU A 25 70.618 7.774 11.509 1.00 0.00 C ATOM 285 C LEU A 25 71.824 8.489 10.866 1.00 0.00 C ATOM 286 O LEU A 25 71.798 8.734 9.674 1.00 0.00 O ATOM 287 CB LEU A 25 70.481 6.355 10.948 1.00 0.00 C ATOM 288 CG LEU A 25 69.381 5.606 11.705 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.041 4.313 10.962 1.00 0.00 C ATOM 290 CD2 LEU A 25 69.867 5.271 13.118 1.00 0.00 C ATOM 0 H LEU A 25 68.937 8.165 10.251 1.00 0.00 H new ATOM 0 HA LEU A 25 70.783 7.774 12.586 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.242 6.395 9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.428 5.823 11.042 1.00 0.00 H new ATOM 0 HG LEU A 25 68.492 6.234 11.768 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.258 3.779 11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.693 4.552 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 25 69.930 3.685 10.898 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.083 4.738 13.656 1.00 0.00 H new ATOM 0 HD22 LEU A 25 70.756 4.644 13.058 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.108 6.193 13.648 1.00 0.00 H new ATOM 302 N PRO A 26 72.851 8.810 11.652 1.00 0.00 N ATOM 303 CA PRO A 26 74.080 9.450 11.083 1.00 0.00 C ATOM 304 C PRO A 26 74.736 8.563 10.000 1.00 0.00 C ATOM 305 O PRO A 26 74.399 7.400 9.888 1.00 0.00 O ATOM 306 CB PRO A 26 75.006 9.605 12.293 1.00 0.00 C ATOM 307 CG PRO A 26 74.097 9.574 13.472 1.00 0.00 C ATOM 308 CD PRO A 26 72.983 8.636 13.113 1.00 0.00 C ATOM 0 HA PRO A 26 73.861 10.397 10.589 1.00 0.00 H new ATOM 0 HB2 PRO A 26 75.739 8.799 12.337 1.00 0.00 H new ATOM 0 HB3 PRO A 26 75.564 10.540 12.248 1.00 0.00 H new ATOM 0 HG2 PRO A 26 74.624 9.230 14.362 1.00 0.00 H new ATOM 0 HG3 PRO A 26 73.712 10.569 13.694 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.224 7.606 13.375 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.060 8.890 13.634 1.00 0.00 H new ATOM 316 N PRO A 27 75.657 9.135 9.236 1.00 0.00 N ATOM 317 CA PRO A 27 76.196 8.445 8.022 1.00 0.00 C ATOM 318 C PRO A 27 76.996 7.174 8.360 1.00 0.00 C ATOM 319 O PRO A 27 77.352 6.432 7.462 1.00 0.00 O ATOM 320 CB PRO A 27 77.109 9.499 7.378 1.00 0.00 C ATOM 321 CG PRO A 27 76.697 10.793 7.995 1.00 0.00 C ATOM 322 CD PRO A 27 76.284 10.461 9.396 1.00 0.00 C ATOM 0 HA PRO A 27 75.392 8.102 7.370 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.160 9.285 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.985 9.520 6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.519 11.509 7.988 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.875 11.246 7.441 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.137 10.428 10.074 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.585 11.195 9.798 1.00 0.00 H new ATOM 330 N ASP A 28 77.292 6.917 9.618 1.00 0.00 N ATOM 331 CA ASP A 28 78.036 5.663 9.982 1.00 0.00 C ATOM 332 C ASP A 28 77.102 4.443 9.926 1.00 0.00 C ATOM 333 O ASP A 28 77.532 3.340 9.628 1.00 0.00 O ATOM 334 CB ASP A 28 78.602 5.888 11.399 1.00 0.00 C ATOM 335 CG ASP A 28 77.482 6.075 12.436 1.00 0.00 C ATOM 336 OD1 ASP A 28 76.453 6.630 12.089 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.680 5.658 13.565 1.00 0.00 O ATOM 0 H ASP A 28 77.051 7.520 10.405 1.00 0.00 H new ATOM 0 HA ASP A 28 78.844 5.458 9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.222 5.037 11.682 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.247 6.767 11.398 1.00 0.00 H new ATOM 342 N PHE A 29 75.827 4.635 10.204 1.00 0.00 N ATOM 343 CA PHE A 29 74.857 3.482 10.215 1.00 0.00 C ATOM 344 C PHE A 29 74.798 2.797 8.843 1.00 0.00 C ATOM 345 O PHE A 29 74.845 1.586 8.755 1.00 0.00 O ATOM 346 CB PHE A 29 73.490 4.078 10.575 1.00 0.00 C ATOM 347 CG PHE A 29 73.219 4.091 12.061 1.00 0.00 C ATOM 348 CD1 PHE A 29 73.714 5.160 12.869 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.470 3.031 12.658 1.00 0.00 C ATOM 350 CE1 PHE A 29 73.458 5.170 14.276 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.214 3.040 14.064 1.00 0.00 C ATOM 352 CZ PHE A 29 72.708 4.109 14.873 1.00 0.00 C ATOM 0 H PHE A 29 75.416 5.542 10.424 1.00 0.00 H new ATOM 0 HA PHE A 29 75.164 2.721 10.932 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.433 5.097 10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 29 72.708 3.506 10.075 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.281 5.960 12.417 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.097 2.223 12.047 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.831 5.978 14.887 1.00 0.00 H new ATOM 0 HE2 PHE A 29 71.647 2.239 14.515 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.515 4.116 15.936 1.00 0.00 H new ATOM 362 N VAL A 30 74.705 3.568 7.779 1.00 0.00 N ATOM 363 CA VAL A 30 74.449 2.975 6.417 1.00 0.00 C ATOM 364 C VAL A 30 75.561 1.975 6.039 1.00 0.00 C ATOM 365 O VAL A 30 75.312 0.991 5.365 1.00 0.00 O ATOM 366 CB VAL A 30 74.386 4.173 5.442 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.736 4.901 5.377 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.999 3.680 4.043 1.00 0.00 C ATOM 0 H VAL A 30 74.795 4.584 7.794 1.00 0.00 H new ATOM 0 HA VAL A 30 73.520 2.406 6.387 1.00 0.00 H new ATOM 0 HB VAL A 30 73.635 4.873 5.807 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.664 5.739 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 30 75.998 5.271 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.506 4.210 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.955 4.527 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.743 2.966 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 30 73.023 3.196 4.085 1.00 0.00 H new ATOM 378 N ASP A 31 76.774 2.229 6.482 1.00 0.00 N ATOM 379 CA ASP A 31 77.907 1.287 6.200 1.00 0.00 C ATOM 380 C ASP A 31 77.720 -0.009 6.993 1.00 0.00 C ATOM 381 O ASP A 31 77.935 -1.092 6.476 1.00 0.00 O ATOM 382 CB ASP A 31 79.182 2.009 6.652 1.00 0.00 C ATOM 383 CG ASP A 31 79.417 3.237 5.769 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.283 3.111 4.563 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.729 4.283 6.314 1.00 0.00 O ATOM 0 H ASP A 31 77.027 3.052 7.029 1.00 0.00 H new ATOM 0 HA ASP A 31 77.955 1.021 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.091 2.311 7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 31 80.036 1.334 6.589 1.00 0.00 H new ATOM 390 N VAL A 32 77.313 0.099 8.239 1.00 0.00 N ATOM 391 CA VAL A 32 77.156 -1.123 9.104 1.00 0.00 C ATOM 392 C VAL A 32 75.976 -1.964 8.591 1.00 0.00 C ATOM 393 O VAL A 32 76.049 -3.179 8.551 1.00 0.00 O ATOM 394 CB VAL A 32 76.899 -0.614 10.539 1.00 0.00 C ATOM 395 CG1 VAL A 32 76.765 -1.798 11.505 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.069 0.263 11.004 1.00 0.00 C ATOM 0 H VAL A 32 77.082 0.981 8.696 1.00 0.00 H new ATOM 0 HA VAL A 32 78.042 -1.758 9.082 1.00 0.00 H new ATOM 0 HB VAL A 32 75.977 -0.033 10.535 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.584 -1.426 12.513 1.00 0.00 H new ATOM 0 HG12 VAL A 32 75.931 -2.428 11.195 1.00 0.00 H new ATOM 0 HG13 VAL A 32 77.685 -2.383 11.494 1.00 0.00 H new ATOM 0 HG21 VAL A 32 77.878 0.617 12.017 1.00 0.00 H new ATOM 0 HG22 VAL A 32 78.989 -0.321 10.991 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.172 1.117 10.335 1.00 0.00 H new ATOM 406 N ILE A 33 74.900 -1.318 8.194 1.00 0.00 N ATOM 407 CA ILE A 33 73.715 -2.058 7.631 1.00 0.00 C ATOM 408 C ILE A 33 74.114 -2.777 6.328 1.00 0.00 C ATOM 409 O ILE A 33 73.752 -3.919 6.113 1.00 0.00 O ATOM 410 CB ILE A 33 72.630 -0.982 7.377 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.227 -0.297 8.703 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.383 -1.601 6.722 1.00 0.00 C ATOM 413 CD1 ILE A 33 71.664 -1.308 9.718 1.00 0.00 C ATOM 0 H ILE A 33 74.790 -0.305 8.235 1.00 0.00 H new ATOM 0 HA ILE A 33 73.346 -2.826 8.310 1.00 0.00 H new ATOM 0 HB ILE A 33 73.051 -0.239 6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.095 0.204 9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.481 0.472 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.637 -0.824 6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.659 -2.051 5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 33 70.969 -2.366 7.379 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.392 -0.788 10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.781 -1.791 9.299 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.420 -2.062 9.938 1.00 0.00 H new ATOM 425 N ARG A 34 74.858 -2.112 5.469 1.00 0.00 N ATOM 426 CA ARG A 34 75.305 -2.742 4.174 1.00 0.00 C ATOM 427 C ARG A 34 76.128 -4.014 4.432 1.00 0.00 C ATOM 428 O ARG A 34 75.957 -5.010 3.752 1.00 0.00 O ATOM 429 CB ARG A 34 76.171 -1.689 3.472 1.00 0.00 C ATOM 430 CG ARG A 34 76.437 -2.125 2.029 1.00 0.00 C ATOM 431 CD ARG A 34 77.410 -1.142 1.369 1.00 0.00 C ATOM 432 NE ARG A 34 78.746 -1.405 2.005 1.00 0.00 N ATOM 433 CZ ARG A 34 79.712 -0.501 2.019 1.00 0.00 C ATOM 434 NH1 ARG A 34 79.583 0.686 1.467 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.842 -0.802 2.600 1.00 0.00 N ATOM 0 H ARG A 34 75.178 -1.154 5.609 1.00 0.00 H new ATOM 0 HA ARG A 34 74.448 -3.037 3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.668 -0.722 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 34 77.114 -1.564 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.854 -3.132 2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.502 -2.158 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.452 -1.297 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.095 -0.111 1.531 1.00 0.00 H new ATOM 0 HE ARG A 34 78.914 -2.312 2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.711 0.941 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.355 1.351 1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.966 -1.718 3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.601 -0.121 2.623 1.00 0.00 H new ATOM 449 N ILE A 35 77.011 -3.980 5.406 1.00 0.00 N ATOM 450 CA ILE A 35 77.876 -5.176 5.709 1.00 0.00 C ATOM 451 C ILE A 35 77.005 -6.340 6.217 1.00 0.00 C ATOM 452 O ILE A 35 77.200 -7.478 5.826 1.00 0.00 O ATOM 453 CB ILE A 35 78.879 -4.711 6.789 1.00 0.00 C ATOM 454 CG1 ILE A 35 79.749 -3.578 6.232 1.00 0.00 C ATOM 455 CG2 ILE A 35 79.795 -5.867 7.210 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.436 -2.847 7.388 1.00 0.00 C ATOM 0 H ILE A 35 77.172 -3.173 6.008 1.00 0.00 H new ATOM 0 HA ILE A 35 78.400 -5.538 4.825 1.00 0.00 H new ATOM 0 HB ILE A 35 78.313 -4.365 7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.496 -3.981 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.136 -2.881 5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.494 -5.519 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.192 -6.680 7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.351 -6.225 6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 35 81.055 -2.041 6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.681 -2.431 8.055 1.00 0.00 H new ATOM 0 HD13 ILE A 35 81.062 -3.548 7.941 1.00 0.00 H new ATOM 468 N LYS A 36 76.060 -6.055 7.083 1.00 0.00 N ATOM 469 CA LYS A 36 75.163 -7.134 7.626 1.00 0.00 C ATOM 470 C LYS A 36 74.289 -7.733 6.517 1.00 0.00 C ATOM 471 O LYS A 36 74.123 -8.938 6.440 1.00 0.00 O ATOM 472 CB LYS A 36 74.282 -6.457 8.682 1.00 0.00 C ATOM 473 CG LYS A 36 75.151 -6.005 9.858 1.00 0.00 C ATOM 474 CD LYS A 36 74.262 -5.415 10.955 1.00 0.00 C ATOM 475 CE LYS A 36 75.138 -4.848 12.074 1.00 0.00 C ATOM 476 NZ LYS A 36 75.467 -6.020 12.933 1.00 0.00 N ATOM 0 H LYS A 36 75.869 -5.119 7.440 1.00 0.00 H new ATOM 0 HA LYS A 36 75.747 -7.952 8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 36 73.767 -5.601 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.514 -7.149 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 36 75.718 -6.849 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 36 75.875 -5.262 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 36 73.629 -4.630 10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 36 73.599 -6.183 11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 36 76.040 -4.386 11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 36 74.610 -4.080 12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 76.024 -5.704 13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 74.588 -6.466 13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 76.019 -6.709 12.384 1.00 0.00 H new ATOM 490 N LEU A 37 73.739 -6.901 5.662 1.00 0.00 N ATOM 491 CA LEU A 37 72.659 -7.362 4.728 1.00 0.00 C ATOM 492 C LEU A 37 73.236 -7.880 3.404 1.00 0.00 C ATOM 493 O LEU A 37 72.650 -8.743 2.775 1.00 0.00 O ATOM 494 CB LEU A 37 71.786 -6.128 4.479 1.00 0.00 C ATOM 495 CG LEU A 37 71.002 -5.789 5.747 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.370 -4.404 5.601 1.00 0.00 C ATOM 497 CD2 LEU A 37 69.900 -6.829 5.961 1.00 0.00 C ATOM 0 H LEU A 37 73.993 -5.917 5.571 1.00 0.00 H new ATOM 0 HA LEU A 37 72.097 -8.191 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.409 -5.282 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.099 -6.317 3.654 1.00 0.00 H new ATOM 0 HG LEU A 37 71.678 -5.794 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 37 69.811 -4.162 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.153 -3.661 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.695 -4.400 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.342 -6.587 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.225 -6.825 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.348 -7.817 6.065 1.00 0.00 H new ATOM 509 N GLN A 38 74.373 -7.362 2.977 1.00 0.00 N ATOM 510 CA GLN A 38 74.936 -7.708 1.615 1.00 0.00 C ATOM 511 C GLN A 38 75.011 -9.229 1.380 1.00 0.00 C ATOM 512 O GLN A 38 75.230 -9.995 2.302 1.00 0.00 O ATOM 513 CB GLN A 38 76.346 -7.088 1.556 1.00 0.00 C ATOM 514 CG GLN A 38 77.228 -7.611 2.699 1.00 0.00 C ATOM 515 CD GLN A 38 78.703 -7.463 2.317 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.328 -8.410 1.884 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.288 -6.306 2.459 1.00 0.00 N ATOM 0 H GLN A 38 74.941 -6.709 3.516 1.00 0.00 H new ATOM 0 HA GLN A 38 74.285 -7.316 0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.810 -7.323 0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.272 -6.002 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 38 77.021 -7.057 3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 38 76.997 -8.657 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.763 -5.510 2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.270 -6.197 2.206 1.00 0.00 H new ATOM 526 N GLY A 39 74.830 -9.651 0.149 1.00 0.00 N ATOM 527 CA GLY A 39 74.737 -11.111 -0.166 1.00 0.00 C ATOM 528 C GLY A 39 73.269 -11.553 -0.244 1.00 0.00 C ATOM 529 O GLY A 39 72.951 -12.507 -0.933 1.00 0.00 O ATOM 0 H GLY A 39 74.742 -9.036 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.235 -11.317 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.256 -11.688 0.599 1.00 0.00 H new ATOM 533 N LYS A 40 72.380 -10.876 0.453 1.00 0.00 N ATOM 534 CA LYS A 40 70.919 -11.198 0.353 1.00 0.00 C ATOM 535 C LYS A 40 70.275 -10.382 -0.770 1.00 0.00 C ATOM 536 O LYS A 40 70.762 -9.324 -1.130 1.00 0.00 O ATOM 537 CB LYS A 40 70.318 -10.809 1.708 1.00 0.00 C ATOM 538 CG LYS A 40 70.881 -11.719 2.804 1.00 0.00 C ATOM 539 CD LYS A 40 70.292 -13.123 2.660 1.00 0.00 C ATOM 540 CE LYS A 40 70.709 -13.977 3.860 1.00 0.00 C ATOM 541 NZ LYS A 40 69.953 -15.251 3.705 1.00 0.00 N ATOM 0 H LYS A 40 72.607 -10.111 1.089 1.00 0.00 H new ATOM 0 HA LYS A 40 70.749 -12.250 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.548 -9.768 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.232 -10.895 1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 40 71.968 -11.761 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 40 70.641 -11.312 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 40 69.205 -13.068 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 40 70.640 -13.582 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 40 71.785 -14.154 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 40 70.463 -13.484 4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 70.186 -15.891 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 68.932 -15.052 3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 70.213 -15.701 2.804 1.00 0.00 H new ATOM 555 N THR A 41 69.187 -10.874 -1.320 1.00 0.00 N ATOM 556 CA THR A 41 68.485 -10.148 -2.424 1.00 0.00 C ATOM 557 C THR A 41 67.287 -9.372 -1.872 1.00 0.00 C ATOM 558 O THR A 41 66.657 -9.793 -0.917 1.00 0.00 O ATOM 559 CB THR A 41 68.020 -11.243 -3.386 1.00 0.00 C ATOM 560 OG1 THR A 41 69.110 -12.103 -3.683 1.00 0.00 O ATOM 561 CG2 THR A 41 67.503 -10.606 -4.677 1.00 0.00 C ATOM 0 H THR A 41 68.754 -11.756 -1.047 1.00 0.00 H new ATOM 0 HA THR A 41 69.132 -9.421 -2.916 1.00 0.00 H new ATOM 0 HB THR A 41 67.219 -11.818 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.814 -12.806 -4.298 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.172 -11.387 -5.361 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.666 -9.946 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.302 -10.030 -5.144 1.00 0.00 H new ATOM 569 N VAL A 42 66.977 -8.246 -2.473 1.00 0.00 N ATOM 570 CA VAL A 42 65.871 -7.373 -1.960 1.00 0.00 C ATOM 571 C VAL A 42 64.933 -6.971 -3.105 1.00 0.00 C ATOM 572 O VAL A 42 65.367 -6.775 -4.228 1.00 0.00 O ATOM 573 CB VAL A 42 66.553 -6.133 -1.349 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.398 -6.556 -0.144 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.457 -5.433 -2.376 1.00 0.00 C ATOM 0 H VAL A 42 67.448 -7.891 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 42 65.263 -7.891 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 42 65.775 -5.436 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 42 67.880 -5.679 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.757 -7.023 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.159 -7.267 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.924 -4.562 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.230 -6.125 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.859 -5.115 -3.230 1.00 0.00 H new ATOM 585 N ARG A 43 63.655 -6.856 -2.814 1.00 0.00 N ATOM 586 CA ARG A 43 62.669 -6.373 -3.828 1.00 0.00 C ATOM 587 C ARG A 43 61.714 -5.359 -3.189 1.00 0.00 C ATOM 588 O ARG A 43 61.438 -5.423 -2.004 1.00 0.00 O ATOM 589 CB ARG A 43 61.905 -7.625 -4.263 1.00 0.00 C ATOM 590 CG ARG A 43 62.839 -8.549 -5.045 1.00 0.00 C ATOM 591 CD ARG A 43 62.089 -9.829 -5.433 1.00 0.00 C ATOM 592 NE ARG A 43 62.031 -10.660 -4.182 1.00 0.00 N ATOM 593 CZ ARG A 43 61.128 -11.612 -4.009 1.00 0.00 C ATOM 594 NH1 ARG A 43 60.222 -11.905 -4.917 1.00 0.00 N ATOM 595 NH2 ARG A 43 61.142 -12.292 -2.895 1.00 0.00 N ATOM 0 H ARG A 43 63.253 -7.080 -1.904 1.00 0.00 H new ATOM 0 HA ARG A 43 63.149 -5.875 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.510 -8.144 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 43 61.051 -7.346 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.203 -8.043 -5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.712 -8.796 -4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.088 -9.601 -5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 43 62.607 -10.360 -6.232 1.00 0.00 H new ATOM 0 HE ARG A 43 62.710 -10.484 -3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 43 60.197 -11.390 -5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 43 59.545 -12.647 -4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 43 61.839 -12.085 -2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 43 60.456 -13.030 -2.740 1.00 0.00 H new ATOM 609 N THR A 44 61.204 -4.429 -3.971 1.00 0.00 N ATOM 610 CA THR A 44 60.307 -3.348 -3.419 1.00 0.00 C ATOM 611 C THR A 44 59.104 -3.944 -2.667 1.00 0.00 C ATOM 612 O THR A 44 58.492 -4.894 -3.124 1.00 0.00 O ATOM 613 CB THR A 44 59.815 -2.557 -4.638 1.00 0.00 C ATOM 614 OG1 THR A 44 60.923 -2.230 -5.465 1.00 0.00 O ATOM 615 CG2 THR A 44 59.128 -1.270 -4.174 1.00 0.00 C ATOM 0 H THR A 44 61.371 -4.371 -4.976 1.00 0.00 H new ATOM 0 HA THR A 44 60.846 -2.724 -2.706 1.00 0.00 H new ATOM 0 HB THR A 44 59.104 -3.163 -5.200 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.611 -1.726 -6.246 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.780 -0.710 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.278 -1.520 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.836 -0.662 -3.611 1.00 0.00 H new ATOM 623 N GLY A 45 58.776 -3.385 -1.523 1.00 0.00 N ATOM 624 CA GLY A 45 57.573 -3.840 -0.758 1.00 0.00 C ATOM 625 C GLY A 45 57.962 -4.811 0.371 1.00 0.00 C ATOM 626 O GLY A 45 57.180 -5.026 1.281 1.00 0.00 O ATOM 0 H GLY A 45 59.297 -2.626 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.059 -2.976 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.872 -4.328 -1.435 1.00 0.00 H new ATOM 630 N ASP A 46 59.145 -5.395 0.324 1.00 0.00 N ATOM 631 CA ASP A 46 59.578 -6.335 1.419 1.00 0.00 C ATOM 632 C ASP A 46 59.718 -5.593 2.752 1.00 0.00 C ATOM 633 O ASP A 46 59.974 -4.401 2.781 1.00 0.00 O ATOM 634 CB ASP A 46 60.940 -6.892 0.990 1.00 0.00 C ATOM 635 CG ASP A 46 60.766 -7.845 -0.197 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.812 -8.607 -0.193 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.598 -7.800 -1.087 1.00 0.00 O ATOM 0 H ASP A 46 59.827 -5.261 -0.423 1.00 0.00 H new ATOM 0 HA ASP A 46 58.842 -7.126 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.607 -6.074 0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.406 -7.417 1.824 1.00 0.00 H new ATOM 642 N VAL A 47 59.549 -6.298 3.847 1.00 0.00 N ATOM 643 CA VAL A 47 59.783 -5.697 5.200 1.00 0.00 C ATOM 644 C VAL A 47 60.760 -6.588 5.979 1.00 0.00 C ATOM 645 O VAL A 47 60.577 -7.791 6.054 1.00 0.00 O ATOM 646 CB VAL A 47 58.400 -5.658 5.886 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.519 -5.035 7.283 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.422 -4.812 5.062 1.00 0.00 C ATOM 0 H VAL A 47 59.256 -7.275 3.860 1.00 0.00 H new ATOM 0 HA VAL A 47 60.217 -4.698 5.149 1.00 0.00 H new ATOM 0 HB VAL A 47 58.032 -6.681 5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.537 -5.013 7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.201 -5.630 7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 47 58.903 -4.019 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.451 -4.793 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 47 57.805 -3.795 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.314 -5.246 4.068 1.00 0.00 H new ATOM 658 N ILE A 48 61.787 -6.001 6.552 1.00 0.00 N ATOM 659 CA ILE A 48 62.785 -6.799 7.340 1.00 0.00 C ATOM 660 C ILE A 48 63.156 -6.062 8.633 1.00 0.00 C ATOM 661 O ILE A 48 63.090 -4.848 8.698 1.00 0.00 O ATOM 662 CB ILE A 48 64.014 -6.993 6.429 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.609 -5.640 5.987 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.605 -7.799 5.191 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.660 -5.173 7.001 1.00 0.00 C ATOM 0 H ILE A 48 61.978 -5.000 6.508 1.00 0.00 H new ATOM 0 HA ILE A 48 62.377 -7.765 7.637 1.00 0.00 H new ATOM 0 HB ILE A 48 64.776 -7.529 6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.062 -5.737 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.817 -4.896 5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.472 -7.938 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.223 -8.772 5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.829 -7.261 4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.075 -4.217 6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.195 -5.057 7.980 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.459 -5.912 7.064 1.00 0.00 H new ATOM 677 N GLY A 49 63.538 -6.797 9.655 1.00 0.00 N ATOM 678 CA GLY A 49 63.887 -6.174 10.969 1.00 0.00 C ATOM 679 C GLY A 49 65.391 -6.308 11.220 1.00 0.00 C ATOM 680 O GLY A 49 65.991 -7.315 10.883 1.00 0.00 O ATOM 0 H GLY A 49 63.623 -7.813 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.600 -5.122 10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.330 -6.658 11.771 1.00 0.00 H new ATOM 684 N ILE A 50 65.995 -5.299 11.806 1.00 0.00 N ATOM 685 CA ILE A 50 67.445 -5.378 12.178 1.00 0.00 C ATOM 686 C ILE A 50 67.603 -5.053 13.672 1.00 0.00 C ATOM 687 O ILE A 50 67.003 -4.119 14.173 1.00 0.00 O ATOM 688 CB ILE A 50 68.160 -4.329 11.299 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.962 -4.668 9.813 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.665 -4.320 11.601 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.391 -3.480 8.948 1.00 0.00 C ATOM 0 H ILE A 50 65.541 -4.417 12.044 1.00 0.00 H new ATOM 0 HA ILE A 50 67.867 -6.370 12.016 1.00 0.00 H new ATOM 0 HB ILE A 50 67.734 -3.350 11.519 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.546 -5.550 9.551 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.916 -4.910 9.622 1.00 0.00 H new ATOM 0 HG21 ILE A 50 70.157 -3.576 10.975 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.824 -4.073 12.651 1.00 0.00 H new ATOM 0 HG23 ILE A 50 70.084 -5.304 11.392 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.249 -3.726 7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.788 -2.608 9.202 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.443 -3.259 9.130 1.00 0.00 H new ATOM 703 N SER A 51 68.399 -5.829 14.374 1.00 0.00 N ATOM 704 CA SER A 51 68.764 -5.479 15.784 1.00 0.00 C ATOM 705 C SER A 51 70.035 -4.624 15.804 1.00 0.00 C ATOM 706 O SER A 51 71.074 -5.045 15.323 1.00 0.00 O ATOM 707 CB SER A 51 69.016 -6.820 16.480 1.00 0.00 C ATOM 708 OG SER A 51 69.364 -6.586 17.838 1.00 0.00 O ATOM 0 H SER A 51 68.813 -6.694 14.027 1.00 0.00 H new ATOM 0 HA SER A 51 67.981 -4.904 16.278 1.00 0.00 H new ATOM 0 HB2 SER A 51 68.125 -7.445 16.423 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.817 -7.360 15.975 1.00 0.00 H new ATOM 0 HG SER A 51 69.524 -7.442 18.287 1.00 0.00 H new ATOM 714 N ILE A 52 69.954 -3.433 16.354 1.00 0.00 N ATOM 715 CA ILE A 52 71.149 -2.529 16.418 1.00 0.00 C ATOM 716 C ILE A 52 71.331 -2.023 17.857 1.00 0.00 C ATOM 717 O ILE A 52 70.426 -1.460 18.441 1.00 0.00 O ATOM 718 CB ILE A 52 70.847 -1.365 15.450 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.628 -1.900 14.027 1.00 0.00 C ATOM 720 CG2 ILE A 52 72.027 -0.382 15.422 1.00 0.00 C ATOM 721 CD1 ILE A 52 70.007 -0.805 13.156 1.00 0.00 C ATOM 0 H ILE A 52 69.104 -3.046 16.764 1.00 0.00 H new ATOM 0 HA ILE A 52 72.072 -3.036 16.136 1.00 0.00 H new ATOM 0 HB ILE A 52 69.947 -0.858 15.798 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.577 -2.224 13.600 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.975 -2.772 14.052 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.804 0.435 14.736 1.00 0.00 H new ATOM 0 HG22 ILE A 52 72.191 0.018 16.422 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.925 -0.901 15.087 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.853 -1.187 12.147 1.00 0.00 H new ATOM 0 HD12 ILE A 52 69.050 -0.502 13.580 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.676 0.055 13.120 1.00 0.00 H new ATOM 733 N LEU A 53 72.507 -2.226 18.425 1.00 0.00 N ATOM 734 CA LEU A 53 72.837 -1.702 19.802 1.00 0.00 C ATOM 735 C LEU A 53 71.764 -2.091 20.834 1.00 0.00 C ATOM 736 O LEU A 53 71.501 -1.354 21.769 1.00 0.00 O ATOM 737 CB LEU A 53 72.917 -0.176 19.658 1.00 0.00 C ATOM 738 CG LEU A 53 74.106 0.192 18.769 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.964 1.642 18.302 1.00 0.00 C ATOM 740 CD2 LEU A 53 75.405 0.039 19.564 1.00 0.00 C ATOM 0 H LEU A 53 73.267 -2.743 17.983 1.00 0.00 H new ATOM 0 HA LEU A 53 73.772 -2.129 20.165 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.993 0.208 19.225 1.00 0.00 H new ATOM 0 HB3 LEU A 53 73.026 0.287 20.639 1.00 0.00 H new ATOM 0 HG LEU A 53 74.129 -0.469 17.903 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.811 1.905 17.668 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.039 1.753 17.736 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.940 2.303 19.169 1.00 0.00 H new ATOM 0 HD21 LEU A 53 76.252 0.301 18.930 1.00 0.00 H new ATOM 0 HD22 LEU A 53 75.381 0.700 20.430 1.00 0.00 H new ATOM 0 HD23 LEU A 53 75.508 -0.993 19.898 1.00 0.00 H new ATOM 752 N GLY A 54 71.154 -3.242 20.661 1.00 0.00 N ATOM 753 CA GLY A 54 70.130 -3.726 21.640 1.00 0.00 C ATOM 754 C GLY A 54 68.791 -3.004 21.422 1.00 0.00 C ATOM 755 O GLY A 54 67.987 -2.919 22.336 1.00 0.00 O ATOM 0 H GLY A 54 71.325 -3.871 19.876 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.992 -4.801 21.529 1.00 0.00 H new ATOM 0 HA3 GLY A 54 70.481 -3.553 22.657 1.00 0.00 H new ATOM 759 N LYS A 55 68.543 -2.487 20.233 1.00 0.00 N ATOM 760 CA LYS A 55 67.248 -1.789 19.953 1.00 0.00 C ATOM 761 C LYS A 55 66.647 -2.306 18.643 1.00 0.00 C ATOM 762 O LYS A 55 67.326 -2.380 17.635 1.00 0.00 O ATOM 763 CB LYS A 55 67.610 -0.307 19.827 1.00 0.00 C ATOM 764 CG LYS A 55 68.086 0.228 21.181 1.00 0.00 C ATOM 765 CD LYS A 55 66.897 0.337 22.138 1.00 0.00 C ATOM 766 CE LYS A 55 67.342 1.027 23.429 1.00 0.00 C ATOM 767 NZ LYS A 55 66.080 1.489 24.071 1.00 0.00 N ATOM 0 H LYS A 55 69.189 -2.522 19.444 1.00 0.00 H new ATOM 0 HA LYS A 55 66.509 -1.960 20.736 1.00 0.00 H new ATOM 0 HB2 LYS A 55 68.392 -0.177 19.079 1.00 0.00 H new ATOM 0 HB3 LYS A 55 66.744 0.260 19.485 1.00 0.00 H new ATOM 0 HG2 LYS A 55 68.843 -0.435 21.600 1.00 0.00 H new ATOM 0 HG3 LYS A 55 68.553 1.204 21.053 1.00 0.00 H new ATOM 0 HD2 LYS A 55 66.091 0.902 21.670 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.503 -0.655 22.360 1.00 0.00 H new ATOM 0 HE2 LYS A 55 67.886 0.340 24.077 1.00 0.00 H new ATOM 0 HE3 LYS A 55 68.008 1.864 23.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 66.302 1.973 24.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 65.587 2.147 23.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 65.469 0.670 24.264 1.00 0.00 H new ATOM 781 N GLU A 56 65.382 -2.665 18.663 1.00 0.00 N ATOM 782 CA GLU A 56 64.719 -3.202 17.428 1.00 0.00 C ATOM 783 C GLU A 56 64.288 -2.054 16.511 1.00 0.00 C ATOM 784 O GLU A 56 63.609 -1.137 16.938 1.00 0.00 O ATOM 785 CB GLU A 56 63.493 -3.976 17.922 1.00 0.00 C ATOM 786 CG GLU A 56 62.895 -4.781 16.766 1.00 0.00 C ATOM 787 CD GLU A 56 61.607 -5.464 17.229 1.00 0.00 C ATOM 788 OE1 GLU A 56 61.674 -6.231 18.176 1.00 0.00 O ATOM 789 OE2 GLU A 56 60.576 -5.207 16.631 1.00 0.00 O ATOM 0 H GLU A 56 64.779 -2.609 19.484 1.00 0.00 H new ATOM 0 HA GLU A 56 65.393 -3.836 16.853 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.775 -4.644 18.736 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.750 -3.285 18.320 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.687 -4.124 15.921 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.611 -5.527 16.421 1.00 0.00 H new ATOM 796 N VAL A 57 64.683 -2.105 15.259 1.00 0.00 N ATOM 797 CA VAL A 57 64.188 -1.111 14.250 1.00 0.00 C ATOM 798 C VAL A 57 63.612 -1.851 13.031 1.00 0.00 C ATOM 799 O VAL A 57 64.231 -2.757 12.499 1.00 0.00 O ATOM 800 CB VAL A 57 65.417 -0.247 13.883 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.552 -1.108 13.311 1.00 0.00 C ATOM 802 CG2 VAL A 57 65.025 0.815 12.848 1.00 0.00 C ATOM 0 H VAL A 57 65.333 -2.799 14.890 1.00 0.00 H new ATOM 0 HA VAL A 57 63.383 -0.484 14.633 1.00 0.00 H new ATOM 0 HB VAL A 57 65.767 0.234 14.796 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.402 -0.472 13.063 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.857 -1.847 14.052 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.205 -1.617 12.412 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.898 1.418 12.597 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.651 0.326 11.949 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.248 1.457 13.262 1.00 0.00 H new ATOM 812 N LYS A 58 62.431 -1.465 12.602 1.00 0.00 N ATOM 813 CA LYS A 58 61.823 -2.066 11.373 1.00 0.00 C ATOM 814 C LYS A 58 62.123 -1.192 10.152 1.00 0.00 C ATOM 815 O LYS A 58 62.001 0.019 10.208 1.00 0.00 O ATOM 816 CB LYS A 58 60.317 -2.100 11.645 1.00 0.00 C ATOM 817 CG LYS A 58 60.019 -3.097 12.768 1.00 0.00 C ATOM 818 CD LYS A 58 58.509 -3.318 12.871 1.00 0.00 C ATOM 819 CE LYS A 58 57.849 -2.077 13.475 1.00 0.00 C ATOM 820 NZ LYS A 58 56.567 -2.567 14.053 1.00 0.00 N ATOM 0 H LYS A 58 61.859 -0.753 13.056 1.00 0.00 H new ATOM 0 HA LYS A 58 62.222 -3.058 11.163 1.00 0.00 H new ATOM 0 HB2 LYS A 58 59.965 -1.107 11.924 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.780 -2.385 10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.523 -4.043 12.571 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.407 -2.721 13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 58 58.093 -3.520 11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 58 58.300 -4.191 13.490 1.00 0.00 H new ATOM 0 HE2 LYS A 58 58.481 -1.627 14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 58 57.674 -1.314 12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.056 -1.772 14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 55.984 -2.984 13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 56.765 -3.287 14.777 1.00 0.00 H new ATOM 834 N PHE A 59 62.515 -1.804 9.056 1.00 0.00 N ATOM 835 CA PHE A 59 62.843 -1.032 7.816 1.00 0.00 C ATOM 836 C PHE A 59 61.943 -1.471 6.657 1.00 0.00 C ATOM 837 O PHE A 59 61.779 -2.654 6.408 1.00 0.00 O ATOM 838 CB PHE A 59 64.303 -1.371 7.513 1.00 0.00 C ATOM 839 CG PHE A 59 65.292 -0.558 8.315 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.520 0.816 7.990 1.00 0.00 C ATOM 841 CD2 PHE A 59 66.007 -1.164 9.394 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.461 1.582 8.746 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.947 -0.398 10.148 1.00 0.00 C ATOM 844 CZ PHE A 59 67.174 0.974 9.826 1.00 0.00 C ATOM 0 H PHE A 59 62.622 -2.815 8.970 1.00 0.00 H new ATOM 0 HA PHE A 59 62.688 0.039 7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.470 -2.430 7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.491 -1.212 6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 59 64.982 1.275 7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.836 -2.202 9.639 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.633 2.620 8.501 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.487 -0.857 10.963 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.884 1.553 10.398 1.00 0.00 H new ATOM 854 N LYS A 60 61.365 -0.520 5.957 1.00 0.00 N ATOM 855 CA LYS A 60 60.556 -0.837 4.740 1.00 0.00 C ATOM 856 C LYS A 60 61.398 -0.607 3.481 1.00 0.00 C ATOM 857 O LYS A 60 62.105 0.382 3.380 1.00 0.00 O ATOM 858 CB LYS A 60 59.375 0.140 4.790 1.00 0.00 C ATOM 859 CG LYS A 60 58.383 -0.175 3.666 1.00 0.00 C ATOM 860 CD LYS A 60 57.614 -1.455 3.999 1.00 0.00 C ATOM 861 CE LYS A 60 56.373 -1.548 3.108 1.00 0.00 C ATOM 862 NZ LYS A 60 55.858 -2.933 3.305 1.00 0.00 N ATOM 0 H LYS A 60 61.422 0.473 6.183 1.00 0.00 H new ATOM 0 HA LYS A 60 60.223 -1.875 4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 60 58.876 0.070 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.736 1.164 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 60 57.688 0.655 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.915 -0.294 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 60 58.251 -2.326 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.322 -1.454 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 60 55.627 -0.806 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 60 56.623 -1.365 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.944 -3.036 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 56.537 -3.615 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.734 -3.116 4.321 1.00 0.00 H new ATOM 876 N VAL A 61 61.324 -1.512 2.531 1.00 0.00 N ATOM 877 CA VAL A 61 62.052 -1.325 1.232 1.00 0.00 C ATOM 878 C VAL A 61 61.199 -0.454 0.301 1.00 0.00 C ATOM 879 O VAL A 61 60.152 -0.875 -0.158 1.00 0.00 O ATOM 880 CB VAL A 61 62.251 -2.738 0.643 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.028 -2.658 -0.677 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.048 -3.612 1.623 1.00 0.00 C ATOM 0 H VAL A 61 60.788 -2.377 2.600 1.00 0.00 H new ATOM 0 HA VAL A 61 63.013 -0.828 1.362 1.00 0.00 H new ATOM 0 HB VAL A 61 61.268 -3.175 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.162 -3.661 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.472 -2.050 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.004 -2.206 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.182 -4.606 1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.023 -3.160 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.505 -3.691 2.565 1.00 0.00 H new ATOM 892 N VAL A 62 61.654 0.747 0.024 1.00 0.00 N ATOM 893 CA VAL A 62 60.826 1.722 -0.759 1.00 0.00 C ATOM 894 C VAL A 62 60.899 1.364 -2.248 1.00 0.00 C ATOM 895 O VAL A 62 59.896 1.370 -2.939 1.00 0.00 O ATOM 896 CB VAL A 62 61.430 3.117 -0.491 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.626 4.196 -1.230 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.391 3.428 1.010 1.00 0.00 C ATOM 0 H VAL A 62 62.569 1.095 0.309 1.00 0.00 H new ATOM 0 HA VAL A 62 59.776 1.701 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 62 62.461 3.115 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 62 61.063 5.175 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.650 3.998 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.593 4.183 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.819 4.414 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.358 3.413 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 62 61.968 2.678 1.552 1.00 0.00 H new ATOM 908 N GLN A 63 62.083 1.055 -2.737 1.00 0.00 N ATOM 909 CA GLN A 63 62.238 0.662 -4.175 1.00 0.00 C ATOM 910 C GLN A 63 63.595 -0.008 -4.409 1.00 0.00 C ATOM 911 O GLN A 63 64.610 0.453 -3.921 1.00 0.00 O ATOM 912 CB GLN A 63 62.149 1.970 -4.966 1.00 0.00 C ATOM 913 CG GLN A 63 61.871 1.661 -6.438 1.00 0.00 C ATOM 914 CD GLN A 63 61.312 2.907 -7.125 1.00 0.00 C ATOM 915 OE1 GLN A 63 61.756 4.009 -6.866 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.351 2.781 -7.998 1.00 0.00 N ATOM 0 H GLN A 63 62.949 1.059 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 63 61.475 -0.053 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.357 2.599 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.080 2.529 -4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.788 1.341 -6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 63 61.161 0.838 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 63 59.978 1.857 -8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 63 59.973 3.606 -8.463 1.00 0.00 H new ATOM 925 N ALA A 64 63.605 -1.093 -5.152 1.00 0.00 N ATOM 926 CA ALA A 64 64.892 -1.733 -5.562 1.00 0.00 C ATOM 927 C ALA A 64 65.205 -1.390 -7.022 1.00 0.00 C ATOM 928 O ALA A 64 64.351 -1.500 -7.883 1.00 0.00 O ATOM 929 CB ALA A 64 64.654 -3.235 -5.403 1.00 0.00 C ATOM 0 H ALA A 64 62.767 -1.564 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 64 65.737 -1.390 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.556 -3.778 -5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.407 -3.456 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.829 -3.543 -6.045 1.00 0.00 H new ATOM 935 N TYR A 65 66.423 -0.976 -7.295 1.00 0.00 N ATOM 936 CA TYR A 65 66.807 -0.575 -8.686 1.00 0.00 C ATOM 937 C TYR A 65 68.102 -1.304 -9.110 1.00 0.00 C ATOM 938 O TYR A 65 69.128 -1.064 -8.506 1.00 0.00 O ATOM 939 CB TYR A 65 67.055 0.935 -8.599 1.00 0.00 C ATOM 940 CG TYR A 65 65.814 1.765 -8.831 1.00 0.00 C ATOM 941 CD1 TYR A 65 65.019 1.552 -10.000 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.436 2.765 -7.883 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.847 2.339 -10.220 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.263 3.552 -8.103 1.00 0.00 C ATOM 945 CZ TYR A 65 63.469 3.339 -9.272 1.00 0.00 C ATOM 946 OH TYR A 65 62.337 4.099 -9.485 1.00 0.00 O ATOM 0 H TYR A 65 67.172 -0.899 -6.607 1.00 0.00 H new ATOM 0 HA TYR A 65 66.041 -0.828 -9.419 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.462 1.172 -7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.811 1.214 -9.333 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.304 0.796 -10.717 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.037 2.926 -7.000 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.247 2.178 -11.103 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.977 4.307 -7.386 1.00 0.00 H new ATOM 0 HH TYR A 65 62.124 4.604 -8.672 1.00 0.00 H new ATOM 956 N PRO A 66 68.065 -2.170 -10.118 1.00 0.00 N ATOM 957 CA PRO A 66 66.811 -2.774 -10.680 1.00 0.00 C ATOM 958 C PRO A 66 66.262 -3.835 -9.723 1.00 0.00 C ATOM 959 O PRO A 66 66.966 -4.299 -8.846 1.00 0.00 O ATOM 960 CB PRO A 66 67.286 -3.419 -11.980 1.00 0.00 C ATOM 961 CG PRO A 66 68.715 -3.752 -11.724 1.00 0.00 C ATOM 962 CD PRO A 66 69.252 -2.670 -10.829 1.00 0.00 C ATOM 0 HA PRO A 66 66.011 -2.050 -10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.706 -4.311 -12.217 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.181 -2.737 -12.824 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.807 -4.729 -11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.276 -3.797 -12.657 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.997 -3.060 -10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.734 -1.880 -11.404 1.00 0.00 H new ATOM 970 N SER A 67 65.016 -4.218 -9.890 1.00 0.00 N ATOM 971 CA SER A 67 64.431 -5.300 -9.038 1.00 0.00 C ATOM 972 C SER A 67 64.380 -6.623 -9.833 1.00 0.00 C ATOM 973 O SER A 67 64.062 -6.590 -11.005 1.00 0.00 O ATOM 974 CB SER A 67 63.015 -4.821 -8.714 1.00 0.00 C ATOM 975 OG SER A 67 63.084 -3.712 -7.829 1.00 0.00 O ATOM 0 H SER A 67 64.379 -3.825 -10.583 1.00 0.00 H new ATOM 0 HA SER A 67 65.017 -5.485 -8.138 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.496 -4.538 -9.630 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.441 -5.628 -8.259 1.00 0.00 H new ATOM 0 HG SER A 67 63.517 -2.958 -8.282 1.00 0.00 H new ATOM 981 N PRO A 68 64.686 -7.762 -9.217 1.00 0.00 N ATOM 982 CA PRO A 68 65.390 -7.848 -7.894 1.00 0.00 C ATOM 983 C PRO A 68 66.877 -7.505 -8.049 1.00 0.00 C ATOM 984 O PRO A 68 67.412 -7.532 -9.144 1.00 0.00 O ATOM 985 CB PRO A 68 65.217 -9.314 -7.500 1.00 0.00 C ATOM 986 CG PRO A 68 65.100 -10.033 -8.799 1.00 0.00 C ATOM 987 CD PRO A 68 64.377 -9.104 -9.735 1.00 0.00 C ATOM 0 HA PRO A 68 64.994 -7.154 -7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 68 66.068 -9.674 -6.922 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.329 -9.458 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 68 66.084 -10.290 -9.191 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.551 -10.967 -8.678 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.722 -9.224 -10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.304 -9.294 -9.735 1.00 0.00 H new ATOM 995 N LEU A 69 67.536 -7.182 -6.957 1.00 0.00 N ATOM 996 CA LEU A 69 69.030 -7.060 -6.970 1.00 0.00 C ATOM 997 C LEU A 69 69.623 -7.590 -5.658 1.00 0.00 C ATOM 998 O LEU A 69 68.952 -7.620 -4.642 1.00 0.00 O ATOM 999 CB LEU A 69 69.332 -5.562 -7.162 1.00 0.00 C ATOM 1000 CG LEU A 69 68.749 -4.717 -6.010 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.773 -4.625 -4.869 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.410 -3.305 -6.514 1.00 0.00 C ATOM 0 H LEU A 69 67.099 -6.997 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 69 69.478 -7.650 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.410 -5.411 -7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.915 -5.224 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 69 67.839 -5.193 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.360 -4.028 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.002 -5.626 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.686 -4.156 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.999 -2.715 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.314 -2.825 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.676 -3.372 -7.317 1.00 0.00 H new ATOM 1014 N ARG A 70 70.869 -8.006 -5.686 1.00 0.00 N ATOM 1015 CA ARG A 70 71.593 -8.342 -4.419 1.00 0.00 C ATOM 1016 C ARG A 70 72.357 -7.115 -3.916 1.00 0.00 C ATOM 1017 O ARG A 70 72.883 -6.343 -4.700 1.00 0.00 O ATOM 1018 CB ARG A 70 72.565 -9.469 -4.786 1.00 0.00 C ATOM 1019 CG ARG A 70 71.892 -10.828 -4.574 1.00 0.00 C ATOM 1020 CD ARG A 70 72.707 -11.919 -5.276 1.00 0.00 C ATOM 1021 NE ARG A 70 72.026 -13.216 -4.939 1.00 0.00 N ATOM 1022 CZ ARG A 70 72.168 -14.302 -5.681 1.00 0.00 C ATOM 1023 NH1 ARG A 70 72.923 -14.333 -6.757 1.00 0.00 N ATOM 1024 NH2 ARG A 70 71.538 -15.389 -5.327 1.00 0.00 N ATOM 0 H ARG A 70 71.417 -8.127 -6.538 1.00 0.00 H new ATOM 0 HA ARG A 70 70.911 -8.647 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.878 -9.367 -5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.464 -9.399 -4.174 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.816 -11.045 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.876 -10.808 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.731 -11.758 -6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.741 -11.918 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 70 71.434 -13.260 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 70 73.429 -13.497 -7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 70 73.003 -15.193 -7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.951 -15.389 -4.493 1.00 0.00 H new ATOM 0 HH22 ARG A 70 71.633 -16.238 -5.884 1.00 0.00 H new ATOM 1038 N VAL A 71 72.415 -6.939 -2.614 1.00 0.00 N ATOM 1039 CA VAL A 71 73.142 -5.764 -2.030 1.00 0.00 C ATOM 1040 C VAL A 71 74.641 -6.089 -1.953 1.00 0.00 C ATOM 1041 O VAL A 71 75.027 -7.119 -1.432 1.00 0.00 O ATOM 1042 CB VAL A 71 72.537 -5.550 -0.625 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.219 -4.366 0.075 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.039 -5.248 -0.743 1.00 0.00 C ATOM 0 H VAL A 71 71.988 -7.562 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 71 73.037 -4.861 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 71 72.692 -6.459 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.782 -4.227 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.286 -4.567 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.074 -3.461 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.619 -5.098 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.895 -4.346 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.536 -6.085 -1.227 1.00 0.00 H new ATOM 1054 N GLU A 72 75.470 -5.212 -2.471 1.00 0.00 N ATOM 1055 CA GLU A 72 76.947 -5.458 -2.480 1.00 0.00 C ATOM 1056 C GLU A 72 77.688 -4.228 -1.953 1.00 0.00 C ATOM 1057 O GLU A 72 77.081 -3.215 -1.652 1.00 0.00 O ATOM 1058 CB GLU A 72 77.311 -5.698 -3.949 1.00 0.00 C ATOM 1059 CG GLU A 72 76.637 -6.978 -4.451 1.00 0.00 C ATOM 1060 CD GLU A 72 77.253 -7.394 -5.788 1.00 0.00 C ATOM 1061 OE1 GLU A 72 77.443 -6.529 -6.628 1.00 0.00 O ATOM 1062 OE2 GLU A 72 77.521 -8.573 -5.953 1.00 0.00 O ATOM 0 H GLU A 72 75.182 -4.328 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 72 77.222 -6.302 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.995 -4.849 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 72 78.393 -5.780 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 72 76.760 -7.776 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 72 75.566 -6.815 -4.568 1.00 0.00 H new ATOM 1069 N ASP A 73 78.995 -4.317 -1.841 1.00 0.00 N ATOM 1070 CA ASP A 73 79.832 -3.097 -1.562 1.00 0.00 C ATOM 1071 C ASP A 73 79.696 -2.069 -2.695 1.00 0.00 C ATOM 1072 O ASP A 73 79.825 -0.879 -2.470 1.00 0.00 O ATOM 1073 CB ASP A 73 81.281 -3.594 -1.475 1.00 0.00 C ATOM 1074 CG ASP A 73 82.171 -2.480 -0.919 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.773 -1.860 0.054 1.00 0.00 O ATOM 1076 OD2 ASP A 73 83.235 -2.267 -1.475 1.00 0.00 O ATOM 0 H ASP A 73 79.522 -5.185 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 73 79.514 -2.604 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.337 -4.473 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.633 -3.897 -2.461 1.00 0.00 H new ATOM 1081 N ARG A 74 79.437 -2.527 -3.903 1.00 0.00 N ATOM 1082 CA ARG A 74 79.315 -1.590 -5.070 1.00 0.00 C ATOM 1083 C ARG A 74 77.903 -0.991 -5.162 1.00 0.00 C ATOM 1084 O ARG A 74 77.718 0.043 -5.783 1.00 0.00 O ATOM 1085 CB ARG A 74 79.610 -2.439 -6.311 1.00 0.00 C ATOM 1086 CG ARG A 74 81.071 -2.892 -6.290 1.00 0.00 C ATOM 1087 CD ARG A 74 81.403 -3.606 -7.602 1.00 0.00 C ATOM 1088 NE ARG A 74 82.756 -4.210 -7.381 1.00 0.00 N ATOM 1089 CZ ARG A 74 82.930 -5.325 -6.692 1.00 0.00 C ATOM 1090 NH1 ARG A 74 81.931 -5.983 -6.145 1.00 0.00 N ATOM 1091 NH2 ARG A 74 84.141 -5.789 -6.547 1.00 0.00 N ATOM 0 H ARG A 74 79.305 -3.513 -4.130 1.00 0.00 H new ATOM 0 HA ARG A 74 80.003 -0.750 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 74 78.950 -3.306 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.411 -1.862 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 74 81.727 -2.032 -6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.244 -3.560 -5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 74 80.662 -4.371 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 74 81.414 -2.909 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 74 83.573 -3.744 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 74 80.977 -5.636 -6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 74 82.111 -6.840 -5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 74 84.930 -5.293 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 74 84.298 -6.648 -6.019 1.00 0.00 H new ATOM 1105 N THR A 75 76.914 -1.623 -4.559 1.00 0.00 N ATOM 1106 CA THR A 75 75.529 -1.043 -4.558 1.00 0.00 C ATOM 1107 C THR A 75 75.429 0.087 -3.529 1.00 0.00 C ATOM 1108 O THR A 75 75.843 -0.067 -2.392 1.00 0.00 O ATOM 1109 CB THR A 75 74.591 -2.192 -4.176 1.00 0.00 C ATOM 1110 OG1 THR A 75 74.913 -3.343 -4.945 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.143 -1.781 -4.450 1.00 0.00 C ATOM 0 H THR A 75 77.009 -2.513 -4.070 1.00 0.00 H new ATOM 0 HA THR A 75 75.271 -0.622 -5.530 1.00 0.00 H new ATOM 0 HB THR A 75 74.708 -2.420 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.682 -3.184 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.475 -2.598 -4.178 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.897 -0.899 -3.858 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.024 -1.552 -5.509 1.00 0.00 H new ATOM 1119 N LYS A 76 74.883 1.214 -3.929 1.00 0.00 N ATOM 1120 CA LYS A 76 74.721 2.369 -2.987 1.00 0.00 C ATOM 1121 C LYS A 76 73.386 2.257 -2.245 1.00 0.00 C ATOM 1122 O LYS A 76 72.413 1.767 -2.789 1.00 0.00 O ATOM 1123 CB LYS A 76 74.735 3.622 -3.870 1.00 0.00 C ATOM 1124 CG LYS A 76 76.114 3.784 -4.513 1.00 0.00 C ATOM 1125 CD LYS A 76 76.122 5.031 -5.398 1.00 0.00 C ATOM 1126 CE LYS A 76 77.328 4.981 -6.339 1.00 0.00 C ATOM 1127 NZ LYS A 76 77.527 6.388 -6.783 1.00 0.00 N ATOM 0 H LYS A 76 74.541 1.383 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 76 75.509 2.396 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 76 73.970 3.543 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.496 4.502 -3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 76 76.879 3.868 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.356 2.902 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 76 75.199 5.086 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 76 76.166 5.928 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 76 78.212 4.599 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 76 77.140 4.322 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 78.338 6.436 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 76.672 6.722 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.710 6.991 -5.955 1.00 0.00 H new ATOM 1141 N ILE A 77 73.339 2.705 -1.010 1.00 0.00 N ATOM 1142 CA ILE A 77 72.059 2.670 -0.228 1.00 0.00 C ATOM 1143 C ILE A 77 71.751 4.074 0.307 1.00 0.00 C ATOM 1144 O ILE A 77 72.611 4.731 0.869 1.00 0.00 O ATOM 1145 CB ILE A 77 72.300 1.660 0.913 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.591 0.273 0.322 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.055 1.557 1.806 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.146 -0.647 1.410 1.00 0.00 C ATOM 0 H ILE A 77 74.137 3.095 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 77 71.201 2.369 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 77 73.148 2.004 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.679 -0.153 -0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.307 0.359 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.240 0.841 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.834 2.534 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.206 1.223 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.351 -1.630 0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 77 74.068 -0.224 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.415 -0.744 2.213 1.00 0.00 H new ATOM 1160 N THR A 78 70.528 4.524 0.133 1.00 0.00 N ATOM 1161 CA THR A 78 70.147 5.909 0.553 1.00 0.00 C ATOM 1162 C THR A 78 68.964 5.862 1.524 1.00 0.00 C ATOM 1163 O THR A 78 68.068 5.050 1.375 1.00 0.00 O ATOM 1164 CB THR A 78 69.747 6.616 -0.744 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.761 6.422 -1.720 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.572 8.113 -0.478 1.00 0.00 C ATOM 0 H THR A 78 69.772 3.983 -0.287 1.00 0.00 H new ATOM 0 HA THR A 78 70.959 6.424 1.067 1.00 0.00 H new ATOM 0 HB THR A 78 68.807 6.202 -1.109 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.349 6.181 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.287 8.616 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.794 8.261 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.511 8.530 -0.113 1.00 0.00 H new ATOM 1174 N LEU A 79 68.967 6.729 2.513 1.00 0.00 N ATOM 1175 CA LEU A 79 67.817 6.811 3.466 1.00 0.00 C ATOM 1176 C LEU A 79 66.878 7.953 3.064 1.00 0.00 C ATOM 1177 O LEU A 79 67.309 9.080 2.890 1.00 0.00 O ATOM 1178 CB LEU A 79 68.449 7.093 4.831 1.00 0.00 C ATOM 1179 CG LEU A 79 69.256 5.875 5.286 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.124 6.257 6.487 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.298 4.750 5.689 1.00 0.00 C ATOM 0 H LEU A 79 69.724 7.387 2.699 1.00 0.00 H new ATOM 0 HA LEU A 79 67.223 5.897 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.096 7.968 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 79 67.673 7.321 5.562 1.00 0.00 H new ATOM 0 HG LEU A 79 69.893 5.537 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.699 5.389 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 79 70.806 7.059 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.486 6.596 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.872 3.882 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 79 67.661 5.090 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.678 4.477 4.835 1.00 0.00 H new ATOM 1193 N VAL A 80 65.606 7.660 2.919 1.00 0.00 N ATOM 1194 CA VAL A 80 64.614 8.710 2.515 1.00 0.00 C ATOM 1195 C VAL A 80 63.976 9.322 3.770 1.00 0.00 C ATOM 1196 O VAL A 80 63.655 8.619 4.712 1.00 0.00 O ATOM 1197 CB VAL A 80 63.561 7.976 1.656 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.477 8.957 1.188 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.229 7.362 0.419 1.00 0.00 C ATOM 0 H VAL A 80 65.210 6.731 3.064 1.00 0.00 H new ATOM 0 HA VAL A 80 65.072 9.526 1.957 1.00 0.00 H new ATOM 0 HB VAL A 80 63.110 7.193 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 80 61.742 8.426 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 80 61.985 9.396 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 80 62.934 9.747 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.479 6.846 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.689 8.151 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 80 64.994 6.652 0.733 1.00 0.00 H new