USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.0782 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 14:sc= 0.664 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.607 K(o=0.61,f=-2.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 100:sc= -1.35 USER MOD Single : A 28 GLN : amide:sc= -0.0118 K(o=-0.012,f=-0.51) USER MOD Single : A 29 ASN : amide:sc= -5.39! C(o=-5.4!,f=-18!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -65:sc= -0.16 USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= 0.0237 (180deg=0) USER MOD Single : A 46 MET CE :methyl -162:sc= -0.0457 (180deg=-0.582) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0386 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0498) USER MOD Single : A 70 SER OG : rot 40:sc= 0.0121 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 24:sc= 0.0453 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.878 16.451 23.319 1.00 0.00 N ATOM 2 CA GLY A 1 -23.644 17.084 22.035 1.00 0.00 C ATOM 3 C GLY A 1 -22.182 17.413 21.808 1.00 0.00 C ATOM 4 O GLY A 1 -21.547 18.059 22.642 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.892 16.246 23.426 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.338 15.564 23.372 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.572 17.089 24.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.993 16.425 21.240 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.233 17.999 21.972 1.00 0.00 H new ATOM 8 N SER A 2 -21.645 16.966 20.677 1.00 0.00 N ATOM 9 CA SER A 2 -20.246 17.212 20.346 1.00 0.00 C ATOM 10 C SER A 2 -20.074 17.431 18.846 1.00 0.00 C ATOM 11 O SER A 2 -20.538 16.631 18.033 1.00 0.00 O ATOM 12 CB SER A 2 -19.377 16.040 20.805 1.00 0.00 C ATOM 13 OG SER A 2 -19.834 14.818 20.250 1.00 0.00 O ATOM 0 H SER A 2 -22.157 16.432 19.975 1.00 0.00 H new ATOM 0 HA SER A 2 -19.928 18.115 20.867 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.342 16.213 20.509 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.391 15.977 21.893 1.00 0.00 H new ATOM 0 HG SER A 2 -20.298 14.996 19.405 1.00 0.00 H new ATOM 19 N SER A 3 -19.402 18.520 18.486 1.00 0.00 N ATOM 20 CA SER A 3 -19.171 18.847 17.084 1.00 0.00 C ATOM 21 C SER A 3 -18.109 19.934 16.948 1.00 0.00 C ATOM 22 O SER A 3 -17.776 20.617 17.916 1.00 0.00 O ATOM 23 CB SER A 3 -20.473 19.304 16.423 1.00 0.00 C ATOM 24 OG SER A 3 -20.883 20.564 16.924 1.00 0.00 O ATOM 0 H SER A 3 -19.008 19.191 19.146 1.00 0.00 H new ATOM 0 HA SER A 3 -18.813 17.949 16.581 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.335 19.366 15.344 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.255 18.566 16.603 1.00 0.00 H new ATOM 0 HG SER A 3 -21.716 20.835 16.485 1.00 0.00 H new ATOM 30 N GLY A 4 -17.581 20.089 15.738 1.00 0.00 N ATOM 31 CA GLY A 4 -16.562 21.094 15.496 1.00 0.00 C ATOM 32 C GLY A 4 -15.479 20.607 14.553 1.00 0.00 C ATOM 33 O GLY A 4 -14.411 20.182 14.991 1.00 0.00 O ATOM 0 H GLY A 4 -17.841 19.537 14.921 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.028 21.987 15.079 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.110 21.384 16.444 1.00 0.00 H new ATOM 37 N SER A 5 -15.757 20.667 13.254 1.00 0.00 N ATOM 38 CA SER A 5 -14.800 20.223 12.247 1.00 0.00 C ATOM 39 C SER A 5 -15.069 20.901 10.907 1.00 0.00 C ATOM 40 O SER A 5 -16.097 20.664 10.274 1.00 0.00 O ATOM 41 CB SER A 5 -14.866 18.704 12.085 1.00 0.00 C ATOM 42 OG SER A 5 -14.244 18.047 13.176 1.00 0.00 O ATOM 0 H SER A 5 -16.636 21.018 12.875 1.00 0.00 H new ATOM 0 HA SER A 5 -13.801 20.502 12.582 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.907 18.388 12.011 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.378 18.413 11.155 1.00 0.00 H new ATOM 0 HG SER A 5 -14.102 18.686 13.905 1.00 0.00 H new ATOM 48 N SER A 6 -14.136 21.747 10.482 1.00 0.00 N ATOM 49 CA SER A 6 -14.272 22.464 9.219 1.00 0.00 C ATOM 50 C SER A 6 -13.303 21.915 8.176 1.00 0.00 C ATOM 51 O SER A 6 -12.146 21.629 8.477 1.00 0.00 O ATOM 52 CB SER A 6 -14.023 23.959 9.427 1.00 0.00 C ATOM 53 OG SER A 6 -12.656 24.214 9.701 1.00 0.00 O ATOM 0 H SER A 6 -13.278 21.953 10.993 1.00 0.00 H new ATOM 0 HA SER A 6 -15.290 22.320 8.856 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.328 24.509 8.537 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.637 24.322 10.252 1.00 0.00 H new ATOM 0 HG SER A 6 -12.522 25.176 9.828 1.00 0.00 H new ATOM 59 N GLY A 7 -13.787 21.771 6.945 1.00 0.00 N ATOM 60 CA GLY A 7 -12.952 21.257 5.875 1.00 0.00 C ATOM 61 C GLY A 7 -12.600 19.795 6.066 1.00 0.00 C ATOM 62 O GLY A 7 -11.535 19.453 6.580 1.00 0.00 O ATOM 0 H GLY A 7 -14.742 22.001 6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.468 21.382 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.035 21.844 5.820 1.00 0.00 H new ATOM 66 N PRO A 8 -13.511 18.903 5.647 1.00 0.00 N ATOM 67 CA PRO A 8 -13.314 17.456 5.765 1.00 0.00 C ATOM 68 C PRO A 8 -12.231 16.939 4.823 1.00 0.00 C ATOM 69 O PRO A 8 -12.075 17.437 3.708 1.00 0.00 O ATOM 70 CB PRO A 8 -14.678 16.879 5.378 1.00 0.00 C ATOM 71 CG PRO A 8 -15.295 17.918 4.506 1.00 0.00 C ATOM 72 CD PRO A 8 -14.803 19.240 5.025 1.00 0.00 C ATOM 0 HA PRO A 8 -12.983 17.171 6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.572 15.931 4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.291 16.686 6.259 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.006 17.776 3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.383 17.864 4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.685 19.968 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.496 19.671 5.747 1.00 0.00 H new ATOM 80 N THR A 9 -11.485 15.938 5.279 1.00 0.00 N ATOM 81 CA THR A 9 -10.417 15.355 4.478 1.00 0.00 C ATOM 82 C THR A 9 -10.978 14.598 3.280 1.00 0.00 C ATOM 83 O THR A 9 -12.019 13.947 3.375 1.00 0.00 O ATOM 84 CB THR A 9 -9.547 14.397 5.313 1.00 0.00 C ATOM 85 OG1 THR A 9 -8.368 14.041 4.582 1.00 0.00 O ATOM 86 CG2 THR A 9 -10.322 13.140 5.678 1.00 0.00 C ATOM 0 H THR A 9 -11.601 15.514 6.199 1.00 0.00 H new ATOM 0 HA THR A 9 -9.800 16.182 4.126 1.00 0.00 H new ATOM 0 HB THR A 9 -9.263 14.909 6.232 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.820 13.433 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.687 12.479 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.202 13.412 6.261 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.633 12.627 4.768 1.00 0.00 H new ATOM 94 N LYS A 10 -10.283 14.686 2.151 1.00 0.00 N ATOM 95 CA LYS A 10 -10.711 14.008 0.933 1.00 0.00 C ATOM 96 C LYS A 10 -11.214 12.601 1.241 1.00 0.00 C ATOM 97 O LYS A 10 -10.947 12.057 2.313 1.00 0.00 O ATOM 98 CB LYS A 10 -9.557 13.940 -0.070 1.00 0.00 C ATOM 99 CG LYS A 10 -8.491 12.923 0.298 1.00 0.00 C ATOM 100 CD LYS A 10 -7.417 13.534 1.183 1.00 0.00 C ATOM 101 CE LYS A 10 -6.423 14.350 0.370 1.00 0.00 C ATOM 102 NZ LYS A 10 -5.678 15.321 1.218 1.00 0.00 N ATOM 0 H LYS A 10 -9.420 15.221 2.054 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.530 14.580 0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.956 13.696 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.096 14.925 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.953 12.081 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.034 12.529 -0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.883 14.170 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.890 12.743 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.717 13.679 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.952 14.887 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.011 15.857 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.349 15.977 1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.153 14.807 1.954 1.00 0.00 H new ATOM 116 N TYR A 11 -11.941 12.018 0.295 1.00 0.00 N ATOM 117 CA TYR A 11 -12.482 10.675 0.467 1.00 0.00 C ATOM 118 C TYR A 11 -11.436 9.618 0.123 1.00 0.00 C ATOM 119 O TYR A 11 -11.122 8.749 0.937 1.00 0.00 O ATOM 120 CB TYR A 11 -13.721 10.485 -0.410 1.00 0.00 C ATOM 121 CG TYR A 11 -14.722 11.612 -0.294 1.00 0.00 C ATOM 122 CD1 TYR A 11 -14.566 12.784 -1.024 1.00 0.00 C ATOM 123 CD2 TYR A 11 -15.825 11.505 0.544 1.00 0.00 C ATOM 124 CE1 TYR A 11 -15.478 13.817 -0.921 1.00 0.00 C ATOM 125 CE2 TYR A 11 -16.743 12.532 0.652 1.00 0.00 C ATOM 126 CZ TYR A 11 -16.565 13.686 -0.082 1.00 0.00 C ATOM 127 OH TYR A 11 -17.476 14.712 0.022 1.00 0.00 O ATOM 0 H TYR A 11 -12.169 12.454 -0.598 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.763 10.556 1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -13.409 10.393 -1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -14.208 9.548 -0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -13.717 12.889 -1.683 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.967 10.603 1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.340 14.722 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -17.595 12.432 1.308 1.00 0.00 H new ATOM 0 HH TYR A 11 -18.182 14.460 0.653 1.00 0.00 H new ATOM 137 N LYS A 12 -10.898 9.700 -1.089 1.00 0.00 N ATOM 138 CA LYS A 12 -9.886 8.754 -1.543 1.00 0.00 C ATOM 139 C LYS A 12 -8.927 8.399 -0.411 1.00 0.00 C ATOM 140 O LYS A 12 -8.077 9.204 -0.030 1.00 0.00 O ATOM 141 CB LYS A 12 -9.105 9.338 -2.723 1.00 0.00 C ATOM 142 CG LYS A 12 -8.054 8.396 -3.282 1.00 0.00 C ATOM 143 CD LYS A 12 -7.694 8.749 -4.716 1.00 0.00 C ATOM 144 CE LYS A 12 -7.144 7.546 -5.466 1.00 0.00 C ATOM 145 NZ LYS A 12 -8.231 6.654 -5.957 1.00 0.00 N ATOM 0 H LYS A 12 -11.146 10.413 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.393 7.844 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.805 9.601 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.621 10.262 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.159 8.438 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.424 7.371 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.577 9.127 -5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.955 9.550 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.545 7.887 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.480 6.982 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.815 5.846 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.787 6.308 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.851 7.185 -6.602 1.00 0.00 H new ATOM 159 N GLU A 13 -9.068 7.189 0.121 1.00 0.00 N ATOM 160 CA GLU A 13 -8.213 6.728 1.208 1.00 0.00 C ATOM 161 C GLU A 13 -8.374 5.227 1.429 1.00 0.00 C ATOM 162 O GLU A 13 -9.390 4.640 1.056 1.00 0.00 O ATOM 163 CB GLU A 13 -8.541 7.483 2.499 1.00 0.00 C ATOM 164 CG GLU A 13 -7.357 7.617 3.442 1.00 0.00 C ATOM 165 CD GLU A 13 -7.706 8.373 4.710 1.00 0.00 C ATOM 166 OE1 GLU A 13 -8.789 8.114 5.276 1.00 0.00 O ATOM 167 OE2 GLU A 13 -6.896 9.222 5.137 1.00 0.00 O ATOM 0 H GLU A 13 -9.766 6.511 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.178 6.927 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.907 8.478 2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.350 6.967 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.991 6.624 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.544 8.131 2.929 1.00 0.00 H new ATOM 174 N ARG A 14 -7.365 4.613 2.037 1.00 0.00 N ATOM 175 CA ARG A 14 -7.393 3.180 2.306 1.00 0.00 C ATOM 176 C ARG A 14 -8.151 2.884 3.597 1.00 0.00 C ATOM 177 O ARG A 14 -8.612 3.797 4.281 1.00 0.00 O ATOM 178 CB ARG A 14 -5.969 2.629 2.400 1.00 0.00 C ATOM 179 CG ARG A 14 -5.236 2.605 1.069 1.00 0.00 C ATOM 180 CD ARG A 14 -5.717 1.462 0.189 1.00 0.00 C ATOM 181 NE ARG A 14 -5.096 1.490 -1.133 1.00 0.00 N ATOM 182 CZ ARG A 14 -5.512 2.271 -2.123 1.00 0.00 C ATOM 183 NH1 ARG A 14 -6.543 3.085 -1.943 1.00 0.00 N ATOM 184 NH2 ARG A 14 -4.895 2.241 -3.298 1.00 0.00 N ATOM 0 H ARG A 14 -6.518 5.085 2.353 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.911 2.691 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.401 3.233 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.006 1.617 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.387 3.552 0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.165 2.505 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.493 0.512 0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.800 1.518 0.082 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.300 0.876 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.020 3.113 -1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.860 3.683 -2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.100 1.618 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.215 2.841 -4.058 1.00 0.00 H new ATOM 198 N ALA A 15 -8.276 1.602 3.923 1.00 0.00 N ATOM 199 CA ALA A 15 -8.976 1.185 5.132 1.00 0.00 C ATOM 200 C ALA A 15 -8.031 1.146 6.328 1.00 0.00 C ATOM 201 O ALA A 15 -6.809 1.132 6.183 1.00 0.00 O ATOM 202 CB ALA A 15 -9.625 -0.175 4.924 1.00 0.00 C ATOM 0 H ALA A 15 -7.901 0.834 3.367 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.755 1.918 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.144 -0.474 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.339 -0.116 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.858 -0.912 4.685 1.00 0.00 H new ATOM 208 N PRO A 16 -8.608 1.128 7.538 1.00 0.00 N ATOM 209 CA PRO A 16 -7.835 1.090 8.783 1.00 0.00 C ATOM 210 C PRO A 16 -7.133 -0.248 8.989 1.00 0.00 C ATOM 211 O PRO A 16 -6.061 -0.311 9.590 1.00 0.00 O ATOM 212 CB PRO A 16 -8.894 1.311 9.866 1.00 0.00 C ATOM 213 CG PRO A 16 -10.166 0.835 9.254 1.00 0.00 C ATOM 214 CD PRO A 16 -10.060 1.142 7.785 1.00 0.00 C ATOM 0 HA PRO A 16 -7.038 1.833 8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.657 0.752 10.771 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.959 2.362 10.148 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.303 -0.233 9.420 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.025 1.339 9.697 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.578 0.397 7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.499 2.110 7.544 1.00 0.00 H new ATOM 222 N GLU A 17 -7.745 -1.316 8.486 1.00 0.00 N ATOM 223 CA GLU A 17 -7.178 -2.653 8.617 1.00 0.00 C ATOM 224 C GLU A 17 -6.032 -2.856 7.630 1.00 0.00 C ATOM 225 O GLU A 17 -4.957 -3.326 8.000 1.00 0.00 O ATOM 226 CB GLU A 17 -8.257 -3.713 8.388 1.00 0.00 C ATOM 227 CG GLU A 17 -9.245 -3.834 9.536 1.00 0.00 C ATOM 228 CD GLU A 17 -8.741 -4.736 10.646 1.00 0.00 C ATOM 229 OE1 GLU A 17 -8.639 -5.959 10.415 1.00 0.00 O ATOM 230 OE2 GLU A 17 -8.450 -4.219 11.745 1.00 0.00 O ATOM 0 H GLU A 17 -8.633 -1.281 7.985 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.786 -2.757 9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.802 -3.473 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.778 -4.679 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.448 -2.843 9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.190 -4.223 9.158 1.00 0.00 H new ATOM 237 N GLN A 18 -6.272 -2.499 6.372 1.00 0.00 N ATOM 238 CA GLN A 18 -5.260 -2.643 5.332 1.00 0.00 C ATOM 239 C GLN A 18 -4.028 -1.803 5.650 1.00 0.00 C ATOM 240 O GLN A 18 -2.911 -2.320 5.713 1.00 0.00 O ATOM 241 CB GLN A 18 -5.834 -2.235 3.974 1.00 0.00 C ATOM 242 CG GLN A 18 -7.093 -2.995 3.591 1.00 0.00 C ATOM 243 CD GLN A 18 -7.651 -2.563 2.249 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.555 -1.730 2.179 1.00 0.00 O ATOM 245 NE2 GLN A 18 -7.113 -3.128 1.175 1.00 0.00 N ATOM 0 H GLN A 18 -7.157 -2.109 6.049 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.961 -3.691 5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.054 -1.168 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.076 -2.394 3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.874 -4.062 3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.851 -2.846 4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.365 -3.814 1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.447 -2.876 0.245 1.00 0.00 H new ATOM 254 N LEU A 19 -4.237 -0.507 5.850 1.00 0.00 N ATOM 255 CA LEU A 19 -3.142 0.406 6.162 1.00 0.00 C ATOM 256 C LEU A 19 -2.277 -0.147 7.290 1.00 0.00 C ATOM 257 O LEU A 19 -1.064 -0.293 7.140 1.00 0.00 O ATOM 258 CB LEU A 19 -3.692 1.779 6.551 1.00 0.00 C ATOM 259 CG LEU A 19 -3.995 2.733 5.396 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.399 4.101 5.924 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.792 2.851 4.472 1.00 0.00 C ATOM 0 H LEU A 19 -5.154 -0.064 5.802 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.522 0.509 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.607 1.632 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.974 2.261 7.215 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.829 2.326 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.611 4.766 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.290 4.003 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.586 4.516 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.026 3.534 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.939 3.234 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.548 1.870 4.065 1.00 0.00 H new ATOM 273 N ARG A 20 -2.910 -0.454 8.418 1.00 0.00 N ATOM 274 CA ARG A 20 -2.198 -0.992 9.571 1.00 0.00 C ATOM 275 C ARG A 20 -1.108 -1.966 9.131 1.00 0.00 C ATOM 276 O ARG A 20 -0.008 -1.970 9.682 1.00 0.00 O ATOM 277 CB ARG A 20 -3.174 -1.695 10.517 1.00 0.00 C ATOM 278 CG ARG A 20 -2.504 -2.313 11.733 1.00 0.00 C ATOM 279 CD ARG A 20 -3.524 -2.928 12.678 1.00 0.00 C ATOM 280 NE ARG A 20 -4.517 -1.953 13.121 1.00 0.00 N ATOM 281 CZ ARG A 20 -4.246 -0.954 13.954 1.00 0.00 C ATOM 282 NH1 ARG A 20 -3.019 -0.799 14.431 1.00 0.00 N ATOM 283 NH2 ARG A 20 -5.204 -0.108 14.311 1.00 0.00 N ATOM 0 H ARG A 20 -3.914 -0.339 8.558 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.728 -0.161 10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.924 -0.978 10.851 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.701 -2.475 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.797 -3.078 11.411 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.931 -1.551 12.261 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.027 -3.757 12.179 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.011 -3.342 13.546 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.471 -2.044 12.772 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.280 -1.447 14.159 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.814 -0.031 15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.149 -0.224 13.946 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.995 0.659 14.951 1.00 0.00 H new ATOM 297 N ALA A 21 -1.423 -2.789 8.137 1.00 0.00 N ATOM 298 CA ALA A 21 -0.471 -3.765 7.622 1.00 0.00 C ATOM 299 C ALA A 21 0.564 -3.101 6.722 1.00 0.00 C ATOM 300 O ALA A 21 1.738 -3.474 6.726 1.00 0.00 O ATOM 301 CB ALA A 21 -1.200 -4.867 6.868 1.00 0.00 C ATOM 0 H ALA A 21 -2.331 -2.799 7.672 1.00 0.00 H new ATOM 0 HA ALA A 21 0.053 -4.206 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.476 -5.589 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.895 -5.369 7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.751 -4.434 6.034 1.00 0.00 H new ATOM 307 N LEU A 22 0.123 -2.114 5.949 1.00 0.00 N ATOM 308 CA LEU A 22 1.012 -1.397 5.041 1.00 0.00 C ATOM 309 C LEU A 22 1.917 -0.440 5.809 1.00 0.00 C ATOM 310 O LEU A 22 3.132 -0.630 5.865 1.00 0.00 O ATOM 311 CB LEU A 22 0.197 -0.625 4.002 1.00 0.00 C ATOM 312 CG LEU A 22 -0.717 -1.463 3.108 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.879 -0.624 2.597 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.068 -2.053 1.946 1.00 0.00 C ATOM 0 H LEU A 22 -0.845 -1.792 5.933 1.00 0.00 H new ATOM 0 HA LEU A 22 1.638 -2.129 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.414 0.112 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.888 -0.073 3.365 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.121 -2.283 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.519 -1.237 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.457 -0.250 3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.494 0.217 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.599 -2.646 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.501 -1.247 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.865 -2.689 2.331 1.00 0.00 H new ATOM 326 N GLU A 23 1.317 0.589 6.400 1.00 0.00 N ATOM 327 CA GLU A 23 2.070 1.575 7.166 1.00 0.00 C ATOM 328 C GLU A 23 3.179 0.906 7.973 1.00 0.00 C ATOM 329 O GLU A 23 4.330 1.340 7.944 1.00 0.00 O ATOM 330 CB GLU A 23 1.137 2.347 8.102 1.00 0.00 C ATOM 331 CG GLU A 23 0.198 3.296 7.377 1.00 0.00 C ATOM 332 CD GLU A 23 -0.582 4.183 8.328 1.00 0.00 C ATOM 333 OE1 GLU A 23 -0.032 4.540 9.392 1.00 0.00 O ATOM 334 OE2 GLU A 23 -1.741 4.521 8.010 1.00 0.00 O ATOM 0 H GLU A 23 0.312 0.761 6.363 1.00 0.00 H new ATOM 0 HA GLU A 23 2.526 2.272 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.547 1.636 8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.737 2.915 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.774 3.920 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.499 2.718 6.770 1.00 0.00 H new ATOM 341 N SER A 24 2.822 -0.153 8.692 1.00 0.00 N ATOM 342 CA SER A 24 3.785 -0.880 9.511 1.00 0.00 C ATOM 343 C SER A 24 4.921 -1.430 8.654 1.00 0.00 C ATOM 344 O SER A 24 6.073 -1.477 9.086 1.00 0.00 O ATOM 345 CB SER A 24 3.093 -2.023 10.256 1.00 0.00 C ATOM 346 OG SER A 24 3.915 -2.527 11.295 1.00 0.00 O ATOM 0 H SER A 24 1.873 -0.527 8.724 1.00 0.00 H new ATOM 0 HA SER A 24 4.205 -0.185 10.238 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.150 -1.671 10.673 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.853 -2.824 9.557 1.00 0.00 H new ATOM 0 HG SER A 24 3.449 -3.255 11.756 1.00 0.00 H new ATOM 352 N SER A 25 4.588 -1.847 7.437 1.00 0.00 N ATOM 353 CA SER A 25 5.578 -2.397 6.519 1.00 0.00 C ATOM 354 C SER A 25 6.456 -1.292 5.940 1.00 0.00 C ATOM 355 O SER A 25 7.677 -1.430 5.863 1.00 0.00 O ATOM 356 CB SER A 25 4.887 -3.161 5.388 1.00 0.00 C ATOM 357 OG SER A 25 5.829 -3.868 4.599 1.00 0.00 O ATOM 0 H SER A 25 3.639 -1.814 7.064 1.00 0.00 H new ATOM 0 HA SER A 25 6.212 -3.085 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.162 -3.859 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.332 -2.464 4.760 1.00 0.00 H new ATOM 0 HG SER A 25 5.840 -4.810 4.869 1.00 0.00 H new ATOM 363 N PHE A 26 5.824 -0.196 5.532 1.00 0.00 N ATOM 364 CA PHE A 26 6.546 0.933 4.958 1.00 0.00 C ATOM 365 C PHE A 26 7.788 1.260 5.783 1.00 0.00 C ATOM 366 O PHE A 26 8.863 1.504 5.235 1.00 0.00 O ATOM 367 CB PHE A 26 5.636 2.160 4.878 1.00 0.00 C ATOM 368 CG PHE A 26 6.229 3.296 4.095 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.683 3.100 2.800 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.332 4.560 4.653 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.229 4.144 2.078 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.877 5.608 3.935 1.00 0.00 C ATOM 373 CZ PHE A 26 7.325 5.400 2.645 1.00 0.00 C ATOM 0 H PHE A 26 4.814 -0.066 5.588 1.00 0.00 H new ATOM 0 HA PHE A 26 6.861 0.657 3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.689 1.871 4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.412 2.503 5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.609 2.121 2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.982 4.728 5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.581 3.978 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.952 6.588 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.749 6.217 2.081 1.00 0.00 H new ATOM 383 N ALA A 27 7.631 1.265 7.102 1.00 0.00 N ATOM 384 CA ALA A 27 8.739 1.560 8.003 1.00 0.00 C ATOM 385 C ALA A 27 9.979 0.757 7.629 1.00 0.00 C ATOM 386 O ALA A 27 11.066 1.313 7.475 1.00 0.00 O ATOM 387 CB ALA A 27 8.338 1.277 9.443 1.00 0.00 C ATOM 0 H ALA A 27 6.747 1.068 7.571 1.00 0.00 H new ATOM 0 HA ALA A 27 8.981 2.618 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.175 1.502 10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.485 1.900 9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.067 0.226 9.545 1.00 0.00 H new ATOM 393 N GLN A 28 9.809 -0.554 7.485 1.00 0.00 N ATOM 394 CA GLN A 28 10.917 -1.433 7.130 1.00 0.00 C ATOM 395 C GLN A 28 11.529 -1.026 5.794 1.00 0.00 C ATOM 396 O GLN A 28 12.746 -0.905 5.669 1.00 0.00 O ATOM 397 CB GLN A 28 10.442 -2.886 7.066 1.00 0.00 C ATOM 398 CG GLN A 28 9.904 -3.409 8.388 1.00 0.00 C ATOM 399 CD GLN A 28 10.993 -3.602 9.426 1.00 0.00 C ATOM 400 OE1 GLN A 28 12.088 -4.070 9.113 1.00 0.00 O ATOM 401 NE2 GLN A 28 10.697 -3.241 10.669 1.00 0.00 N ATOM 0 H GLN A 28 8.915 -1.030 7.609 1.00 0.00 H new ATOM 0 HA GLN A 28 11.682 -1.342 7.901 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.664 -2.972 6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.271 -3.517 6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.159 -2.713 8.774 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.396 -4.358 8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.776 -2.857 10.883 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.390 -3.347 11.410 1.00 0.00 H new ATOM 410 N ASN A 29 10.675 -0.817 4.797 1.00 0.00 N ATOM 411 CA ASN A 29 11.132 -0.425 3.469 1.00 0.00 C ATOM 412 C ASN A 29 9.981 0.142 2.643 1.00 0.00 C ATOM 413 O ASN A 29 8.841 -0.316 2.724 1.00 0.00 O ATOM 414 CB ASN A 29 11.752 -1.622 2.745 1.00 0.00 C ATOM 415 CG ASN A 29 10.710 -2.627 2.293 1.00 0.00 C ATOM 416 OD1 ASN A 29 9.827 -2.307 1.497 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.809 -3.851 2.799 1.00 0.00 N ATOM 0 H ASN A 29 9.663 -0.913 4.884 1.00 0.00 H new ATOM 0 HA ASN A 29 11.888 0.351 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.312 -1.269 1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.465 -2.114 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.137 -4.570 2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.557 -4.072 3.456 1.00 0.00 H new ATOM 424 N PRO A 30 10.285 1.162 1.827 1.00 0.00 N ATOM 425 CA PRO A 30 9.290 1.813 0.969 1.00 0.00 C ATOM 426 C PRO A 30 8.829 0.912 -0.170 1.00 0.00 C ATOM 427 O PRO A 30 7.702 1.033 -0.655 1.00 0.00 O ATOM 428 CB PRO A 30 10.038 3.030 0.419 1.00 0.00 C ATOM 429 CG PRO A 30 11.477 2.648 0.475 1.00 0.00 C ATOM 430 CD PRO A 30 11.623 1.759 1.679 1.00 0.00 C ATOM 0 HA PRO A 30 8.382 2.065 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.728 3.257 -0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.841 3.919 1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.778 2.127 -0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.112 3.530 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.388 0.998 1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.910 2.326 2.565 1.00 0.00 H new ATOM 438 N LEU A 31 9.704 0.008 -0.595 1.00 0.00 N ATOM 439 CA LEU A 31 9.386 -0.916 -1.678 1.00 0.00 C ATOM 440 C LEU A 31 9.701 -2.354 -1.278 1.00 0.00 C ATOM 441 O LEU A 31 10.770 -2.887 -1.577 1.00 0.00 O ATOM 442 CB LEU A 31 10.168 -0.542 -2.939 1.00 0.00 C ATOM 443 CG LEU A 31 9.658 0.676 -3.709 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.325 0.764 -5.073 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.144 0.619 -3.856 1.00 0.00 C ATOM 0 H LEU A 31 10.640 -0.105 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 31 8.318 -0.842 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.206 -0.361 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.165 -1.400 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 31 9.915 1.572 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.949 1.637 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.404 0.853 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.101 -0.135 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.799 1.494 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.865 -0.284 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.683 0.607 -2.868 1.00 0.00 H new ATOM 457 N PRO A 32 8.749 -2.998 -0.588 1.00 0.00 N ATOM 458 CA PRO A 32 8.900 -4.384 -0.135 1.00 0.00 C ATOM 459 C PRO A 32 8.872 -5.378 -1.290 1.00 0.00 C ATOM 460 O PRO A 32 8.018 -5.296 -2.173 1.00 0.00 O ATOM 461 CB PRO A 32 7.690 -4.592 0.780 1.00 0.00 C ATOM 462 CG PRO A 32 6.676 -3.615 0.294 1.00 0.00 C ATOM 463 CD PRO A 32 7.451 -2.424 -0.197 1.00 0.00 C ATOM 0 HA PRO A 32 9.858 -4.549 0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.317 -5.614 0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.947 -4.410 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.072 -4.044 -0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.991 -3.333 1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.955 -1.942 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.564 -1.669 0.581 1.00 0.00 H new ATOM 471 N LEU A 33 9.811 -6.318 -1.279 1.00 0.00 N ATOM 472 CA LEU A 33 9.894 -7.330 -2.327 1.00 0.00 C ATOM 473 C LEU A 33 8.626 -8.177 -2.367 1.00 0.00 C ATOM 474 O LEU A 33 7.727 -8.005 -1.544 1.00 0.00 O ATOM 475 CB LEU A 33 11.113 -8.226 -2.103 1.00 0.00 C ATOM 476 CG LEU A 33 12.453 -7.508 -1.939 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.507 -8.461 -1.398 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.903 -6.910 -3.264 1.00 0.00 C ATOM 0 H LEU A 33 10.526 -6.401 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 33 9.998 -6.819 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.936 -8.830 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.193 -8.914 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 33 12.323 -6.697 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.454 -7.932 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.189 -8.842 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.635 -9.293 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.858 -6.403 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.015 -7.704 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.158 -6.194 -3.612 1.00 0.00 H new ATOM 490 N ASP A 34 8.563 -9.092 -3.328 1.00 0.00 N ATOM 491 CA ASP A 34 7.407 -9.969 -3.473 1.00 0.00 C ATOM 492 C ASP A 34 7.166 -10.767 -2.196 1.00 0.00 C ATOM 493 O ASP A 34 6.025 -10.950 -1.774 1.00 0.00 O ATOM 494 CB ASP A 34 7.607 -10.920 -4.654 1.00 0.00 C ATOM 495 CG ASP A 34 6.771 -12.179 -4.531 1.00 0.00 C ATOM 496 OD1 ASP A 34 5.590 -12.149 -4.935 1.00 0.00 O ATOM 497 OD2 ASP A 34 7.299 -13.195 -4.032 1.00 0.00 O ATOM 0 H ASP A 34 9.298 -9.246 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 34 6.532 -9.347 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.349 -10.405 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.660 -11.192 -4.724 1.00 0.00 H new ATOM 502 N GLU A 35 8.248 -11.240 -1.587 1.00 0.00 N ATOM 503 CA GLU A 35 8.153 -12.021 -0.358 1.00 0.00 C ATOM 504 C GLU A 35 7.502 -11.206 0.755 1.00 0.00 C ATOM 505 O GLU A 35 6.613 -11.691 1.454 1.00 0.00 O ATOM 506 CB GLU A 35 9.541 -12.489 0.083 1.00 0.00 C ATOM 507 CG GLU A 35 10.514 -11.351 0.341 1.00 0.00 C ATOM 508 CD GLU A 35 11.855 -11.836 0.858 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.149 -13.040 0.704 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.610 -11.012 1.415 1.00 0.00 O ATOM 0 H GLU A 35 9.200 -11.097 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 35 7.530 -12.893 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.443 -13.085 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.955 -13.143 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.665 -10.791 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.078 -10.662 1.064 1.00 0.00 H new ATOM 517 N GLU A 36 7.951 -9.964 0.912 1.00 0.00 N ATOM 518 CA GLU A 36 7.412 -9.083 1.941 1.00 0.00 C ATOM 519 C GLU A 36 6.005 -8.618 1.578 1.00 0.00 C ATOM 520 O GLU A 36 5.244 -8.173 2.438 1.00 0.00 O ATOM 521 CB GLU A 36 8.327 -7.872 2.136 1.00 0.00 C ATOM 522 CG GLU A 36 7.929 -6.991 3.309 1.00 0.00 C ATOM 523 CD GLU A 36 8.433 -7.523 4.636 1.00 0.00 C ATOM 524 OE1 GLU A 36 9.605 -7.259 4.975 1.00 0.00 O ATOM 525 OE2 GLU A 36 7.654 -8.205 5.335 1.00 0.00 O ATOM 0 H GLU A 36 8.685 -9.546 0.341 1.00 0.00 H new ATOM 0 HA GLU A 36 7.360 -9.645 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.349 -8.220 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.323 -7.273 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.320 -5.986 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.843 -6.908 3.344 1.00 0.00 H new ATOM 532 N LEU A 37 5.666 -8.724 0.298 1.00 0.00 N ATOM 533 CA LEU A 37 4.350 -8.314 -0.182 1.00 0.00 C ATOM 534 C LEU A 37 3.346 -9.456 -0.060 1.00 0.00 C ATOM 535 O LEU A 37 2.169 -9.234 0.223 1.00 0.00 O ATOM 536 CB LEU A 37 4.438 -7.850 -1.637 1.00 0.00 C ATOM 537 CG LEU A 37 4.846 -6.393 -1.853 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.240 -6.158 -3.303 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.716 -5.457 -1.448 1.00 0.00 C ATOM 0 H LEU A 37 6.284 -9.090 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 37 4.006 -7.485 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.152 -8.487 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.467 -8.008 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 37 5.710 -6.181 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.527 -5.115 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.081 -6.802 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.395 -6.388 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.024 -4.424 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.833 -5.670 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.480 -5.606 -0.394 1.00 0.00 H new ATOM 551 N ASP A 38 3.821 -10.679 -0.273 1.00 0.00 N ATOM 552 CA ASP A 38 2.965 -11.857 -0.183 1.00 0.00 C ATOM 553 C ASP A 38 2.338 -11.969 1.203 1.00 0.00 C ATOM 554 O ASP A 38 1.234 -12.493 1.355 1.00 0.00 O ATOM 555 CB ASP A 38 3.767 -13.121 -0.498 1.00 0.00 C ATOM 556 CG ASP A 38 2.878 -14.309 -0.807 1.00 0.00 C ATOM 557 OD1 ASP A 38 1.925 -14.147 -1.598 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.136 -15.401 -0.260 1.00 0.00 O ATOM 0 H ASP A 38 4.793 -10.880 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 38 2.165 -11.752 -0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.422 -12.930 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.408 -13.362 0.350 1.00 0.00 H new ATOM 563 N ARG A 39 3.050 -11.475 2.211 1.00 0.00 N ATOM 564 CA ARG A 39 2.564 -11.522 3.584 1.00 0.00 C ATOM 565 C ARG A 39 1.538 -10.421 3.836 1.00 0.00 C ATOM 566 O ARG A 39 0.517 -10.646 4.487 1.00 0.00 O ATOM 567 CB ARG A 39 3.729 -11.382 4.565 1.00 0.00 C ATOM 568 CG ARG A 39 4.397 -12.703 4.911 1.00 0.00 C ATOM 569 CD ARG A 39 5.813 -12.494 5.425 1.00 0.00 C ATOM 570 NE ARG A 39 6.510 -13.759 5.636 1.00 0.00 N ATOM 571 CZ ARG A 39 7.622 -13.875 6.355 1.00 0.00 C ATOM 572 NH1 ARG A 39 8.158 -12.807 6.929 1.00 0.00 N ATOM 573 NH2 ARG A 39 8.198 -15.061 6.501 1.00 0.00 N ATOM 0 H ARG A 39 3.965 -11.038 2.102 1.00 0.00 H new ATOM 0 HA ARG A 39 2.081 -12.487 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.473 -10.709 4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.367 -10.917 5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.808 -13.223 5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.420 -13.342 4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.371 -11.887 4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.780 -11.937 6.362 1.00 0.00 H new ATOM 0 HE ARG A 39 6.123 -14.600 5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.717 -11.894 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.011 -12.898 7.480 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.788 -15.885 6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.051 -15.149 7.053 1.00 0.00 H new ATOM 587 N LEU A 40 1.816 -9.231 3.317 1.00 0.00 N ATOM 588 CA LEU A 40 0.918 -8.094 3.485 1.00 0.00 C ATOM 589 C LEU A 40 -0.419 -8.349 2.796 1.00 0.00 C ATOM 590 O LEU A 40 -1.476 -8.003 3.324 1.00 0.00 O ATOM 591 CB LEU A 40 1.559 -6.824 2.923 1.00 0.00 C ATOM 592 CG LEU A 40 2.807 -6.323 3.652 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.532 -5.281 2.815 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.437 -5.753 5.013 1.00 0.00 C ATOM 0 H LEU A 40 2.656 -9.028 2.776 1.00 0.00 H new ATOM 0 HA LEU A 40 0.737 -7.961 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.819 -7.003 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.813 -6.029 2.933 1.00 0.00 H new ATOM 0 HG LEU A 40 3.479 -7.168 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.417 -4.936 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.831 -5.722 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.868 -4.437 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.337 -5.402 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.745 -4.921 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.963 -6.528 5.615 1.00 0.00 H new ATOM 606 N ARG A 41 -0.364 -8.958 1.617 1.00 0.00 N ATOM 607 CA ARG A 41 -1.570 -9.261 0.856 1.00 0.00 C ATOM 608 C ARG A 41 -2.607 -9.955 1.735 1.00 0.00 C ATOM 609 O ARG A 41 -3.811 -9.831 1.508 1.00 0.00 O ATOM 610 CB ARG A 41 -1.233 -10.145 -0.346 1.00 0.00 C ATOM 611 CG ARG A 41 -0.699 -9.370 -1.540 1.00 0.00 C ATOM 612 CD ARG A 41 -0.646 -10.237 -2.788 1.00 0.00 C ATOM 613 NE ARG A 41 -1.705 -11.243 -2.801 1.00 0.00 N ATOM 614 CZ ARG A 41 -1.603 -12.425 -2.204 1.00 0.00 C ATOM 615 NH1 ARG A 41 -0.496 -12.747 -1.549 1.00 0.00 N ATOM 616 NH2 ARG A 41 -2.610 -13.287 -2.260 1.00 0.00 N ATOM 0 H ARG A 41 0.503 -9.252 1.167 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.990 -8.320 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.494 -10.887 -0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.127 -10.690 -0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.332 -8.502 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.299 -8.994 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.735 -9.606 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.324 -10.731 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.570 -11.026 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.280 -12.086 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.420 -13.655 -1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.464 -13.042 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.531 -14.195 -1.801 1.00 0.00 H new ATOM 630 N SER A 42 -2.132 -10.685 2.738 1.00 0.00 N ATOM 631 CA SER A 42 -3.017 -11.402 3.649 1.00 0.00 C ATOM 632 C SER A 42 -3.817 -10.428 4.508 1.00 0.00 C ATOM 633 O SER A 42 -4.973 -10.684 4.841 1.00 0.00 O ATOM 634 CB SER A 42 -2.209 -12.345 4.543 1.00 0.00 C ATOM 635 OG SER A 42 -3.062 -13.148 5.340 1.00 0.00 O ATOM 0 H SER A 42 -1.139 -10.796 2.941 1.00 0.00 H new ATOM 0 HA SER A 42 -3.714 -11.989 3.052 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.576 -12.983 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.547 -11.764 5.185 1.00 0.00 H new ATOM 0 HG SER A 42 -2.521 -13.743 5.901 1.00 0.00 H new ATOM 641 N GLU A 43 -3.190 -9.311 4.864 1.00 0.00 N ATOM 642 CA GLU A 43 -3.843 -8.299 5.686 1.00 0.00 C ATOM 643 C GLU A 43 -4.568 -7.276 4.815 1.00 0.00 C ATOM 644 O GLU A 43 -5.751 -6.998 5.018 1.00 0.00 O ATOM 645 CB GLU A 43 -2.817 -7.592 6.574 1.00 0.00 C ATOM 646 CG GLU A 43 -1.993 -8.542 7.427 1.00 0.00 C ATOM 647 CD GLU A 43 -1.523 -7.906 8.721 1.00 0.00 C ATOM 648 OE1 GLU A 43 -2.286 -7.940 9.709 1.00 0.00 O ATOM 649 OE2 GLU A 43 -0.393 -7.375 8.745 1.00 0.00 O ATOM 0 H GLU A 43 -2.232 -9.084 4.596 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.577 -8.799 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.146 -7.007 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.336 -6.889 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.587 -9.427 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.127 -8.878 6.857 1.00 0.00 H new ATOM 656 N THR A 44 -3.851 -6.718 3.845 1.00 0.00 N ATOM 657 CA THR A 44 -4.424 -5.726 2.945 1.00 0.00 C ATOM 658 C THR A 44 -5.452 -6.357 2.013 1.00 0.00 C ATOM 659 O THR A 44 -6.323 -5.672 1.477 1.00 0.00 O ATOM 660 CB THR A 44 -3.335 -5.039 2.099 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.587 -6.021 1.373 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.396 -4.229 2.981 1.00 0.00 C ATOM 0 H THR A 44 -2.872 -6.937 3.663 1.00 0.00 H new ATOM 0 HA THR A 44 -4.914 -4.979 3.570 1.00 0.00 H new ATOM 0 HB THR A 44 -3.823 -4.363 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.098 -6.591 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.635 -3.753 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.964 -3.464 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.915 -4.889 3.703 1.00 0.00 H new ATOM 670 N LYS A 45 -5.345 -7.668 1.823 1.00 0.00 N ATOM 671 CA LYS A 45 -6.267 -8.394 0.957 1.00 0.00 C ATOM 672 C LYS A 45 -6.263 -7.810 -0.452 1.00 0.00 C ATOM 673 O LYS A 45 -7.293 -7.784 -1.125 1.00 0.00 O ATOM 674 CB LYS A 45 -7.683 -8.351 1.535 1.00 0.00 C ATOM 675 CG LYS A 45 -7.918 -9.359 2.646 1.00 0.00 C ATOM 676 CD LYS A 45 -7.450 -8.827 3.990 1.00 0.00 C ATOM 677 CE LYS A 45 -8.221 -9.458 5.139 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.255 -8.574 6.337 1.00 0.00 N ATOM 0 H LYS A 45 -4.629 -8.250 2.257 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.935 -9.431 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.880 -7.349 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.399 -8.533 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.979 -9.602 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.390 -10.285 2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.386 -9.028 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.575 -7.745 4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.240 -9.673 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.763 -10.411 5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.135 -9.148 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.485 -7.877 6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.168 -8.078 6.377 1.00 0.00 H new ATOM 692 N MET A 46 -5.099 -7.344 -0.891 1.00 0.00 N ATOM 693 CA MET A 46 -4.962 -6.763 -2.222 1.00 0.00 C ATOM 694 C MET A 46 -3.944 -7.538 -3.052 1.00 0.00 C ATOM 695 O MET A 46 -3.371 -8.525 -2.588 1.00 0.00 O ATOM 696 CB MET A 46 -4.543 -5.295 -2.120 1.00 0.00 C ATOM 697 CG MET A 46 -5.486 -4.451 -1.278 1.00 0.00 C ATOM 698 SD MET A 46 -5.390 -2.695 -1.677 1.00 0.00 S ATOM 699 CE MET A 46 -3.696 -2.337 -1.221 1.00 0.00 C ATOM 0 H MET A 46 -4.237 -7.357 -0.345 1.00 0.00 H new ATOM 0 HA MET A 46 -5.930 -6.824 -2.719 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.541 -5.240 -1.694 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.487 -4.871 -3.123 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.509 -4.798 -1.426 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.251 -4.593 -0.223 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.571 -1.261 -1.102 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.459 -2.836 -0.281 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.025 -2.696 -2.002 1.00 0.00 H new ATOM 709 N THR A 47 -3.722 -7.086 -4.282 1.00 0.00 N ATOM 710 CA THR A 47 -2.774 -7.738 -5.176 1.00 0.00 C ATOM 711 C THR A 47 -1.484 -6.933 -5.292 1.00 0.00 C ATOM 712 O THR A 47 -1.455 -5.742 -4.982 1.00 0.00 O ATOM 713 CB THR A 47 -3.371 -7.934 -6.582 1.00 0.00 C ATOM 714 OG1 THR A 47 -4.037 -6.738 -7.003 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.351 -9.097 -6.596 1.00 0.00 C ATOM 0 H THR A 47 -4.186 -6.270 -4.682 1.00 0.00 H new ATOM 0 HA THR A 47 -2.553 -8.714 -4.744 1.00 0.00 H new ATOM 0 HB THR A 47 -2.556 -8.157 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.412 -6.870 -7.899 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.760 -9.216 -7.599 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.835 -10.011 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.162 -8.898 -5.895 1.00 0.00 H new ATOM 723 N ARG A 48 -0.420 -7.590 -5.742 1.00 0.00 N ATOM 724 CA ARG A 48 0.873 -6.934 -5.898 1.00 0.00 C ATOM 725 C ARG A 48 0.723 -5.606 -6.634 1.00 0.00 C ATOM 726 O ARG A 48 1.264 -4.585 -6.209 1.00 0.00 O ATOM 727 CB ARG A 48 1.841 -7.844 -6.657 1.00 0.00 C ATOM 728 CG ARG A 48 2.652 -8.758 -5.753 1.00 0.00 C ATOM 729 CD ARG A 48 1.758 -9.540 -4.804 1.00 0.00 C ATOM 730 NE ARG A 48 1.140 -10.690 -5.457 1.00 0.00 N ATOM 731 CZ ARG A 48 1.816 -11.763 -5.850 1.00 0.00 C ATOM 732 NH1 ARG A 48 3.126 -11.833 -5.657 1.00 0.00 N ATOM 733 NH2 ARG A 48 1.183 -12.771 -6.437 1.00 0.00 N ATOM 0 H ARG A 48 -0.428 -8.576 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 48 1.275 -6.735 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.276 -8.453 -7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.523 -7.227 -7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.233 -9.451 -6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.364 -8.165 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.345 -9.880 -3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.980 -8.883 -4.415 1.00 0.00 H new ATOM 0 HE ARG A 48 0.133 -10.668 -5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.617 -11.061 -5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.643 -12.659 -5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.175 -12.722 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.704 -13.594 -6.738 1.00 0.00 H new ATOM 747 N ARG A 49 -0.014 -5.628 -7.740 1.00 0.00 N ATOM 748 CA ARG A 49 -0.233 -4.426 -8.535 1.00 0.00 C ATOM 749 C ARG A 49 -0.944 -3.353 -7.716 1.00 0.00 C ATOM 750 O ARG A 49 -0.615 -2.171 -7.805 1.00 0.00 O ATOM 751 CB ARG A 49 -1.053 -4.757 -9.783 1.00 0.00 C ATOM 752 CG ARG A 49 -2.356 -5.480 -9.482 1.00 0.00 C ATOM 753 CD ARG A 49 -3.193 -5.666 -10.737 1.00 0.00 C ATOM 754 NE ARG A 49 -2.854 -6.899 -11.444 1.00 0.00 N ATOM 755 CZ ARG A 49 -1.854 -6.997 -12.312 1.00 0.00 C ATOM 756 NH1 ARG A 49 -1.098 -5.941 -12.580 1.00 0.00 N ATOM 757 NH2 ARG A 49 -1.608 -8.154 -12.915 1.00 0.00 N ATOM 0 H ARG A 49 -0.469 -6.465 -8.105 1.00 0.00 H new ATOM 0 HA ARG A 49 0.740 -4.040 -8.839 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.275 -3.833 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.451 -5.374 -10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.140 -6.453 -9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.925 -4.914 -8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.249 -5.681 -10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.044 -4.815 -11.401 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.416 -7.730 -11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.284 -5.050 -12.119 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.331 -6.019 -13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.187 -8.968 -12.712 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.840 -8.228 -13.582 1.00 0.00 H new ATOM 771 N GLU A 50 -1.922 -3.775 -6.920 1.00 0.00 N ATOM 772 CA GLU A 50 -2.680 -2.850 -6.086 1.00 0.00 C ATOM 773 C GLU A 50 -1.793 -2.239 -5.005 1.00 0.00 C ATOM 774 O GLU A 50 -1.682 -1.018 -4.895 1.00 0.00 O ATOM 775 CB GLU A 50 -3.869 -3.567 -5.441 1.00 0.00 C ATOM 776 CG GLU A 50 -4.991 -3.882 -6.416 1.00 0.00 C ATOM 777 CD GLU A 50 -5.976 -2.738 -6.561 1.00 0.00 C ATOM 778 OE1 GLU A 50 -6.368 -2.157 -5.528 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.354 -2.425 -7.709 1.00 0.00 O ATOM 0 H GLU A 50 -2.207 -4.751 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.051 -2.047 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.521 -4.495 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.262 -2.948 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.565 -4.115 -7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.521 -4.773 -6.079 1.00 0.00 H new ATOM 786 N ILE A 51 -1.164 -3.098 -4.209 1.00 0.00 N ATOM 787 CA ILE A 51 -0.287 -2.643 -3.138 1.00 0.00 C ATOM 788 C ILE A 51 0.866 -1.810 -3.687 1.00 0.00 C ATOM 789 O ILE A 51 1.119 -0.699 -3.222 1.00 0.00 O ATOM 790 CB ILE A 51 0.286 -3.828 -2.338 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.845 -4.630 -1.691 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.262 -3.332 -1.282 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.369 -5.865 -0.960 1.00 0.00 C ATOM 0 H ILE A 51 -1.246 -4.112 -4.286 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.893 -2.026 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 51 0.824 -4.483 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.381 -3.988 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.557 -4.926 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.658 -4.181 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.082 -2.801 -1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.746 -2.658 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.224 -6.384 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.141 -6.528 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.320 -5.575 -0.166 1.00 0.00 H new ATOM 805 N ASP A 52 1.561 -2.354 -4.680 1.00 0.00 N ATOM 806 CA ASP A 52 2.686 -1.661 -5.296 1.00 0.00 C ATOM 807 C ASP A 52 2.342 -0.199 -5.564 1.00 0.00 C ATOM 808 O ASP A 52 3.130 0.699 -5.268 1.00 0.00 O ATOM 809 CB ASP A 52 3.086 -2.351 -6.601 1.00 0.00 C ATOM 810 CG ASP A 52 4.438 -1.890 -7.109 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.464 -2.419 -6.630 1.00 0.00 O ATOM 812 OD2 ASP A 52 4.471 -1.002 -7.986 1.00 0.00 O ATOM 0 H ASP A 52 1.365 -3.273 -5.076 1.00 0.00 H new ATOM 0 HA ASP A 52 3.527 -1.697 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.108 -3.430 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.329 -2.153 -7.360 1.00 0.00 H new ATOM 817 N SER A 53 1.160 0.032 -6.127 1.00 0.00 N ATOM 818 CA SER A 53 0.714 1.385 -6.439 1.00 0.00 C ATOM 819 C SER A 53 0.645 2.240 -5.178 1.00 0.00 C ATOM 820 O SER A 53 0.986 3.423 -5.197 1.00 0.00 O ATOM 821 CB SER A 53 -0.656 1.348 -7.119 1.00 0.00 C ATOM 822 OG SER A 53 -1.233 2.641 -7.174 1.00 0.00 O ATOM 0 H SER A 53 0.494 -0.700 -6.376 1.00 0.00 H new ATOM 0 HA SER A 53 1.439 1.832 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.554 0.949 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.318 0.674 -6.575 1.00 0.00 H new ATOM 0 HG SER A 53 -2.107 2.591 -7.614 1.00 0.00 H new ATOM 828 N TRP A 54 0.203 1.632 -4.083 1.00 0.00 N ATOM 829 CA TRP A 54 0.090 2.337 -2.811 1.00 0.00 C ATOM 830 C TRP A 54 1.418 2.977 -2.422 1.00 0.00 C ATOM 831 O TRP A 54 1.513 4.196 -2.281 1.00 0.00 O ATOM 832 CB TRP A 54 -0.369 1.377 -1.712 1.00 0.00 C ATOM 833 CG TRP A 54 -0.528 2.037 -0.375 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.666 2.595 0.133 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.486 2.209 0.621 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.421 3.103 1.386 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.109 2.878 1.709 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.836 1.860 0.702 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.602 3.206 2.860 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.541 2.186 1.845 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.923 2.853 2.912 1.00 0.00 C ATOM 0 H TRP A 54 -0.083 0.653 -4.050 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.652 3.127 -2.927 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.319 0.930 -2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.352 0.564 -1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.618 2.632 -0.375 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.105 3.572 1.980 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.320 1.345 -0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.128 3.721 3.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.586 1.922 1.917 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.501 3.093 3.792 1.00 0.00 H new ATOM 852 N PHE A 55 2.442 2.147 -2.252 1.00 0.00 N ATOM 853 CA PHE A 55 3.766 2.633 -1.879 1.00 0.00 C ATOM 854 C PHE A 55 4.199 3.780 -2.786 1.00 0.00 C ATOM 855 O PHE A 55 4.486 4.882 -2.318 1.00 0.00 O ATOM 856 CB PHE A 55 4.788 1.496 -1.951 1.00 0.00 C ATOM 857 CG PHE A 55 4.691 0.530 -0.805 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.332 0.792 0.395 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.960 -0.640 -0.928 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.245 -0.095 1.452 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.869 -1.531 0.125 1.00 0.00 C ATOM 862 CZ PHE A 55 4.513 -1.258 1.316 1.00 0.00 C ATOM 0 H PHE A 55 2.381 1.135 -2.366 1.00 0.00 H new ATOM 0 HA PHE A 55 3.716 3.003 -0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.650 0.953 -2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.791 1.921 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.906 1.700 0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.455 -0.859 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.749 0.121 2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.295 -2.439 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.444 -1.953 2.140 1.00 0.00 H new ATOM 872 N SER A 56 4.246 3.513 -4.088 1.00 0.00 N ATOM 873 CA SER A 56 4.649 4.521 -5.061 1.00 0.00 C ATOM 874 C SER A 56 3.838 5.801 -4.886 1.00 0.00 C ATOM 875 O SER A 56 4.331 6.899 -5.137 1.00 0.00 O ATOM 876 CB SER A 56 4.475 3.984 -6.483 1.00 0.00 C ATOM 877 OG SER A 56 5.612 3.243 -6.891 1.00 0.00 O ATOM 0 H SER A 56 4.010 2.607 -4.493 1.00 0.00 H new ATOM 0 HA SER A 56 5.701 4.753 -4.893 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.589 3.351 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.312 4.814 -7.171 1.00 0.00 H new ATOM 0 HG SER A 56 5.475 2.909 -7.802 1.00 0.00 H new ATOM 883 N GLU A 57 2.590 5.648 -4.452 1.00 0.00 N ATOM 884 CA GLU A 57 1.710 6.792 -4.244 1.00 0.00 C ATOM 885 C GLU A 57 1.879 7.360 -2.837 1.00 0.00 C ATOM 886 O GLU A 57 1.563 8.522 -2.584 1.00 0.00 O ATOM 887 CB GLU A 57 0.251 6.389 -4.470 1.00 0.00 C ATOM 888 CG GLU A 57 -0.182 6.461 -5.925 1.00 0.00 C ATOM 889 CD GLU A 57 -1.659 6.765 -6.079 1.00 0.00 C ATOM 890 OE1 GLU A 57 -2.473 5.824 -5.978 1.00 0.00 O ATOM 891 OE2 GLU A 57 -2.001 7.946 -6.302 1.00 0.00 O ATOM 0 H GLU A 57 2.167 4.745 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 57 1.983 7.563 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.103 5.372 -4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.393 7.038 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.399 7.229 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.043 5.514 -6.415 1.00 0.00 H new ATOM 898 N ARG A 58 2.381 6.531 -1.927 1.00 0.00 N ATOM 899 CA ARG A 58 2.591 6.949 -0.547 1.00 0.00 C ATOM 900 C ARG A 58 3.977 7.563 -0.370 1.00 0.00 C ATOM 901 O ARG A 58 4.107 8.753 -0.083 1.00 0.00 O ATOM 902 CB ARG A 58 2.424 5.759 0.400 1.00 0.00 C ATOM 903 CG ARG A 58 2.833 6.059 1.833 1.00 0.00 C ATOM 904 CD ARG A 58 1.756 6.841 2.568 1.00 0.00 C ATOM 905 NE ARG A 58 2.219 7.321 3.867 1.00 0.00 N ATOM 906 CZ ARG A 58 1.574 8.234 4.586 1.00 0.00 C ATOM 907 NH1 ARG A 58 0.445 8.762 4.134 1.00 0.00 N ATOM 908 NH2 ARG A 58 2.058 8.619 5.759 1.00 0.00 N ATOM 0 H ARG A 58 2.650 5.566 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 58 1.844 7.705 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.382 5.439 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.018 4.924 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.029 5.125 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.763 6.628 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.444 7.689 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.879 6.208 2.707 1.00 0.00 H new ATOM 0 HE ARG A 58 3.085 6.935 4.243 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.069 8.468 3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.048 9.462 4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.926 8.214 6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.562 9.320 6.310 1.00 0.00 H new ATOM 922 N ARG A 59 5.008 6.743 -0.542 1.00 0.00 N ATOM 923 CA ARG A 59 6.383 7.205 -0.399 1.00 0.00 C ATOM 924 C ARG A 59 6.604 8.502 -1.172 1.00 0.00 C ATOM 925 O ARG A 59 7.361 9.372 -0.742 1.00 0.00 O ATOM 926 CB ARG A 59 7.357 6.133 -0.892 1.00 0.00 C ATOM 927 CG ARG A 59 7.357 5.958 -2.402 1.00 0.00 C ATOM 928 CD ARG A 59 7.984 4.634 -2.809 1.00 0.00 C ATOM 929 NE ARG A 59 9.439 4.723 -2.903 1.00 0.00 N ATOM 930 CZ ARG A 59 10.078 5.245 -3.943 1.00 0.00 C ATOM 931 NH1 ARG A 59 9.394 5.724 -4.974 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.404 5.291 -3.954 1.00 0.00 N ATOM 0 H ARG A 59 4.917 5.755 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 59 6.568 7.396 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.364 6.391 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.104 5.181 -0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.334 6.007 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.905 6.779 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.714 3.867 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.577 4.321 -3.770 1.00 0.00 H new ATOM 0 HE ARG A 59 9.995 4.364 -2.127 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.375 5.692 -4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.888 6.125 -5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.934 4.925 -3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.894 5.692 -4.754 1.00 0.00 H new ATOM 946 N LYS A 60 5.938 8.624 -2.315 1.00 0.00 N ATOM 947 CA LYS A 60 6.060 9.814 -3.149 1.00 0.00 C ATOM 948 C LYS A 60 5.376 11.010 -2.494 1.00 0.00 C ATOM 949 O LYS A 60 5.796 12.153 -2.670 1.00 0.00 O ATOM 950 CB LYS A 60 5.452 9.559 -4.530 1.00 0.00 C ATOM 951 CG LYS A 60 3.937 9.651 -4.554 1.00 0.00 C ATOM 952 CD LYS A 60 3.397 9.602 -5.974 1.00 0.00 C ATOM 953 CE LYS A 60 3.432 10.974 -6.631 1.00 0.00 C ATOM 954 NZ LYS A 60 2.258 11.804 -6.244 1.00 0.00 N ATOM 0 H LYS A 60 5.308 7.913 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 60 7.120 10.041 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.863 10.280 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.753 8.569 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.513 8.831 -3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.620 10.578 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.986 8.900 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.373 9.229 -5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.350 11.489 -6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.453 10.857 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.319 12.731 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.383 11.325 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.252 11.937 -5.213 1.00 0.00 H new ATOM 968 N LYS A 61 4.319 10.738 -1.735 1.00 0.00 N ATOM 969 CA LYS A 61 3.577 11.790 -1.051 1.00 0.00 C ATOM 970 C LYS A 61 4.458 12.499 -0.027 1.00 0.00 C ATOM 971 O LYS A 61 4.338 13.707 0.180 1.00 0.00 O ATOM 972 CB LYS A 61 2.343 11.206 -0.360 1.00 0.00 C ATOM 973 CG LYS A 61 1.471 12.251 0.315 1.00 0.00 C ATOM 974 CD LYS A 61 0.129 11.673 0.731 1.00 0.00 C ATOM 975 CE LYS A 61 -0.563 12.555 1.759 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.433 13.579 1.117 1.00 0.00 N ATOM 0 H LYS A 61 3.957 9.797 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 61 3.258 12.518 -1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.746 10.667 -1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.665 10.478 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.986 12.645 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.313 13.088 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.509 11.565 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.274 10.675 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.163 11.934 2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.187 13.051 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.886 14.159 1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.857 14.188 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.165 13.106 0.549 1.00 0.00 H new ATOM 990 N VAL A 62 5.345 11.741 0.610 1.00 0.00 N ATOM 991 CA VAL A 62 6.248 12.298 1.610 1.00 0.00 C ATOM 992 C VAL A 62 7.405 13.041 0.953 1.00 0.00 C ATOM 993 O VAL A 62 7.786 14.127 1.387 1.00 0.00 O ATOM 994 CB VAL A 62 6.814 11.199 2.529 1.00 0.00 C ATOM 995 CG1 VAL A 62 7.772 11.796 3.548 1.00 0.00 C ATOM 996 CG2 VAL A 62 5.684 10.451 3.222 1.00 0.00 C ATOM 0 H VAL A 62 5.457 10.740 0.451 1.00 0.00 H new ATOM 0 HA VAL A 62 5.664 12.997 2.209 1.00 0.00 H new ATOM 0 HB VAL A 62 7.369 10.488 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.162 11.005 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.598 12.283 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.244 12.529 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.101 9.678 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.100 11.149 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.040 9.990 2.473 1.00 0.00 H new ATOM 1006 N ASN A 63 7.961 12.447 -0.098 1.00 0.00 N ATOM 1007 CA ASN A 63 9.077 13.053 -0.817 1.00 0.00 C ATOM 1008 C ASN A 63 8.671 14.394 -1.420 1.00 0.00 C ATOM 1009 O ASN A 63 9.447 15.349 -1.414 1.00 0.00 O ATOM 1010 CB ASN A 63 9.570 12.114 -1.920 1.00 0.00 C ATOM 1011 CG ASN A 63 10.657 12.742 -2.770 1.00 0.00 C ATOM 1012 OD1 ASN A 63 10.456 13.793 -3.378 1.00 0.00 O ATOM 1013 ND2 ASN A 63 11.818 12.098 -2.817 1.00 0.00 N ATOM 0 H ASN A 63 7.658 11.547 -0.471 1.00 0.00 H new ATOM 0 HA ASN A 63 9.885 13.224 -0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.949 11.196 -1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.731 11.834 -2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.587 12.472 -3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.941 11.229 -2.297 1.00 0.00 H new ATOM 1020 N ALA A 64 7.450 14.458 -1.940 1.00 0.00 N ATOM 1021 CA ALA A 64 6.939 15.682 -2.544 1.00 0.00 C ATOM 1022 C ALA A 64 6.309 16.591 -1.494 1.00 0.00 C ATOM 1023 O ALA A 64 5.277 17.215 -1.740 1.00 0.00 O ATOM 1024 CB ALA A 64 5.931 15.352 -3.634 1.00 0.00 C ATOM 0 H ALA A 64 6.796 13.676 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 64 7.778 16.215 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.558 16.276 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.412 14.749 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.099 14.794 -3.204 1.00 0.00 H new ATOM 1030 N GLU A 65 6.936 16.660 -0.324 1.00 0.00 N ATOM 1031 CA GLU A 65 6.433 17.492 0.763 1.00 0.00 C ATOM 1032 C GLU A 65 7.485 18.508 1.201 1.00 0.00 C ATOM 1033 O GLU A 65 8.685 18.250 1.116 1.00 0.00 O ATOM 1034 CB GLU A 65 6.022 16.622 1.953 1.00 0.00 C ATOM 1035 CG GLU A 65 5.658 17.420 3.193 1.00 0.00 C ATOM 1036 CD GLU A 65 4.702 16.677 4.105 1.00 0.00 C ATOM 1037 OE1 GLU A 65 5.181 15.910 4.967 1.00 0.00 O ATOM 1038 OE2 GLU A 65 3.476 16.861 3.958 1.00 0.00 O ATOM 0 H GLU A 65 7.792 16.151 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 65 5.559 18.032 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.170 16.006 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.839 15.943 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.567 17.662 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.207 18.366 2.892 1.00 0.00 H new ATOM 1045 N GLU A 66 7.023 19.664 1.669 1.00 0.00 N ATOM 1046 CA GLU A 66 7.924 20.719 2.119 1.00 0.00 C ATOM 1047 C GLU A 66 7.516 21.231 3.497 1.00 0.00 C ATOM 1048 O GLU A 66 6.372 21.065 3.921 1.00 0.00 O ATOM 1049 CB GLU A 66 7.933 21.874 1.115 1.00 0.00 C ATOM 1050 CG GLU A 66 8.572 21.519 -0.217 1.00 0.00 C ATOM 1051 CD GLU A 66 9.950 20.907 -0.058 1.00 0.00 C ATOM 1052 OE1 GLU A 66 10.647 21.261 0.916 1.00 0.00 O ATOM 1053 OE2 GLU A 66 10.332 20.074 -0.906 1.00 0.00 O ATOM 0 H GLU A 66 6.032 19.893 1.746 1.00 0.00 H new ATOM 0 HA GLU A 66 8.928 20.300 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.908 22.201 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.467 22.719 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.927 20.820 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.646 22.417 -0.831 1.00 0.00 H new ATOM 1060 N THR A 67 8.461 21.855 4.193 1.00 0.00 N ATOM 1061 CA THR A 67 8.203 22.390 5.524 1.00 0.00 C ATOM 1062 C THR A 67 8.008 23.901 5.481 1.00 0.00 C ATOM 1063 O THR A 67 6.984 24.419 5.928 1.00 0.00 O ATOM 1064 CB THR A 67 9.352 22.059 6.496 1.00 0.00 C ATOM 1065 OG1 THR A 67 10.608 22.416 5.908 1.00 0.00 O ATOM 1066 CG2 THR A 67 9.353 20.580 6.849 1.00 0.00 C ATOM 0 H THR A 67 9.413 22.002 3.857 1.00 0.00 H new ATOM 0 HA THR A 67 7.288 21.918 5.882 1.00 0.00 H new ATOM 0 HB THR A 67 9.203 22.634 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.333 22.204 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.173 20.370 7.536 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.407 20.318 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.480 19.989 5.942 1.00 0.00 H new ATOM 1074 N LYS A 68 8.996 24.605 4.939 1.00 0.00 N ATOM 1075 CA LYS A 68 8.933 26.058 4.835 1.00 0.00 C ATOM 1076 C LYS A 68 7.623 26.501 4.192 1.00 0.00 C ATOM 1077 O LYS A 68 7.033 25.772 3.394 1.00 0.00 O ATOM 1078 CB LYS A 68 10.117 26.583 4.020 1.00 0.00 C ATOM 1079 CG LYS A 68 10.173 26.034 2.605 1.00 0.00 C ATOM 1080 CD LYS A 68 9.347 26.876 1.647 1.00 0.00 C ATOM 1081 CE LYS A 68 9.503 26.401 0.211 1.00 0.00 C ATOM 1082 NZ LYS A 68 9.299 27.507 -0.765 1.00 0.00 N ATOM 0 H LYS A 68 9.850 24.192 4.565 1.00 0.00 H new ATOM 0 HA LYS A 68 8.981 26.472 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.064 27.671 3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.043 26.330 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.208 26.005 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.807 25.007 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.296 26.831 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.653 27.919 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.497 25.976 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.786 25.604 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.414 27.142 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.341 27.896 -0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.999 28.256 -0.592 1.00 0.00 H new ATOM 1096 N LYS A 69 7.173 27.701 4.543 1.00 0.00 N ATOM 1097 CA LYS A 69 5.935 28.244 3.998 1.00 0.00 C ATOM 1098 C LYS A 69 5.720 29.681 4.462 1.00 0.00 C ATOM 1099 O LYS A 69 5.477 29.933 5.642 1.00 0.00 O ATOM 1100 CB LYS A 69 4.746 27.378 4.420 1.00 0.00 C ATOM 1101 CG LYS A 69 3.549 27.494 3.491 1.00 0.00 C ATOM 1102 CD LYS A 69 3.612 26.470 2.370 1.00 0.00 C ATOM 1103 CE LYS A 69 2.238 26.219 1.767 1.00 0.00 C ATOM 1104 NZ LYS A 69 1.388 25.377 2.654 1.00 0.00 N ATOM 0 H LYS A 69 7.648 28.316 5.203 1.00 0.00 H new ATOM 0 HA LYS A 69 6.013 28.240 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.063 26.336 4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.442 27.660 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.630 27.355 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.512 28.497 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.293 26.820 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.019 25.534 2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.741 27.172 1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.350 25.729 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.547 25.060 2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.931 24.549 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.091 25.934 3.481 1.00 0.00 H new ATOM 1118 N SER A 70 5.810 30.620 3.525 1.00 0.00 N ATOM 1119 CA SER A 70 5.628 32.033 3.839 1.00 0.00 C ATOM 1120 C SER A 70 4.685 32.694 2.838 1.00 0.00 C ATOM 1121 O SER A 70 4.855 32.562 1.627 1.00 0.00 O ATOM 1122 CB SER A 70 6.976 32.755 3.841 1.00 0.00 C ATOM 1123 OG SER A 70 7.715 32.458 2.668 1.00 0.00 O ATOM 0 H SER A 70 6.008 30.428 2.543 1.00 0.00 H new ATOM 0 HA SER A 70 5.185 32.105 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.816 33.831 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.549 32.460 4.720 1.00 0.00 H new ATOM 0 HG SER A 70 7.111 32.441 1.896 1.00 0.00 H new ATOM 1129 N GLY A 71 3.689 33.407 3.355 1.00 0.00 N ATOM 1130 CA GLY A 71 2.733 34.079 2.494 1.00 0.00 C ATOM 1131 C GLY A 71 2.792 35.588 2.629 1.00 0.00 C ATOM 1132 O GLY A 71 2.011 36.198 3.360 1.00 0.00 O ATOM 0 H GLY A 71 3.527 33.531 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.925 33.802 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.727 33.735 2.735 1.00 0.00 H new ATOM 1136 N PRO A 72 3.737 36.214 1.913 1.00 0.00 N ATOM 1137 CA PRO A 72 3.918 37.668 1.940 1.00 0.00 C ATOM 1138 C PRO A 72 2.773 38.408 1.257 1.00 0.00 C ATOM 1139 O PRO A 72 1.816 37.792 0.788 1.00 0.00 O ATOM 1140 CB PRO A 72 5.225 37.878 1.171 1.00 0.00 C ATOM 1141 CG PRO A 72 5.329 36.694 0.273 1.00 0.00 C ATOM 1142 CD PRO A 72 4.702 35.550 1.021 1.00 0.00 C ATOM 0 HA PRO A 72 3.940 38.057 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.204 38.807 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.077 37.938 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.813 36.873 -0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.370 36.478 0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.210 34.850 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.444 34.982 1.583 1.00 0.00 H new ATOM 1150 N SER A 73 2.878 39.732 1.205 1.00 0.00 N ATOM 1151 CA SER A 73 1.848 40.556 0.582 1.00 0.00 C ATOM 1152 C SER A 73 1.234 39.842 -0.619 1.00 0.00 C ATOM 1153 O SER A 73 1.893 39.643 -1.640 1.00 0.00 O ATOM 1154 CB SER A 73 2.436 41.899 0.145 1.00 0.00 C ATOM 1155 OG SER A 73 1.435 42.740 -0.401 1.00 0.00 O ATOM 0 H SER A 73 3.665 40.257 1.586 1.00 0.00 H new ATOM 0 HA SER A 73 1.064 40.732 1.318 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.902 42.390 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.219 41.733 -0.595 1.00 0.00 H new ATOM 0 HG SER A 73 1.836 43.593 -0.671 1.00 0.00 H new ATOM 1161 N SER A 74 -0.032 39.459 -0.488 1.00 0.00 N ATOM 1162 CA SER A 74 -0.735 38.764 -1.560 1.00 0.00 C ATOM 1163 C SER A 74 -2.201 39.183 -1.609 1.00 0.00 C ATOM 1164 O SER A 74 -2.945 38.995 -0.648 1.00 0.00 O ATOM 1165 CB SER A 74 -0.632 37.250 -1.367 1.00 0.00 C ATOM 1166 OG SER A 74 0.582 36.749 -1.900 1.00 0.00 O ATOM 0 H SER A 74 -0.592 39.618 0.350 1.00 0.00 H new ATOM 0 HA SER A 74 -0.266 39.036 -2.505 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.693 37.011 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.476 36.760 -1.853 1.00 0.00 H new ATOM 0 HG SER A 74 1.246 37.469 -1.934 1.00 0.00 H new ATOM 1172 N GLY A 75 -2.609 39.755 -2.738 1.00 0.00 N ATOM 1173 CA GLY A 75 -3.984 40.193 -2.893 1.00 0.00 C ATOM 1174 C GLY A 75 -4.981 39.134 -2.466 1.00 0.00 C ATOM 1175 O GLY A 75 -4.982 38.023 -2.996 1.00 0.00 O ATOM 0 H GLY A 75 -2.012 39.923 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.143 41.096 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.163 40.457 -3.935 1.00 0.00 H new TER 1179 GLY A 75