USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 777 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 17 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.015) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 1 MET CE :methyl 170:sc= -1.18 (180deg=-1.38) USER MOD Single : A -2 LYS NZ :NH3+ -173:sc= 0.531 (180deg=0.503) USER MOD Single : A -7 LYS NZ :NH3+ -140:sc= -0.753 (180deg=-1.13!) USER MOD Single : A -8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 100:sc= 0.243 USER MOD Single : A 21 TYR OH : rot 96:sc= 0.364 USER MOD Single : A 29 THR OG1 : rot 107:sc= 0.836 USER MOD Single : A 36 SER OG : rot 85:sc= 0.732 USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.16) USER MOD Single : A 57 HIS : no HD1:sc=-0.00299 X(o=-0.003,f=0) USER MOD Single : A 59 ASN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= 0.0527 (180deg=-0.417) USER MOD Single : A 63 ASN : amide:sc= -1.04 K(o=-1,f=-6!) USER MOD Single : A 69 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-0.94) USER MOD Single : A 73 MET CE :methyl -111:sc= -0.669 (180deg=-2.44) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A -13 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -13 -2.128 -12.821 -0.871 1.00 0.00 N ATOM 2 CA GLY A -13 -1.053 -11.922 -1.334 1.00 0.00 C ATOM 3 C GLY A -13 -1.202 -10.516 -0.763 1.00 0.00 C ATOM 4 O GLY A -13 -1.056 -10.321 0.452 1.00 0.00 O ATOM 0 H1 GLY A -13 -1.991 -13.767 -1.281 1.00 0.00 H new ATOM 0 H2 GLY A -13 -2.103 -12.887 0.167 1.00 0.00 H new ATOM 0 H3 GLY A -13 -3.049 -12.444 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A -13 -0.086 -12.332 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A -13 -1.063 -11.875 -2.423 1.00 0.00 H new ATOM 10 N GLY A -12 -1.501 -9.535 -1.639 1.00 0.00 N ATOM 11 CA GLY A -12 -1.666 -8.134 -1.248 1.00 0.00 C ATOM 12 C GLY A -12 -0.570 -7.257 -1.845 1.00 0.00 C ATOM 13 O GLY A -12 0.263 -6.697 -1.121 1.00 0.00 O ATOM 0 H GLY A -12 -1.633 -9.700 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A -12 -2.641 -7.775 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A -12 -1.647 -8.053 -0.161 1.00 0.00 H new ATOM 17 N GLY A -11 -0.566 -7.159 -3.186 1.00 0.00 N ATOM 18 CA GLY A -11 0.398 -6.330 -3.922 1.00 0.00 C ATOM 19 C GLY A -11 -0.267 -5.548 -5.047 1.00 0.00 C ATOM 20 O GLY A -11 -1.450 -5.194 -4.946 1.00 0.00 O ATOM 0 H GLY A -11 -1.229 -7.651 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A -11 0.880 -5.636 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A -11 1.182 -6.965 -4.335 1.00 0.00 H new ATOM 24 N ARG A -10 0.495 -5.284 -6.126 1.00 0.00 N ATOM 25 CA ARG A -10 0.015 -4.561 -7.324 1.00 0.00 C ATOM 26 C ARG A -10 -0.306 -5.557 -8.456 1.00 0.00 C ATOM 27 O ARG A -10 -0.110 -5.268 -9.641 1.00 0.00 O ATOM 28 CB ARG A -10 1.079 -3.514 -7.768 1.00 0.00 C ATOM 29 CG ARG A -10 1.327 -2.399 -6.728 1.00 0.00 C ATOM 30 CD ARG A -10 2.332 -1.342 -7.210 1.00 0.00 C ATOM 31 NE ARG A -10 2.486 -0.240 -6.236 1.00 0.00 N ATOM 32 CZ ARG A -10 2.416 1.066 -6.523 1.00 0.00 C ATOM 33 NH1 ARG A -10 2.206 1.479 -7.768 1.00 0.00 N ATOM 34 NH2 ARG A -10 2.539 1.953 -5.549 1.00 0.00 N ATOM 0 H ARG A -10 1.472 -5.569 -6.193 1.00 0.00 H new ATOM 0 HA ARG A -10 -0.905 -4.029 -7.083 1.00 0.00 H new ATOM 0 HB2 ARG A -10 2.019 -4.028 -7.968 1.00 0.00 H new ATOM 0 HB3 ARG A -10 0.759 -3.059 -8.705 1.00 0.00 H new ATOM 0 HG2 ARG A -10 0.381 -1.912 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A -10 1.694 -2.846 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A -10 3.300 -1.813 -7.381 1.00 0.00 H new ATOM 0 HD3 ARG A -10 2.002 -0.937 -8.167 1.00 0.00 H new ATOM 0 HE ARG A -10 2.660 -0.496 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG A -10 2.096 0.798 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A -10 2.155 2.477 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A -10 2.686 1.640 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A -10 2.487 2.950 -5.758 1.00 0.00 H new ATOM 48 N ASP A -9 -0.821 -6.724 -8.065 1.00 0.00 N ATOM 49 CA ASP A -9 -1.238 -7.778 -9.000 1.00 0.00 C ATOM 50 C ASP A -9 -2.638 -7.481 -9.556 1.00 0.00 C ATOM 51 O ASP A -9 -3.592 -7.251 -8.801 1.00 0.00 O ATOM 52 CB ASP A -9 -1.179 -9.173 -8.321 1.00 0.00 C ATOM 53 CG ASP A -9 -1.942 -9.252 -6.982 1.00 0.00 C ATOM 54 OD1 ASP A -9 -1.418 -8.754 -5.957 1.00 0.00 O ATOM 55 OD2 ASP A -9 -3.067 -9.799 -6.946 1.00 0.00 O ATOM 0 H ASP A -9 -0.963 -6.969 -7.085 1.00 0.00 H new ATOM 0 HA ASP A -9 -0.542 -7.792 -9.839 1.00 0.00 H new ATOM 0 HB2 ASP A -9 -1.588 -9.916 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A -9 -0.136 -9.438 -8.149 1.00 0.00 H new ATOM 60 N TYR A -8 -2.740 -7.474 -10.891 1.00 0.00 N ATOM 61 CA TYR A -8 -3.998 -7.207 -11.616 1.00 0.00 C ATOM 62 C TYR A -8 -4.562 -8.519 -12.204 1.00 0.00 C ATOM 63 O TYR A -8 -5.502 -8.496 -13.010 1.00 0.00 O ATOM 64 CB TYR A -8 -3.736 -6.165 -12.743 1.00 0.00 C ATOM 65 CG TYR A -8 -2.975 -4.918 -12.275 1.00 0.00 C ATOM 66 CD1 TYR A -8 -3.600 -3.936 -11.502 1.00 0.00 C ATOM 67 CD2 TYR A -8 -1.633 -4.718 -12.609 1.00 0.00 C ATOM 68 CE1 TYR A -8 -2.919 -2.809 -11.084 1.00 0.00 C ATOM 69 CE2 TYR A -8 -0.952 -3.593 -12.191 1.00 0.00 C ATOM 70 CZ TYR A -8 -1.598 -2.640 -11.433 1.00 0.00 C ATOM 71 OH TYR A -8 -0.921 -1.516 -11.016 1.00 0.00 O ATOM 0 H TYR A -8 -1.948 -7.654 -11.507 1.00 0.00 H new ATOM 0 HA TYR A -8 -4.736 -6.800 -10.925 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -3.171 -6.644 -13.543 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -4.691 -5.857 -13.168 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -4.637 -4.061 -11.226 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -1.119 -5.458 -13.205 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -3.421 -2.063 -10.486 1.00 0.00 H new ATOM 0 HE2 TYR A -8 0.086 -3.459 -12.457 1.00 0.00 H new ATOM 0 HH TYR A -8 0.002 -1.549 -11.345 1.00 0.00 H new ATOM 81 N LYS A -7 -3.999 -9.661 -11.754 1.00 0.00 N ATOM 82 CA LYS A -7 -4.271 -10.990 -12.322 1.00 0.00 C ATOM 83 C LYS A -7 -3.970 -12.083 -11.278 1.00 0.00 C ATOM 84 O LYS A -7 -3.227 -11.846 -10.320 1.00 0.00 O ATOM 85 CB LYS A -7 -3.417 -11.176 -13.605 1.00 0.00 C ATOM 86 CG LYS A -7 -1.880 -11.123 -13.374 1.00 0.00 C ATOM 87 CD LYS A -7 -1.118 -10.596 -14.610 1.00 0.00 C ATOM 88 CE LYS A -7 0.384 -10.889 -14.580 1.00 0.00 C ATOM 89 NZ LYS A -7 1.100 -10.212 -15.694 1.00 0.00 N ATOM 0 H LYS A -7 -3.337 -9.681 -10.978 1.00 0.00 H new ATOM 0 HA LYS A -7 -5.324 -11.075 -12.590 1.00 0.00 H new ATOM 0 HB2 LYS A -7 -3.670 -12.135 -14.058 1.00 0.00 H new ATOM 0 HB3 LYS A -7 -3.690 -10.402 -14.323 1.00 0.00 H new ATOM 0 HG2 LYS A -7 -1.666 -10.483 -12.518 1.00 0.00 H new ATOM 0 HG3 LYS A -7 -1.518 -12.120 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A -7 -1.548 -11.041 -15.507 1.00 0.00 H new ATOM 0 HD3 LYS A -7 -1.267 -9.519 -14.685 1.00 0.00 H new ATOM 0 HE2 LYS A -7 0.800 -10.560 -13.628 1.00 0.00 H new ATOM 0 HE3 LYS A -7 0.546 -11.965 -14.644 1.00 0.00 H new ATOM 0 HZ1 LYS A -7 1.825 -10.850 -16.079 1.00 0.00 H new ATOM 0 HZ2 LYS A -7 0.422 -9.965 -16.443 1.00 0.00 H new ATOM 0 HZ3 LYS A -7 1.554 -9.346 -15.339 1.00 0.00 H new ATOM 103 N ASP A -6 -4.524 -13.289 -11.506 1.00 0.00 N ATOM 104 CA ASP A -6 -4.487 -14.418 -10.534 1.00 0.00 C ATOM 105 C ASP A -6 -3.123 -15.168 -10.534 1.00 0.00 C ATOM 106 O ASP A -6 -2.919 -16.100 -9.742 1.00 0.00 O ATOM 107 CB ASP A -6 -5.668 -15.387 -10.846 1.00 0.00 C ATOM 108 CG ASP A -6 -5.839 -16.525 -9.816 1.00 0.00 C ATOM 109 OD1 ASP A -6 -6.123 -16.228 -8.631 1.00 0.00 O ATOM 110 OD2 ASP A -6 -5.657 -17.717 -10.174 1.00 0.00 O ATOM 0 H ASP A -6 -5.014 -13.517 -12.371 1.00 0.00 H new ATOM 0 HA ASP A -6 -4.598 -14.010 -9.529 1.00 0.00 H new ATOM 0 HB2 ASP A -6 -6.593 -14.812 -10.893 1.00 0.00 H new ATOM 0 HB3 ASP A -6 -5.514 -15.824 -11.832 1.00 0.00 H new ATOM 115 N ASP A -5 -2.191 -14.727 -11.397 1.00 0.00 N ATOM 116 CA ASP A -5 -0.848 -15.338 -11.533 1.00 0.00 C ATOM 117 C ASP A -5 -0.018 -15.259 -10.223 1.00 0.00 C ATOM 118 O ASP A -5 -0.267 -14.408 -9.352 1.00 0.00 O ATOM 119 CB ASP A -5 -0.062 -14.669 -12.694 1.00 0.00 C ATOM 120 CG ASP A -5 -0.665 -14.966 -14.075 1.00 0.00 C ATOM 121 OD1 ASP A -5 -1.582 -14.239 -14.506 1.00 0.00 O ATOM 122 OD2 ASP A -5 -0.250 -15.951 -14.724 1.00 0.00 O ATOM 0 H ASP A -5 -2.344 -13.936 -12.023 1.00 0.00 H new ATOM 0 HA ASP A -5 -1.006 -16.393 -11.755 1.00 0.00 H new ATOM 0 HB2 ASP A -5 -0.041 -13.591 -12.537 1.00 0.00 H new ATOM 0 HB3 ASP A -5 0.971 -15.015 -12.673 1.00 0.00 H new ATOM 127 N ASP A -4 0.964 -16.177 -10.120 1.00 0.00 N ATOM 128 CA ASP A -4 1.893 -16.296 -8.976 1.00 0.00 C ATOM 129 C ASP A -4 2.659 -14.983 -8.754 1.00 0.00 C ATOM 130 O ASP A -4 2.615 -14.389 -7.664 1.00 0.00 O ATOM 131 CB ASP A -4 2.880 -17.465 -9.253 1.00 0.00 C ATOM 132 CG ASP A -4 3.959 -17.642 -8.165 1.00 0.00 C ATOM 133 OD1 ASP A -4 3.698 -18.327 -7.155 1.00 0.00 O ATOM 134 OD2 ASP A -4 5.073 -17.091 -8.311 1.00 0.00 O ATOM 0 H ASP A -4 1.138 -16.872 -10.846 1.00 0.00 H new ATOM 0 HA ASP A -4 1.325 -16.502 -8.069 1.00 0.00 H new ATOM 0 HB2 ASP A -4 2.314 -18.392 -9.344 1.00 0.00 H new ATOM 0 HB3 ASP A -4 3.369 -17.295 -10.212 1.00 0.00 H new ATOM 139 N ASP A -3 3.366 -14.556 -9.807 1.00 0.00 N ATOM 140 CA ASP A -3 4.020 -13.248 -9.863 1.00 0.00 C ATOM 141 C ASP A -3 2.974 -12.201 -10.285 1.00 0.00 C ATOM 142 O ASP A -3 2.059 -12.515 -11.058 1.00 0.00 O ATOM 143 CB ASP A -3 5.207 -13.291 -10.858 1.00 0.00 C ATOM 144 CG ASP A -3 5.999 -11.971 -10.932 1.00 0.00 C ATOM 145 OD1 ASP A -3 6.637 -11.592 -9.928 1.00 0.00 O ATOM 146 OD2 ASP A -3 5.986 -11.302 -11.982 1.00 0.00 O ATOM 0 H ASP A -3 3.500 -15.115 -10.650 1.00 0.00 H new ATOM 0 HA ASP A -3 4.421 -12.980 -8.886 1.00 0.00 H new ATOM 0 HB2 ASP A -3 5.884 -14.095 -10.569 1.00 0.00 H new ATOM 0 HB3 ASP A -3 4.829 -13.534 -11.851 1.00 0.00 H new ATOM 151 N LYS A -2 3.107 -10.971 -9.760 1.00 0.00 N ATOM 152 CA LYS A -2 2.186 -9.851 -10.062 1.00 0.00 C ATOM 153 C LYS A -2 2.246 -9.478 -11.560 1.00 0.00 C ATOM 154 O LYS A -2 1.278 -8.941 -12.114 1.00 0.00 O ATOM 155 CB LYS A -2 2.515 -8.607 -9.170 1.00 0.00 C ATOM 156 CG LYS A -2 3.701 -7.719 -9.647 1.00 0.00 C ATOM 157 CD LYS A -2 5.097 -8.381 -9.584 1.00 0.00 C ATOM 158 CE LYS A -2 5.585 -8.616 -8.150 1.00 0.00 C ATOM 159 NZ LYS A -2 6.956 -9.185 -8.127 1.00 0.00 N ATOM 0 H LYS A -2 3.855 -10.721 -9.113 1.00 0.00 H new ATOM 0 HA LYS A -2 1.171 -10.177 -9.834 1.00 0.00 H new ATOM 0 HB2 LYS A -2 1.623 -7.984 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A -2 2.732 -8.956 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A -2 3.511 -7.411 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A -2 3.720 -6.813 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A -2 5.065 -9.334 -10.112 1.00 0.00 H new ATOM 0 HD3 LYS A -2 5.816 -7.751 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A -2 5.572 -7.674 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A -2 4.901 -9.293 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 7.209 -9.442 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 6.990 -10.033 -8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 7.631 -8.479 -8.485 1.00 0.00 H new ATOM 173 N GLY A -1 3.410 -9.780 -12.183 1.00 0.00 N ATOM 174 CA GLY A -1 3.643 -9.562 -13.600 1.00 0.00 C ATOM 175 C GLY A -1 3.544 -8.113 -14.004 1.00 0.00 C ATOM 176 O GLY A -1 2.846 -7.775 -14.962 1.00 0.00 O ATOM 0 H GLY A -1 4.210 -10.185 -11.697 1.00 0.00 H new ATOM 0 HA2 GLY A -1 4.632 -9.938 -13.861 1.00 0.00 H new ATOM 0 HA3 GLY A -1 2.920 -10.142 -14.174 1.00 0.00 H new ATOM 180 N THR A 0 4.215 -7.252 -13.239 1.00 0.00 N ATOM 181 CA THR A 0 4.261 -5.812 -13.508 1.00 0.00 C ATOM 182 C THR A 0 5.722 -5.368 -13.638 1.00 0.00 C ATOM 183 O THR A 0 6.586 -5.834 -12.886 1.00 0.00 O ATOM 184 CB THR A 0 3.558 -4.990 -12.374 1.00 0.00 C ATOM 185 OG1 THR A 0 4.289 -5.107 -11.143 1.00 0.00 O ATOM 186 CG2 THR A 0 2.098 -5.418 -12.161 1.00 0.00 C ATOM 0 H THR A 0 4.744 -7.533 -12.413 1.00 0.00 H new ATOM 0 HA THR A 0 3.726 -5.622 -14.438 1.00 0.00 H new ATOM 0 HB THR A 0 3.550 -3.948 -12.694 1.00 0.00 H new ATOM 0 HG1 THR A 0 3.839 -4.587 -10.445 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.656 -4.819 -11.365 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.537 -5.268 -13.083 1.00 0.00 H new ATOM 0 HG23 THR A 0 2.064 -6.472 -11.883 1.00 0.00 H new ATOM 194 N MET A 1 5.982 -4.441 -14.565 1.00 0.00 N ATOM 195 CA MET A 1 7.336 -3.956 -14.863 1.00 0.00 C ATOM 196 C MET A 1 7.395 -2.433 -14.706 1.00 0.00 C ATOM 197 O MET A 1 6.430 -1.729 -15.039 1.00 0.00 O ATOM 198 CB MET A 1 7.751 -4.399 -16.287 1.00 0.00 C ATOM 199 CG MET A 1 6.916 -3.834 -17.430 1.00 0.00 C ATOM 200 SD MET A 1 7.537 -4.368 -19.033 1.00 0.00 S ATOM 201 CE MET A 1 6.534 -3.383 -20.129 1.00 0.00 C ATOM 0 H MET A 1 5.257 -4.003 -15.133 1.00 0.00 H new ATOM 0 HA MET A 1 8.043 -4.390 -14.156 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.791 -4.113 -16.447 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.708 -5.487 -16.335 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.880 -4.153 -17.316 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.922 -2.745 -17.382 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.917 -3.466 -21.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.504 -3.740 -20.099 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.566 -2.340 -19.813 1.00 0.00 H new ATOM 211 N GLU A 2 8.521 -1.929 -14.168 1.00 0.00 N ATOM 212 CA GLU A 2 8.693 -0.494 -13.881 1.00 0.00 C ATOM 213 C GLU A 2 9.678 0.137 -14.885 1.00 0.00 C ATOM 214 O GLU A 2 10.862 -0.179 -14.876 1.00 0.00 O ATOM 215 CB GLU A 2 9.184 -0.282 -12.429 1.00 0.00 C ATOM 216 CG GLU A 2 8.874 1.111 -11.857 1.00 0.00 C ATOM 217 CD GLU A 2 9.395 1.294 -10.424 1.00 0.00 C ATOM 218 OE1 GLU A 2 8.773 0.749 -9.485 1.00 0.00 O ATOM 219 OE2 GLU A 2 10.421 1.980 -10.230 1.00 0.00 O ATOM 0 H GLU A 2 9.330 -2.500 -13.922 1.00 0.00 H new ATOM 0 HA GLU A 2 7.726 -0.002 -13.987 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.726 -1.036 -11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.261 -0.446 -12.394 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.319 1.870 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.796 1.273 -11.871 1.00 0.00 H new ATOM 226 N LEU A 3 9.165 1.032 -15.733 1.00 0.00 N ATOM 227 CA LEU A 3 9.902 1.617 -16.869 1.00 0.00 C ATOM 228 C LEU A 3 10.369 3.040 -16.541 1.00 0.00 C ATOM 229 O LEU A 3 9.618 3.797 -15.929 1.00 0.00 O ATOM 230 CB LEU A 3 8.946 1.669 -18.081 1.00 0.00 C ATOM 231 CG LEU A 3 8.107 0.384 -18.327 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.077 0.622 -19.432 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.005 -0.825 -18.646 1.00 0.00 C ATOM 0 H LEU A 3 8.210 1.380 -15.653 1.00 0.00 H new ATOM 0 HA LEU A 3 10.780 1.008 -17.084 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.263 2.508 -17.947 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.533 1.876 -18.976 1.00 0.00 H new ATOM 0 HG LEU A 3 7.571 0.149 -17.407 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.498 -0.288 -19.592 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.408 1.431 -19.138 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.590 0.893 -20.355 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.384 -1.705 -18.812 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.589 -0.618 -19.543 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.679 -1.009 -17.809 1.00 0.00 H new ATOM 245 N GLU A 4 11.579 3.416 -16.991 1.00 0.00 N ATOM 246 CA GLU A 4 12.055 4.801 -16.884 1.00 0.00 C ATOM 247 C GLU A 4 11.623 5.571 -18.144 1.00 0.00 C ATOM 248 O GLU A 4 12.275 5.499 -19.185 1.00 0.00 O ATOM 249 CB GLU A 4 13.596 4.858 -16.684 1.00 0.00 C ATOM 250 CG GLU A 4 14.164 6.291 -16.525 1.00 0.00 C ATOM 251 CD GLU A 4 15.691 6.340 -16.294 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.449 5.794 -17.131 1.00 0.00 O ATOM 253 OE2 GLU A 4 16.143 6.922 -15.282 1.00 0.00 O ATOM 0 H GLU A 4 12.243 2.779 -17.431 1.00 0.00 H new ATOM 0 HA GLU A 4 11.611 5.268 -16.005 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.858 4.275 -15.801 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.079 4.380 -17.536 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.923 6.867 -17.418 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.664 6.778 -15.687 1.00 0.00 H new ATOM 260 N LEU A 5 10.508 6.303 -18.062 1.00 0.00 N ATOM 261 CA LEU A 5 9.961 7.015 -19.221 1.00 0.00 C ATOM 262 C LEU A 5 10.523 8.428 -19.225 1.00 0.00 C ATOM 263 O LEU A 5 10.123 9.279 -18.423 1.00 0.00 O ATOM 264 CB LEU A 5 8.419 7.022 -19.190 1.00 0.00 C ATOM 265 CG LEU A 5 7.736 5.637 -19.029 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.210 5.782 -19.039 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.205 4.637 -20.108 1.00 0.00 C ATOM 0 H LEU A 5 9.967 6.418 -17.205 1.00 0.00 H new ATOM 0 HA LEU A 5 10.253 6.506 -20.139 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.095 7.663 -18.370 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.059 7.478 -20.112 1.00 0.00 H new ATOM 0 HG LEU A 5 8.037 5.232 -18.063 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.750 4.800 -18.925 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.900 6.425 -18.216 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.893 6.224 -19.984 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.704 3.680 -19.960 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.960 5.026 -21.096 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.283 4.497 -20.031 1.00 0.00 H new ATOM 279 N ARG A 6 11.494 8.650 -20.111 1.00 0.00 N ATOM 280 CA ARG A 6 12.229 9.904 -20.192 1.00 0.00 C ATOM 281 C ARG A 6 11.588 10.780 -21.273 1.00 0.00 C ATOM 282 O ARG A 6 11.589 10.415 -22.436 1.00 0.00 O ATOM 283 CB ARG A 6 13.737 9.622 -20.491 1.00 0.00 C ATOM 284 CG ARG A 6 14.321 8.377 -19.764 1.00 0.00 C ATOM 285 CD ARG A 6 15.857 8.380 -19.661 1.00 0.00 C ATOM 286 NE ARG A 6 16.318 9.435 -18.733 1.00 0.00 N ATOM 287 CZ ARG A 6 17.295 9.311 -17.817 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.061 8.234 -17.772 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.507 10.292 -16.958 1.00 0.00 N ATOM 0 H ARG A 6 11.792 7.956 -20.797 1.00 0.00 H new ATOM 0 HA ARG A 6 12.182 10.435 -19.241 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.862 9.490 -21.566 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.320 10.498 -20.207 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.899 8.323 -18.760 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.004 7.478 -20.292 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.205 7.407 -19.314 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.292 8.541 -20.647 1.00 0.00 H new ATOM 0 HE ARG A 6 15.852 10.340 -18.793 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.916 7.477 -18.440 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.796 8.160 -17.069 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.932 11.134 -16.993 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.245 10.208 -16.260 1.00 0.00 H new ATOM 303 N PHE A 7 11.045 11.929 -20.873 1.00 0.00 N ATOM 304 CA PHE A 7 10.377 12.880 -21.779 1.00 0.00 C ATOM 305 C PHE A 7 11.302 14.056 -22.038 1.00 0.00 C ATOM 306 O PHE A 7 11.963 14.560 -21.122 1.00 0.00 O ATOM 307 CB PHE A 7 9.046 13.372 -21.166 1.00 0.00 C ATOM 308 CG PHE A 7 8.033 12.262 -20.963 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.066 11.479 -19.819 1.00 0.00 C ATOM 310 CD2 PHE A 7 7.063 11.985 -21.925 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.164 10.457 -19.643 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.159 10.956 -21.745 1.00 0.00 C ATOM 313 CZ PHE A 7 6.214 10.191 -20.602 1.00 0.00 C ATOM 0 H PHE A 7 11.053 12.235 -19.900 1.00 0.00 H new ATOM 0 HA PHE A 7 10.151 12.379 -22.720 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.250 13.848 -20.207 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.615 14.134 -21.815 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.808 11.674 -19.059 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.018 12.583 -22.823 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.201 9.858 -18.745 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.412 10.753 -22.498 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.512 9.383 -20.458 1.00 0.00 H new ATOM 323 N PHE A 8 11.360 14.480 -23.303 1.00 0.00 N ATOM 324 CA PHE A 8 12.198 15.602 -23.746 1.00 0.00 C ATOM 325 C PHE A 8 11.339 16.581 -24.555 1.00 0.00 C ATOM 326 O PHE A 8 10.232 16.224 -24.991 1.00 0.00 O ATOM 327 CB PHE A 8 13.405 15.077 -24.561 1.00 0.00 C ATOM 328 CG PHE A 8 14.240 14.033 -23.809 1.00 0.00 C ATOM 329 CD1 PHE A 8 15.261 14.411 -22.934 1.00 0.00 C ATOM 330 CD2 PHE A 8 13.981 12.670 -23.956 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.986 13.460 -22.235 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.711 11.728 -23.264 1.00 0.00 C ATOM 333 CZ PHE A 8 15.711 12.120 -22.400 1.00 0.00 C ATOM 0 H PHE A 8 10.823 14.052 -24.057 1.00 0.00 H new ATOM 0 HA PHE A 8 12.600 16.134 -22.884 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.043 14.640 -25.492 1.00 0.00 H new ATOM 0 HB3 PHE A 8 14.045 15.917 -24.831 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.488 15.458 -22.801 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.195 12.348 -24.623 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.769 13.770 -21.559 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.499 10.678 -23.399 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.277 11.379 -21.854 1.00 0.00 H new ATOM 343 N ALA A 9 11.824 17.835 -24.665 1.00 0.00 N ATOM 344 CA ALA A 9 11.185 18.904 -25.460 1.00 0.00 C ATOM 345 C ALA A 9 9.719 19.194 -24.993 1.00 0.00 C ATOM 346 O ALA A 9 9.485 19.323 -23.786 1.00 0.00 O ATOM 347 CB ALA A 9 11.302 18.575 -26.953 1.00 0.00 C ATOM 0 H ALA A 9 12.680 18.137 -24.199 1.00 0.00 H new ATOM 0 HA ALA A 9 11.717 19.840 -25.289 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.830 19.365 -27.538 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.354 18.500 -27.228 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.805 17.626 -27.157 1.00 0.00 H new ATOM 353 N THR A 10 8.748 19.304 -25.939 1.00 0.00 N ATOM 354 CA THR A 10 7.326 19.586 -25.627 1.00 0.00 C ATOM 355 C THR A 10 6.700 18.502 -24.716 1.00 0.00 C ATOM 356 O THR A 10 5.977 18.835 -23.786 1.00 0.00 O ATOM 357 CB THR A 10 6.486 19.738 -26.942 1.00 0.00 C ATOM 358 OG1 THR A 10 7.111 20.712 -27.796 1.00 0.00 O ATOM 359 CG2 THR A 10 5.026 20.162 -26.678 1.00 0.00 C ATOM 0 H THR A 10 8.932 19.199 -26.937 1.00 0.00 H new ATOM 0 HA THR A 10 7.304 20.528 -25.080 1.00 0.00 H new ATOM 0 HB THR A 10 6.458 18.758 -27.419 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.589 20.808 -28.620 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.496 20.251 -27.626 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.536 19.412 -26.057 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.014 21.123 -26.164 1.00 0.00 H new ATOM 367 N PHE A 11 7.013 17.210 -24.967 1.00 0.00 N ATOM 368 CA PHE A 11 6.472 16.094 -24.148 1.00 0.00 C ATOM 369 C PHE A 11 6.958 16.196 -22.678 1.00 0.00 C ATOM 370 O PHE A 11 6.257 15.769 -21.757 1.00 0.00 O ATOM 371 CB PHE A 11 6.865 14.704 -24.741 1.00 0.00 C ATOM 372 CG PHE A 11 6.172 14.290 -26.052 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.114 15.021 -26.600 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.578 13.133 -26.727 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.496 14.609 -27.768 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.957 12.730 -27.898 1.00 0.00 C ATOM 377 CZ PHE A 11 4.918 13.468 -28.414 1.00 0.00 C ATOM 0 H PHE A 11 7.631 16.913 -25.722 1.00 0.00 H new ATOM 0 HA PHE A 11 5.386 16.180 -24.167 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.942 14.698 -24.909 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.655 13.942 -23.990 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.774 15.919 -26.106 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.390 12.544 -26.328 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.678 15.185 -28.175 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.289 11.836 -28.405 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.433 13.153 -29.326 1.00 0.00 H new ATOM 387 N ARG A 12 8.158 16.788 -22.488 1.00 0.00 N ATOM 388 CA ARG A 12 8.783 16.953 -21.157 1.00 0.00 C ATOM 389 C ARG A 12 7.985 17.923 -20.276 1.00 0.00 C ATOM 390 O ARG A 12 7.606 17.585 -19.150 1.00 0.00 O ATOM 391 CB ARG A 12 10.225 17.473 -21.306 1.00 0.00 C ATOM 392 CG ARG A 12 11.004 17.630 -19.978 1.00 0.00 C ATOM 393 CD ARG A 12 12.236 18.546 -20.118 1.00 0.00 C ATOM 394 NE ARG A 12 11.866 19.911 -20.562 1.00 0.00 N ATOM 395 CZ ARG A 12 11.324 20.869 -19.786 1.00 0.00 C ATOM 396 NH1 ARG A 12 11.083 20.654 -18.498 1.00 0.00 N ATOM 397 NH2 ARG A 12 11.023 22.047 -20.310 1.00 0.00 N ATOM 0 H ARG A 12 8.720 17.164 -23.252 1.00 0.00 H new ATOM 0 HA ARG A 12 8.790 15.975 -20.676 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.776 16.792 -21.954 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.197 18.439 -21.810 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.338 18.036 -19.217 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.324 16.648 -19.630 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.755 18.604 -19.161 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.933 18.109 -20.833 1.00 0.00 H new ATOM 0 HE ARG A 12 12.037 20.145 -21.540 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.309 19.751 -18.081 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.672 21.392 -17.926 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.202 22.226 -21.298 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.612 22.775 -19.726 1.00 0.00 H new ATOM 411 N GLU A 13 7.738 19.133 -20.821 1.00 0.00 N ATOM 412 CA GLU A 13 7.067 20.231 -20.092 1.00 0.00 C ATOM 413 C GLU A 13 5.596 19.886 -19.785 1.00 0.00 C ATOM 414 O GLU A 13 5.032 20.377 -18.803 1.00 0.00 O ATOM 415 CB GLU A 13 7.176 21.557 -20.895 1.00 0.00 C ATOM 416 CG GLU A 13 6.503 21.524 -22.279 1.00 0.00 C ATOM 417 CD GLU A 13 6.646 22.831 -23.068 1.00 0.00 C ATOM 418 OE1 GLU A 13 5.865 23.771 -22.818 1.00 0.00 O ATOM 419 OE2 GLU A 13 7.542 22.930 -23.933 1.00 0.00 O ATOM 0 H GLU A 13 7.997 19.376 -21.777 1.00 0.00 H new ATOM 0 HA GLU A 13 7.574 20.364 -19.136 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.730 22.360 -20.308 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.230 21.803 -21.024 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.933 20.710 -22.862 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.444 21.301 -22.152 1.00 0.00 H new ATOM 426 N VAL A 14 5.000 19.040 -20.642 1.00 0.00 N ATOM 427 CA VAL A 14 3.650 18.488 -20.436 1.00 0.00 C ATOM 428 C VAL A 14 3.591 17.632 -19.153 1.00 0.00 C ATOM 429 O VAL A 14 2.733 17.844 -18.285 1.00 0.00 O ATOM 430 CB VAL A 14 3.217 17.632 -21.678 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.957 16.807 -21.372 1.00 0.00 C ATOM 432 CG2 VAL A 14 3.012 18.523 -22.931 1.00 0.00 C ATOM 0 H VAL A 14 5.444 18.718 -21.502 1.00 0.00 H new ATOM 0 HA VAL A 14 2.957 19.322 -20.321 1.00 0.00 H new ATOM 0 HB VAL A 14 4.026 16.935 -21.897 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.681 16.224 -22.251 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.157 16.134 -20.538 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.138 17.477 -21.109 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.713 17.901 -23.775 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.235 19.260 -22.730 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.944 19.034 -23.170 1.00 0.00 H new ATOM 442 N VAL A 15 4.514 16.667 -19.064 1.00 0.00 N ATOM 443 CA VAL A 15 4.635 15.772 -17.903 1.00 0.00 C ATOM 444 C VAL A 15 5.172 16.548 -16.683 1.00 0.00 C ATOM 445 O VAL A 15 4.908 16.185 -15.529 1.00 0.00 O ATOM 446 CB VAL A 15 5.536 14.526 -18.266 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.742 13.558 -17.069 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.923 13.767 -19.467 1.00 0.00 C ATOM 0 H VAL A 15 5.200 16.483 -19.796 1.00 0.00 H new ATOM 0 HA VAL A 15 3.650 15.391 -17.634 1.00 0.00 H new ATOM 0 HB VAL A 15 6.521 14.910 -18.531 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.369 12.722 -17.380 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.227 14.090 -16.250 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.775 13.181 -16.735 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.549 12.909 -19.713 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.922 13.424 -19.208 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.866 14.433 -20.328 1.00 0.00 H new ATOM 458 N GLY A 16 5.887 17.657 -16.974 1.00 0.00 N ATOM 459 CA GLY A 16 6.564 18.462 -15.957 1.00 0.00 C ATOM 460 C GLY A 16 7.784 17.763 -15.375 1.00 0.00 C ATOM 461 O GLY A 16 8.342 18.211 -14.368 1.00 0.00 O ATOM 0 H GLY A 16 6.005 18.012 -17.923 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.869 19.413 -16.395 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.863 18.691 -15.154 1.00 0.00 H new ATOM 465 N GLN A 17 8.190 16.655 -16.018 1.00 0.00 N ATOM 466 CA GLN A 17 9.245 15.758 -15.534 1.00 0.00 C ATOM 467 C GLN A 17 10.052 15.270 -16.756 1.00 0.00 C ATOM 468 O GLN A 17 9.450 14.907 -17.781 1.00 0.00 O ATOM 469 CB GLN A 17 8.624 14.541 -14.760 1.00 0.00 C ATOM 470 CG GLN A 17 7.471 14.892 -13.771 1.00 0.00 C ATOM 471 CD GLN A 17 6.947 13.720 -12.942 1.00 0.00 C ATOM 472 OE1 GLN A 17 7.483 13.410 -11.879 1.00 0.00 O ATOM 473 NE2 GLN A 17 5.881 13.079 -13.408 1.00 0.00 N ATOM 0 H GLN A 17 7.785 16.355 -16.905 1.00 0.00 H new ATOM 0 HA GLN A 17 9.898 16.287 -14.840 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.248 13.823 -15.489 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.418 14.044 -14.203 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.820 15.670 -13.092 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.642 15.314 -14.339 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.462 13.363 -14.294 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.482 12.303 -12.880 1.00 0.00 H new ATOM 482 N LYS A 18 11.401 15.260 -16.654 1.00 0.00 N ATOM 483 CA LYS A 18 12.282 14.857 -17.775 1.00 0.00 C ATOM 484 C LYS A 18 12.451 13.332 -17.847 1.00 0.00 C ATOM 485 O LYS A 18 12.800 12.799 -18.894 1.00 0.00 O ATOM 486 CB LYS A 18 13.670 15.540 -17.679 1.00 0.00 C ATOM 487 CG LYS A 18 14.533 15.132 -16.456 1.00 0.00 C ATOM 488 CD LYS A 18 15.982 15.666 -16.551 1.00 0.00 C ATOM 489 CE LYS A 18 16.743 15.110 -17.775 1.00 0.00 C ATOM 490 NZ LYS A 18 18.130 15.628 -17.870 1.00 0.00 N ATOM 0 H LYS A 18 11.903 15.526 -15.807 1.00 0.00 H new ATOM 0 HA LYS A 18 11.794 15.190 -18.691 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.229 15.316 -18.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.523 16.620 -17.654 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.069 15.510 -15.545 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.554 14.045 -16.376 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.961 16.754 -16.605 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.522 15.402 -15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.769 14.022 -17.718 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.200 15.369 -18.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.595 15.224 -18.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.109 16.665 -17.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.660 15.359 -17.017 1.00 0.00 H new ATOM 504 N SER A 19 12.259 12.649 -16.706 1.00 0.00 N ATOM 505 CA SER A 19 12.322 11.178 -16.606 1.00 0.00 C ATOM 506 C SER A 19 11.483 10.741 -15.393 1.00 0.00 C ATOM 507 O SER A 19 11.571 11.362 -14.326 1.00 0.00 O ATOM 508 CB SER A 19 13.784 10.685 -16.429 1.00 0.00 C ATOM 509 OG SER A 19 14.679 11.310 -17.346 1.00 0.00 O ATOM 0 H SER A 19 12.054 13.106 -15.817 1.00 0.00 H new ATOM 0 HA SER A 19 11.933 10.742 -17.526 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.112 10.886 -15.409 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.820 9.605 -16.568 1.00 0.00 H new ATOM 0 HG SER A 19 15.157 12.036 -16.893 1.00 0.00 H new ATOM 515 N ILE A 20 10.670 9.688 -15.566 1.00 0.00 N ATOM 516 CA ILE A 20 9.780 9.153 -14.509 1.00 0.00 C ATOM 517 C ILE A 20 9.929 7.631 -14.425 1.00 0.00 C ATOM 518 O ILE A 20 10.605 7.033 -15.257 1.00 0.00 O ATOM 519 CB ILE A 20 8.269 9.518 -14.786 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.746 8.837 -16.085 1.00 0.00 C ATOM 521 CG2 ILE A 20 8.087 11.040 -14.879 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.333 9.232 -16.487 1.00 0.00 C ATOM 0 H ILE A 20 10.607 9.176 -16.446 1.00 0.00 H new ATOM 0 HA ILE A 20 10.074 9.608 -13.563 1.00 0.00 H new ATOM 0 HB ILE A 20 7.683 9.142 -13.947 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.423 9.080 -16.904 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.782 7.756 -15.952 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.039 11.270 -15.070 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.394 11.501 -13.940 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.698 11.431 -15.692 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.055 8.709 -17.402 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.639 8.963 -15.690 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.290 10.308 -16.657 1.00 0.00 H new ATOM 534 N TYR A 21 9.300 7.017 -13.413 1.00 0.00 N ATOM 535 CA TYR A 21 9.180 5.553 -13.320 1.00 0.00 C ATOM 536 C TYR A 21 7.694 5.164 -13.227 1.00 0.00 C ATOM 537 O TYR A 21 7.007 5.476 -12.249 1.00 0.00 O ATOM 538 CB TYR A 21 9.997 4.988 -12.131 1.00 0.00 C ATOM 539 CG TYR A 21 11.525 5.047 -12.336 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.211 4.032 -13.028 1.00 0.00 C ATOM 541 CD2 TYR A 21 12.284 6.104 -11.830 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.580 4.080 -13.193 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.656 6.147 -11.996 1.00 0.00 C ATOM 544 CZ TYR A 21 14.298 5.134 -12.673 1.00 0.00 C ATOM 545 OH TYR A 21 15.666 5.176 -12.835 1.00 0.00 O ATOM 0 H TYR A 21 8.862 7.517 -12.639 1.00 0.00 H new ATOM 0 HA TYR A 21 9.601 5.108 -14.222 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.740 5.544 -11.230 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.703 3.952 -11.961 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.656 3.201 -13.437 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.790 6.904 -11.298 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.088 3.292 -13.729 1.00 0.00 H new ATOM 0 HE2 TYR A 21 14.223 6.974 -11.595 1.00 0.00 H new ATOM 0 HH TYR A 21 15.886 5.727 -13.615 1.00 0.00 H new ATOM 555 N TRP A 22 7.224 4.491 -14.281 1.00 0.00 N ATOM 556 CA TRP A 22 5.836 4.029 -14.441 1.00 0.00 C ATOM 557 C TRP A 22 5.762 2.537 -14.160 1.00 0.00 C ATOM 558 O TRP A 22 6.624 1.790 -14.604 1.00 0.00 O ATOM 559 CB TRP A 22 5.353 4.308 -15.898 1.00 0.00 C ATOM 560 CG TRP A 22 4.323 5.391 -16.040 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.331 6.635 -15.486 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.144 5.315 -16.833 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.229 7.337 -15.898 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.481 6.542 -16.725 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.587 4.312 -17.619 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.290 6.800 -17.393 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.407 4.560 -18.276 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.768 5.797 -18.160 1.00 0.00 C ATOM 0 H TRP A 22 7.816 4.243 -15.074 1.00 0.00 H new ATOM 0 HA TRP A 22 5.196 4.564 -13.740 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.219 4.572 -16.505 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.944 3.385 -16.310 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.093 7.012 -14.820 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.003 8.295 -15.632 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.075 3.353 -17.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.796 7.757 -17.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.967 3.789 -18.891 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.159 5.964 -18.688 1.00 0.00 H new ATOM 579 N ARG A 23 4.711 2.104 -13.468 1.00 0.00 N ATOM 580 CA ARG A 23 4.465 0.677 -13.234 1.00 0.00 C ATOM 581 C ARG A 23 3.268 0.220 -14.088 1.00 0.00 C ATOM 582 O ARG A 23 2.113 0.564 -13.807 1.00 0.00 O ATOM 583 CB ARG A 23 4.234 0.404 -11.723 1.00 0.00 C ATOM 584 CG ARG A 23 4.066 -1.094 -11.372 1.00 0.00 C ATOM 585 CD ARG A 23 5.327 -1.932 -11.655 1.00 0.00 C ATOM 586 NE ARG A 23 6.446 -1.636 -10.743 1.00 0.00 N ATOM 587 CZ ARG A 23 7.336 -2.545 -10.294 1.00 0.00 C ATOM 588 NH1 ARG A 23 7.236 -3.832 -10.626 1.00 0.00 N ATOM 589 NH2 ARG A 23 8.327 -2.152 -9.512 1.00 0.00 N ATOM 0 H ARG A 23 4.011 2.721 -13.056 1.00 0.00 H new ATOM 0 HA ARG A 23 5.340 0.100 -13.533 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.075 0.807 -11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.345 0.945 -11.398 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.806 -1.186 -10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.232 -1.502 -11.942 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.076 -2.990 -11.578 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.649 -1.755 -12.681 1.00 0.00 H new ATOM 0 HE ARG A 23 6.556 -0.672 -10.428 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.476 -4.145 -11.230 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.919 -4.504 -10.276 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.414 -1.169 -9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.005 -2.832 -9.167 1.00 0.00 H new ATOM 603 N VAL A 24 3.578 -0.540 -15.151 1.00 0.00 N ATOM 604 CA VAL A 24 2.581 -1.162 -16.052 1.00 0.00 C ATOM 605 C VAL A 24 2.664 -2.689 -15.916 1.00 0.00 C ATOM 606 O VAL A 24 3.452 -3.195 -15.122 1.00 0.00 O ATOM 607 CB VAL A 24 2.803 -0.746 -17.564 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.591 0.769 -17.771 1.00 0.00 C ATOM 609 CG2 VAL A 24 4.192 -1.191 -18.079 1.00 0.00 C ATOM 0 H VAL A 24 4.541 -0.745 -15.417 1.00 0.00 H new ATOM 0 HA VAL A 24 1.593 -0.807 -15.759 1.00 0.00 H new ATOM 0 HB VAL A 24 2.051 -1.269 -18.155 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.751 1.019 -18.820 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.573 1.036 -17.486 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.298 1.323 -17.154 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.308 -0.888 -19.120 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.970 -0.724 -17.476 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.277 -2.275 -18.005 1.00 0.00 H new ATOM 619 N ASP A 25 1.830 -3.406 -16.678 1.00 0.00 N ATOM 620 CA ASP A 25 1.888 -4.880 -16.773 1.00 0.00 C ATOM 621 C ASP A 25 3.077 -5.304 -17.671 1.00 0.00 C ATOM 622 O ASP A 25 3.512 -4.536 -18.533 1.00 0.00 O ATOM 623 CB ASP A 25 0.537 -5.413 -17.321 1.00 0.00 C ATOM 624 CG ASP A 25 0.462 -6.953 -17.416 1.00 0.00 C ATOM 625 OD1 ASP A 25 0.158 -7.607 -16.396 1.00 0.00 O ATOM 626 OD2 ASP A 25 0.694 -7.506 -18.517 1.00 0.00 O ATOM 0 H ASP A 25 1.095 -2.987 -17.248 1.00 0.00 H new ATOM 0 HA ASP A 25 2.050 -5.312 -15.785 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.269 -5.059 -16.678 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.365 -4.989 -18.310 1.00 0.00 H new ATOM 631 N ASP A 26 3.589 -6.528 -17.456 1.00 0.00 N ATOM 632 CA ASP A 26 4.786 -7.061 -18.149 1.00 0.00 C ATOM 633 C ASP A 26 4.577 -7.173 -19.673 1.00 0.00 C ATOM 634 O ASP A 26 5.491 -6.881 -20.457 1.00 0.00 O ATOM 635 CB ASP A 26 5.152 -8.445 -17.553 1.00 0.00 C ATOM 636 CG ASP A 26 6.320 -9.154 -18.273 1.00 0.00 C ATOM 637 OD1 ASP A 26 7.479 -8.724 -18.112 1.00 0.00 O ATOM 638 OD2 ASP A 26 6.081 -10.147 -18.997 1.00 0.00 O ATOM 0 H ASP A 26 3.183 -7.186 -16.790 1.00 0.00 H new ATOM 0 HA ASP A 26 5.605 -6.359 -17.991 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.411 -8.319 -16.502 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.273 -9.088 -17.590 1.00 0.00 H new ATOM 643 N ASP A 27 3.357 -7.559 -20.073 1.00 0.00 N ATOM 644 CA ASP A 27 3.020 -7.862 -21.478 1.00 0.00 C ATOM 645 C ASP A 27 2.748 -6.562 -22.267 1.00 0.00 C ATOM 646 O ASP A 27 2.720 -6.578 -23.504 1.00 0.00 O ATOM 647 CB ASP A 27 1.789 -8.813 -21.521 1.00 0.00 C ATOM 648 CG ASP A 27 1.397 -9.260 -22.946 1.00 0.00 C ATOM 649 OD1 ASP A 27 2.098 -10.122 -23.515 1.00 0.00 O ATOM 650 OD2 ASP A 27 0.395 -8.751 -23.496 1.00 0.00 O ATOM 0 H ASP A 27 2.572 -7.671 -19.432 1.00 0.00 H new ATOM 0 HA ASP A 27 3.866 -8.361 -21.951 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.003 -9.696 -20.919 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.938 -8.312 -21.060 1.00 0.00 H new ATOM 655 N ALA A 28 2.586 -5.434 -21.545 1.00 0.00 N ATOM 656 CA ALA A 28 2.473 -4.098 -22.161 1.00 0.00 C ATOM 657 C ALA A 28 3.769 -3.758 -22.915 1.00 0.00 C ATOM 658 O ALA A 28 4.856 -4.132 -22.484 1.00 0.00 O ATOM 659 CB ALA A 28 2.170 -3.029 -21.095 1.00 0.00 C ATOM 0 H ALA A 28 2.530 -5.424 -20.527 1.00 0.00 H new ATOM 0 HA ALA A 28 1.645 -4.109 -22.870 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.091 -2.052 -21.572 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.230 -3.267 -20.598 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.975 -3.010 -20.360 1.00 0.00 H new ATOM 665 N THR A 29 3.650 -3.085 -24.060 1.00 0.00 N ATOM 666 CA THR A 29 4.815 -2.678 -24.872 1.00 0.00 C ATOM 667 C THR A 29 4.853 -1.142 -24.983 1.00 0.00 C ATOM 668 O THR A 29 4.022 -0.464 -24.374 1.00 0.00 O ATOM 669 CB THR A 29 4.795 -3.342 -26.288 1.00 0.00 C ATOM 670 OG1 THR A 29 3.654 -2.901 -27.031 1.00 0.00 O ATOM 671 CG2 THR A 29 4.772 -4.878 -26.202 1.00 0.00 C ATOM 0 H THR A 29 2.753 -2.804 -24.455 1.00 0.00 H new ATOM 0 HA THR A 29 5.720 -3.024 -24.373 1.00 0.00 H new ATOM 0 HB THR A 29 5.711 -3.038 -26.795 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.941 -2.283 -27.735 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.759 -5.299 -27.208 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.660 -5.226 -25.675 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.881 -5.199 -25.663 1.00 0.00 H new ATOM 679 N VAL A 30 5.832 -0.617 -25.754 1.00 0.00 N ATOM 680 CA VAL A 30 6.079 0.842 -25.911 1.00 0.00 C ATOM 681 C VAL A 30 4.793 1.593 -26.335 1.00 0.00 C ATOM 682 O VAL A 30 4.528 2.703 -25.861 1.00 0.00 O ATOM 683 CB VAL A 30 7.257 1.098 -26.932 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.488 2.612 -27.197 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.568 0.421 -26.442 1.00 0.00 C ATOM 0 H VAL A 30 6.480 -1.194 -26.290 1.00 0.00 H new ATOM 0 HA VAL A 30 6.378 1.239 -24.941 1.00 0.00 H new ATOM 0 HB VAL A 30 6.962 0.647 -27.879 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.307 2.737 -27.905 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.581 3.051 -27.611 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.738 3.111 -26.261 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.366 0.610 -27.160 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.849 0.831 -25.472 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.410 -0.654 -26.350 1.00 0.00 H new ATOM 695 N GLY A 31 3.978 0.921 -27.159 1.00 0.00 N ATOM 696 CA GLY A 31 2.705 1.448 -27.638 1.00 0.00 C ATOM 697 C GLY A 31 1.635 1.524 -26.553 1.00 0.00 C ATOM 698 O GLY A 31 0.921 2.521 -26.452 1.00 0.00 O ATOM 0 H GLY A 31 4.191 -0.012 -27.512 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.865 2.444 -28.051 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.343 0.820 -28.452 1.00 0.00 H new ATOM 702 N ASP A 32 1.531 0.453 -25.737 1.00 0.00 N ATOM 703 CA ASP A 32 0.586 0.387 -24.588 1.00 0.00 C ATOM 704 C ASP A 32 0.893 1.491 -23.565 1.00 0.00 C ATOM 705 O ASP A 32 -0.006 2.014 -22.901 1.00 0.00 O ATOM 706 CB ASP A 32 0.662 -0.992 -23.877 1.00 0.00 C ATOM 707 CG ASP A 32 0.290 -2.172 -24.786 1.00 0.00 C ATOM 708 OD1 ASP A 32 1.061 -2.474 -25.718 1.00 0.00 O ATOM 709 OD2 ASP A 32 -0.763 -2.808 -24.575 1.00 0.00 O ATOM 0 H ASP A 32 2.095 -0.390 -25.851 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.418 0.529 -24.988 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.673 -1.141 -23.498 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.004 -0.984 -23.014 1.00 0.00 H new ATOM 714 N VAL A 33 2.183 1.817 -23.449 1.00 0.00 N ATOM 715 CA VAL A 33 2.693 2.868 -22.564 1.00 0.00 C ATOM 716 C VAL A 33 2.212 4.249 -23.020 1.00 0.00 C ATOM 717 O VAL A 33 1.481 4.915 -22.281 1.00 0.00 O ATOM 718 CB VAL A 33 4.263 2.789 -22.518 1.00 0.00 C ATOM 719 CG1 VAL A 33 4.909 4.011 -21.833 1.00 0.00 C ATOM 720 CG2 VAL A 33 4.697 1.475 -21.840 1.00 0.00 C ATOM 0 H VAL A 33 2.918 1.348 -23.979 1.00 0.00 H new ATOM 0 HA VAL A 33 2.305 2.713 -21.557 1.00 0.00 H new ATOM 0 HB VAL A 33 4.622 2.801 -23.547 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.993 3.897 -21.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.639 4.917 -22.376 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.552 4.083 -20.806 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.785 1.423 -21.810 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.304 1.443 -20.824 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.309 0.628 -22.406 1.00 0.00 H new ATOM 730 N LEU A 34 2.573 4.647 -24.254 1.00 0.00 N ATOM 731 CA LEU A 34 2.229 5.981 -24.784 1.00 0.00 C ATOM 732 C LEU A 34 0.699 6.152 -24.956 1.00 0.00 C ATOM 733 O LEU A 34 0.169 7.254 -24.779 1.00 0.00 O ATOM 734 CB LEU A 34 3.066 6.333 -26.066 1.00 0.00 C ATOM 735 CG LEU A 34 3.188 5.268 -27.209 1.00 0.00 C ATOM 736 CD1 LEU A 34 1.945 5.216 -28.108 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.466 5.501 -28.054 1.00 0.00 C ATOM 0 H LEU A 34 3.102 4.065 -24.903 1.00 0.00 H new ATOM 0 HA LEU A 34 2.519 6.725 -24.042 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.637 7.236 -26.501 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.076 6.584 -25.741 1.00 0.00 H new ATOM 0 HG LEU A 34 3.265 4.297 -26.719 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.087 4.461 -28.881 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.072 4.961 -27.507 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.793 6.189 -28.575 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.525 4.748 -28.840 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.429 6.493 -28.504 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.345 5.427 -27.413 1.00 0.00 H new ATOM 749 N ARG A 35 -0.022 5.045 -25.231 1.00 0.00 N ATOM 750 CA ARG A 35 -1.501 5.068 -25.326 1.00 0.00 C ATOM 751 C ARG A 35 -2.115 5.428 -23.949 1.00 0.00 C ATOM 752 O ARG A 35 -3.149 6.093 -23.868 1.00 0.00 O ATOM 753 CB ARG A 35 -2.060 3.712 -25.909 1.00 0.00 C ATOM 754 CG ARG A 35 -2.509 2.609 -24.898 1.00 0.00 C ATOM 755 CD ARG A 35 -3.997 2.710 -24.498 1.00 0.00 C ATOM 756 NE ARG A 35 -4.349 1.791 -23.397 1.00 0.00 N ATOM 757 CZ ARG A 35 -5.488 1.831 -22.684 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.392 2.787 -22.884 1.00 0.00 N ATOM 759 NH2 ARG A 35 -5.702 0.919 -21.750 1.00 0.00 N ATOM 0 H ARG A 35 0.392 4.127 -25.391 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.800 5.844 -26.030 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.913 3.948 -26.546 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.291 3.283 -26.552 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.324 1.628 -25.337 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.894 2.678 -24.001 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.221 3.734 -24.198 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.619 2.488 -25.365 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.672 1.066 -23.158 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.227 3.506 -23.588 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.250 2.801 -22.333 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.006 0.194 -21.576 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.563 0.941 -21.204 1.00 0.00 H new ATOM 773 N SER A 36 -1.484 4.936 -22.878 1.00 0.00 N ATOM 774 CA SER A 36 -1.866 5.247 -21.496 1.00 0.00 C ATOM 775 C SER A 36 -1.415 6.674 -21.081 1.00 0.00 C ATOM 776 O SER A 36 -2.090 7.330 -20.283 1.00 0.00 O ATOM 777 CB SER A 36 -1.321 4.167 -20.547 1.00 0.00 C ATOM 778 OG SER A 36 -1.853 2.892 -20.863 1.00 0.00 O ATOM 0 H SER A 36 -0.686 4.305 -22.946 1.00 0.00 H new ATOM 0 HA SER A 36 -2.954 5.242 -21.427 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.233 4.137 -20.613 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.571 4.424 -19.518 1.00 0.00 H new ATOM 0 HG SER A 36 -1.317 2.481 -21.573 1.00 0.00 H new ATOM 784 N LEU A 37 -0.258 7.139 -21.606 1.00 0.00 N ATOM 785 CA LEU A 37 0.319 8.469 -21.254 1.00 0.00 C ATOM 786 C LEU A 37 -0.600 9.636 -21.670 1.00 0.00 C ATOM 787 O LEU A 37 -0.688 10.632 -20.952 1.00 0.00 O ATOM 788 CB LEU A 37 1.753 8.652 -21.868 1.00 0.00 C ATOM 789 CG LEU A 37 2.963 8.414 -20.915 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.875 9.297 -19.650 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.119 6.937 -20.560 1.00 0.00 C ATOM 0 H LEU A 37 0.301 6.614 -22.279 1.00 0.00 H new ATOM 0 HA LEU A 37 0.403 8.491 -20.167 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.849 7.972 -22.715 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.826 9.665 -22.263 1.00 0.00 H new ATOM 0 HG LEU A 37 3.861 8.713 -21.455 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.736 9.103 -19.010 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.868 10.348 -19.940 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.959 9.064 -19.107 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.973 6.811 -19.894 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.216 6.585 -20.062 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.280 6.359 -21.470 1.00 0.00 H new ATOM 803 N GLU A 38 -1.262 9.516 -22.836 1.00 0.00 N ATOM 804 CA GLU A 38 -2.241 10.535 -23.302 1.00 0.00 C ATOM 805 C GLU A 38 -3.523 10.514 -22.459 1.00 0.00 C ATOM 806 O GLU A 38 -4.204 11.539 -22.313 1.00 0.00 O ATOM 807 CB GLU A 38 -2.561 10.348 -24.808 1.00 0.00 C ATOM 808 CG GLU A 38 -2.914 8.902 -25.267 1.00 0.00 C ATOM 809 CD GLU A 38 -4.424 8.625 -25.442 1.00 0.00 C ATOM 810 OE1 GLU A 38 -5.126 8.392 -24.443 1.00 0.00 O ATOM 811 OE2 GLU A 38 -4.918 8.656 -26.589 1.00 0.00 O ATOM 0 H GLU A 38 -1.143 8.730 -23.475 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.782 11.515 -23.172 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.396 11.001 -25.063 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.701 10.689 -25.385 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.411 8.704 -26.214 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.512 8.197 -24.539 1.00 0.00 H new ATOM 818 N ALA A 39 -3.835 9.334 -21.916 1.00 0.00 N ATOM 819 CA ALA A 39 -5.005 9.127 -21.060 1.00 0.00 C ATOM 820 C ALA A 39 -4.819 9.806 -19.691 1.00 0.00 C ATOM 821 O ALA A 39 -5.799 10.130 -19.016 1.00 0.00 O ATOM 822 CB ALA A 39 -5.265 7.625 -20.901 1.00 0.00 C ATOM 0 H ALA A 39 -3.279 8.491 -22.059 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.873 9.587 -21.533 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.136 7.472 -20.264 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.449 7.182 -21.880 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.395 7.151 -20.446 1.00 0.00 H new ATOM 828 N GLU A 40 -3.549 10.006 -19.287 1.00 0.00 N ATOM 829 CA GLU A 40 -3.213 10.744 -18.061 1.00 0.00 C ATOM 830 C GLU A 40 -3.095 12.237 -18.373 1.00 0.00 C ATOM 831 O GLU A 40 -3.831 13.072 -17.835 1.00 0.00 O ATOM 832 CB GLU A 40 -1.853 10.263 -17.505 1.00 0.00 C ATOM 833 CG GLU A 40 -1.737 8.765 -17.272 1.00 0.00 C ATOM 834 CD GLU A 40 -2.614 8.240 -16.127 1.00 0.00 C ATOM 835 OE1 GLU A 40 -2.181 8.318 -14.957 1.00 0.00 O ATOM 836 OE2 GLU A 40 -3.736 7.752 -16.379 1.00 0.00 O ATOM 0 H GLU A 40 -2.736 9.663 -19.799 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.000 10.568 -17.328 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.068 10.568 -18.197 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.663 10.776 -16.562 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.006 8.243 -18.190 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.696 8.520 -17.060 1.00 0.00 H new ATOM 843 N TYR A 41 -2.159 12.542 -19.285 1.00 0.00 N ATOM 844 CA TYR A 41 -1.730 13.902 -19.596 1.00 0.00 C ATOM 845 C TYR A 41 -2.446 14.406 -20.856 1.00 0.00 C ATOM 846 O TYR A 41 -2.275 13.844 -21.947 1.00 0.00 O ATOM 847 CB TYR A 41 -0.195 13.963 -19.782 1.00 0.00 C ATOM 848 CG TYR A 41 0.612 13.642 -18.507 1.00 0.00 C ATOM 849 CD1 TYR A 41 1.013 12.334 -18.203 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.989 14.655 -17.614 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.751 12.054 -17.057 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.727 14.376 -16.472 1.00 0.00 C ATOM 853 CZ TYR A 41 2.106 13.076 -16.200 1.00 0.00 C ATOM 854 OH TYR A 41 2.843 12.798 -15.061 1.00 0.00 O ATOM 0 H TYR A 41 -1.674 11.832 -19.834 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.996 14.549 -18.760 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.092 13.262 -20.566 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.078 14.959 -20.129 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.744 11.529 -18.870 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.699 15.675 -17.819 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.046 11.038 -16.838 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.004 15.173 -15.798 1.00 0.00 H new ATOM 0 HH TYR A 41 3.009 13.629 -14.568 1.00 0.00 H new ATOM 864 N ASP A 42 -3.224 15.479 -20.684 1.00 0.00 N ATOM 865 CA ASP A 42 -4.029 16.098 -21.754 1.00 0.00 C ATOM 866 C ASP A 42 -3.117 16.725 -22.827 1.00 0.00 C ATOM 867 O ASP A 42 -3.493 16.817 -23.999 1.00 0.00 O ATOM 868 CB ASP A 42 -4.964 17.186 -21.156 1.00 0.00 C ATOM 869 CG ASP A 42 -5.776 16.683 -19.946 1.00 0.00 C ATOM 870 OD1 ASP A 42 -5.230 16.688 -18.816 1.00 0.00 O ATOM 871 OD2 ASP A 42 -6.944 16.261 -20.116 1.00 0.00 O ATOM 0 H ASP A 42 -3.317 15.953 -19.786 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.634 15.322 -22.222 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.365 18.045 -20.853 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.650 17.532 -21.929 1.00 0.00 H new ATOM 876 N GLY A 43 -1.908 17.155 -22.397 1.00 0.00 N ATOM 877 CA GLY A 43 -0.922 17.774 -23.289 1.00 0.00 C ATOM 878 C GLY A 43 -0.148 16.775 -24.139 1.00 0.00 C ATOM 879 O GLY A 43 0.623 17.187 -25.002 1.00 0.00 O ATOM 0 H GLY A 43 -1.598 17.080 -21.428 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.432 18.478 -23.947 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.217 18.351 -22.691 1.00 0.00 H new ATOM 883 N LEU A 44 -0.294 15.462 -23.853 1.00 0.00 N ATOM 884 CA LEU A 44 0.310 14.385 -24.672 1.00 0.00 C ATOM 885 C LEU A 44 -0.699 13.835 -25.697 1.00 0.00 C ATOM 886 O LEU A 44 -0.324 13.053 -26.563 1.00 0.00 O ATOM 887 CB LEU A 44 0.819 13.229 -23.773 1.00 0.00 C ATOM 888 CG LEU A 44 2.045 13.540 -22.863 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.426 12.340 -21.980 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.249 14.010 -23.698 1.00 0.00 C ATOM 0 H LEU A 44 -0.829 15.120 -23.055 1.00 0.00 H new ATOM 0 HA LEU A 44 1.154 14.817 -25.209 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.004 12.905 -23.136 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.076 12.386 -24.415 1.00 0.00 H new ATOM 0 HG LEU A 44 1.752 14.352 -22.198 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.285 12.601 -21.362 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.584 12.078 -21.339 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.679 11.489 -22.612 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.090 14.220 -23.037 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.529 13.229 -24.405 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.982 14.915 -24.244 1.00 0.00 H new ATOM 902 N ALA A 45 -1.955 14.279 -25.608 1.00 0.00 N ATOM 903 CA ALA A 45 -3.078 13.716 -26.385 1.00 0.00 C ATOM 904 C ALA A 45 -2.930 13.945 -27.914 1.00 0.00 C ATOM 905 O ALA A 45 -2.756 15.087 -28.365 1.00 0.00 O ATOM 906 CB ALA A 45 -4.379 14.343 -25.884 1.00 0.00 C ATOM 0 H ALA A 45 -2.230 15.044 -24.992 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.083 12.636 -26.235 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.219 13.938 -26.448 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.509 14.115 -24.826 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.338 15.424 -26.020 1.00 0.00 H new ATOM 912 N GLY A 46 -2.979 12.839 -28.688 1.00 0.00 N ATOM 913 CA GLY A 46 -3.041 12.886 -30.166 1.00 0.00 C ATOM 914 C GLY A 46 -1.716 13.199 -30.862 1.00 0.00 C ATOM 915 O GLY A 46 -1.687 13.389 -32.082 1.00 0.00 O ATOM 0 H GLY A 46 -2.977 11.892 -28.308 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.406 11.925 -30.529 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.774 13.637 -30.460 1.00 0.00 H new ATOM 919 N ARG A 47 -0.613 13.225 -30.104 1.00 0.00 N ATOM 920 CA ARG A 47 0.724 13.624 -30.624 1.00 0.00 C ATOM 921 C ARG A 47 1.785 12.546 -30.367 1.00 0.00 C ATOM 922 O ARG A 47 2.814 12.517 -31.049 1.00 0.00 O ATOM 923 CB ARG A 47 1.143 15.003 -30.037 1.00 0.00 C ATOM 924 CG ARG A 47 0.731 15.208 -28.572 1.00 0.00 C ATOM 925 CD ARG A 47 1.222 16.517 -27.944 1.00 0.00 C ATOM 926 NE ARG A 47 1.002 17.704 -28.804 1.00 0.00 N ATOM 927 CZ ARG A 47 0.705 18.941 -28.364 1.00 0.00 C ATOM 928 NH1 ARG A 47 0.616 19.206 -27.066 1.00 0.00 N ATOM 929 NH2 ARG A 47 0.529 19.916 -29.233 1.00 0.00 N ATOM 0 H ARG A 47 -0.609 12.973 -29.116 1.00 0.00 H new ATOM 0 HA ARG A 47 0.648 13.726 -31.707 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.225 15.107 -30.118 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.700 15.794 -30.643 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.357 15.176 -28.507 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.110 14.374 -27.982 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.712 16.668 -26.993 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.286 16.429 -27.725 1.00 0.00 H new ATOM 0 HE ARG A 47 1.082 17.573 -29.812 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.774 18.466 -26.382 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.390 20.150 -26.753 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.618 19.731 -30.232 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.304 20.856 -28.906 1.00 0.00 H new ATOM 943 N LEU A 48 1.541 11.676 -29.371 1.00 0.00 N ATOM 944 CA LEU A 48 2.392 10.488 -29.116 1.00 0.00 C ATOM 945 C LEU A 48 1.786 9.230 -29.777 1.00 0.00 C ATOM 946 O LEU A 48 2.335 8.133 -29.656 1.00 0.00 O ATOM 947 CB LEU A 48 2.628 10.293 -27.582 1.00 0.00 C ATOM 948 CG LEU A 48 1.510 9.651 -26.685 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.802 9.897 -25.188 1.00 0.00 C ATOM 950 CD2 LEU A 48 0.093 10.080 -27.058 1.00 0.00 C ATOM 0 H LEU A 48 0.758 11.770 -28.724 1.00 0.00 H new ATOM 0 HA LEU A 48 3.368 10.653 -29.572 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.524 9.682 -27.468 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.855 11.273 -27.163 1.00 0.00 H new ATOM 0 HG LEU A 48 1.544 8.579 -26.879 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.015 9.444 -24.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.762 9.452 -24.927 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.835 10.969 -24.995 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.621 9.594 -26.393 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.003 11.162 -26.960 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.115 9.791 -28.088 1.00 0.00 H new ATOM 962 N ILE A 49 0.623 9.421 -30.446 1.00 0.00 N ATOM 963 CA ILE A 49 -0.049 8.411 -31.292 1.00 0.00 C ATOM 964 C ILE A 49 -0.509 9.091 -32.602 1.00 0.00 C ATOM 965 O ILE A 49 -0.882 10.271 -32.593 1.00 0.00 O ATOM 966 CB ILE A 49 -1.294 7.756 -30.582 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.868 6.950 -29.331 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.106 6.848 -31.551 1.00 0.00 C ATOM 969 CD1 ILE A 49 -2.002 6.259 -28.609 1.00 0.00 C ATOM 0 H ILE A 49 0.115 10.305 -30.410 1.00 0.00 H new ATOM 0 HA ILE A 49 0.666 7.613 -31.490 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.941 8.575 -30.267 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.136 6.200 -29.631 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.368 7.623 -28.634 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.955 6.417 -31.020 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.467 7.443 -32.390 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.466 6.048 -31.922 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.609 5.720 -27.747 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.726 7.002 -28.274 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.489 5.557 -29.285 1.00 0.00 H new ATOM 981 N GLU A 50 -0.470 8.338 -33.717 1.00 0.00 N ATOM 982 CA GLU A 50 -1.092 8.729 -35.000 1.00 0.00 C ATOM 983 C GLU A 50 -1.340 7.474 -35.834 1.00 0.00 C ATOM 984 O GLU A 50 -0.424 6.684 -36.005 1.00 0.00 O ATOM 985 CB GLU A 50 -0.188 9.706 -35.783 1.00 0.00 C ATOM 986 CG GLU A 50 -0.733 10.197 -37.145 1.00 0.00 C ATOM 987 CD GLU A 50 -2.049 10.979 -37.037 1.00 0.00 C ATOM 988 OE1 GLU A 50 -2.039 12.094 -36.466 1.00 0.00 O ATOM 989 OE2 GLU A 50 -3.090 10.496 -37.522 1.00 0.00 O ATOM 0 H GLU A 50 -0.002 7.432 -33.755 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.035 9.236 -34.793 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.000 10.577 -35.155 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.774 9.222 -35.953 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.017 10.829 -37.620 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.884 9.337 -37.797 1.00 0.00 H new ATOM 996 N ASP A 51 -2.586 7.292 -36.319 1.00 0.00 N ATOM 997 CA ASP A 51 -2.963 6.174 -37.237 1.00 0.00 C ATOM 998 C ASP A 51 -2.631 4.787 -36.609 1.00 0.00 C ATOM 999 O ASP A 51 -2.339 3.801 -37.294 1.00 0.00 O ATOM 1000 CB ASP A 51 -2.262 6.400 -38.620 1.00 0.00 C ATOM 1001 CG ASP A 51 -2.677 5.415 -39.730 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -3.897 5.220 -39.948 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -1.789 4.850 -40.398 1.00 0.00 O ATOM 0 H ASP A 51 -3.365 7.910 -36.091 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.041 6.172 -37.396 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.476 7.414 -38.957 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.183 6.331 -38.479 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.718 4.734 -35.263 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.470 3.510 -34.503 1.00 0.00 C ATOM 1010 C GLY A 52 -0.993 3.221 -34.217 1.00 0.00 C ATOM 1011 O GLY A 52 -0.694 2.358 -33.388 1.00 0.00 O ATOM 0 H GLY A 52 -2.961 5.538 -34.684 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.004 3.573 -33.555 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.891 2.667 -35.051 1.00 0.00 H new ATOM 1015 N GLU A 53 -0.070 3.915 -34.912 1.00 0.00 N ATOM 1016 CA GLU A 53 1.384 3.815 -34.649 1.00 0.00 C ATOM 1017 C GLU A 53 1.827 4.941 -33.696 1.00 0.00 C ATOM 1018 O GLU A 53 0.985 5.676 -33.173 1.00 0.00 O ATOM 1019 CB GLU A 53 2.217 3.877 -35.958 1.00 0.00 C ATOM 1020 CG GLU A 53 2.102 5.212 -36.727 1.00 0.00 C ATOM 1021 CD GLU A 53 3.269 5.470 -37.688 1.00 0.00 C ATOM 1022 OE1 GLU A 53 4.322 5.978 -37.228 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.146 5.154 -38.896 1.00 0.00 O ATOM 0 H GLU A 53 -0.307 4.558 -35.668 1.00 0.00 H new ATOM 0 HA GLU A 53 1.566 2.846 -34.185 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.265 3.701 -35.716 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.901 3.066 -36.614 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.170 5.217 -37.292 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.045 6.031 -36.010 1.00 0.00 H new ATOM 1030 N VAL A 54 3.159 5.041 -33.471 1.00 0.00 N ATOM 1031 CA VAL A 54 3.737 6.074 -32.596 1.00 0.00 C ATOM 1032 C VAL A 54 3.408 7.510 -33.102 1.00 0.00 C ATOM 1033 O VAL A 54 2.838 8.258 -32.347 1.00 0.00 O ATOM 1034 CB VAL A 54 5.300 5.880 -32.397 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.612 4.601 -31.573 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.061 5.843 -33.749 1.00 0.00 C ATOM 0 H VAL A 54 3.849 4.415 -33.887 1.00 0.00 H new ATOM 0 HA VAL A 54 3.269 5.954 -31.619 1.00 0.00 H new ATOM 0 HB VAL A 54 5.651 6.748 -31.839 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.691 4.498 -31.455 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.146 4.678 -30.591 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.219 3.728 -32.094 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.127 5.709 -33.563 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.691 5.014 -34.352 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.901 6.780 -34.282 1.00 0.00 H new ATOM 1046 N LYS A 55 3.739 7.836 -34.387 1.00 0.00 N ATOM 1047 CA LYS A 55 3.480 9.151 -35.066 1.00 0.00 C ATOM 1048 C LYS A 55 4.584 9.372 -36.120 1.00 0.00 C ATOM 1049 O LYS A 55 5.756 9.084 -35.852 1.00 0.00 O ATOM 1050 CB LYS A 55 3.407 10.382 -34.075 1.00 0.00 C ATOM 1051 CG LYS A 55 3.544 11.819 -34.663 1.00 0.00 C ATOM 1052 CD LYS A 55 2.216 12.412 -35.196 1.00 0.00 C ATOM 1053 CE LYS A 55 1.171 12.598 -34.083 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.107 13.173 -34.579 1.00 0.00 N ATOM 0 H LYS A 55 4.209 7.171 -35.002 1.00 0.00 H new ATOM 0 HA LYS A 55 2.494 9.097 -35.528 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.454 10.328 -33.549 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.190 10.253 -33.328 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.941 12.479 -33.892 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.273 11.801 -35.473 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.414 13.374 -35.669 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.811 11.755 -35.966 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.972 11.634 -33.614 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.581 13.250 -33.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.784 13.244 -33.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.068 14.120 -34.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.500 12.558 -35.320 1.00 0.00 H new ATOM 1068 N PRO A 56 4.226 9.851 -37.343 1.00 0.00 N ATOM 1069 CA PRO A 56 5.209 10.408 -38.308 1.00 0.00 C ATOM 1070 C PRO A 56 6.004 11.597 -37.708 1.00 0.00 C ATOM 1071 O PRO A 56 5.403 12.548 -37.194 1.00 0.00 O ATOM 1072 CB PRO A 56 4.318 10.866 -39.505 1.00 0.00 C ATOM 1073 CG PRO A 56 2.926 10.930 -38.944 1.00 0.00 C ATOM 1074 CD PRO A 56 2.863 9.828 -37.925 1.00 0.00 C ATOM 0 HA PRO A 56 5.971 9.683 -38.593 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.636 11.836 -39.886 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.378 10.162 -40.335 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.729 11.900 -38.488 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.179 10.788 -39.725 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.097 10.015 -37.172 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.633 8.865 -38.382 1.00 0.00 H new ATOM 1082 N HIS A 57 7.347 11.489 -37.750 1.00 0.00 N ATOM 1083 CA HIS A 57 8.311 12.543 -37.328 1.00 0.00 C ATOM 1084 C HIS A 57 8.551 12.599 -35.801 1.00 0.00 C ATOM 1085 O HIS A 57 9.459 13.315 -35.365 1.00 0.00 O ATOM 1086 CB HIS A 57 7.966 13.963 -37.890 1.00 0.00 C ATOM 1087 CG HIS A 57 8.022 14.076 -39.398 1.00 0.00 C ATOM 1088 ND1 HIS A 57 9.118 14.565 -40.083 1.00 0.00 N ATOM 1089 CD2 HIS A 57 7.101 13.779 -40.345 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.865 14.563 -41.377 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.649 14.090 -41.561 1.00 0.00 N ATOM 0 H HIS A 57 7.811 10.645 -38.087 1.00 0.00 H new ATOM 0 HA HIS A 57 9.251 12.232 -37.783 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.966 14.238 -37.555 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.657 14.687 -37.459 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.116 13.372 -40.173 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.539 14.893 -42.154 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.190 13.974 -42.464 1.00 0.00 H new ATOM 1100 N VAL A 58 7.758 11.858 -34.985 1.00 0.00 N ATOM 1101 CA VAL A 58 8.014 11.769 -33.524 1.00 0.00 C ATOM 1102 C VAL A 58 9.307 10.959 -33.310 1.00 0.00 C ATOM 1103 O VAL A 58 9.479 9.898 -33.916 1.00 0.00 O ATOM 1104 CB VAL A 58 6.804 11.127 -32.715 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.703 9.587 -32.861 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.854 11.519 -31.224 1.00 0.00 C ATOM 0 H VAL A 58 6.951 11.323 -35.306 1.00 0.00 H new ATOM 0 HA VAL A 58 8.123 12.781 -33.133 1.00 0.00 H new ATOM 0 HB VAL A 58 5.903 11.543 -33.166 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.855 9.221 -32.282 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.563 9.329 -33.911 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.619 9.126 -32.493 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.014 11.064 -30.700 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.788 11.167 -30.786 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.796 12.603 -31.131 1.00 0.00 H new ATOM 1116 N ASN A 59 10.258 11.480 -32.522 1.00 0.00 N ATOM 1117 CA ASN A 59 11.506 10.756 -32.249 1.00 0.00 C ATOM 1118 C ASN A 59 11.323 9.997 -30.935 1.00 0.00 C ATOM 1119 O ASN A 59 11.378 10.580 -29.868 1.00 0.00 O ATOM 1120 CB ASN A 59 12.711 11.742 -32.175 1.00 0.00 C ATOM 1121 CG ASN A 59 12.852 12.614 -33.432 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.301 13.719 -33.514 1.00 0.00 O ATOM 1123 ND2 ASN A 59 13.592 12.128 -34.420 1.00 0.00 N ATOM 0 H ASN A 59 10.188 12.390 -32.067 1.00 0.00 H new ATOM 0 HA ASN A 59 11.725 10.054 -33.054 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.593 12.387 -31.304 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.630 11.174 -32.029 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.719 12.669 -35.276 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.034 11.214 -34.324 1.00 0.00 H new ATOM 1130 N VAL A 60 11.102 8.685 -31.021 1.00 0.00 N ATOM 1131 CA VAL A 60 10.824 7.839 -29.843 1.00 0.00 C ATOM 1132 C VAL A 60 11.871 6.736 -29.754 1.00 0.00 C ATOM 1133 O VAL A 60 12.167 6.079 -30.744 1.00 0.00 O ATOM 1134 CB VAL A 60 9.370 7.236 -29.866 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.320 8.280 -29.385 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.991 6.702 -31.269 1.00 0.00 C ATOM 0 H VAL A 60 11.109 8.173 -31.903 1.00 0.00 H new ATOM 0 HA VAL A 60 10.881 8.468 -28.955 1.00 0.00 H new ATOM 0 HB VAL A 60 9.365 6.394 -29.174 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.325 7.835 -29.412 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.553 8.587 -28.365 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.346 9.150 -30.041 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.980 6.294 -31.242 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.035 7.516 -31.992 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.691 5.919 -31.561 1.00 0.00 H new ATOM 1146 N LEU A 61 12.443 6.576 -28.553 1.00 0.00 N ATOM 1147 CA LEU A 61 13.632 5.745 -28.311 1.00 0.00 C ATOM 1148 C LEU A 61 13.344 4.689 -27.238 1.00 0.00 C ATOM 1149 O LEU A 61 12.635 4.947 -26.267 1.00 0.00 O ATOM 1150 CB LEU A 61 14.862 6.613 -27.876 1.00 0.00 C ATOM 1151 CG LEU A 61 15.493 7.566 -28.952 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.588 8.750 -29.316 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.901 8.059 -28.530 1.00 0.00 C ATOM 0 H LEU A 61 12.088 7.026 -27.709 1.00 0.00 H new ATOM 0 HA LEU A 61 13.876 5.248 -29.250 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.560 7.221 -27.024 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.643 5.938 -27.525 1.00 0.00 H new ATOM 0 HG LEU A 61 15.598 6.962 -29.853 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.083 9.370 -30.064 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.646 8.378 -29.719 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.391 9.345 -28.424 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.303 8.716 -29.301 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.828 8.606 -27.590 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.563 7.203 -28.402 1.00 0.00 H new ATOM 1165 N LYS A 62 13.896 3.502 -27.455 1.00 0.00 N ATOM 1166 CA LYS A 62 13.966 2.417 -26.482 1.00 0.00 C ATOM 1167 C LYS A 62 15.437 2.231 -26.091 1.00 0.00 C ATOM 1168 O LYS A 62 16.231 1.719 -26.893 1.00 0.00 O ATOM 1169 CB LYS A 62 13.395 1.119 -27.116 1.00 0.00 C ATOM 1170 CG LYS A 62 13.584 -0.158 -26.287 1.00 0.00 C ATOM 1171 CD LYS A 62 12.687 -0.220 -25.042 1.00 0.00 C ATOM 1172 CE LYS A 62 13.235 -1.192 -23.994 1.00 0.00 C ATOM 1173 NZ LYS A 62 13.576 -2.538 -24.524 1.00 0.00 N ATOM 0 H LYS A 62 14.324 3.258 -28.348 1.00 0.00 H new ATOM 0 HA LYS A 62 13.377 2.648 -25.594 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.329 1.261 -27.295 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.865 0.973 -28.089 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.378 -1.024 -26.916 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.627 -0.229 -25.977 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.602 0.775 -24.605 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.682 -0.527 -25.333 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.126 -0.756 -23.543 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.498 -1.304 -23.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.168 -3.268 -23.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.189 -2.641 -25.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.610 -2.648 -24.554 1.00 0.00 H new ATOM 1187 N ASN A 63 15.802 2.690 -24.880 1.00 0.00 N ATOM 1188 CA ASN A 63 17.165 2.551 -24.304 1.00 0.00 C ATOM 1189 C ASN A 63 18.239 3.207 -25.221 1.00 0.00 C ATOM 1190 O ASN A 63 19.384 2.744 -25.303 1.00 0.00 O ATOM 1191 CB ASN A 63 17.482 1.044 -24.025 1.00 0.00 C ATOM 1192 CG ASN A 63 16.573 0.393 -22.963 1.00 0.00 C ATOM 1193 OD1 ASN A 63 15.454 0.842 -22.721 1.00 0.00 O ATOM 1194 ND2 ASN A 63 17.035 -0.697 -22.361 1.00 0.00 N ATOM 0 H ASN A 63 15.154 3.176 -24.260 1.00 0.00 H new ATOM 0 HA ASN A 63 17.195 3.084 -23.354 1.00 0.00 H new ATOM 0 HB2 ASN A 63 17.390 0.486 -24.957 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.519 0.956 -23.702 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.457 -1.186 -21.677 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.968 -1.046 -22.583 1.00 0.00 H new ATOM 1201 N GLY A 64 17.846 4.331 -25.860 1.00 0.00 N ATOM 1202 CA GLY A 64 18.721 5.069 -26.788 1.00 0.00 C ATOM 1203 C GLY A 64 18.590 4.641 -28.257 1.00 0.00 C ATOM 1204 O GLY A 64 19.054 5.360 -29.149 1.00 0.00 O ATOM 0 H GLY A 64 16.921 4.746 -25.746 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.497 6.133 -26.711 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.757 4.937 -26.475 1.00 0.00 H new ATOM 1208 N ARG A 65 17.950 3.487 -28.522 1.00 0.00 N ATOM 1209 CA ARG A 65 17.670 3.016 -29.899 1.00 0.00 C ATOM 1210 C ARG A 65 16.317 3.569 -30.367 1.00 0.00 C ATOM 1211 O ARG A 65 15.276 3.117 -29.904 1.00 0.00 O ATOM 1212 CB ARG A 65 17.668 1.461 -29.968 1.00 0.00 C ATOM 1213 CG ARG A 65 17.281 0.872 -31.351 1.00 0.00 C ATOM 1214 CD ARG A 65 18.253 1.281 -32.475 1.00 0.00 C ATOM 1215 NE ARG A 65 19.597 0.711 -32.275 1.00 0.00 N ATOM 1216 CZ ARG A 65 20.729 1.176 -32.813 1.00 0.00 C ATOM 1217 NH1 ARG A 65 20.738 2.284 -33.538 1.00 0.00 N ATOM 1218 NH2 ARG A 65 21.859 0.529 -32.597 1.00 0.00 N ATOM 0 H ARG A 65 17.613 2.855 -27.795 1.00 0.00 H new ATOM 0 HA ARG A 65 18.458 3.381 -30.558 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.660 1.098 -29.699 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.974 1.079 -29.219 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.252 -0.215 -31.281 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.275 1.201 -31.611 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.858 0.950 -33.435 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.322 2.368 -32.517 1.00 0.00 H new ATOM 0 HE ARG A 65 19.670 -0.110 -31.674 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.871 2.798 -33.694 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.612 2.623 -33.940 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.862 -0.316 -32.025 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.729 0.874 -33.002 1.00 0.00 H new ATOM 1232 N GLU A 66 16.350 4.540 -31.292 1.00 0.00 N ATOM 1233 CA GLU A 66 15.139 5.202 -31.807 1.00 0.00 C ATOM 1234 C GLU A 66 14.270 4.185 -32.588 1.00 0.00 C ATOM 1235 O GLU A 66 14.617 3.772 -33.695 1.00 0.00 O ATOM 1236 CB GLU A 66 15.526 6.423 -32.687 1.00 0.00 C ATOM 1237 CG GLU A 66 14.445 7.530 -32.796 1.00 0.00 C ATOM 1238 CD GLU A 66 14.723 8.580 -33.891 1.00 0.00 C ATOM 1239 OE1 GLU A 66 15.903 8.829 -34.216 1.00 0.00 O ATOM 1240 OE2 GLU A 66 13.762 9.153 -34.434 1.00 0.00 O ATOM 0 H GLU A 66 17.215 4.889 -31.704 1.00 0.00 H new ATOM 0 HA GLU A 66 14.547 5.574 -30.971 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.437 6.866 -32.285 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.761 6.067 -33.690 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.481 7.062 -32.994 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.362 8.037 -31.835 1.00 0.00 H new ATOM 1247 N VAL A 67 13.143 3.782 -31.974 1.00 0.00 N ATOM 1248 CA VAL A 67 12.268 2.705 -32.477 1.00 0.00 C ATOM 1249 C VAL A 67 11.496 3.063 -33.765 1.00 0.00 C ATOM 1250 O VAL A 67 10.776 2.216 -34.287 1.00 0.00 O ATOM 1251 CB VAL A 67 11.274 2.197 -31.376 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.018 1.491 -30.230 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.390 3.339 -30.828 1.00 0.00 C ATOM 0 H VAL A 67 12.810 4.199 -31.105 1.00 0.00 H new ATOM 0 HA VAL A 67 12.952 1.899 -32.741 1.00 0.00 H new ATOM 0 HB VAL A 67 10.618 1.470 -31.854 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.299 1.151 -29.484 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.564 0.634 -30.624 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.719 2.187 -29.768 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.716 2.944 -30.068 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.023 4.109 -30.387 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.807 3.770 -31.642 1.00 0.00 H new ATOM 1263 N VAL A 68 11.650 4.293 -34.284 1.00 0.00 N ATOM 1264 CA VAL A 68 11.045 4.677 -35.581 1.00 0.00 C ATOM 1265 C VAL A 68 11.737 3.942 -36.752 1.00 0.00 C ATOM 1266 O VAL A 68 11.159 3.795 -37.830 1.00 0.00 O ATOM 1267 CB VAL A 68 11.091 6.233 -35.822 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.546 6.995 -34.592 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.508 6.732 -36.209 1.00 0.00 C ATOM 0 H VAL A 68 12.183 5.037 -33.833 1.00 0.00 H new ATOM 0 HA VAL A 68 9.998 4.377 -35.539 1.00 0.00 H new ATOM 0 HB VAL A 68 10.444 6.444 -36.673 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.587 8.068 -34.781 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.513 6.698 -34.408 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.153 6.757 -33.718 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.484 7.811 -36.364 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.208 6.496 -35.408 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.828 6.241 -37.128 1.00 0.00 H new ATOM 1279 N HIS A 69 12.996 3.494 -36.517 1.00 0.00 N ATOM 1280 CA HIS A 69 13.808 2.769 -37.522 1.00 0.00 C ATOM 1281 C HIS A 69 13.462 1.256 -37.521 1.00 0.00 C ATOM 1282 O HIS A 69 13.861 0.517 -38.427 1.00 0.00 O ATOM 1283 CB HIS A 69 15.325 2.978 -37.234 1.00 0.00 C ATOM 1284 CG HIS A 69 15.728 4.424 -37.006 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.581 5.415 -37.950 1.00 0.00 N ATOM 1286 CD2 HIS A 69 16.240 5.039 -35.912 1.00 0.00 C ATOM 1287 CE1 HIS A 69 15.974 6.573 -37.443 1.00 0.00 C ATOM 1288 NE2 HIS A 69 16.380 6.371 -36.209 1.00 0.00 N ATOM 0 H HIS A 69 13.475 3.626 -35.626 1.00 0.00 H new ATOM 0 HA HIS A 69 13.577 3.170 -38.509 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.599 2.395 -36.355 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.899 2.582 -38.071 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.492 4.565 -34.975 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.963 7.523 -37.956 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.740 7.086 -35.577 1.00 0.00 H new ATOM 1297 N LEU A 70 12.715 0.823 -36.484 1.00 0.00 N ATOM 1298 CA LEU A 70 12.294 -0.581 -36.281 1.00 0.00 C ATOM 1299 C LEU A 70 10.833 -0.609 -35.778 1.00 0.00 C ATOM 1300 O LEU A 70 10.054 0.285 -36.127 1.00 0.00 O ATOM 1301 CB LEU A 70 13.273 -1.323 -35.307 1.00 0.00 C ATOM 1302 CG LEU A 70 13.582 -0.633 -33.924 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.011 -1.667 -32.862 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.670 0.455 -34.064 1.00 0.00 C ATOM 0 H LEU A 70 12.381 1.449 -35.751 1.00 0.00 H new ATOM 0 HA LEU A 70 12.337 -1.117 -37.229 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.862 -2.312 -35.105 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.219 -1.471 -35.828 1.00 0.00 H new ATOM 0 HG LEU A 70 12.658 -0.158 -33.595 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.217 -1.158 -31.920 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.210 -2.392 -32.715 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.910 -2.183 -33.199 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.857 0.909 -33.091 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.590 0.004 -34.437 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.332 1.220 -34.763 1.00 0.00 H new ATOM 1316 N ASP A 71 10.443 -1.663 -35.027 1.00 0.00 N ATOM 1317 CA ASP A 71 9.132 -1.719 -34.353 1.00 0.00 C ATOM 1318 C ASP A 71 8.993 -0.569 -33.336 1.00 0.00 C ATOM 1319 O ASP A 71 9.656 -0.579 -32.293 1.00 0.00 O ATOM 1320 CB ASP A 71 8.938 -3.076 -33.627 1.00 0.00 C ATOM 1321 CG ASP A 71 8.645 -4.252 -34.561 1.00 0.00 C ATOM 1322 OD1 ASP A 71 9.594 -4.831 -35.130 1.00 0.00 O ATOM 1323 OD2 ASP A 71 7.457 -4.610 -34.727 1.00 0.00 O ATOM 0 H ASP A 71 11.022 -2.488 -34.874 1.00 0.00 H new ATOM 0 HA ASP A 71 8.363 -1.615 -35.119 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.837 -3.299 -33.052 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.119 -2.980 -32.914 1.00 0.00 H new ATOM 1328 N GLY A 72 8.143 0.421 -33.663 1.00 0.00 N ATOM 1329 CA GLY A 72 7.871 1.540 -32.763 1.00 0.00 C ATOM 1330 C GLY A 72 6.975 1.144 -31.604 1.00 0.00 C ATOM 1331 O GLY A 72 7.269 1.440 -30.439 1.00 0.00 O ATOM 0 H GLY A 72 7.635 0.462 -34.547 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.813 1.928 -32.375 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.400 2.348 -33.323 1.00 0.00 H new ATOM 1335 N MET A 73 5.880 0.451 -31.940 1.00 0.00 N ATOM 1336 CA MET A 73 4.810 0.118 -30.986 1.00 0.00 C ATOM 1337 C MET A 73 5.168 -1.104 -30.109 1.00 0.00 C ATOM 1338 O MET A 73 4.852 -1.122 -28.921 1.00 0.00 O ATOM 1339 CB MET A 73 3.475 -0.092 -31.752 1.00 0.00 C ATOM 1340 CG MET A 73 3.038 1.124 -32.593 1.00 0.00 C ATOM 1341 SD MET A 73 2.865 2.631 -31.607 1.00 0.00 S ATOM 1342 CE MET A 73 1.294 2.394 -30.778 1.00 0.00 C ATOM 0 H MET A 73 5.709 0.103 -32.884 1.00 0.00 H new ATOM 0 HA MET A 73 4.691 0.955 -30.298 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.576 -0.957 -32.407 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.689 -0.326 -31.034 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.768 1.294 -33.384 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.088 0.902 -33.079 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.563 3.099 -31.175 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.944 1.375 -30.946 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.418 2.563 -29.708 1.00 0.00 H new ATOM 1352 N ALA A 74 5.860 -2.116 -30.680 1.00 0.00 N ATOM 1353 CA ALA A 74 6.194 -3.363 -29.943 1.00 0.00 C ATOM 1354 C ALA A 74 7.582 -3.907 -30.341 1.00 0.00 C ATOM 1355 O ALA A 74 7.692 -4.856 -31.134 1.00 0.00 O ATOM 1356 CB ALA A 74 5.079 -4.413 -30.159 1.00 0.00 C ATOM 0 H ALA A 74 6.198 -2.097 -31.642 1.00 0.00 H new ATOM 0 HA ALA A 74 6.249 -3.134 -28.879 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.328 -5.325 -29.617 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.132 -4.019 -29.790 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.990 -4.636 -31.222 1.00 0.00 H new ATOM 1362 N THR A 75 8.648 -3.265 -29.812 1.00 0.00 N ATOM 1363 CA THR A 75 10.044 -3.670 -30.077 1.00 0.00 C ATOM 1364 C THR A 75 10.496 -4.856 -29.182 1.00 0.00 C ATOM 1365 O THR A 75 10.633 -5.988 -29.676 1.00 0.00 O ATOM 1366 CB THR A 75 11.045 -2.451 -29.977 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.408 -2.905 -30.094 1.00 0.00 O ATOM 1368 CG2 THR A 75 10.882 -1.633 -28.680 1.00 0.00 C ATOM 0 H THR A 75 8.565 -2.458 -29.194 1.00 0.00 H new ATOM 0 HA THR A 75 10.070 -4.024 -31.107 1.00 0.00 H new ATOM 0 HB THR A 75 10.799 -1.789 -30.807 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.015 -2.138 -30.032 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.599 -0.812 -28.675 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.870 -1.232 -28.628 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.062 -2.277 -27.819 1.00 0.00 H new ATOM 1376 N ALA A 76 10.653 -4.611 -27.858 1.00 0.00 N ATOM 1377 CA ALA A 76 11.406 -5.501 -26.946 1.00 0.00 C ATOM 1378 C ALA A 76 11.382 -4.959 -25.492 1.00 0.00 C ATOM 1379 O ALA A 76 12.362 -5.106 -24.747 1.00 0.00 O ATOM 1380 CB ALA A 76 12.853 -5.687 -27.456 1.00 0.00 C ATOM 0 H ALA A 76 10.261 -3.791 -27.395 1.00 0.00 H new ATOM 0 HA ALA A 76 10.921 -6.477 -26.935 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.397 -6.344 -26.777 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.834 -6.131 -28.452 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.351 -4.718 -27.500 1.00 0.00 H new ATOM 1386 N LEU A 77 10.257 -4.330 -25.089 1.00 0.00 N ATOM 1387 CA LEU A 77 10.162 -3.567 -23.818 1.00 0.00 C ATOM 1388 C LEU A 77 10.092 -4.516 -22.587 1.00 0.00 C ATOM 1389 O LEU A 77 9.442 -5.558 -22.642 1.00 0.00 O ATOM 1390 CB LEU A 77 8.923 -2.636 -23.863 1.00 0.00 C ATOM 1391 CG LEU A 77 8.756 -1.666 -22.648 1.00 0.00 C ATOM 1392 CD1 LEU A 77 9.978 -0.750 -22.485 1.00 0.00 C ATOM 1393 CD2 LEU A 77 7.473 -0.832 -22.777 1.00 0.00 C ATOM 0 H LEU A 77 9.392 -4.334 -25.629 1.00 0.00 H new ATOM 0 HA LEU A 77 11.063 -2.963 -23.710 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.972 -2.041 -24.775 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.029 -3.255 -23.935 1.00 0.00 H new ATOM 0 HG LEU A 77 8.677 -2.282 -21.752 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.826 -0.090 -21.631 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.868 -1.357 -22.321 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.108 -0.152 -23.387 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.383 -0.167 -21.918 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.514 -0.240 -23.691 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.609 -1.496 -22.813 1.00 0.00 H new ATOM 1405 N ASP A 78 10.773 -4.118 -21.483 1.00 0.00 N ATOM 1406 CA ASP A 78 11.002 -4.981 -20.291 1.00 0.00 C ATOM 1407 C ASP A 78 11.215 -4.090 -19.037 1.00 0.00 C ATOM 1408 O ASP A 78 11.252 -2.864 -19.171 1.00 0.00 O ATOM 1409 CB ASP A 78 12.237 -5.887 -20.594 1.00 0.00 C ATOM 1410 CG ASP A 78 12.533 -6.990 -19.565 1.00 0.00 C ATOM 1411 OD1 ASP A 78 11.585 -7.535 -18.970 1.00 0.00 O ATOM 1412 OD2 ASP A 78 13.720 -7.336 -19.370 1.00 0.00 O ATOM 0 H ASP A 78 11.181 -3.188 -21.392 1.00 0.00 H new ATOM 0 HA ASP A 78 10.142 -5.617 -20.083 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.089 -6.356 -21.567 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.118 -5.250 -20.678 1.00 0.00 H new ATOM 1417 N ASP A 79 11.358 -4.679 -17.823 1.00 0.00 N ATOM 1418 CA ASP A 79 11.464 -3.886 -16.568 1.00 0.00 C ATOM 1419 C ASP A 79 12.845 -3.233 -16.422 1.00 0.00 C ATOM 1420 O ASP A 79 13.867 -3.816 -16.795 1.00 0.00 O ATOM 1421 CB ASP A 79 11.129 -4.733 -15.308 1.00 0.00 C ATOM 1422 CG ASP A 79 12.211 -5.743 -14.886 1.00 0.00 C ATOM 1423 OD1 ASP A 79 12.355 -6.793 -15.545 1.00 0.00 O ATOM 1424 OD2 ASP A 79 12.921 -5.490 -13.882 1.00 0.00 O ATOM 0 H ASP A 79 11.402 -5.689 -17.685 1.00 0.00 H new ATOM 0 HA ASP A 79 10.719 -3.094 -16.644 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.943 -4.056 -14.474 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.201 -5.275 -15.491 1.00 0.00 H new ATOM 1429 N GLY A 80 12.846 -2.011 -15.866 1.00 0.00 N ATOM 1430 CA GLY A 80 14.061 -1.203 -15.708 1.00 0.00 C ATOM 1431 C GLY A 80 14.550 -0.580 -17.021 1.00 0.00 C ATOM 1432 O GLY A 80 15.590 0.093 -17.046 1.00 0.00 O ATOM 0 H GLY A 80 12.003 -1.557 -15.514 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.870 -0.409 -14.986 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.853 -1.827 -15.293 1.00 0.00 H new ATOM 1436 N ASP A 81 13.789 -0.807 -18.108 1.00 0.00 N ATOM 1437 CA ASP A 81 14.119 -0.316 -19.454 1.00 0.00 C ATOM 1438 C ASP A 81 13.571 1.103 -19.646 1.00 0.00 C ATOM 1439 O ASP A 81 12.414 1.395 -19.298 1.00 0.00 O ATOM 1440 CB ASP A 81 13.576 -1.285 -20.531 1.00 0.00 C ATOM 1441 CG ASP A 81 14.372 -2.607 -20.653 1.00 0.00 C ATOM 1442 OD1 ASP A 81 14.520 -3.326 -19.647 1.00 0.00 O ATOM 1443 OD2 ASP A 81 14.859 -2.931 -21.762 1.00 0.00 O ATOM 0 H ASP A 81 12.921 -1.341 -18.074 1.00 0.00 H new ATOM 0 HA ASP A 81 15.203 -0.276 -19.563 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.536 -1.520 -20.302 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.583 -0.779 -21.496 1.00 0.00 H new ATOM 1448 N ALA A 82 14.418 1.972 -20.213 1.00 0.00 N ATOM 1449 CA ALA A 82 14.167 3.411 -20.300 1.00 0.00 C ATOM 1450 C ALA A 82 13.654 3.828 -21.695 1.00 0.00 C ATOM 1451 O ALA A 82 14.428 3.868 -22.653 1.00 0.00 O ATOM 1452 CB ALA A 82 15.453 4.177 -19.950 1.00 0.00 C ATOM 0 H ALA A 82 15.306 1.689 -20.628 1.00 0.00 H new ATOM 0 HA ALA A 82 13.383 3.660 -19.585 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.267 5.249 -20.015 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.763 3.923 -18.936 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.242 3.903 -20.650 1.00 0.00 H new ATOM 1458 N VAL A 83 12.348 4.144 -21.805 1.00 0.00 N ATOM 1459 CA VAL A 83 11.758 4.645 -23.066 1.00 0.00 C ATOM 1460 C VAL A 83 11.918 6.179 -23.124 1.00 0.00 C ATOM 1461 O VAL A 83 11.238 6.912 -22.403 1.00 0.00 O ATOM 1462 CB VAL A 83 10.235 4.265 -23.208 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.666 4.706 -24.585 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.010 2.754 -22.974 1.00 0.00 C ATOM 0 H VAL A 83 11.681 4.062 -21.038 1.00 0.00 H new ATOM 0 HA VAL A 83 12.288 4.172 -23.893 1.00 0.00 H new ATOM 0 HB VAL A 83 9.690 4.808 -22.435 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.614 4.429 -24.650 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.764 5.787 -24.690 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.221 4.213 -25.383 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.950 2.523 -23.079 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.580 2.183 -23.708 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.342 2.488 -21.970 1.00 0.00 H new ATOM 1474 N SER A 84 12.829 6.645 -23.986 1.00 0.00 N ATOM 1475 CA SER A 84 13.139 8.074 -24.146 1.00 0.00 C ATOM 1476 C SER A 84 12.349 8.663 -25.330 1.00 0.00 C ATOM 1477 O SER A 84 12.685 8.410 -26.476 1.00 0.00 O ATOM 1478 CB SER A 84 14.662 8.207 -24.380 1.00 0.00 C ATOM 1479 OG SER A 84 15.387 7.762 -23.241 1.00 0.00 O ATOM 0 H SER A 84 13.376 6.039 -24.597 1.00 0.00 H new ATOM 0 HA SER A 84 12.851 8.628 -23.253 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.953 7.623 -25.253 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.913 9.246 -24.593 1.00 0.00 H new ATOM 0 HG SER A 84 16.348 7.852 -23.409 1.00 0.00 H new ATOM 1485 N VAL A 85 11.312 9.465 -25.061 1.00 0.00 N ATOM 1486 CA VAL A 85 10.455 10.027 -26.115 1.00 0.00 C ATOM 1487 C VAL A 85 10.714 11.541 -26.299 1.00 0.00 C ATOM 1488 O VAL A 85 10.936 12.291 -25.338 1.00 0.00 O ATOM 1489 CB VAL A 85 8.926 9.753 -25.835 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.651 8.239 -25.620 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.399 10.576 -24.645 1.00 0.00 C ATOM 0 H VAL A 85 11.044 9.741 -24.117 1.00 0.00 H new ATOM 0 HA VAL A 85 10.717 9.520 -27.044 1.00 0.00 H new ATOM 0 HB VAL A 85 8.382 10.075 -26.723 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.589 8.086 -25.430 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.943 7.686 -26.513 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.228 7.882 -24.767 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.343 10.355 -24.489 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.960 10.318 -23.747 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.520 11.639 -24.855 1.00 0.00 H new ATOM 1501 N PHE A 86 10.697 11.950 -27.564 1.00 0.00 N ATOM 1502 CA PHE A 86 10.871 13.335 -28.023 1.00 0.00 C ATOM 1503 C PHE A 86 9.689 13.605 -28.985 1.00 0.00 C ATOM 1504 O PHE A 86 9.389 12.741 -29.817 1.00 0.00 O ATOM 1505 CB PHE A 86 12.208 13.539 -28.817 1.00 0.00 C ATOM 1506 CG PHE A 86 13.512 13.111 -28.126 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.765 11.772 -27.834 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.506 14.041 -27.804 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.946 11.381 -27.237 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.694 13.636 -27.211 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.908 12.305 -26.929 1.00 0.00 C ATOM 0 H PHE A 86 10.555 11.299 -28.337 1.00 0.00 H new ATOM 0 HA PHE A 86 10.902 14.006 -27.165 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.129 12.992 -29.756 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.292 14.596 -29.070 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.023 11.027 -28.080 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.347 15.087 -28.019 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.113 10.338 -27.011 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.452 14.366 -26.970 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.832 11.991 -26.466 1.00 0.00 H new ATOM 1521 N PRO A 87 8.994 14.770 -28.887 1.00 0.00 N ATOM 1522 CA PRO A 87 7.891 15.140 -29.812 1.00 0.00 C ATOM 1523 C PRO A 87 8.378 15.356 -31.261 1.00 0.00 C ATOM 1524 O PRO A 87 9.590 15.469 -31.506 1.00 0.00 O ATOM 1525 CB PRO A 87 7.341 16.463 -29.204 1.00 0.00 C ATOM 1526 CG PRO A 87 8.483 17.004 -28.432 1.00 0.00 C ATOM 1527 CD PRO A 87 9.199 15.804 -27.868 1.00 0.00 C ATOM 0 HA PRO A 87 7.142 14.352 -29.891 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.020 17.157 -29.981 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.478 16.280 -28.564 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.144 17.590 -29.070 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.140 17.665 -27.636 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.258 16.007 -27.710 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.784 15.506 -26.905 1.00 0.00 H new ATOM 1535 N PRO A 88 7.439 15.415 -32.252 1.00 0.00 N ATOM 1536 CA PRO A 88 7.799 15.829 -33.613 1.00 0.00 C ATOM 1537 C PRO A 88 8.087 17.349 -33.623 1.00 0.00 C ATOM 1538 O PRO A 88 7.284 18.146 -33.119 1.00 0.00 O ATOM 1539 CB PRO A 88 6.542 15.433 -34.428 1.00 0.00 C ATOM 1540 CG PRO A 88 5.405 15.524 -33.454 1.00 0.00 C ATOM 1541 CD PRO A 88 5.985 15.102 -32.120 1.00 0.00 C ATOM 0 HA PRO A 88 8.699 15.369 -34.021 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.392 16.104 -35.274 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.635 14.425 -34.833 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.008 16.538 -33.407 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.582 14.873 -33.749 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.531 15.650 -31.294 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.819 14.042 -31.929 1.00 0.00 H new ATOM 1549 N VAL A 89 9.235 17.741 -34.196 1.00 0.00 N ATOM 1550 CA VAL A 89 9.721 19.140 -34.154 1.00 0.00 C ATOM 1551 C VAL A 89 9.139 19.980 -35.307 1.00 0.00 C ATOM 1552 O VAL A 89 9.297 21.208 -35.330 1.00 0.00 O ATOM 1553 CB VAL A 89 11.302 19.209 -34.143 1.00 0.00 C ATOM 1554 CG1 VAL A 89 11.881 18.427 -32.933 1.00 0.00 C ATOM 1555 CG2 VAL A 89 11.916 18.706 -35.479 1.00 0.00 C ATOM 0 H VAL A 89 9.854 17.106 -34.700 1.00 0.00 H new ATOM 0 HA VAL A 89 9.365 19.572 -33.219 1.00 0.00 H new ATOM 0 HB VAL A 89 11.580 20.258 -34.038 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.969 18.489 -32.947 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.505 18.860 -32.006 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.576 17.382 -32.995 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.003 18.771 -35.427 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.622 17.670 -35.647 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.554 19.324 -36.301 1.00 0.00 H new ATOM 1565 N ALA A 90 8.465 19.300 -36.255 1.00 0.00 N ATOM 1566 CA ALA A 90 7.739 19.947 -37.365 1.00 0.00 C ATOM 1567 C ALA A 90 6.616 19.037 -37.883 1.00 0.00 C ATOM 1568 O ALA A 90 6.620 17.821 -37.639 1.00 0.00 O ATOM 1569 CB ALA A 90 8.695 20.331 -38.509 1.00 0.00 C ATOM 0 H ALA A 90 8.409 18.282 -36.272 1.00 0.00 H new ATOM 0 HA ALA A 90 7.292 20.863 -36.980 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.130 20.805 -39.311 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.448 21.025 -38.136 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.184 19.435 -38.890 1.00 0.00 H new ATOM 1575 N GLY A 91 5.645 19.658 -38.572 1.00 0.00 N ATOM 1576 CA GLY A 91 4.526 18.949 -39.203 1.00 0.00 C ATOM 1577 C GLY A 91 4.526 19.150 -40.716 1.00 0.00 C ATOM 1578 O GLY A 91 4.390 18.186 -41.485 1.00 0.00 O ATOM 0 H GLY A 91 5.616 20.669 -38.706 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.592 17.885 -38.975 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.584 19.307 -38.786 1.00 0.00 H new ATOM 1582 N GLY A 92 4.696 20.415 -41.132 1.00 0.00 N ATOM 1583 CA GLY A 92 4.786 20.787 -42.541 1.00 0.00 C ATOM 1584 C GLY A 92 4.439 22.262 -42.738 1.00 0.00 C ATOM 1585 O GLY A 92 5.346 23.114 -42.656 1.00 0.00 O ATOM 1586 OXT GLY A 92 3.251 22.579 -42.955 1.00 0.00 O ATOM 0 H GLY A 92 4.774 21.207 -40.493 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.794 20.594 -42.909 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.108 20.168 -43.129 1.00 0.00 H new TER 1590 GLY A 92