USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 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 57 MET CE :methyl 165:sc= -2.03 (180deg=-2.5!) USER MOD Set 1.2: A 58 ASN : amide:sc= -4.83! C(o=-6.9!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0731 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 109:sc= 0.0894 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= -0.047 (180deg=-0.0749) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 40:sc= 0.0404 USER MOD Single : A 37 GLN : amide:sc= -2.9! C(o=-2.9!,f=-3.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= -0.0023 (180deg=-0.0724) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.02 K(o=-0.02,f=-0.65) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00408 X(o=-0.0041,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -78:sc= 1.18 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0464 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 59:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.085 -10.833 2.582 1.00 0.00 N ATOM 2 CA GLY A 1 9.617 -11.247 3.868 1.00 0.00 C ATOM 3 C GLY A 1 8.528 -11.526 4.882 1.00 0.00 C ATOM 4 O GLY A 1 7.991 -10.604 5.496 1.00 0.00 O ATOM 0 H1 GLY A 1 9.870 -10.654 1.923 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.476 -11.585 2.200 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.527 -9.963 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.224 -12.143 3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.277 -10.469 4.252 1.00 0.00 H new ATOM 8 N SER A 2 8.199 -12.801 5.059 1.00 0.00 N ATOM 9 CA SER A 2 7.161 -13.201 6.003 1.00 0.00 C ATOM 10 C SER A 2 7.777 -13.720 7.300 1.00 0.00 C ATOM 11 O SER A 2 8.648 -14.589 7.281 1.00 0.00 O ATOM 12 CB SER A 2 6.264 -14.275 5.384 1.00 0.00 C ATOM 13 OG SER A 2 5.651 -13.804 4.197 1.00 0.00 O ATOM 0 H SER A 2 8.636 -13.576 4.561 1.00 0.00 H new ATOM 0 HA SER A 2 6.557 -12.324 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.855 -15.164 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.498 -14.571 6.100 1.00 0.00 H new ATOM 0 HG SER A 2 5.084 -14.509 3.820 1.00 0.00 H new ATOM 19 N SER A 3 7.316 -13.179 8.423 1.00 0.00 N ATOM 20 CA SER A 3 7.823 -13.585 9.728 1.00 0.00 C ATOM 21 C SER A 3 6.820 -13.251 10.829 1.00 0.00 C ATOM 22 O SER A 3 5.969 -12.377 10.665 1.00 0.00 O ATOM 23 CB SER A 3 9.160 -12.897 10.016 1.00 0.00 C ATOM 24 OG SER A 3 8.988 -11.501 10.191 1.00 0.00 O ATOM 0 H SER A 3 6.594 -12.460 8.455 1.00 0.00 H new ATOM 0 HA SER A 3 7.973 -14.664 9.712 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.608 -13.327 10.912 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.852 -13.081 9.194 1.00 0.00 H new ATOM 0 HG SER A 3 9.856 -11.085 10.375 1.00 0.00 H new ATOM 30 N GLY A 4 6.927 -13.954 11.953 1.00 0.00 N ATOM 31 CA GLY A 4 6.023 -13.719 13.063 1.00 0.00 C ATOM 32 C GLY A 4 5.392 -14.998 13.578 1.00 0.00 C ATOM 33 O GLY A 4 5.820 -16.096 13.222 1.00 0.00 O ATOM 0 H GLY A 4 7.623 -14.682 12.114 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.566 -13.234 13.874 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.238 -13.031 12.749 1.00 0.00 H new ATOM 37 N SER A 5 4.373 -14.855 14.420 1.00 0.00 N ATOM 38 CA SER A 5 3.686 -16.009 14.989 1.00 0.00 C ATOM 39 C SER A 5 2.872 -16.737 13.923 1.00 0.00 C ATOM 40 O SER A 5 3.074 -17.925 13.677 1.00 0.00 O ATOM 41 CB SER A 5 2.772 -15.569 16.134 1.00 0.00 C ATOM 42 OG SER A 5 3.515 -15.328 17.316 1.00 0.00 O ATOM 0 H SER A 5 4.005 -13.953 14.723 1.00 0.00 H new ATOM 0 HA SER A 5 4.439 -16.695 15.377 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.235 -14.665 15.848 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.023 -16.338 16.322 1.00 0.00 H new ATOM 0 HG SER A 5 2.908 -15.047 18.032 1.00 0.00 H new ATOM 48 N SER A 6 1.950 -16.014 13.296 1.00 0.00 N ATOM 49 CA SER A 6 1.103 -16.590 12.259 1.00 0.00 C ATOM 50 C SER A 6 1.519 -16.095 10.878 1.00 0.00 C ATOM 51 O SER A 6 1.716 -16.884 9.955 1.00 0.00 O ATOM 52 CB SER A 6 -0.364 -16.242 12.518 1.00 0.00 C ATOM 53 OG SER A 6 -0.556 -14.839 12.554 1.00 0.00 O ATOM 0 H SER A 6 1.771 -15.028 13.488 1.00 0.00 H new ATOM 0 HA SER A 6 1.223 -17.673 12.287 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.988 -16.678 11.737 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.684 -16.680 13.463 1.00 0.00 H new ATOM 0 HG SER A 6 -1.502 -14.642 12.719 1.00 0.00 H new ATOM 59 N GLY A 7 1.652 -14.778 10.743 1.00 0.00 N ATOM 60 CA GLY A 7 2.044 -14.198 9.473 1.00 0.00 C ATOM 61 C GLY A 7 1.407 -12.844 9.232 1.00 0.00 C ATOM 62 O GLY A 7 1.936 -11.816 9.658 1.00 0.00 O ATOM 0 H GLY A 7 1.495 -14.103 11.492 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.129 -14.096 9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.765 -14.876 8.666 1.00 0.00 H new ATOM 66 N ASP A 8 0.268 -12.840 8.547 1.00 0.00 N ATOM 67 CA ASP A 8 -0.442 -11.601 8.251 1.00 0.00 C ATOM 68 C ASP A 8 -1.800 -11.574 8.946 1.00 0.00 C ATOM 69 O ASP A 8 -2.376 -12.610 9.278 1.00 0.00 O ATOM 70 CB ASP A 8 -0.624 -11.443 6.740 1.00 0.00 C ATOM 71 CG ASP A 8 -0.976 -12.751 6.059 1.00 0.00 C ATOM 72 OD1 ASP A 8 -2.071 -13.287 6.331 1.00 0.00 O ATOM 73 OD2 ASP A 8 -0.156 -13.241 5.255 1.00 0.00 O ATOM 0 H ASP A 8 -0.183 -13.681 8.187 1.00 0.00 H new ATOM 0 HA ASP A 8 0.154 -10.769 8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.410 -10.713 6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.294 -11.046 6.306 1.00 0.00 H new ATOM 78 N PRO A 9 -2.324 -10.360 9.172 1.00 0.00 N ATOM 79 CA PRO A 9 -3.620 -10.168 9.830 1.00 0.00 C ATOM 80 C PRO A 9 -4.785 -10.616 8.956 1.00 0.00 C ATOM 81 O PRO A 9 -4.639 -10.855 7.758 1.00 0.00 O ATOM 82 CB PRO A 9 -3.678 -8.656 10.064 1.00 0.00 C ATOM 83 CG PRO A 9 -2.789 -8.076 9.017 1.00 0.00 C ATOM 84 CD PRO A 9 -1.692 -9.082 8.801 1.00 0.00 C ATOM 0 HA PRO A 9 -3.706 -10.758 10.742 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.697 -8.280 9.971 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.333 -8.397 11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.340 -7.895 8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.382 -7.117 9.338 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.350 -9.088 7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.822 -8.868 9.423 1.00 0.00 H new ATOM 92 N PRO A 10 -5.973 -10.735 9.569 1.00 0.00 N ATOM 93 CA PRO A 10 -7.188 -11.155 8.863 1.00 0.00 C ATOM 94 C PRO A 10 -7.688 -10.096 7.887 1.00 0.00 C ATOM 95 O PRO A 10 -8.240 -10.419 6.835 1.00 0.00 O ATOM 96 CB PRO A 10 -8.200 -11.360 9.994 1.00 0.00 C ATOM 97 CG PRO A 10 -7.722 -10.478 11.096 1.00 0.00 C ATOM 98 CD PRO A 10 -6.221 -10.468 10.996 1.00 0.00 C ATOM 0 HA PRO A 10 -7.020 -12.044 8.255 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.207 -11.088 9.678 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.236 -12.403 10.309 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.127 -9.471 10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.046 -10.855 12.066 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.804 -9.509 11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.771 -11.230 11.632 1.00 0.00 H new ATOM 106 N TRP A 11 -7.490 -8.831 8.241 1.00 0.00 N ATOM 107 CA TRP A 11 -7.921 -7.725 7.394 1.00 0.00 C ATOM 108 C TRP A 11 -7.142 -7.709 6.083 1.00 0.00 C ATOM 109 O TRP A 11 -7.642 -7.238 5.061 1.00 0.00 O ATOM 110 CB TRP A 11 -7.737 -6.395 8.126 1.00 0.00 C ATOM 111 CG TRP A 11 -6.313 -6.114 8.499 1.00 0.00 C ATOM 112 CD1 TRP A 11 -5.773 -6.150 9.753 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.250 -5.752 7.611 1.00 0.00 C ATOM 114 NE1 TRP A 11 -4.437 -5.832 9.697 1.00 0.00 N ATOM 115 CE2 TRP A 11 -4.092 -5.583 8.396 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.162 -5.553 6.231 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -2.864 -5.228 7.843 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -3.944 -5.200 5.684 1.00 0.00 C ATOM 119 CH2 TRP A 11 -2.808 -5.041 6.489 1.00 0.00 C ATOM 0 H TRP A 11 -7.034 -8.546 9.108 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.978 -7.864 7.166 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.106 -5.587 7.494 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.348 -6.398 9.029 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.315 -6.392 10.655 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.805 -5.789 10.496 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.032 -5.673 5.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.987 -5.105 8.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.866 -5.044 4.618 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.869 -4.765 6.031 1.00 0.00 H new ATOM 130 N ALA A 12 -5.919 -8.226 6.119 1.00 0.00 N ATOM 131 CA ALA A 12 -5.075 -8.273 4.931 1.00 0.00 C ATOM 132 C ALA A 12 -5.750 -9.052 3.808 1.00 0.00 C ATOM 133 O ALA A 12 -6.497 -10.003 4.041 1.00 0.00 O ATOM 134 CB ALA A 12 -3.726 -8.892 5.268 1.00 0.00 C ATOM 0 H ALA A 12 -5.490 -8.618 6.957 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.919 -7.251 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.105 -8.921 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.232 -8.293 6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.874 -9.906 5.640 1.00 0.00 H new ATOM 140 N PRO A 13 -5.482 -8.642 2.560 1.00 0.00 N ATOM 141 CA PRO A 13 -6.055 -9.289 1.373 1.00 0.00 C ATOM 142 C PRO A 13 -5.485 -10.685 1.143 1.00 0.00 C ATOM 143 O PRO A 13 -4.558 -11.109 1.833 1.00 0.00 O ATOM 144 CB PRO A 13 -5.656 -8.352 0.232 1.00 0.00 C ATOM 145 CG PRO A 13 -4.431 -7.659 0.720 1.00 0.00 C ATOM 146 CD PRO A 13 -4.602 -7.517 2.207 1.00 0.00 C ATOM 0 HA PRO A 13 -7.131 -9.434 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.458 -8.907 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.451 -7.640 0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.536 -8.235 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.318 -6.684 0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.647 -7.576 2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.050 -6.559 2.470 1.00 0.00 H new ATOM 154 N ARG A 14 -6.045 -11.392 0.167 1.00 0.00 N ATOM 155 CA ARG A 14 -5.593 -12.741 -0.154 1.00 0.00 C ATOM 156 C ARG A 14 -4.402 -12.701 -1.108 1.00 0.00 C ATOM 157 O ARG A 14 -3.425 -13.429 -0.928 1.00 0.00 O ATOM 158 CB ARG A 14 -6.732 -13.548 -0.778 1.00 0.00 C ATOM 159 CG ARG A 14 -7.917 -13.748 0.153 1.00 0.00 C ATOM 160 CD ARG A 14 -9.012 -14.571 -0.508 1.00 0.00 C ATOM 161 NE ARG A 14 -10.301 -14.403 0.159 1.00 0.00 N ATOM 162 CZ ARG A 14 -11.335 -15.215 -0.027 1.00 0.00 C ATOM 163 NH1 ARG A 14 -11.232 -16.246 -0.855 1.00 0.00 N ATOM 164 NH2 ARG A 14 -12.475 -14.998 0.617 1.00 0.00 N ATOM 0 H ARG A 14 -6.812 -11.054 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.280 -13.223 0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.072 -13.042 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.351 -14.523 -1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.585 -14.246 1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.317 -12.778 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.104 -14.278 -1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.732 -15.624 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.413 -13.619 0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.357 -16.417 -1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.028 -16.868 -0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.557 -14.207 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -13.269 -15.622 0.473 1.00 0.00 H new ATOM 178 N SER A 15 -4.490 -11.847 -2.123 1.00 0.00 N ATOM 179 CA SER A 15 -3.421 -11.716 -3.107 1.00 0.00 C ATOM 180 C SER A 15 -3.153 -10.248 -3.424 1.00 0.00 C ATOM 181 O SER A 15 -4.039 -9.403 -3.308 1.00 0.00 O ATOM 182 CB SER A 15 -3.786 -12.468 -4.389 1.00 0.00 C ATOM 183 OG SER A 15 -2.741 -12.384 -5.342 1.00 0.00 O ATOM 0 H SER A 15 -5.290 -11.236 -2.286 1.00 0.00 H new ATOM 0 HA SER A 15 -2.515 -12.150 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.988 -13.514 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.701 -12.053 -4.810 1.00 0.00 H new ATOM 0 HG SER A 15 -2.997 -12.873 -6.152 1.00 0.00 H new ATOM 189 N TYR A 16 -1.921 -9.953 -3.825 1.00 0.00 N ATOM 190 CA TYR A 16 -1.532 -8.587 -4.158 1.00 0.00 C ATOM 191 C TYR A 16 -0.285 -8.575 -5.036 1.00 0.00 C ATOM 192 O TYR A 16 0.496 -9.527 -5.040 1.00 0.00 O ATOM 193 CB TYR A 16 -1.279 -7.783 -2.881 1.00 0.00 C ATOM 194 CG TYR A 16 -0.254 -8.408 -1.962 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.086 -8.472 -2.326 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.625 -8.937 -0.732 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.026 -9.045 -1.491 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.309 -9.509 0.110 1.00 0.00 C ATOM 199 CZ TYR A 16 1.632 -9.560 -0.275 1.00 0.00 C ATOM 200 OH TYR A 16 2.566 -10.130 0.561 1.00 0.00 O ATOM 0 H TYR A 16 -1.175 -10.641 -3.927 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.349 -8.127 -4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.947 -6.781 -3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.219 -7.672 -2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.398 -8.067 -3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.661 -8.900 -0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.063 -9.089 -1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.005 -9.914 1.064 1.00 0.00 H new ATOM 0 HH TYR A 16 2.125 -10.443 1.378 1.00 0.00 H new ATOM 210 N LEU A 17 -0.103 -7.487 -5.777 1.00 0.00 N ATOM 211 CA LEU A 17 1.048 -7.348 -6.662 1.00 0.00 C ATOM 212 C LEU A 17 2.351 -7.389 -5.868 1.00 0.00 C ATOM 213 O LEU A 17 3.136 -8.327 -5.996 1.00 0.00 O ATOM 214 CB LEU A 17 0.958 -6.038 -7.446 1.00 0.00 C ATOM 215 CG LEU A 17 0.093 -6.069 -8.706 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.029 -4.677 -9.305 1.00 0.00 C ATOM 217 CD2 LEU A 17 0.669 -7.042 -9.725 1.00 0.00 C ATOM 0 H LEU A 17 -0.738 -6.689 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 17 1.042 -8.184 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.570 -5.266 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.967 -5.737 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.904 -6.411 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.648 -4.719 -10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.488 -4.007 -8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.962 -4.305 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.040 -7.051 -10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.678 -6.730 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.702 -8.043 -9.294 1.00 0.00 H new ATOM 229 N GLU A 18 2.570 -6.367 -5.047 1.00 0.00 N ATOM 230 CA GLU A 18 3.777 -6.289 -4.232 1.00 0.00 C ATOM 231 C GLU A 18 3.475 -5.666 -2.872 1.00 0.00 C ATOM 232 O GLU A 18 2.323 -5.378 -2.550 1.00 0.00 O ATOM 233 CB GLU A 18 4.853 -5.473 -4.951 1.00 0.00 C ATOM 234 CG GLU A 18 4.415 -4.060 -5.297 1.00 0.00 C ATOM 235 CD GLU A 18 5.558 -3.205 -5.813 1.00 0.00 C ATOM 236 OE1 GLU A 18 6.241 -3.642 -6.762 1.00 0.00 O ATOM 237 OE2 GLU A 18 5.767 -2.101 -5.269 1.00 0.00 O ATOM 0 H GLU A 18 1.929 -5.583 -4.929 1.00 0.00 H new ATOM 0 HA GLU A 18 4.145 -7.303 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.742 -5.425 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.138 -5.991 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.628 -4.102 -6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.985 -3.590 -4.413 1.00 0.00 H new ATOM 244 N LYS A 19 4.520 -5.462 -2.077 1.00 0.00 N ATOM 245 CA LYS A 19 4.369 -4.873 -0.751 1.00 0.00 C ATOM 246 C LYS A 19 5.169 -3.577 -0.637 1.00 0.00 C ATOM 247 O LYS A 19 6.337 -3.522 -1.023 1.00 0.00 O ATOM 248 CB LYS A 19 4.825 -5.861 0.324 1.00 0.00 C ATOM 249 CG LYS A 19 4.324 -5.520 1.716 1.00 0.00 C ATOM 250 CD LYS A 19 5.263 -6.041 2.791 1.00 0.00 C ATOM 251 CE LYS A 19 5.027 -7.517 3.069 1.00 0.00 C ATOM 252 NZ LYS A 19 5.765 -7.978 4.278 1.00 0.00 N ATOM 0 H LYS A 19 5.481 -5.696 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 19 3.314 -4.644 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.480 -6.860 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.914 -5.893 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.223 -4.439 1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.331 -5.947 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.296 -5.889 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.121 -5.470 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.960 -7.695 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.341 -8.104 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.578 -8.989 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.785 -7.832 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.447 -7.436 5.106 1.00 0.00 H new ATOM 266 N VAL A 20 4.534 -2.539 -0.104 1.00 0.00 N ATOM 267 CA VAL A 20 5.186 -1.247 0.064 1.00 0.00 C ATOM 268 C VAL A 20 5.046 -0.741 1.495 1.00 0.00 C ATOM 269 O VAL A 20 4.183 -1.198 2.244 1.00 0.00 O ATOM 270 CB VAL A 20 4.604 -0.194 -0.899 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.819 -0.617 -2.345 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.126 0.026 -0.615 1.00 0.00 C ATOM 0 H VAL A 20 3.567 -2.568 0.219 1.00 0.00 H new ATOM 0 HA VAL A 20 6.241 -1.395 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 20 5.127 0.749 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.402 0.138 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.887 -0.722 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.323 -1.571 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.730 0.772 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.587 -0.912 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.000 0.375 0.410 1.00 0.00 H new ATOM 282 N VAL A 21 5.901 0.205 1.869 1.00 0.00 N ATOM 283 CA VAL A 21 5.872 0.775 3.211 1.00 0.00 C ATOM 284 C VAL A 21 5.770 2.294 3.162 1.00 0.00 C ATOM 285 O VAL A 21 6.385 2.941 2.313 1.00 0.00 O ATOM 286 CB VAL A 21 7.126 0.381 4.015 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.381 0.914 3.340 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.023 0.890 5.445 1.00 0.00 C ATOM 0 H VAL A 21 6.623 0.593 1.262 1.00 0.00 H new ATOM 0 HA VAL A 21 4.989 0.371 3.707 1.00 0.00 H new ATOM 0 HB VAL A 21 7.192 -0.707 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.257 0.626 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.459 0.497 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.327 2.001 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.917 0.603 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.933 1.976 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.145 0.456 5.923 1.00 0.00 H new ATOM 298 N ALA A 22 4.988 2.860 4.075 1.00 0.00 N ATOM 299 CA ALA A 22 4.807 4.305 4.137 1.00 0.00 C ATOM 300 C ALA A 22 6.064 4.994 4.658 1.00 0.00 C ATOM 301 O ALA A 22 6.492 4.754 5.788 1.00 0.00 O ATOM 302 CB ALA A 22 3.612 4.650 5.014 1.00 0.00 C ATOM 0 H ALA A 22 4.469 2.339 4.782 1.00 0.00 H new ATOM 0 HA ALA A 22 4.619 4.666 3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.489 5.732 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.712 4.196 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.778 4.269 6.022 1.00 0.00 H new ATOM 308 N ILE A 23 6.651 5.850 3.828 1.00 0.00 N ATOM 309 CA ILE A 23 7.858 6.573 4.205 1.00 0.00 C ATOM 310 C ILE A 23 7.531 7.990 4.667 1.00 0.00 C ATOM 311 O ILE A 23 8.174 8.525 5.569 1.00 0.00 O ATOM 312 CB ILE A 23 8.860 6.646 3.036 1.00 0.00 C ATOM 313 CG1 ILE A 23 8.209 7.303 1.818 1.00 0.00 C ATOM 314 CG2 ILE A 23 9.366 5.254 2.688 1.00 0.00 C ATOM 315 CD1 ILE A 23 9.168 7.534 0.672 1.00 0.00 C ATOM 0 H ILE A 23 6.310 6.059 2.890 1.00 0.00 H new ATOM 0 HA ILE A 23 8.311 6.020 5.028 1.00 0.00 H new ATOM 0 HB ILE A 23 9.710 7.256 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.387 6.676 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.777 8.258 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.073 5.320 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.862 4.820 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.526 4.623 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.638 8.003 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.977 8.186 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.581 6.580 0.345 1.00 0.00 H new ATOM 327 N TYR A 24 6.522 8.590 4.042 1.00 0.00 N ATOM 328 CA TYR A 24 6.108 9.944 4.388 1.00 0.00 C ATOM 329 C TYR A 24 4.601 10.009 4.623 1.00 0.00 C ATOM 330 O TYR A 24 3.817 9.456 3.852 1.00 0.00 O ATOM 331 CB TYR A 24 6.504 10.920 3.279 1.00 0.00 C ATOM 332 CG TYR A 24 7.987 10.928 2.981 1.00 0.00 C ATOM 333 CD1 TYR A 24 8.914 11.191 3.982 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.461 10.674 1.700 1.00 0.00 C ATOM 335 CE1 TYR A 24 10.270 11.200 3.715 1.00 0.00 C ATOM 336 CE2 TYR A 24 9.813 10.681 1.424 1.00 0.00 C ATOM 337 CZ TYR A 24 10.714 10.944 2.435 1.00 0.00 C ATOM 338 OH TYR A 24 12.064 10.952 2.163 1.00 0.00 O ATOM 0 H TYR A 24 5.977 8.160 3.295 1.00 0.00 H new ATOM 0 HA TYR A 24 6.615 10.227 5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.960 10.664 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.193 11.925 3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.569 11.392 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.759 10.467 0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.978 11.406 4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.164 10.482 0.422 1.00 0.00 H new ATOM 0 HH TYR A 24 12.208 10.752 1.214 1.00 0.00 H new ATOM 348 N ASP A 25 4.206 10.689 5.694 1.00 0.00 N ATOM 349 CA ASP A 25 2.794 10.829 6.031 1.00 0.00 C ATOM 350 C ASP A 25 2.018 11.452 4.875 1.00 0.00 C ATOM 351 O ASP A 25 2.337 12.551 4.420 1.00 0.00 O ATOM 352 CB ASP A 25 2.631 11.683 7.290 1.00 0.00 C ATOM 353 CG ASP A 25 2.836 13.161 7.016 1.00 0.00 C ATOM 354 OD1 ASP A 25 3.958 13.542 6.625 1.00 0.00 O ATOM 355 OD2 ASP A 25 1.872 13.935 7.193 1.00 0.00 O ATOM 0 H ASP A 25 4.843 11.151 6.343 1.00 0.00 H new ATOM 0 HA ASP A 25 2.391 9.834 6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.635 11.528 7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.345 11.353 8.044 1.00 0.00 H new ATOM 360 N TYR A 26 0.999 10.742 4.402 1.00 0.00 N ATOM 361 CA TYR A 26 0.180 11.223 3.297 1.00 0.00 C ATOM 362 C TYR A 26 -1.283 11.338 3.713 1.00 0.00 C ATOM 363 O TYR A 26 -1.871 10.388 4.232 1.00 0.00 O ATOM 364 CB TYR A 26 0.307 10.285 2.094 1.00 0.00 C ATOM 365 CG TYR A 26 -0.565 10.680 0.924 1.00 0.00 C ATOM 366 CD1 TYR A 26 -0.249 11.781 0.137 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.702 9.951 0.604 1.00 0.00 C ATOM 368 CE1 TYR A 26 -1.042 12.147 -0.932 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.501 10.307 -0.466 1.00 0.00 C ATOM 370 CZ TYR A 26 -2.168 11.407 -1.231 1.00 0.00 C ATOM 371 OH TYR A 26 -2.961 11.765 -2.295 1.00 0.00 O ATOM 0 H TYR A 26 0.721 9.831 4.767 1.00 0.00 H new ATOM 0 HA TYR A 26 0.539 12.214 3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.347 10.262 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.048 9.273 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.633 12.361 0.366 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.967 9.091 1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.783 13.007 -1.531 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.381 9.728 -0.702 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.862 11.106 -3.013 1.00 0.00 H new ATOM 381 N THR A 27 -1.868 12.510 3.481 1.00 0.00 N ATOM 382 CA THR A 27 -3.262 12.750 3.832 1.00 0.00 C ATOM 383 C THR A 27 -4.173 12.551 2.626 1.00 0.00 C ATOM 384 O THR A 27 -3.995 13.188 1.587 1.00 0.00 O ATOM 385 CB THR A 27 -3.464 14.174 4.384 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.601 14.391 5.507 1.00 0.00 O ATOM 387 CG2 THR A 27 -4.911 14.391 4.801 1.00 0.00 C ATOM 0 H THR A 27 -1.398 13.307 3.052 1.00 0.00 H new ATOM 0 HA THR A 27 -3.523 12.028 4.605 1.00 0.00 H new ATOM 0 HB THR A 27 -3.219 14.885 3.595 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.734 15.299 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.030 15.403 5.188 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.563 14.253 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.178 13.673 5.576 1.00 0.00 H new ATOM 395 N LYS A 28 -5.153 11.663 2.771 1.00 0.00 N ATOM 396 CA LYS A 28 -6.094 11.382 1.694 1.00 0.00 C ATOM 397 C LYS A 28 -7.122 12.503 1.562 1.00 0.00 C ATOM 398 O LYS A 28 -7.719 12.929 2.551 1.00 0.00 O ATOM 399 CB LYS A 28 -6.806 10.051 1.948 1.00 0.00 C ATOM 400 CG LYS A 28 -7.604 10.024 3.240 1.00 0.00 C ATOM 401 CD LYS A 28 -9.034 10.492 3.023 1.00 0.00 C ATOM 402 CE LYS A 28 -9.952 9.330 2.671 1.00 0.00 C ATOM 403 NZ LYS A 28 -11.366 9.610 3.046 1.00 0.00 N ATOM 0 H LYS A 28 -5.315 11.127 3.623 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.533 11.317 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.475 9.842 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.066 9.251 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.609 9.012 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.120 10.661 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.398 10.985 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.059 11.232 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.892 9.131 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.612 8.430 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.952 8.776 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.420 9.826 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.715 10.424 2.501 1.00 0.00 H new ATOM 417 N ASP A 29 -7.322 12.974 0.337 1.00 0.00 N ATOM 418 CA ASP A 29 -8.279 14.044 0.076 1.00 0.00 C ATOM 419 C ASP A 29 -9.636 13.473 -0.324 1.00 0.00 C ATOM 420 O ASP A 29 -10.672 13.884 0.195 1.00 0.00 O ATOM 421 CB ASP A 29 -7.755 14.968 -1.024 1.00 0.00 C ATOM 422 CG ASP A 29 -8.829 15.894 -1.561 1.00 0.00 C ATOM 423 OD1 ASP A 29 -9.397 16.670 -0.763 1.00 0.00 O ATOM 424 OD2 ASP A 29 -9.099 15.846 -2.779 1.00 0.00 O ATOM 0 H ASP A 29 -6.835 12.632 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.404 14.619 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.929 15.562 -0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.356 14.366 -1.841 1.00 0.00 H new ATOM 429 N LYS A 30 -9.621 12.524 -1.255 1.00 0.00 N ATOM 430 CA LYS A 30 -10.850 11.895 -1.727 1.00 0.00 C ATOM 431 C LYS A 30 -10.995 10.488 -1.155 1.00 0.00 C ATOM 432 O LYS A 30 -10.005 9.789 -0.943 1.00 0.00 O ATOM 433 CB LYS A 30 -10.864 11.839 -3.256 1.00 0.00 C ATOM 434 CG LYS A 30 -10.537 13.169 -3.915 1.00 0.00 C ATOM 435 CD LYS A 30 -11.107 13.247 -5.321 1.00 0.00 C ATOM 436 CE LYS A 30 -10.512 14.411 -6.100 1.00 0.00 C ATOM 437 NZ LYS A 30 -10.816 14.318 -7.555 1.00 0.00 N ATOM 0 H LYS A 30 -8.771 12.174 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.692 12.497 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.146 11.091 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.848 11.509 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.939 13.984 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.456 13.302 -3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.906 12.314 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.190 13.358 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.903 15.349 -5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.432 14.431 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.393 15.129 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.421 13.435 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.846 14.325 -7.696 1.00 0.00 H new ATOM 451 N GLU A 31 -12.237 10.080 -0.909 1.00 0.00 N ATOM 452 CA GLU A 31 -12.510 8.756 -0.363 1.00 0.00 C ATOM 453 C GLU A 31 -11.691 7.690 -1.084 1.00 0.00 C ATOM 454 O GLU A 31 -11.297 6.685 -0.489 1.00 0.00 O ATOM 455 CB GLU A 31 -14.002 8.432 -0.475 1.00 0.00 C ATOM 456 CG GLU A 31 -14.506 8.376 -1.907 1.00 0.00 C ATOM 457 CD GLU A 31 -16.015 8.267 -1.990 1.00 0.00 C ATOM 458 OE1 GLU A 31 -16.705 9.170 -1.473 1.00 0.00 O ATOM 459 OE2 GLU A 31 -16.509 7.278 -2.572 1.00 0.00 O ATOM 0 H GLU A 31 -13.068 10.647 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.224 8.759 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.194 7.473 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.571 9.184 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.180 9.270 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.055 7.523 -2.414 1.00 0.00 H new ATOM 466 N ASP A 32 -11.439 7.915 -2.369 1.00 0.00 N ATOM 467 CA ASP A 32 -10.666 6.975 -3.172 1.00 0.00 C ATOM 468 C ASP A 32 -9.254 6.816 -2.616 1.00 0.00 C ATOM 469 O ASP A 32 -8.743 5.703 -2.503 1.00 0.00 O ATOM 470 CB ASP A 32 -10.605 7.444 -4.628 1.00 0.00 C ATOM 471 CG ASP A 32 -11.972 7.487 -5.279 1.00 0.00 C ATOM 472 OD1 ASP A 32 -12.879 8.138 -4.715 1.00 0.00 O ATOM 473 OD2 ASP A 32 -12.138 6.872 -6.353 1.00 0.00 O ATOM 0 H ASP A 32 -11.759 8.740 -2.877 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.164 6.006 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.155 8.436 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.956 6.776 -5.195 1.00 0.00 H new ATOM 478 N GLU A 33 -8.630 7.940 -2.272 1.00 0.00 N ATOM 479 CA GLU A 33 -7.277 7.924 -1.730 1.00 0.00 C ATOM 480 C GLU A 33 -7.242 7.233 -0.370 1.00 0.00 C ATOM 481 O GLU A 33 -8.282 7.013 0.255 1.00 0.00 O ATOM 482 CB GLU A 33 -6.739 9.350 -1.601 1.00 0.00 C ATOM 483 CG GLU A 33 -6.373 9.985 -2.934 1.00 0.00 C ATOM 484 CD GLU A 33 -7.546 10.690 -3.585 1.00 0.00 C ATOM 485 OE1 GLU A 33 -7.815 11.855 -3.225 1.00 0.00 O ATOM 486 OE2 GLU A 33 -8.196 10.076 -4.457 1.00 0.00 O ATOM 0 H GLU A 33 -9.040 8.870 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.645 7.364 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.488 9.969 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.859 9.341 -0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.563 10.699 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.997 9.215 -3.608 1.00 0.00 H new ATOM 493 N LEU A 34 -6.042 6.889 0.083 1.00 0.00 N ATOM 494 CA LEU A 34 -5.871 6.221 1.368 1.00 0.00 C ATOM 495 C LEU A 34 -4.965 7.034 2.287 1.00 0.00 C ATOM 496 O LEU A 34 -3.966 7.602 1.848 1.00 0.00 O ATOM 497 CB LEU A 34 -5.287 4.822 1.166 1.00 0.00 C ATOM 498 CG LEU A 34 -5.600 3.799 2.257 1.00 0.00 C ATOM 499 CD1 LEU A 34 -5.394 2.384 1.739 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.737 4.050 3.486 1.00 0.00 C ATOM 0 H LEU A 34 -5.172 7.062 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.851 6.134 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.651 4.432 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.204 4.911 1.080 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.646 3.910 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.622 1.670 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.054 2.208 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.358 2.259 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.973 3.312 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.685 3.967 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.935 5.050 3.871 1.00 0.00 H new ATOM 512 N SER A 35 -5.320 7.083 3.568 1.00 0.00 N ATOM 513 CA SER A 35 -4.539 7.826 4.549 1.00 0.00 C ATOM 514 C SER A 35 -3.624 6.893 5.336 1.00 0.00 C ATOM 515 O SER A 35 -4.059 5.858 5.840 1.00 0.00 O ATOM 516 CB SER A 35 -5.468 8.575 5.508 1.00 0.00 C ATOM 517 OG SER A 35 -6.394 7.692 6.116 1.00 0.00 O ATOM 0 H SER A 35 -6.143 6.617 3.950 1.00 0.00 H new ATOM 0 HA SER A 35 -3.920 8.547 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.877 9.073 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.005 9.353 4.965 1.00 0.00 H new ATOM 0 HG SER A 35 -5.945 6.849 6.338 1.00 0.00 H new ATOM 523 N PHE A 36 -2.354 7.267 5.437 1.00 0.00 N ATOM 524 CA PHE A 36 -1.375 6.466 6.161 1.00 0.00 C ATOM 525 C PHE A 36 -0.264 7.344 6.729 1.00 0.00 C ATOM 526 O PHE A 36 -0.144 8.516 6.373 1.00 0.00 O ATOM 527 CB PHE A 36 -0.778 5.398 5.241 1.00 0.00 C ATOM 528 CG PHE A 36 -0.275 5.945 3.936 1.00 0.00 C ATOM 529 CD1 PHE A 36 -1.125 6.074 2.850 1.00 0.00 C ATOM 530 CD2 PHE A 36 1.049 6.332 3.795 1.00 0.00 C ATOM 531 CE1 PHE A 36 -0.666 6.578 1.646 1.00 0.00 C ATOM 532 CE2 PHE A 36 1.513 6.837 2.596 1.00 0.00 C ATOM 533 CZ PHE A 36 0.656 6.959 1.520 1.00 0.00 C ATOM 0 H PHE A 36 -1.978 8.121 5.026 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.886 5.977 6.991 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.043 4.902 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.534 4.639 5.040 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.159 5.777 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.725 6.238 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.339 6.673 0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.546 7.136 2.500 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.019 7.352 0.582 1.00 0.00 H new ATOM 543 N GLN A 37 0.545 6.769 7.611 1.00 0.00 N ATOM 544 CA GLN A 37 1.646 7.499 8.228 1.00 0.00 C ATOM 545 C GLN A 37 2.959 6.738 8.072 1.00 0.00 C ATOM 546 O GLN A 37 2.965 5.531 7.835 1.00 0.00 O ATOM 547 CB GLN A 37 1.357 7.741 9.712 1.00 0.00 C ATOM 548 CG GLN A 37 0.071 8.513 9.961 1.00 0.00 C ATOM 549 CD GLN A 37 -1.168 7.693 9.664 1.00 0.00 C ATOM 550 OE1 GLN A 37 -1.995 8.075 8.835 1.00 0.00 O ATOM 551 NE2 GLN A 37 -1.306 6.561 10.343 1.00 0.00 N ATOM 0 H GLN A 37 0.459 5.799 7.915 1.00 0.00 H new ATOM 0 HA GLN A 37 1.741 8.459 7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.300 6.781 10.224 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.191 8.288 10.152 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.044 8.842 11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.065 9.411 9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.596 6.283 11.021 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.122 5.969 10.187 1.00 0.00 H new ATOM 560 N GLU A 38 4.071 7.456 8.206 1.00 0.00 N ATOM 561 CA GLU A 38 5.391 6.847 8.078 1.00 0.00 C ATOM 562 C GLU A 38 5.523 5.635 8.997 1.00 0.00 C ATOM 563 O GLU A 38 5.598 5.774 10.217 1.00 0.00 O ATOM 564 CB GLU A 38 6.481 7.869 8.404 1.00 0.00 C ATOM 565 CG GLU A 38 7.887 7.294 8.362 1.00 0.00 C ATOM 566 CD GLU A 38 8.916 8.221 8.982 1.00 0.00 C ATOM 567 OE1 GLU A 38 8.825 9.445 8.751 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.812 7.723 9.695 1.00 0.00 O ATOM 0 H GLU A 38 4.084 8.457 8.403 1.00 0.00 H new ATOM 0 HA GLU A 38 5.511 6.514 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.415 8.696 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.296 8.281 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.901 6.339 8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.162 7.092 7.327 1.00 0.00 H new ATOM 575 N GLY A 39 5.551 4.448 8.400 1.00 0.00 N ATOM 576 CA GLY A 39 5.674 3.229 9.179 1.00 0.00 C ATOM 577 C GLY A 39 4.439 2.355 9.085 1.00 0.00 C ATOM 578 O GLY A 39 3.973 1.817 10.088 1.00 0.00 O ATOM 0 H GLY A 39 5.491 4.308 7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.541 2.666 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.856 3.485 10.223 1.00 0.00 H new ATOM 582 N ALA A 40 3.908 2.211 7.874 1.00 0.00 N ATOM 583 CA ALA A 40 2.721 1.396 7.653 1.00 0.00 C ATOM 584 C ALA A 40 2.944 0.398 6.521 1.00 0.00 C ATOM 585 O ALA A 40 3.424 0.760 5.448 1.00 0.00 O ATOM 586 CB ALA A 40 1.521 2.281 7.348 1.00 0.00 C ATOM 0 H ALA A 40 4.282 2.649 7.032 1.00 0.00 H new ATOM 0 HA ALA A 40 2.522 0.834 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.642 1.658 7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.340 2.951 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.721 2.868 6.452 1.00 0.00 H new ATOM 592 N ILE A 41 2.594 -0.859 6.770 1.00 0.00 N ATOM 593 CA ILE A 41 2.755 -1.909 5.771 1.00 0.00 C ATOM 594 C ILE A 41 1.493 -2.068 4.932 1.00 0.00 C ATOM 595 O ILE A 41 0.524 -2.698 5.362 1.00 0.00 O ATOM 596 CB ILE A 41 3.098 -3.260 6.426 1.00 0.00 C ATOM 597 CG1 ILE A 41 4.401 -3.151 7.222 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.205 -4.349 5.368 1.00 0.00 C ATOM 599 CD1 ILE A 41 5.601 -2.802 6.369 1.00 0.00 C ATOM 0 H ILE A 41 2.197 -1.176 7.655 1.00 0.00 H new ATOM 0 HA ILE A 41 3.580 -1.608 5.126 1.00 0.00 H new ATOM 0 HB ILE A 41 2.296 -3.527 7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.282 -2.393 7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.588 -4.098 7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.448 -5.298 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.255 -4.440 4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.989 -4.090 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.489 -2.741 6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.745 -3.572 5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.434 -1.841 5.883 1.00 0.00 H new ATOM 611 N ILE A 42 1.508 -1.498 3.733 1.00 0.00 N ATOM 612 CA ILE A 42 0.366 -1.579 2.832 1.00 0.00 C ATOM 613 C ILE A 42 0.627 -2.569 1.703 1.00 0.00 C ATOM 614 O ILE A 42 1.717 -2.601 1.129 1.00 0.00 O ATOM 615 CB ILE A 42 0.026 -0.203 2.227 1.00 0.00 C ATOM 616 CG1 ILE A 42 -0.236 0.817 3.338 1.00 0.00 C ATOM 617 CG2 ILE A 42 -1.179 -0.314 1.306 1.00 0.00 C ATOM 618 CD1 ILE A 42 -0.027 2.249 2.903 1.00 0.00 C ATOM 0 H ILE A 42 2.300 -0.974 3.362 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.481 -1.924 3.426 1.00 0.00 H new ATOM 0 HB ILE A 42 0.877 0.140 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.259 0.700 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.421 0.602 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.407 0.666 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.957 -1.012 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.038 -0.675 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.230 2.917 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.004 2.383 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.703 2.482 2.081 1.00 0.00 H new ATOM 630 N TYR A 43 -0.380 -3.374 1.384 1.00 0.00 N ATOM 631 CA TYR A 43 -0.261 -4.365 0.322 1.00 0.00 C ATOM 632 C TYR A 43 -0.710 -3.787 -1.017 1.00 0.00 C ATOM 633 O TYR A 43 -1.846 -3.337 -1.162 1.00 0.00 O ATOM 634 CB TYR A 43 -1.090 -5.607 0.658 1.00 0.00 C ATOM 635 CG TYR A 43 -0.594 -6.354 1.874 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.577 -7.104 1.823 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.294 -6.315 3.074 1.00 0.00 C ATOM 638 CE1 TYR A 43 1.033 -7.790 2.932 1.00 0.00 C ATOM 639 CE2 TYR A 43 -0.843 -6.998 4.186 1.00 0.00 C ATOM 640 CZ TYR A 43 0.320 -7.733 4.111 1.00 0.00 C ATOM 641 OH TYR A 43 0.773 -8.416 5.217 1.00 0.00 O ATOM 0 H TYR A 43 -1.289 -3.359 1.847 1.00 0.00 H new ATOM 0 HA TYR A 43 0.789 -4.648 0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.126 -5.309 0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.084 -6.280 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.138 -7.151 0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.206 -5.741 3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.943 -8.368 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.399 -6.956 5.111 1.00 0.00 H new ATOM 0 HH TYR A 43 0.157 -8.271 5.966 1.00 0.00 H new ATOM 651 N VAL A 44 0.192 -3.804 -1.993 1.00 0.00 N ATOM 652 CA VAL A 44 -0.110 -3.283 -3.322 1.00 0.00 C ATOM 653 C VAL A 44 -0.882 -4.304 -4.148 1.00 0.00 C ATOM 654 O VAL A 44 -0.313 -5.279 -4.640 1.00 0.00 O ATOM 655 CB VAL A 44 1.175 -2.893 -4.076 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.836 -2.287 -5.430 1.00 0.00 C ATOM 657 CG2 VAL A 44 2.009 -1.929 -3.246 1.00 0.00 C ATOM 0 H VAL A 44 1.137 -4.173 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.724 -2.393 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 44 1.764 -3.795 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.756 -2.017 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.283 -3.013 -6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.226 -1.395 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.913 -1.665 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.430 -1.028 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.282 -2.403 -2.303 1.00 0.00 H new ATOM 667 N ILE A 45 -2.183 -4.074 -4.300 1.00 0.00 N ATOM 668 CA ILE A 45 -3.033 -4.974 -5.070 1.00 0.00 C ATOM 669 C ILE A 45 -3.188 -4.487 -6.507 1.00 0.00 C ATOM 670 O ILE A 45 -3.296 -5.287 -7.437 1.00 0.00 O ATOM 671 CB ILE A 45 -4.428 -5.111 -4.433 1.00 0.00 C ATOM 672 CG1 ILE A 45 -5.070 -3.733 -4.254 1.00 0.00 C ATOM 673 CG2 ILE A 45 -4.332 -5.834 -3.097 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.539 -3.792 -3.902 1.00 0.00 C ATOM 0 H ILE A 45 -2.671 -3.272 -3.900 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.545 -5.949 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.058 -5.700 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.538 -3.193 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.948 -3.162 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.326 -5.923 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.913 -6.828 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.688 -5.269 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.927 -2.780 -3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.083 -4.304 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.667 -4.335 -2.966 1.00 0.00 H new ATOM 686 N LYS A 46 -3.196 -3.169 -6.682 1.00 0.00 N ATOM 687 CA LYS A 46 -3.335 -2.575 -8.005 1.00 0.00 C ATOM 688 C LYS A 46 -2.244 -1.538 -8.253 1.00 0.00 C ATOM 689 O LYS A 46 -1.837 -0.820 -7.340 1.00 0.00 O ATOM 690 CB LYS A 46 -4.713 -1.926 -8.155 1.00 0.00 C ATOM 691 CG LYS A 46 -4.956 -1.322 -9.527 1.00 0.00 C ATOM 692 CD LYS A 46 -5.482 -2.357 -10.508 1.00 0.00 C ATOM 693 CE LYS A 46 -5.724 -1.751 -11.881 1.00 0.00 C ATOM 694 NZ LYS A 46 -6.852 -0.779 -11.868 1.00 0.00 N ATOM 0 H LYS A 46 -3.108 -2.493 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.233 -3.370 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.481 -2.674 -7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.822 -1.147 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.670 -0.503 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.027 -0.897 -9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.768 -3.176 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.411 -2.781 -10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.818 -1.251 -12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.938 -2.546 -12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.096 -0.517 -12.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.679 -1.213 -11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.571 0.072 -11.341 1.00 0.00 H new ATOM 708 N LYS A 47 -1.775 -1.463 -9.494 1.00 0.00 N ATOM 709 CA LYS A 47 -0.735 -0.511 -9.863 1.00 0.00 C ATOM 710 C LYS A 47 -1.059 0.164 -11.193 1.00 0.00 C ATOM 711 O LYS A 47 -1.272 -0.504 -12.203 1.00 0.00 O ATOM 712 CB LYS A 47 0.621 -1.217 -9.957 1.00 0.00 C ATOM 713 CG LYS A 47 1.388 -1.235 -8.646 1.00 0.00 C ATOM 714 CD LYS A 47 2.859 -1.552 -8.866 1.00 0.00 C ATOM 715 CE LYS A 47 3.600 -0.366 -9.462 1.00 0.00 C ATOM 716 NZ LYS A 47 4.818 -0.792 -10.209 1.00 0.00 N ATOM 0 H LYS A 47 -2.099 -2.051 -10.262 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.689 0.255 -9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.465 -2.243 -10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.227 -0.723 -10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.293 -0.267 -8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.951 -1.977 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.318 -1.830 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.952 -2.412 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.935 0.179 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.884 0.322 -8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.296 0.045 -10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.464 -1.290 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.545 -1.429 -10.985 1.00 0.00 H new ATOM 730 N ASN A 48 -1.094 1.492 -11.182 1.00 0.00 N ATOM 731 CA ASN A 48 -1.394 2.258 -12.387 1.00 0.00 C ATOM 732 C ASN A 48 -0.118 2.821 -13.004 1.00 0.00 C ATOM 733 O ASN A 48 0.859 3.087 -12.302 1.00 0.00 O ATOM 734 CB ASN A 48 -2.364 3.397 -12.065 1.00 0.00 C ATOM 735 CG ASN A 48 -3.781 2.903 -11.846 1.00 0.00 C ATOM 736 OD1 ASN A 48 -4.267 2.033 -12.569 1.00 0.00 O ATOM 737 ND2 ASN A 48 -4.453 3.459 -10.843 1.00 0.00 N ATOM 0 H ASN A 48 -0.919 2.060 -10.353 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.860 1.586 -13.108 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.022 3.921 -11.172 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.356 4.120 -12.881 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.411 3.168 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.011 4.177 -10.269 1.00 0.00 H new ATOM 744 N ASP A 49 -0.133 3.003 -14.320 1.00 0.00 N ATOM 745 CA ASP A 49 1.023 3.537 -15.031 1.00 0.00 C ATOM 746 C ASP A 49 1.693 4.646 -14.226 1.00 0.00 C ATOM 747 O ASP A 49 2.908 4.636 -14.029 1.00 0.00 O ATOM 748 CB ASP A 49 0.604 4.069 -16.402 1.00 0.00 C ATOM 749 CG ASP A 49 -0.360 3.139 -17.113 1.00 0.00 C ATOM 750 OD1 ASP A 49 -1.567 3.181 -16.797 1.00 0.00 O ATOM 751 OD2 ASP A 49 0.093 2.369 -17.987 1.00 0.00 O ATOM 0 H ASP A 49 -0.933 2.789 -14.916 1.00 0.00 H new ATOM 0 HA ASP A 49 1.740 2.727 -15.167 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.139 5.048 -16.282 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.491 4.211 -17.020 1.00 0.00 H new ATOM 756 N ASP A 50 0.892 5.600 -13.762 1.00 0.00 N ATOM 757 CA ASP A 50 1.408 6.715 -12.976 1.00 0.00 C ATOM 758 C ASP A 50 1.731 6.275 -11.552 1.00 0.00 C ATOM 759 O ASP A 50 1.504 5.123 -11.182 1.00 0.00 O ATOM 760 CB ASP A 50 0.394 7.861 -12.952 1.00 0.00 C ATOM 761 CG ASP A 50 0.080 8.387 -14.338 1.00 0.00 C ATOM 762 OD1 ASP A 50 -0.185 7.562 -15.239 1.00 0.00 O ATOM 763 OD2 ASP A 50 0.101 9.621 -14.523 1.00 0.00 O ATOM 0 H ASP A 50 -0.116 5.623 -13.917 1.00 0.00 H new ATOM 0 HA ASP A 50 2.328 7.063 -13.446 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.527 7.518 -12.480 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.783 8.673 -12.338 1.00 0.00 H new ATOM 768 N GLY A 51 2.264 7.199 -10.758 1.00 0.00 N ATOM 769 CA GLY A 51 2.610 6.886 -9.384 1.00 0.00 C ATOM 770 C GLY A 51 1.393 6.785 -8.488 1.00 0.00 C ATOM 771 O GLY A 51 1.200 7.610 -7.594 1.00 0.00 O ATOM 0 H GLY A 51 2.462 8.158 -11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.157 5.944 -9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.279 7.654 -8.997 1.00 0.00 H new ATOM 775 N TRP A 52 0.566 5.774 -8.726 1.00 0.00 N ATOM 776 CA TRP A 52 -0.641 5.570 -7.933 1.00 0.00 C ATOM 777 C TRP A 52 -1.021 4.094 -7.890 1.00 0.00 C ATOM 778 O TRP A 52 -1.396 3.510 -8.909 1.00 0.00 O ATOM 779 CB TRP A 52 -1.798 6.390 -8.507 1.00 0.00 C ATOM 780 CG TRP A 52 -1.581 7.870 -8.406 1.00 0.00 C ATOM 781 CD1 TRP A 52 -1.041 8.686 -9.359 1.00 0.00 C ATOM 782 CD2 TRP A 52 -1.900 8.710 -7.291 1.00 0.00 C ATOM 783 NE1 TRP A 52 -1.004 9.982 -8.902 1.00 0.00 N ATOM 784 CE2 TRP A 52 -1.526 10.022 -7.636 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.465 8.480 -6.033 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -1.699 11.098 -6.770 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -2.636 9.548 -5.174 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.256 10.844 -5.545 1.00 0.00 C ATOM 0 H TRP A 52 0.709 5.082 -9.462 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.438 5.904 -6.915 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.941 6.121 -9.554 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.716 6.127 -7.982 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.694 8.361 -10.329 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.646 10.784 -9.421 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -2.763 7.485 -5.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.404 12.097 -7.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.070 9.381 -4.199 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.405 11.659 -4.852 1.00 0.00 H new ATOM 799 N TYR A 53 -0.924 3.496 -6.709 1.00 0.00 N ATOM 800 CA TYR A 53 -1.256 2.085 -6.537 1.00 0.00 C ATOM 801 C TYR A 53 -2.338 1.908 -5.476 1.00 0.00 C ATOM 802 O TYR A 53 -2.489 2.739 -4.581 1.00 0.00 O ATOM 803 CB TYR A 53 -0.009 1.291 -6.146 1.00 0.00 C ATOM 804 CG TYR A 53 1.254 1.775 -6.821 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.246 2.166 -8.154 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.455 1.842 -6.127 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.398 2.609 -8.776 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.612 2.284 -6.739 1.00 0.00 C ATOM 809 CZ TYR A 53 3.578 2.666 -8.064 1.00 0.00 C ATOM 810 OH TYR A 53 4.727 3.107 -8.680 1.00 0.00 O ATOM 0 H TYR A 53 -0.619 3.965 -5.856 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.636 1.708 -7.486 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.123 1.346 -5.065 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.164 0.241 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.324 2.123 -8.714 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.485 1.543 -5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.374 2.909 -9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.537 2.330 -6.184 1.00 0.00 H new ATOM 0 HH TYR A 53 5.469 3.088 -8.040 1.00 0.00 H new ATOM 820 N GLU A 54 -3.091 0.816 -5.584 1.00 0.00 N ATOM 821 CA GLU A 54 -4.160 0.529 -4.637 1.00 0.00 C ATOM 822 C GLU A 54 -3.744 -0.571 -3.664 1.00 0.00 C ATOM 823 O GLU A 54 -3.186 -1.590 -4.066 1.00 0.00 O ATOM 824 CB GLU A 54 -5.432 0.113 -5.378 1.00 0.00 C ATOM 825 CG GLU A 54 -6.712 0.481 -4.646 1.00 0.00 C ATOM 826 CD GLU A 54 -7.940 -0.166 -5.256 1.00 0.00 C ATOM 827 OE1 GLU A 54 -7.942 -0.394 -6.484 1.00 0.00 O ATOM 828 OE2 GLU A 54 -8.898 -0.444 -4.506 1.00 0.00 O ATOM 0 H GLU A 54 -2.979 0.117 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.360 1.438 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.439 0.582 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.413 -0.965 -5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.628 0.180 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.834 1.564 -4.657 1.00 0.00 H new ATOM 835 N GLY A 55 -4.017 -0.354 -2.381 1.00 0.00 N ATOM 836 CA GLY A 55 -3.664 -1.334 -1.370 1.00 0.00 C ATOM 837 C GLY A 55 -4.610 -1.312 -0.186 1.00 0.00 C ATOM 838 O GLY A 55 -5.271 -0.306 0.072 1.00 0.00 O ATOM 0 H GLY A 55 -4.477 0.483 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.668 -2.329 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.648 -1.144 -1.023 1.00 0.00 H new ATOM 842 N VAL A 56 -4.676 -2.425 0.537 1.00 0.00 N ATOM 843 CA VAL A 56 -5.548 -2.530 1.700 1.00 0.00 C ATOM 844 C VAL A 56 -4.789 -2.222 2.985 1.00 0.00 C ATOM 845 O VAL A 56 -3.663 -2.678 3.179 1.00 0.00 O ATOM 846 CB VAL A 56 -6.169 -3.936 1.810 1.00 0.00 C ATOM 847 CG1 VAL A 56 -7.101 -4.015 3.011 1.00 0.00 C ATOM 848 CG2 VAL A 56 -6.908 -4.293 0.529 1.00 0.00 C ATOM 0 H VAL A 56 -4.136 -3.267 0.338 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.344 -1.797 1.566 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.366 -4.659 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.531 -5.015 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.540 -3.804 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.901 -3.283 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.340 -5.289 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.702 -3.568 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.211 -4.278 -0.309 1.00 0.00 H new ATOM 858 N MET A 57 -5.414 -1.442 3.863 1.00 0.00 N ATOM 859 CA MET A 57 -4.797 -1.072 5.132 1.00 0.00 C ATOM 860 C MET A 57 -5.829 -1.065 6.255 1.00 0.00 C ATOM 861 O MET A 57 -6.805 -0.316 6.209 1.00 0.00 O ATOM 862 CB MET A 57 -4.136 0.302 5.021 1.00 0.00 C ATOM 863 CG MET A 57 -2.954 0.486 5.958 1.00 0.00 C ATOM 864 SD MET A 57 -2.174 2.102 5.786 1.00 0.00 S ATOM 865 CE MET A 57 -3.334 3.134 6.681 1.00 0.00 C ATOM 0 H MET A 57 -6.346 -1.055 3.719 1.00 0.00 H new ATOM 0 HA MET A 57 -4.035 -1.814 5.368 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.802 0.453 3.994 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.879 1.071 5.231 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.288 0.356 6.987 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.216 -0.292 5.762 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.873 4.098 6.896 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.228 3.286 6.076 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.608 2.646 7.617 1.00 0.00 H new ATOM 875 N ASN A 58 -5.605 -1.900 7.263 1.00 0.00 N ATOM 876 CA ASN A 58 -6.517 -1.991 8.398 1.00 0.00 C ATOM 877 C ASN A 58 -7.969 -2.010 7.930 1.00 0.00 C ATOM 878 O ASN A 58 -8.830 -1.353 8.513 1.00 0.00 O ATOM 879 CB ASN A 58 -6.294 -0.814 9.352 1.00 0.00 C ATOM 880 CG ASN A 58 -6.352 0.524 8.643 1.00 0.00 C ATOM 881 OD1 ASN A 58 -5.423 0.902 7.929 1.00 0.00 O ATOM 882 ND2 ASN A 58 -7.448 1.250 8.836 1.00 0.00 N ATOM 0 H ASN A 58 -4.800 -2.524 7.318 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.311 -2.923 8.924 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.049 -0.839 10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.324 -0.923 9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.544 2.159 8.384 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.194 0.898 9.436 1.00 0.00 H new ATOM 889 N GLY A 59 -8.235 -2.772 6.872 1.00 0.00 N ATOM 890 CA GLY A 59 -9.582 -2.865 6.343 1.00 0.00 C ATOM 891 C GLY A 59 -9.913 -1.729 5.398 1.00 0.00 C ATOM 892 O GLY A 59 -10.756 -1.873 4.512 1.00 0.00 O ATOM 0 H GLY A 59 -7.540 -3.327 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.699 -3.814 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.294 -2.866 7.168 1.00 0.00 H new ATOM 896 N VAL A 60 -9.249 -0.592 5.586 1.00 0.00 N ATOM 897 CA VAL A 60 -9.478 0.575 4.742 1.00 0.00 C ATOM 898 C VAL A 60 -8.712 0.463 3.428 1.00 0.00 C ATOM 899 O VAL A 60 -7.504 0.224 3.419 1.00 0.00 O ATOM 900 CB VAL A 60 -9.062 1.873 5.457 1.00 0.00 C ATOM 901 CG1 VAL A 60 -9.237 3.071 4.534 1.00 0.00 C ATOM 902 CG2 VAL A 60 -9.862 2.057 6.738 1.00 0.00 C ATOM 0 H VAL A 60 -8.549 -0.455 6.315 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.547 0.610 4.533 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.007 1.798 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.938 3.980 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.616 2.941 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.282 3.151 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.554 2.980 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.924 2.110 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.682 1.213 7.404 1.00 0.00 H new ATOM 912 N THR A 61 -9.424 0.637 2.318 1.00 0.00 N ATOM 913 CA THR A 61 -8.811 0.554 0.999 1.00 0.00 C ATOM 914 C THR A 61 -8.799 1.914 0.312 1.00 0.00 C ATOM 915 O THR A 61 -9.699 2.730 0.513 1.00 0.00 O ATOM 916 CB THR A 61 -9.548 -0.457 0.099 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.893 -1.623 0.854 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.687 -0.852 -1.091 1.00 0.00 C ATOM 0 H THR A 61 -10.424 0.836 2.307 1.00 0.00 H new ATOM 0 HA THR A 61 -7.785 0.216 1.148 1.00 0.00 H new ATOM 0 HB THR A 61 -10.457 0.016 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.362 -2.260 0.276 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.229 -1.566 -1.711 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.451 0.034 -1.680 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.763 -1.308 -0.736 1.00 0.00 H new ATOM 926 N GLY A 62 -7.775 2.154 -0.502 1.00 0.00 N ATOM 927 CA GLY A 62 -7.666 3.417 -1.207 1.00 0.00 C ATOM 928 C GLY A 62 -6.406 3.508 -2.044 1.00 0.00 C ATOM 929 O GLY A 62 -5.466 2.737 -1.850 1.00 0.00 O ATOM 0 H GLY A 62 -7.018 1.495 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.536 3.546 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.679 4.234 -0.486 1.00 0.00 H new ATOM 933 N LEU A 63 -6.387 4.450 -2.982 1.00 0.00 N ATOM 934 CA LEU A 63 -5.233 4.637 -3.854 1.00 0.00 C ATOM 935 C LEU A 63 -4.227 5.597 -3.227 1.00 0.00 C ATOM 936 O LEU A 63 -4.582 6.698 -2.806 1.00 0.00 O ATOM 937 CB LEU A 63 -5.681 5.168 -5.217 1.00 0.00 C ATOM 938 CG LEU A 63 -6.226 4.128 -6.196 1.00 0.00 C ATOM 939 CD1 LEU A 63 -7.210 4.770 -7.163 1.00 0.00 C ATOM 940 CD2 LEU A 63 -5.090 3.459 -6.954 1.00 0.00 C ATOM 0 H LEU A 63 -7.157 5.095 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.749 3.670 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.450 5.924 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.834 5.670 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.754 3.363 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.588 4.015 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.041 5.200 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.707 5.556 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.498 2.722 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.533 4.211 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.424 2.964 -6.248 1.00 0.00 H new ATOM 952 N PHE A 64 -2.969 5.173 -3.170 1.00 0.00 N ATOM 953 CA PHE A 64 -1.910 5.995 -2.596 1.00 0.00 C ATOM 954 C PHE A 64 -0.820 6.274 -3.626 1.00 0.00 C ATOM 955 O PHE A 64 -0.529 5.455 -4.499 1.00 0.00 O ATOM 956 CB PHE A 64 -1.306 5.304 -1.372 1.00 0.00 C ATOM 957 CG PHE A 64 -0.809 3.916 -1.652 1.00 0.00 C ATOM 958 CD1 PHE A 64 -1.648 2.821 -1.506 1.00 0.00 C ATOM 959 CD2 PHE A 64 0.498 3.702 -2.062 1.00 0.00 C ATOM 960 CE1 PHE A 64 -1.192 1.542 -1.762 1.00 0.00 C ATOM 961 CE2 PHE A 64 0.958 2.425 -2.322 1.00 0.00 C ATOM 962 CZ PHE A 64 0.112 1.343 -2.171 1.00 0.00 C ATOM 0 H PHE A 64 -2.658 4.265 -3.514 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.347 6.945 -2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.481 5.908 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.056 5.260 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.669 2.970 -1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.165 4.543 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.855 0.698 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.978 2.273 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.470 0.344 -2.372 1.00 0.00 H new ATOM 972 N PRO A 65 -0.200 7.461 -3.525 1.00 0.00 N ATOM 973 CA PRO A 65 0.868 7.876 -4.439 1.00 0.00 C ATOM 974 C PRO A 65 2.150 7.079 -4.232 1.00 0.00 C ATOM 975 O PRO A 65 2.706 7.050 -3.135 1.00 0.00 O ATOM 976 CB PRO A 65 1.090 9.348 -4.079 1.00 0.00 C ATOM 977 CG PRO A 65 0.636 9.464 -2.663 1.00 0.00 C ATOM 978 CD PRO A 65 -0.494 8.486 -2.509 1.00 0.00 C ATOM 0 HA PRO A 65 0.598 7.713 -5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.138 9.627 -4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.518 10.006 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.448 9.234 -1.973 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.307 10.479 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.523 8.061 -1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.461 8.958 -2.683 1.00 0.00 H new ATOM 986 N GLY A 66 2.618 6.433 -5.296 1.00 0.00 N ATOM 987 CA GLY A 66 3.833 5.643 -5.210 1.00 0.00 C ATOM 988 C GLY A 66 5.028 6.464 -4.768 1.00 0.00 C ATOM 989 O GLY A 66 6.083 5.916 -4.455 1.00 0.00 O ATOM 0 H GLY A 66 2.178 6.443 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.680 4.823 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.042 5.197 -6.182 1.00 0.00 H new ATOM 993 N ASN A 67 4.861 7.783 -4.743 1.00 0.00 N ATOM 994 CA ASN A 67 5.936 8.682 -4.339 1.00 0.00 C ATOM 995 C ASN A 67 6.105 8.677 -2.822 1.00 0.00 C ATOM 996 O ASN A 67 7.213 8.842 -2.312 1.00 0.00 O ATOM 997 CB ASN A 67 5.651 10.103 -4.827 1.00 0.00 C ATOM 998 CG ASN A 67 5.385 10.160 -6.318 1.00 0.00 C ATOM 999 OD1 ASN A 67 6.313 10.227 -7.124 1.00 0.00 O ATOM 1000 ND2 ASN A 67 4.111 10.133 -6.693 1.00 0.00 N ATOM 0 H ASN A 67 3.992 8.252 -4.998 1.00 0.00 H new ATOM 0 HA ASN A 67 6.862 8.329 -4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.789 10.502 -4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.500 10.743 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.870 10.168 -7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.374 10.077 -5.990 1.00 0.00 H new ATOM 1007 N TYR A 68 5.002 8.485 -2.109 1.00 0.00 N ATOM 1008 CA TYR A 68 5.027 8.461 -0.652 1.00 0.00 C ATOM 1009 C TYR A 68 5.070 7.028 -0.132 1.00 0.00 C ATOM 1010 O TYR A 68 4.485 6.712 0.905 1.00 0.00 O ATOM 1011 CB TYR A 68 3.805 9.184 -0.085 1.00 0.00 C ATOM 1012 CG TYR A 68 3.739 10.647 -0.460 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.512 11.039 -1.773 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.904 11.638 0.500 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.453 12.375 -2.120 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.845 12.976 0.162 1.00 0.00 C ATOM 1017 CZ TYR A 68 3.620 13.340 -1.149 1.00 0.00 C ATOM 1018 OH TYR A 68 3.561 14.672 -1.489 1.00 0.00 O ATOM 0 H TYR A 68 4.078 8.343 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 68 5.929 8.976 -0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.902 8.686 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.813 9.096 1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.379 10.286 -2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.081 11.357 1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.277 12.662 -3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.974 13.734 0.921 1.00 0.00 H new ATOM 0 HH TYR A 68 3.698 15.220 -0.688 1.00 0.00 H new ATOM 1028 N VAL A 69 5.769 6.161 -0.859 1.00 0.00 N ATOM 1029 CA VAL A 69 5.891 4.760 -0.472 1.00 0.00 C ATOM 1030 C VAL A 69 7.073 4.098 -1.171 1.00 0.00 C ATOM 1031 O VAL A 69 7.483 4.520 -2.252 1.00 0.00 O ATOM 1032 CB VAL A 69 4.608 3.974 -0.800 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.491 4.351 0.160 1.00 0.00 C ATOM 1034 CG2 VAL A 69 4.188 4.217 -2.243 1.00 0.00 C ATOM 0 H VAL A 69 6.260 6.405 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 69 6.054 4.742 0.606 1.00 0.00 H new ATOM 0 HB VAL A 69 4.814 2.910 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.592 3.786 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.795 4.120 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.283 5.418 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.280 3.654 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.000 5.280 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.983 3.891 -2.913 1.00 0.00 H new ATOM 1044 N GLU A 70 7.616 3.059 -0.546 1.00 0.00 N ATOM 1045 CA GLU A 70 8.753 2.339 -1.109 1.00 0.00 C ATOM 1046 C GLU A 70 8.494 0.835 -1.117 1.00 0.00 C ATOM 1047 O GLU A 70 7.865 0.298 -0.205 1.00 0.00 O ATOM 1048 CB GLU A 70 10.024 2.644 -0.314 1.00 0.00 C ATOM 1049 CG GLU A 70 9.988 2.125 1.113 1.00 0.00 C ATOM 1050 CD GLU A 70 11.373 1.943 1.703 1.00 0.00 C ATOM 1051 OE1 GLU A 70 12.128 2.937 1.761 1.00 0.00 O ATOM 1052 OE2 GLU A 70 11.703 0.808 2.106 1.00 0.00 O ATOM 0 H GLU A 70 7.288 2.697 0.349 1.00 0.00 H new ATOM 0 HA GLU A 70 8.888 2.673 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.879 2.206 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.181 3.722 -0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.421 2.819 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.459 1.172 1.136 1.00 0.00 H new ATOM 1059 N SER A 71 8.981 0.161 -2.155 1.00 0.00 N ATOM 1060 CA SER A 71 8.799 -1.280 -2.284 1.00 0.00 C ATOM 1061 C SER A 71 9.875 -2.034 -1.509 1.00 0.00 C ATOM 1062 O SER A 71 11.068 -1.886 -1.775 1.00 0.00 O ATOM 1063 CB SER A 71 8.834 -1.688 -3.758 1.00 0.00 C ATOM 1064 OG SER A 71 7.856 -0.987 -4.506 1.00 0.00 O ATOM 0 H SER A 71 9.504 0.590 -2.918 1.00 0.00 H new ATOM 0 HA SER A 71 7.826 -1.539 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.823 -1.488 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.663 -2.761 -3.845 1.00 0.00 H new ATOM 0 HG SER A 71 6.976 -1.392 -4.355 1.00 0.00 H new ATOM 1070 N ILE A 72 9.443 -2.846 -0.549 1.00 0.00 N ATOM 1071 CA ILE A 72 10.368 -3.626 0.263 1.00 0.00 C ATOM 1072 C ILE A 72 10.464 -5.063 -0.238 1.00 0.00 C ATOM 1073 O ILE A 72 11.518 -5.693 -0.149 1.00 0.00 O ATOM 1074 CB ILE A 72 9.944 -3.638 1.744 1.00 0.00 C ATOM 1075 CG1 ILE A 72 8.480 -4.066 1.874 1.00 0.00 C ATOM 1076 CG2 ILE A 72 10.159 -2.268 2.368 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.026 -4.239 3.306 1.00 0.00 C ATOM 0 H ILE A 72 8.459 -2.980 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 72 11.344 -3.148 0.176 1.00 0.00 H new ATOM 0 HB ILE A 72 10.563 -4.359 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.848 -3.322 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.336 -5.005 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.855 -2.293 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.214 -2.000 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.563 -1.528 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.979 -4.543 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.633 -5.004 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.138 -3.295 3.840 1.00 0.00 H new ATOM 1089 N SER A 73 9.358 -5.575 -0.767 1.00 0.00 N ATOM 1090 CA SER A 73 9.317 -6.938 -1.283 1.00 0.00 C ATOM 1091 C SER A 73 10.282 -7.107 -2.450 1.00 0.00 C ATOM 1092 O SER A 73 10.628 -6.142 -3.131 1.00 0.00 O ATOM 1093 CB SER A 73 7.896 -7.295 -1.724 1.00 0.00 C ATOM 1094 OG SER A 73 7.871 -8.539 -2.404 1.00 0.00 O ATOM 0 H SER A 73 8.478 -5.066 -0.850 1.00 0.00 H new ATOM 0 HA SER A 73 9.622 -7.613 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.242 -7.340 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.507 -6.513 -2.376 1.00 0.00 H new ATOM 0 HG SER A 73 6.952 -8.746 -2.674 1.00 0.00 H new ATOM 1100 N GLY A 74 10.717 -8.343 -2.678 1.00 0.00 N ATOM 1101 CA GLY A 74 11.638 -8.619 -3.764 1.00 0.00 C ATOM 1102 C GLY A 74 12.354 -9.945 -3.597 1.00 0.00 C ATOM 1103 O GLY A 74 12.361 -10.538 -2.518 1.00 0.00 O ATOM 0 H GLY A 74 10.447 -9.159 -2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.092 -8.621 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.374 -7.817 -3.824 1.00 0.00 H new ATOM 1107 N PRO A 75 12.968 -10.431 -4.684 1.00 0.00 N ATOM 1108 CA PRO A 75 13.699 -11.702 -4.680 1.00 0.00 C ATOM 1109 C PRO A 75 14.986 -11.627 -3.864 1.00 0.00 C ATOM 1110 O PRO A 75 15.870 -10.822 -4.156 1.00 0.00 O ATOM 1111 CB PRO A 75 14.016 -11.935 -6.159 1.00 0.00 C ATOM 1112 CG PRO A 75 14.023 -10.573 -6.763 1.00 0.00 C ATOM 1113 CD PRO A 75 12.999 -9.778 -6.004 1.00 0.00 C ATOM 0 HA PRO A 75 13.119 -12.504 -4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.980 -12.429 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.267 -12.573 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.009 -10.116 -6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.776 -10.615 -7.824 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.282 -8.728 -5.926 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.024 -9.810 -6.491 1.00 0.00 H new ATOM 1121 N SER A 76 15.084 -12.472 -2.841 1.00 0.00 N ATOM 1122 CA SER A 76 16.261 -12.498 -1.983 1.00 0.00 C ATOM 1123 C SER A 76 16.566 -11.108 -1.435 1.00 0.00 C ATOM 1124 O SER A 76 17.721 -10.683 -1.398 1.00 0.00 O ATOM 1125 CB SER A 76 17.470 -13.032 -2.755 1.00 0.00 C ATOM 1126 OG SER A 76 18.447 -13.558 -1.873 1.00 0.00 O ATOM 0 H SER A 76 14.362 -13.147 -2.588 1.00 0.00 H new ATOM 0 HA SER A 76 16.053 -13.162 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 76 17.148 -13.807 -3.450 1.00 0.00 H new ATOM 0 HB3 SER A 76 17.907 -12.231 -3.351 1.00 0.00 H new ATOM 0 HG SER A 76 19.208 -13.894 -2.391 1.00 0.00 H new ATOM 1132 N SER A 77 15.521 -10.404 -1.009 1.00 0.00 N ATOM 1133 CA SER A 77 15.676 -9.059 -0.467 1.00 0.00 C ATOM 1134 C SER A 77 15.020 -8.949 0.906 1.00 0.00 C ATOM 1135 O SER A 77 13.933 -9.481 1.132 1.00 0.00 O ATOM 1136 CB SER A 77 15.066 -8.029 -1.419 1.00 0.00 C ATOM 1137 OG SER A 77 15.694 -8.073 -2.688 1.00 0.00 O ATOM 0 H SER A 77 14.559 -10.743 -1.029 1.00 0.00 H new ATOM 0 HA SER A 77 16.742 -8.858 -0.360 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.999 -8.220 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.168 -7.031 -0.994 1.00 0.00 H new ATOM 0 HG SER A 77 15.595 -8.970 -3.071 1.00 0.00 H new ATOM 1143 N GLY A 78 15.690 -8.254 1.821 1.00 0.00 N ATOM 1144 CA GLY A 78 15.158 -8.086 3.161 1.00 0.00 C ATOM 1145 C GLY A 78 13.978 -7.137 3.202 1.00 0.00 C ATOM 1146 O GLY A 78 13.083 -7.284 4.034 1.00 0.00 O ATOM 0 H GLY A 78 16.591 -7.805 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.853 -9.057 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.944 -7.711 3.816 1.00 0.00 H new TER 1150 GLY A 78