USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 786 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 31 GLN : amide:sc= -0.521 X(o=-0.49,f=-0.59) USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= -0.268 (180deg=-0.907) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0959 X(o=-0.096,f=-0.46) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0691 USER MOD Single : A 35 THR OG1 : rot -149:sc= 0.0735 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.2) USER MOD Single : A 60 HIS : no HD1:sc= -0.0941 X(o=-0.094,f=-0.36) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.226 X(o=0.23,f=-0.014) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-3.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 122:sc= -0.88! USER MOD Single : A 83 GLN : amide:sc= 0.232 K(o=0.23,f=-1.2) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.4!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 80:sc= 0.247 USER MOD Single : A 98 SER OG : rot -170:sc= 0.00222 USER MOD Single : A 102 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-2.1!) USER MOD Single : A 104 THR OG1 : rot 160:sc= -0.785 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00477 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 17.389 -4.444 2.620 1.00 1.09 N ATOM 78 CA LYS A 7 15.941 -4.610 2.640 1.00 1.10 C ATOM 79 C LYS A 7 15.276 -3.450 3.384 1.00 0.91 C ATOM 80 O LYS A 7 15.433 -3.313 4.598 1.00 0.98 O ATOM 81 CB LYS A 7 15.577 -5.942 3.299 1.00 1.37 C ATOM 82 CG LYS A 7 14.091 -6.111 3.566 1.00 1.06 C ATOM 83 CD LYS A 7 13.787 -6.067 5.054 1.00 1.05 C ATOM 84 CE LYS A 7 14.113 -7.389 5.730 1.00 1.34 C ATOM 85 NZ LYS A 7 13.405 -8.529 5.088 1.00 2.06 N ATOM 0 HA LYS A 7 15.576 -4.612 1.613 1.00 1.10 H new ATOM 0 HB2 LYS A 7 15.916 -6.757 2.660 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.118 -6.030 4.241 1.00 1.37 H new ATOM 0 HG2 LYS A 7 13.536 -5.323 3.056 1.00 1.06 H new ATOM 0 HG3 LYS A 7 13.751 -7.060 3.151 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.363 -5.267 5.520 1.00 1.05 H new ATOM 0 HD3 LYS A 7 12.734 -5.831 5.204 1.00 1.05 H new ATOM 0 HE2 LYS A 7 15.189 -7.561 5.691 1.00 1.34 H new ATOM 0 HE3 LYS A 7 13.836 -7.336 6.783 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 13.056 -9.178 5.822 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 12.602 -8.171 4.532 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 14.061 -9.036 4.461 1.00 2.06 H new ATOM 99 N PRO A 8 14.534 -2.586 2.662 1.00 0.74 N ATOM 100 CA PRO A 8 13.861 -1.431 3.264 1.00 0.60 C ATOM 101 C PRO A 8 12.914 -1.827 4.389 1.00 0.52 C ATOM 102 O PRO A 8 12.188 -2.817 4.284 1.00 0.60 O ATOM 103 CB PRO A 8 13.075 -0.818 2.102 1.00 0.61 C ATOM 104 CG PRO A 8 13.765 -1.296 0.874 1.00 0.84 C ATOM 105 CD PRO A 8 14.303 -2.659 1.206 1.00 0.81 C ATOM 0 HA PRO A 8 14.576 -0.746 3.720 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.033 -1.138 2.119 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.075 0.271 2.156 1.00 0.61 H new ATOM 0 HG2 PRO A 8 13.075 -1.343 0.032 1.00 0.84 H new ATOM 0 HG3 PRO A 8 14.569 -0.618 0.589 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.593 -3.445 0.950 1.00 0.81 H new ATOM 0 HD3 PRO A 8 15.224 -2.872 0.663 1.00 0.81 H new ATOM 113 N ASP A 9 12.922 -1.043 5.459 1.00 0.44 N ATOM 114 CA ASP A 9 12.059 -1.300 6.603 1.00 0.48 C ATOM 115 C ASP A 9 10.592 -1.132 6.209 1.00 0.41 C ATOM 116 O ASP A 9 10.290 -0.507 5.195 1.00 0.41 O ATOM 117 CB ASP A 9 12.404 -0.340 7.746 1.00 0.61 C ATOM 118 CG ASP A 9 12.846 -1.064 9.003 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.374 -2.190 8.888 1.00 1.19 O ATOM 120 OD2 ASP A 9 12.663 -0.504 10.104 1.00 1.53 O ATOM 0 H ASP A 9 13.519 -0.222 5.558 1.00 0.44 H new ATOM 0 HA ASP A 9 12.218 -2.325 6.937 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.197 0.335 7.422 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.534 0.276 7.973 1.00 0.61 H new ATOM 125 N PRO A 10 9.654 -1.687 6.999 1.00 0.56 N ATOM 126 CA PRO A 10 8.222 -1.574 6.704 1.00 0.74 C ATOM 127 C PRO A 10 7.786 -0.114 6.567 1.00 0.67 C ATOM 128 O PRO A 10 8.052 0.700 7.452 1.00 0.97 O ATOM 129 CB PRO A 10 7.551 -2.220 7.920 1.00 1.05 C ATOM 130 CG PRO A 10 8.585 -3.130 8.488 1.00 1.12 C ATOM 131 CD PRO A 10 9.905 -2.463 8.229 1.00 0.78 C ATOM 0 HA PRO A 10 7.958 -2.049 5.759 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.243 -1.469 8.647 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.655 -2.770 7.632 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.427 -3.283 9.556 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.544 -4.112 8.016 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.201 -1.820 9.058 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.704 -3.191 8.090 1.00 0.78 H new ATOM 139 N PRO A 11 7.112 0.243 5.453 1.00 0.37 N ATOM 140 CA PRO A 11 6.648 1.612 5.214 1.00 0.38 C ATOM 141 C PRO A 11 5.929 2.190 6.427 1.00 0.28 C ATOM 142 O PRO A 11 5.212 1.479 7.130 1.00 0.35 O ATOM 143 CB PRO A 11 5.680 1.480 4.026 1.00 0.50 C ATOM 144 CG PRO A 11 5.531 0.014 3.772 1.00 0.64 C ATOM 145 CD PRO A 11 6.751 -0.648 4.345 1.00 0.41 C ATOM 0 HA PRO A 11 7.478 2.290 5.016 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.717 1.935 4.256 1.00 0.50 H new ATOM 0 HB3 PRO A 11 6.072 1.990 3.146 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.625 -0.370 4.241 1.00 0.64 H new ATOM 0 HG3 PRO A 11 5.447 -0.187 2.704 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.538 -1.659 4.692 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.552 -0.725 3.610 1.00 0.41 H new ATOM 153 N GLU A 12 6.135 3.479 6.676 1.00 0.28 N ATOM 154 CA GLU A 12 5.512 4.141 7.817 1.00 0.30 C ATOM 155 C GLU A 12 4.456 5.146 7.373 1.00 0.28 C ATOM 156 O GLU A 12 4.289 5.403 6.181 1.00 0.31 O ATOM 157 CB GLU A 12 6.571 4.839 8.665 1.00 0.47 C ATOM 158 CG GLU A 12 6.464 4.518 10.145 1.00 0.98 C ATOM 159 CD GLU A 12 7.298 5.445 11.001 1.00 1.58 C ATOM 160 OE1 GLU A 12 7.072 6.671 10.938 1.00 2.09 O ATOM 161 OE2 GLU A 12 8.175 4.946 11.736 1.00 2.11 O ATOM 0 H GLU A 12 6.726 4.084 6.106 1.00 0.28 H new ATOM 0 HA GLU A 12 5.018 3.375 8.415 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.560 4.550 8.309 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.484 5.917 8.527 1.00 0.47 H new ATOM 0 HG2 GLU A 12 5.421 4.585 10.453 1.00 0.98 H new ATOM 0 HG3 GLU A 12 6.781 3.489 10.314 1.00 0.98 H new ATOM 168 N ASN A 13 3.740 5.704 8.349 1.00 0.33 N ATOM 169 CA ASN A 13 2.687 6.677 8.078 1.00 0.37 C ATOM 170 C ASN A 13 1.679 6.114 7.083 1.00 0.32 C ATOM 171 O ASN A 13 1.087 6.851 6.294 1.00 0.35 O ATOM 172 CB ASN A 13 3.281 7.983 7.545 1.00 0.45 C ATOM 173 CG ASN A 13 2.420 9.185 7.884 1.00 0.62 C ATOM 174 OD1 ASN A 13 2.252 9.533 9.052 1.00 0.82 O ATOM 175 ND2 ASN A 13 1.865 9.824 6.861 1.00 1.01 N ATOM 0 H ASN A 13 3.873 5.496 9.339 1.00 0.33 H new ATOM 0 HA ASN A 13 2.172 6.887 9.015 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.278 8.123 7.962 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.395 7.913 6.463 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.273 10.637 7.028 1.00 1.01 H new ATOM 0 HD22 ASN A 13 2.031 9.501 5.908 1.00 1.01 H new ATOM 182 N VAL A 14 1.493 4.799 7.128 1.00 0.30 N ATOM 183 CA VAL A 14 0.560 4.127 6.233 1.00 0.29 C ATOM 184 C VAL A 14 -0.872 4.245 6.741 1.00 0.32 C ATOM 185 O VAL A 14 -1.295 3.492 7.619 1.00 0.47 O ATOM 186 CB VAL A 14 0.912 2.636 6.064 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.241 2.068 4.823 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.420 2.442 6.000 1.00 0.69 C ATOM 0 H VAL A 14 1.977 4.177 7.776 1.00 0.30 H new ATOM 0 HA VAL A 14 0.642 4.622 5.265 1.00 0.29 H new ATOM 0 HB VAL A 14 0.539 2.094 6.933 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.500 1.014 4.719 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.840 2.168 4.916 1.00 0.45 H new ATOM 0 HG13 VAL A 14 0.581 2.614 3.943 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.646 1.382 5.881 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.823 2.997 5.152 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.873 2.808 6.921 1.00 0.69 H new ATOM 198 N VAL A 15 -1.612 5.198 6.183 1.00 0.27 N ATOM 199 CA VAL A 15 -2.999 5.421 6.575 1.00 0.35 C ATOM 200 C VAL A 15 -3.920 5.435 5.360 1.00 0.34 C ATOM 201 O VAL A 15 -3.748 6.245 4.448 1.00 0.39 O ATOM 202 CB VAL A 15 -3.173 6.752 7.339 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.742 6.499 8.725 1.00 1.34 C ATOM 204 CG2 VAL A 15 -1.855 7.509 7.429 1.00 1.48 C ATOM 0 H VAL A 15 -1.273 5.829 5.457 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.269 4.594 7.232 1.00 0.35 H new ATOM 0 HB VAL A 15 -3.877 7.371 6.783 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.858 7.448 9.249 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -4.713 6.012 8.636 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -3.063 5.856 9.285 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.008 8.442 7.972 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.120 6.899 7.955 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -1.492 7.729 6.425 1.00 1.48 H new ATOM 214 N ALA A 16 -4.903 4.541 5.357 1.00 0.35 N ATOM 215 CA ALA A 16 -5.858 4.461 4.259 1.00 0.38 C ATOM 216 C ALA A 16 -7.129 5.232 4.599 1.00 0.36 C ATOM 217 O ALA A 16 -7.981 4.747 5.344 1.00 0.39 O ATOM 218 CB ALA A 16 -6.180 3.010 3.942 1.00 0.45 C ATOM 0 H ALA A 16 -5.059 3.862 6.102 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.409 4.915 3.375 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -6.894 2.967 3.120 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.266 2.489 3.656 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.610 2.532 4.822 1.00 0.45 H new ATOM 224 N ARG A 17 -7.238 6.442 4.062 1.00 0.37 N ATOM 225 CA ARG A 17 -8.392 7.297 4.319 1.00 0.37 C ATOM 226 C ARG A 17 -9.447 7.159 3.222 1.00 0.35 C ATOM 227 O ARG A 17 -9.118 7.118 2.039 1.00 0.48 O ATOM 228 CB ARG A 17 -7.940 8.754 4.425 1.00 0.50 C ATOM 229 CG ARG A 17 -8.979 9.675 5.039 1.00 1.21 C ATOM 230 CD ARG A 17 -8.358 10.981 5.501 1.00 1.69 C ATOM 231 NE ARG A 17 -7.217 10.761 6.384 1.00 2.32 N ATOM 232 CZ ARG A 17 -5.963 11.035 6.046 1.00 3.06 C ATOM 233 NH1 ARG A 17 -5.689 11.532 4.848 1.00 3.37 N ATOM 234 NH2 ARG A 17 -4.979 10.814 6.906 1.00 3.99 N ATOM 0 H ARG A 17 -6.539 6.854 3.444 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.844 6.982 5.259 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.029 8.800 5.022 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -7.687 9.119 3.430 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -9.762 9.881 4.309 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -9.454 9.177 5.884 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -8.039 11.558 4.633 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -9.109 11.576 6.020 1.00 1.69 H new ATOM 0 HE ARG A 17 -7.393 10.376 7.312 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -6.443 11.705 4.183 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -4.724 11.742 4.591 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -5.185 10.433 7.829 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -4.016 11.025 6.644 1.00 3.99 H new ATOM 248 N PRO A 18 -10.739 7.095 3.602 1.00 0.31 N ATOM 249 CA PRO A 18 -11.833 6.972 2.650 1.00 0.38 C ATOM 250 C PRO A 18 -12.321 8.331 2.154 1.00 0.39 C ATOM 251 O PRO A 18 -12.602 9.227 2.950 1.00 0.46 O ATOM 252 CB PRO A 18 -12.922 6.269 3.461 1.00 0.49 C ATOM 253 CG PRO A 18 -12.619 6.546 4.904 1.00 0.57 C ATOM 254 CD PRO A 18 -11.234 7.145 4.985 1.00 0.43 C ATOM 0 HA PRO A 18 -11.539 6.433 1.749 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.910 6.644 3.192 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -12.923 5.197 3.263 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.356 7.232 5.323 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.671 5.627 5.487 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -11.264 8.168 5.361 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.593 6.576 5.658 1.00 0.43 H new ATOM 262 N VAL A 19 -12.417 8.475 0.836 1.00 0.40 N ATOM 263 CA VAL A 19 -12.869 9.725 0.232 1.00 0.45 C ATOM 264 C VAL A 19 -14.381 9.892 0.388 1.00 0.48 C ATOM 265 O VAL A 19 -15.152 9.045 -0.063 1.00 0.47 O ATOM 266 CB VAL A 19 -12.505 9.787 -1.264 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.798 11.167 -1.833 1.00 0.59 C ATOM 268 CG2 VAL A 19 -11.045 9.416 -1.475 1.00 0.52 C ATOM 0 H VAL A 19 -12.188 7.742 0.165 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.361 10.536 0.754 1.00 0.45 H new ATOM 0 HB VAL A 19 -13.122 9.063 -1.796 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.534 11.188 -2.890 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.859 11.389 -1.720 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.212 11.913 -1.297 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.807 9.466 -2.538 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.410 10.113 -0.928 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.871 8.404 -1.111 1.00 0.52 H new ATOM 278 N PRO A 20 -14.831 10.985 1.037 1.00 0.58 N ATOM 279 CA PRO A 20 -16.261 11.239 1.251 1.00 0.69 C ATOM 280 C PRO A 20 -16.995 11.623 -0.032 1.00 0.70 C ATOM 281 O PRO A 20 -18.226 11.640 -0.069 1.00 1.27 O ATOM 282 CB PRO A 20 -16.271 12.406 2.241 1.00 0.84 C ATOM 283 CG PRO A 20 -14.978 13.109 2.017 1.00 0.97 C ATOM 284 CD PRO A 20 -13.988 12.048 1.621 1.00 0.67 C ATOM 0 HA PRO A 20 -16.777 10.348 1.610 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -17.117 13.069 2.062 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.355 12.052 3.268 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -15.075 13.863 1.235 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.654 13.626 2.920 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.263 12.426 0.900 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.424 11.685 2.480 1.00 0.67 H new ATOM 292 N SER A 21 -16.239 11.932 -1.079 1.00 0.80 N ATOM 293 CA SER A 21 -16.828 12.315 -2.359 1.00 0.85 C ATOM 294 C SER A 21 -16.965 11.108 -3.282 1.00 0.65 C ATOM 295 O SER A 21 -17.574 11.195 -4.349 1.00 0.69 O ATOM 296 CB SER A 21 -15.976 13.390 -3.035 1.00 1.07 C ATOM 297 OG SER A 21 -15.526 14.351 -2.096 1.00 1.49 O ATOM 0 H SER A 21 -15.219 11.925 -1.068 1.00 0.80 H new ATOM 0 HA SER A 21 -17.823 12.715 -2.164 1.00 0.85 H new ATOM 0 HB2 SER A 21 -15.119 12.925 -3.523 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.558 13.883 -3.814 1.00 1.07 H new ATOM 0 HG SER A 21 -14.982 15.026 -2.554 1.00 1.49 H new ATOM 303 N ASN A 22 -16.392 9.985 -2.864 1.00 0.55 N ATOM 304 CA ASN A 22 -16.444 8.758 -3.651 1.00 0.44 C ATOM 305 C ASN A 22 -16.677 7.545 -2.748 1.00 0.40 C ATOM 306 O ASN A 22 -15.838 7.222 -1.909 1.00 0.43 O ATOM 307 CB ASN A 22 -15.144 8.582 -4.436 1.00 0.57 C ATOM 308 CG ASN A 22 -15.351 7.839 -5.742 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.932 6.754 -5.767 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.872 8.419 -6.836 1.00 1.28 N ATOM 0 H ASN A 22 -15.885 9.899 -1.983 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.277 8.834 -4.350 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.713 9.561 -4.643 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.424 8.040 -3.823 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.979 7.964 -7.743 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -14.397 9.319 -6.770 1.00 1.28 H new ATOM 317 N PRO A 23 -17.827 6.859 -2.903 1.00 0.40 N ATOM 318 CA PRO A 23 -18.164 5.686 -2.090 1.00 0.43 C ATOM 319 C PRO A 23 -17.444 4.420 -2.548 1.00 0.48 C ATOM 320 O PRO A 23 -17.981 3.318 -2.440 1.00 0.98 O ATOM 321 CB PRO A 23 -19.671 5.548 -2.299 1.00 0.56 C ATOM 322 CG PRO A 23 -19.906 6.079 -3.670 1.00 0.70 C ATOM 323 CD PRO A 23 -18.894 7.177 -3.875 1.00 0.48 C ATOM 0 HA PRO A 23 -17.865 5.812 -1.049 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.990 4.509 -2.215 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.229 6.114 -1.553 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -19.786 5.294 -4.417 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.922 6.462 -3.770 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.515 7.186 -4.897 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.326 8.160 -3.687 1.00 0.48 H new ATOM 331 N ARG A 24 -16.227 4.581 -3.056 1.00 0.31 N ATOM 332 CA ARG A 24 -15.444 3.444 -3.525 1.00 0.27 C ATOM 333 C ARG A 24 -13.964 3.794 -3.606 1.00 0.26 C ATOM 334 O ARG A 24 -13.132 2.941 -3.914 1.00 0.31 O ATOM 335 CB ARG A 24 -15.945 2.986 -4.894 1.00 0.35 C ATOM 336 CG ARG A 24 -16.571 1.602 -4.872 1.00 0.37 C ATOM 337 CD ARG A 24 -16.429 0.903 -6.213 1.00 0.62 C ATOM 338 NE ARG A 24 -17.712 0.418 -6.710 1.00 1.27 N ATOM 339 CZ ARG A 24 -18.579 1.177 -7.372 1.00 2.02 C ATOM 340 NH1 ARG A 24 -18.293 2.447 -7.627 1.00 2.44 N ATOM 341 NH2 ARG A 24 -19.730 0.668 -7.783 1.00 2.86 N ATOM 0 H ARG A 24 -15.763 5.484 -3.153 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.566 2.632 -2.808 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.678 3.703 -5.264 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -15.113 2.990 -5.598 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -16.098 1.000 -4.096 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -17.627 1.684 -4.613 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -15.995 1.592 -6.938 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -15.737 0.066 -6.115 1.00 0.62 H new ATOM 0 HE ARG A 24 -17.957 -0.557 -6.540 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -17.406 2.843 -7.315 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -18.960 3.028 -8.135 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -19.953 -0.309 -7.592 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -20.394 1.253 -8.291 1.00 2.86 H new ATOM 355 N ARG A 25 -13.643 5.053 -3.331 1.00 0.23 N ATOM 356 CA ARG A 25 -12.263 5.517 -3.379 1.00 0.26 C ATOM 357 C ARG A 25 -11.600 5.424 -2.010 1.00 0.24 C ATOM 358 O ARG A 25 -12.191 5.791 -0.994 1.00 0.24 O ATOM 359 CB ARG A 25 -12.204 6.958 -3.885 1.00 0.32 C ATOM 360 CG ARG A 25 -10.817 7.389 -4.328 1.00 0.51 C ATOM 361 CD ARG A 25 -10.854 8.708 -5.084 1.00 0.80 C ATOM 362 NE ARG A 25 -11.004 8.511 -6.524 1.00 1.32 N ATOM 363 CZ ARG A 25 -10.633 9.408 -7.433 1.00 1.71 C ATOM 364 NH1 ARG A 25 -10.102 10.562 -7.053 1.00 2.14 N ATOM 365 NH2 ARG A 25 -10.791 9.152 -8.724 1.00 2.31 N ATOM 0 H ARG A 25 -14.320 5.770 -3.072 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.719 4.871 -4.068 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -12.895 7.070 -4.721 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.548 7.626 -3.096 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.170 7.487 -3.456 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.381 6.617 -4.963 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -11.680 9.315 -4.713 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -9.937 9.264 -4.888 1.00 0.80 H new ATOM 0 HE ARG A 25 -11.416 7.637 -6.850 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -9.977 10.764 -6.061 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -9.818 11.248 -7.753 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -11.198 8.265 -9.022 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -10.506 9.842 -9.419 1.00 2.31 H new ATOM 379 N LEU A 26 -10.363 4.939 -1.995 1.00 0.29 N ATOM 380 CA LEU A 26 -9.604 4.804 -0.759 1.00 0.35 C ATOM 381 C LEU A 26 -8.220 5.427 -0.913 1.00 0.39 C ATOM 382 O LEU A 26 -7.321 4.828 -1.503 1.00 0.44 O ATOM 383 CB LEU A 26 -9.475 3.328 -0.367 1.00 0.44 C ATOM 384 CG LEU A 26 -10.383 2.872 0.781 1.00 0.36 C ATOM 385 CD1 LEU A 26 -10.093 1.425 1.144 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.209 3.768 2.000 1.00 0.43 C ATOM 0 H LEU A 26 -9.864 4.632 -2.830 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.140 5.330 0.031 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.690 2.717 -1.243 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.439 3.132 -0.089 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.417 2.948 0.446 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.746 1.117 1.961 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -10.272 0.789 0.277 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -9.053 1.329 1.455 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -10.864 3.424 2.801 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.173 3.728 2.336 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -10.466 4.794 1.737 1.00 0.43 H new ATOM 398 N GLU A 27 -8.060 6.635 -0.384 1.00 0.41 N ATOM 399 CA GLU A 27 -6.789 7.347 -0.464 1.00 0.47 C ATOM 400 C GLU A 27 -5.746 6.711 0.450 1.00 0.41 C ATOM 401 O GLU A 27 -5.569 7.131 1.594 1.00 0.48 O ATOM 402 CB GLU A 27 -6.981 8.818 -0.089 1.00 0.51 C ATOM 403 CG GLU A 27 -5.790 9.697 -0.435 1.00 0.99 C ATOM 404 CD GLU A 27 -6.191 10.949 -1.188 1.00 1.26 C ATOM 405 OE1 GLU A 27 -6.754 11.867 -0.556 1.00 1.63 O ATOM 406 OE2 GLU A 27 -5.942 11.011 -2.411 1.00 1.82 O ATOM 0 H GLU A 27 -8.796 7.143 0.106 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.431 7.282 -1.492 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.865 9.201 -0.599 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -7.175 8.889 0.981 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -5.272 9.979 0.482 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -5.084 9.125 -1.037 1.00 0.99 H new ATOM 413 N VAL A 28 -5.054 5.700 -0.065 1.00 0.40 N ATOM 414 CA VAL A 28 -4.022 5.011 0.699 1.00 0.38 C ATOM 415 C VAL A 28 -2.716 5.794 0.661 1.00 0.35 C ATOM 416 O VAL A 28 -1.958 5.710 -0.306 1.00 0.42 O ATOM 417 CB VAL A 28 -3.768 3.589 0.162 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.080 2.737 1.215 1.00 0.61 C ATOM 419 CG2 VAL A 28 -5.068 2.942 -0.292 1.00 0.68 C ATOM 0 H VAL A 28 -5.190 5.340 -1.010 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.381 4.938 1.726 1.00 0.38 H new ATOM 0 HB VAL A 28 -3.109 3.663 -0.703 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.909 1.736 0.818 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.125 3.190 1.482 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -3.712 2.673 2.101 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.864 1.939 -0.667 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.758 2.881 0.550 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -5.515 3.542 -1.085 1.00 0.68 H new ATOM 429 N THR A 29 -2.460 6.562 1.714 1.00 0.31 N ATOM 430 CA THR A 29 -1.249 7.365 1.797 1.00 0.30 C ATOM 431 C THR A 29 -0.235 6.737 2.742 1.00 0.28 C ATOM 432 O THR A 29 -0.603 6.070 3.707 1.00 0.31 O ATOM 433 CB THR A 29 -1.557 8.795 2.276 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.844 8.832 2.905 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.530 9.772 1.112 1.00 0.59 C ATOM 0 H THR A 29 -3.077 6.644 2.522 1.00 0.31 H new ATOM 0 HA THR A 29 -0.829 7.406 0.792 1.00 0.30 H new ATOM 0 HB THR A 29 -0.791 9.088 2.994 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.033 9.744 3.209 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.750 10.776 1.475 1.00 0.59 H new ATOM 0 HG22 THR A 29 -0.542 9.761 0.651 1.00 0.59 H new ATOM 0 HG23 THR A 29 -2.278 9.480 0.375 1.00 0.59 H new ATOM 443 N TRP A 30 1.042 6.962 2.462 1.00 0.27 N ATOM 444 CA TRP A 30 2.111 6.426 3.291 1.00 0.28 C ATOM 445 C TRP A 30 3.397 7.218 3.092 1.00 0.27 C ATOM 446 O TRP A 30 3.417 8.224 2.383 1.00 0.33 O ATOM 447 CB TRP A 30 2.347 4.944 2.983 1.00 0.29 C ATOM 448 CG TRP A 30 2.745 4.673 1.562 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.987 4.823 1.012 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.897 4.195 0.513 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.961 4.470 -0.316 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.689 4.081 -0.646 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.545 3.854 0.441 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.171 3.639 -1.860 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.032 3.415 -0.765 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.844 3.311 -1.900 1.00 0.46 C ATOM 0 H TRP A 30 1.362 7.513 1.666 1.00 0.27 H new ATOM 0 HA TRP A 30 1.806 6.518 4.333 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.125 4.565 3.646 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.437 4.387 3.207 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.861 5.169 1.543 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.758 4.494 -0.952 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.089 3.932 1.312 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.794 3.558 -2.738 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.012 3.148 -0.833 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.413 2.964 -2.828 1.00 0.46 H new ATOM 467 N GLN A 31 4.467 6.757 3.725 1.00 0.28 N ATOM 468 CA GLN A 31 5.760 7.419 3.625 1.00 0.29 C ATOM 469 C GLN A 31 6.890 6.412 3.796 1.00 0.29 C ATOM 470 O GLN A 31 6.669 5.287 4.247 1.00 0.29 O ATOM 471 CB GLN A 31 5.873 8.518 4.686 1.00 0.32 C ATOM 472 CG GLN A 31 6.810 9.652 4.301 1.00 0.64 C ATOM 473 CD GLN A 31 6.575 10.158 2.891 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.395 9.944 1.999 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.451 10.833 2.682 1.00 0.79 N ATOM 0 H GLN A 31 4.465 5.925 4.315 1.00 0.28 H new ATOM 0 HA GLN A 31 5.842 7.870 2.636 1.00 0.29 H new ATOM 0 HB2 GLN A 31 4.881 8.928 4.877 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.220 8.074 5.619 1.00 0.32 H new ATOM 0 HG2 GLN A 31 6.683 10.476 5.003 1.00 0.64 H new ATOM 0 HG3 GLN A 31 7.841 9.311 4.392 1.00 0.64 H new ATOM 0 HE21 GLN A 31 4.799 10.988 3.451 1.00 0.79 H new ATOM 0 HE22 GLN A 31 5.240 11.197 1.753 1.00 0.79 H new ATOM 484 N THR A 32 8.101 6.822 3.438 1.00 0.34 N ATOM 485 CA THR A 32 9.261 5.953 3.560 1.00 0.36 C ATOM 486 C THR A 32 9.569 5.672 5.029 1.00 0.41 C ATOM 487 O THR A 32 9.227 6.469 5.903 1.00 0.49 O ATOM 488 CB THR A 32 10.502 6.570 2.888 1.00 0.42 C ATOM 489 OG1 THR A 32 10.539 7.981 3.128 1.00 0.49 O ATOM 490 CG2 THR A 32 10.490 6.305 1.389 1.00 0.49 C ATOM 0 H THR A 32 8.303 7.748 3.062 1.00 0.34 H new ATOM 0 HA THR A 32 9.020 5.019 3.053 1.00 0.36 H new ATOM 0 HB THR A 32 11.390 6.107 3.317 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.332 8.365 2.699 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.375 6.749 0.934 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.491 5.230 1.210 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.596 6.746 0.949 1.00 0.49 H new ATOM 498 N PRO A 33 10.215 4.531 5.326 1.00 0.39 N ATOM 499 CA PRO A 33 10.558 4.159 6.701 1.00 0.46 C ATOM 500 C PRO A 33 11.514 5.155 7.342 1.00 0.56 C ATOM 501 O PRO A 33 12.268 5.838 6.649 1.00 0.60 O ATOM 502 CB PRO A 33 11.239 2.794 6.559 1.00 0.46 C ATOM 503 CG PRO A 33 10.865 2.302 5.203 1.00 0.42 C ATOM 504 CD PRO A 33 10.661 3.520 4.354 1.00 0.35 C ATOM 0 HA PRO A 33 9.677 4.141 7.342 1.00 0.46 H new ATOM 0 HB2 PRO A 33 12.321 2.883 6.660 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.902 2.105 7.333 1.00 0.46 H new ATOM 0 HG2 PRO A 33 11.649 1.667 4.790 1.00 0.42 H new ATOM 0 HG3 PRO A 33 9.957 1.701 5.245 1.00 0.42 H new ATOM 0 HD2 PRO A 33 11.581 3.821 3.852 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.915 3.350 3.577 1.00 0.35 H new ATOM 512 N SER A 34 11.484 5.230 8.667 1.00 0.66 N ATOM 513 CA SER A 34 12.359 6.139 9.396 1.00 0.80 C ATOM 514 C SER A 34 13.818 5.746 9.198 1.00 0.86 C ATOM 515 O SER A 34 14.716 6.583 9.289 1.00 0.96 O ATOM 516 CB SER A 34 12.016 6.128 10.885 1.00 0.92 C ATOM 517 OG SER A 34 10.654 5.802 11.092 1.00 1.02 O ATOM 0 H SER A 34 10.865 4.674 9.257 1.00 0.66 H new ATOM 0 HA SER A 34 12.209 7.146 9.006 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.648 5.406 11.402 1.00 0.92 H new ATOM 0 HB3 SER A 34 12.229 7.106 11.318 1.00 0.92 H new ATOM 0 HG SER A 34 10.460 5.800 12.053 1.00 1.02 H new ATOM 523 N THR A 35 14.043 4.465 8.923 1.00 0.82 N ATOM 524 CA THR A 35 15.390 3.953 8.708 1.00 0.91 C ATOM 525 C THR A 35 15.903 4.333 7.322 1.00 0.92 C ATOM 526 O THR A 35 17.110 4.390 7.090 1.00 1.11 O ATOM 527 CB THR A 35 15.442 2.420 8.861 1.00 0.89 C ATOM 528 OG1 THR A 35 14.208 1.937 9.406 1.00 0.85 O ATOM 529 CG2 THR A 35 16.595 2.003 9.764 1.00 1.08 C ATOM 0 H THR A 35 13.308 3.762 8.844 1.00 0.82 H new ATOM 0 HA THR A 35 16.027 4.406 9.468 1.00 0.91 H new ATOM 0 HB THR A 35 15.598 1.987 7.873 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.379 1.135 9.942 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.610 0.917 9.856 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.536 2.344 9.333 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.465 2.449 10.750 1.00 1.08 H new ATOM 537 N TRP A 36 14.974 4.596 6.405 1.00 0.80 N ATOM 538 CA TRP A 36 15.328 4.974 5.041 1.00 0.83 C ATOM 539 C TRP A 36 15.744 6.444 4.978 1.00 1.00 C ATOM 540 O TRP A 36 15.025 7.319 5.463 1.00 1.09 O ATOM 541 CB TRP A 36 14.150 4.719 4.099 1.00 0.74 C ATOM 542 CG TRP A 36 14.571 4.367 2.704 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.356 5.100 1.573 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.281 3.192 2.292 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.888 4.455 0.484 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.462 3.282 0.899 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.783 2.074 2.966 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.122 2.297 0.169 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.438 1.097 2.239 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.603 1.215 0.854 1.00 1.21 C ATOM 0 H TRP A 36 13.971 4.554 6.583 1.00 0.80 H new ATOM 0 HA TRP A 36 16.173 4.363 4.724 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.540 3.910 4.502 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.520 5.608 4.067 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.842 6.049 1.540 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.860 4.794 -0.478 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.661 1.976 4.035 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.250 2.384 -0.900 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 16.829 0.228 2.748 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.121 0.436 0.315 1.00 1.21 H new ATOM 561 N PRO A 37 16.919 6.738 4.388 1.00 1.20 N ATOM 562 CA PRO A 37 17.430 8.106 4.280 1.00 1.44 C ATOM 563 C PRO A 37 16.726 8.918 3.192 1.00 1.34 C ATOM 564 O PRO A 37 15.665 9.496 3.429 1.00 1.49 O ATOM 565 CB PRO A 37 18.920 7.920 3.942 1.00 1.76 C ATOM 566 CG PRO A 37 19.178 6.446 3.983 1.00 1.78 C ATOM 567 CD PRO A 37 17.850 5.774 3.795 1.00 1.34 C ATOM 0 HA PRO A 37 17.260 8.668 5.199 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.149 8.328 2.958 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.550 8.445 4.660 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.875 6.153 3.198 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.627 6.157 4.933 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.632 5.594 2.742 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.809 4.808 4.299 1.00 1.34 H new ATOM 575 N ASP A 38 17.326 8.970 2.005 1.00 1.33 N ATOM 576 CA ASP A 38 16.759 9.725 0.894 1.00 1.35 C ATOM 577 C ASP A 38 15.905 8.831 -0.005 1.00 1.29 C ATOM 578 O ASP A 38 16.410 7.885 -0.610 1.00 1.42 O ATOM 579 CB ASP A 38 17.879 10.371 0.077 1.00 1.65 C ATOM 580 CG ASP A 38 17.427 11.631 -0.633 1.00 1.90 C ATOM 581 OD1 ASP A 38 17.406 12.701 0.010 1.00 2.28 O ATOM 582 OD2 ASP A 38 17.096 11.549 -1.834 1.00 2.16 O ATOM 0 H ASP A 38 18.204 8.498 1.789 1.00 1.33 H new ATOM 0 HA ASP A 38 16.116 10.503 1.306 1.00 1.35 H new ATOM 0 HB2 ASP A 38 18.714 10.609 0.736 1.00 1.65 H new ATOM 0 HB3 ASP A 38 18.247 9.656 -0.658 1.00 1.65 H new ATOM 587 N PRO A 39 14.593 9.122 -0.110 1.00 1.31 N ATOM 588 CA PRO A 39 13.677 8.339 -0.944 1.00 1.44 C ATOM 589 C PRO A 39 13.875 8.611 -2.432 1.00 1.61 C ATOM 590 O PRO A 39 13.369 7.875 -3.281 1.00 1.84 O ATOM 591 CB PRO A 39 12.296 8.813 -0.490 1.00 1.62 C ATOM 592 CG PRO A 39 12.515 10.206 -0.012 1.00 1.69 C ATOM 593 CD PRO A 39 13.901 10.234 0.573 1.00 1.44 C ATOM 0 HA PRO A 39 13.833 7.266 -0.829 1.00 1.44 H new ATOM 0 HB2 PRO A 39 11.578 8.783 -1.309 1.00 1.62 H new ATOM 0 HB3 PRO A 39 11.901 8.179 0.304 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.424 10.918 -0.832 1.00 1.69 H new ATOM 0 HG3 PRO A 39 11.771 10.483 0.735 1.00 1.69 H new ATOM 0 HD2 PRO A 39 14.395 11.188 0.386 1.00 1.44 H new ATOM 0 HD3 PRO A 39 13.882 10.091 1.653 1.00 1.44 H new ATOM 601 N GLU A 40 14.616 9.672 -2.741 1.00 1.57 N ATOM 602 CA GLU A 40 14.887 10.042 -4.126 1.00 1.76 C ATOM 603 C GLU A 40 16.069 9.252 -4.674 1.00 1.76 C ATOM 604 O GLU A 40 15.945 8.542 -5.672 1.00 1.90 O ATOM 605 CB GLU A 40 15.175 11.540 -4.229 1.00 1.90 C ATOM 606 CG GLU A 40 14.329 12.254 -5.269 1.00 2.12 C ATOM 607 CD GLU A 40 13.049 12.824 -4.692 1.00 2.36 C ATOM 608 OE1 GLU A 40 12.120 12.037 -4.418 1.00 2.91 O ATOM 609 OE2 GLU A 40 12.977 14.057 -4.513 1.00 2.63 O ATOM 0 H GLU A 40 15.040 10.291 -2.050 1.00 1.57 H new ATOM 0 HA GLU A 40 14.003 9.806 -4.719 1.00 1.76 H new ATOM 0 HB2 GLU A 40 15.005 12.001 -3.256 1.00 1.90 H new ATOM 0 HB3 GLU A 40 16.228 11.683 -4.470 1.00 1.90 H new ATOM 0 HG2 GLU A 40 14.912 13.060 -5.714 1.00 2.12 H new ATOM 0 HG3 GLU A 40 14.083 11.558 -6.071 1.00 2.12 H new ATOM 616 N SER A 41 17.215 9.379 -4.010 1.00 1.67 N ATOM 617 CA SER A 41 18.423 8.674 -4.425 1.00 1.75 C ATOM 618 C SER A 41 18.200 7.168 -4.393 1.00 1.63 C ATOM 619 O SER A 41 18.840 6.418 -5.130 1.00 1.67 O ATOM 620 CB SER A 41 19.597 9.045 -3.516 1.00 1.82 C ATOM 621 OG SER A 41 19.858 10.437 -3.560 1.00 1.89 O ATOM 0 H SER A 41 17.332 9.964 -3.182 1.00 1.67 H new ATOM 0 HA SER A 41 18.658 8.973 -5.446 1.00 1.75 H new ATOM 0 HB2 SER A 41 19.376 8.746 -2.491 1.00 1.82 H new ATOM 0 HB3 SER A 41 20.487 8.495 -3.824 1.00 1.82 H new ATOM 0 HG SER A 41 20.611 10.647 -2.969 1.00 1.89 H new ATOM 627 N PHE A 42 17.281 6.735 -3.536 1.00 1.51 N ATOM 628 CA PHE A 42 16.960 5.320 -3.404 1.00 1.41 C ATOM 629 C PHE A 42 15.499 5.066 -3.761 1.00 1.27 C ATOM 630 O PHE A 42 14.638 5.026 -2.881 1.00 1.40 O ATOM 631 CB PHE A 42 17.240 4.840 -1.980 1.00 1.58 C ATOM 632 CG PHE A 42 18.699 4.644 -1.688 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.360 3.508 -2.125 1.00 2.54 C ATOM 634 CD2 PHE A 42 19.409 5.597 -0.977 1.00 2.38 C ATOM 635 CE1 PHE A 42 20.703 3.326 -1.859 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.752 5.421 -0.707 1.00 3.01 C ATOM 637 CZ PHE A 42 21.400 4.284 -1.149 1.00 3.32 C ATOM 0 H PHE A 42 16.744 7.347 -2.921 1.00 1.51 H new ATOM 0 HA PHE A 42 17.591 4.761 -4.095 1.00 1.41 H new ATOM 0 HB2 PHE A 42 16.831 5.563 -1.275 1.00 1.58 H new ATOM 0 HB3 PHE A 42 16.715 3.900 -1.813 1.00 1.58 H new ATOM 0 HD1 PHE A 42 18.819 2.756 -2.680 1.00 2.54 H new ATOM 0 HD2 PHE A 42 18.907 6.488 -0.630 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.207 2.436 -2.206 1.00 3.12 H new ATOM 0 HE2 PHE A 42 21.295 6.171 -0.151 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.450 4.144 -0.940 1.00 3.32 H new ATOM 647 N PRO A 43 15.195 4.889 -5.061 1.00 1.24 N ATOM 648 CA PRO A 43 13.826 4.637 -5.521 1.00 1.33 C ATOM 649 C PRO A 43 13.222 3.406 -4.857 1.00 1.26 C ATOM 650 O PRO A 43 13.503 2.274 -5.249 1.00 1.97 O ATOM 651 CB PRO A 43 13.984 4.412 -7.029 1.00 1.58 C ATOM 652 CG PRO A 43 15.273 5.069 -7.383 1.00 1.75 C ATOM 653 CD PRO A 43 16.156 4.917 -6.179 1.00 1.40 C ATOM 0 HA PRO A 43 13.154 5.459 -5.275 1.00 1.33 H new ATOM 0 HB2 PRO A 43 14.003 3.349 -7.270 1.00 1.58 H new ATOM 0 HB3 PRO A 43 13.153 4.849 -7.583 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.723 4.601 -8.259 1.00 1.75 H new ATOM 0 HG3 PRO A 43 15.122 6.121 -7.626 1.00 1.75 H new ATOM 0 HD2 PRO A 43 16.747 4.002 -6.225 1.00 1.40 H new ATOM 0 HD3 PRO A 43 16.858 5.746 -6.087 1.00 1.40 H new ATOM 661 N LEU A 44 12.399 3.637 -3.842 1.00 0.98 N ATOM 662 CA LEU A 44 11.762 2.548 -3.113 1.00 0.82 C ATOM 663 C LEU A 44 10.477 2.096 -3.799 1.00 0.78 C ATOM 664 O LEU A 44 9.514 2.857 -3.900 1.00 0.98 O ATOM 665 CB LEU A 44 11.460 2.983 -1.679 1.00 0.83 C ATOM 666 CG LEU A 44 11.706 1.915 -0.613 1.00 0.70 C ATOM 667 CD1 LEU A 44 12.029 2.559 0.724 1.00 1.54 C ATOM 668 CD2 LEU A 44 10.495 1.006 -0.487 1.00 1.29 C ATOM 0 H LEU A 44 12.157 4.569 -3.505 1.00 0.98 H new ATOM 0 HA LEU A 44 12.453 1.705 -3.099 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.069 3.856 -1.444 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.418 3.297 -1.623 1.00 0.83 H new ATOM 0 HG LEU A 44 12.562 1.313 -0.918 1.00 0.70 H new ATOM 0 HD11 LEU A 44 12.201 1.783 1.470 1.00 1.54 H new ATOM 0 HD12 LEU A 44 12.925 3.172 0.626 1.00 1.54 H new ATOM 0 HD13 LEU A 44 11.194 3.185 1.038 1.00 1.54 H new ATOM 0 HD21 LEU A 44 10.685 0.251 0.276 1.00 1.29 H new ATOM 0 HD22 LEU A 44 9.624 1.597 -0.203 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.306 0.517 -1.443 1.00 1.29 H new ATOM 680 N LYS A 45 10.468 0.850 -4.261 1.00 0.70 N ATOM 681 CA LYS A 45 9.301 0.286 -4.927 1.00 0.68 C ATOM 682 C LYS A 45 8.317 -0.268 -3.902 1.00 0.60 C ATOM 683 O LYS A 45 8.618 -1.232 -3.197 1.00 0.76 O ATOM 684 CB LYS A 45 9.724 -0.821 -5.894 1.00 0.78 C ATOM 685 CG LYS A 45 9.181 -0.641 -7.301 1.00 1.13 C ATOM 686 CD LYS A 45 10.018 -1.394 -8.321 1.00 1.25 C ATOM 687 CE LYS A 45 9.342 -1.425 -9.682 1.00 1.41 C ATOM 688 NZ LYS A 45 10.220 -2.027 -10.723 1.00 1.75 N ATOM 0 H LYS A 45 11.259 0.210 -4.186 1.00 0.70 H new ATOM 0 HA LYS A 45 8.811 1.080 -5.491 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.813 -0.859 -5.936 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.387 -1.781 -5.504 1.00 0.78 H new ATOM 0 HG2 LYS A 45 8.151 -0.994 -7.342 1.00 1.13 H new ATOM 0 HG3 LYS A 45 9.165 0.419 -7.553 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.996 -0.922 -8.410 1.00 1.25 H new ATOM 0 HD3 LYS A 45 10.186 -2.413 -7.974 1.00 1.25 H new ATOM 0 HE2 LYS A 45 8.415 -1.995 -9.614 1.00 1.41 H new ATOM 0 HE3 LYS A 45 9.072 -0.411 -9.977 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 9.723 -2.030 -11.637 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 11.094 -1.469 -10.806 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 10.457 -3.003 -10.455 1.00 1.75 H new ATOM 702 N PHE A 46 7.145 0.352 -3.818 1.00 0.46 N ATOM 703 CA PHE A 46 6.121 -0.073 -2.871 1.00 0.41 C ATOM 704 C PHE A 46 5.125 -1.025 -3.522 1.00 0.44 C ATOM 705 O PHE A 46 4.560 -0.727 -4.574 1.00 0.58 O ATOM 706 CB PHE A 46 5.385 1.144 -2.311 1.00 0.42 C ATOM 707 CG PHE A 46 6.207 1.946 -1.346 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.349 1.536 -0.030 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.839 3.110 -1.754 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.105 2.272 0.861 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.596 3.851 -0.866 1.00 0.48 C ATOM 712 CZ PHE A 46 7.730 3.431 0.443 1.00 0.47 C ATOM 0 H PHE A 46 6.881 1.151 -4.395 1.00 0.46 H new ATOM 0 HA PHE A 46 6.617 -0.603 -2.058 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.079 1.786 -3.137 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.475 0.811 -1.812 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.863 0.631 0.303 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.739 3.442 -2.777 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.208 1.942 1.884 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.082 4.757 -1.195 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.322 4.007 1.138 1.00 0.47 H new ATOM 722 N PHE A 47 4.907 -2.168 -2.882 1.00 0.40 N ATOM 723 CA PHE A 47 3.971 -3.163 -3.388 1.00 0.44 C ATOM 724 C PHE A 47 2.683 -3.136 -2.577 1.00 0.39 C ATOM 725 O PHE A 47 2.654 -3.566 -1.424 1.00 0.59 O ATOM 726 CB PHE A 47 4.598 -4.556 -3.338 1.00 0.55 C ATOM 727 CG PHE A 47 5.884 -4.662 -4.106 1.00 0.53 C ATOM 728 CD1 PHE A 47 5.911 -4.436 -5.473 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.066 -4.988 -3.461 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.093 -4.532 -6.182 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.251 -5.085 -4.165 1.00 0.75 C ATOM 732 CZ PHE A 47 8.264 -4.857 -5.527 1.00 0.73 C ATOM 0 H PHE A 47 5.367 -2.428 -2.010 1.00 0.40 H new ATOM 0 HA PHE A 47 3.736 -2.924 -4.425 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.782 -4.826 -2.298 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.887 -5.280 -3.734 1.00 0.55 H new ATOM 0 HD1 PHE A 47 4.998 -4.182 -5.990 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.061 -5.168 -2.396 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.101 -4.353 -7.247 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.166 -5.339 -3.651 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.189 -4.933 -6.079 1.00 0.73 H new ATOM 742 N LEU A 48 1.624 -2.613 -3.182 1.00 0.33 N ATOM 743 CA LEU A 48 0.335 -2.510 -2.512 1.00 0.35 C ATOM 744 C LEU A 48 -0.627 -3.598 -2.974 1.00 0.35 C ATOM 745 O LEU A 48 -0.737 -3.883 -4.166 1.00 0.57 O ATOM 746 CB LEU A 48 -0.276 -1.133 -2.771 1.00 0.44 C ATOM 747 CG LEU A 48 -1.464 -0.773 -1.881 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.018 0.113 -0.728 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.547 -0.085 -2.696 1.00 1.05 C ATOM 0 H LEU A 48 1.633 -2.253 -4.136 1.00 0.33 H new ATOM 0 HA LEU A 48 0.502 -2.643 -1.443 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.499 -0.378 -2.639 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.594 -1.084 -3.812 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.876 -1.693 -1.466 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -1.878 0.359 -0.105 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.275 -0.415 -0.130 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -0.581 1.030 -1.122 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.387 0.165 -2.048 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.146 0.827 -3.138 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.886 -0.753 -3.488 1.00 1.05 H new ATOM 761 N ARG A 49 -1.330 -4.193 -2.017 1.00 0.26 N ATOM 762 CA ARG A 49 -2.297 -5.242 -2.311 1.00 0.27 C ATOM 763 C ARG A 49 -3.535 -5.081 -1.436 1.00 0.24 C ATOM 764 O ARG A 49 -3.448 -5.110 -0.210 1.00 0.30 O ATOM 765 CB ARG A 49 -1.672 -6.622 -2.095 1.00 0.34 C ATOM 766 CG ARG A 49 -0.987 -6.782 -0.747 1.00 0.44 C ATOM 767 CD ARG A 49 0.098 -7.847 -0.790 1.00 0.75 C ATOM 768 NE ARG A 49 -0.259 -8.970 -1.655 1.00 1.07 N ATOM 769 CZ ARG A 49 -0.197 -10.242 -1.274 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.185 -10.551 -0.043 1.00 1.64 N ATOM 771 NH2 ARG A 49 -0.521 -11.207 -2.123 1.00 2.02 N ATOM 0 H ARG A 49 -1.247 -3.965 -1.026 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.594 -5.155 -3.356 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.449 -7.381 -2.190 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -0.945 -6.809 -2.886 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.551 -5.830 -0.445 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.727 -7.047 0.008 1.00 0.44 H new ATOM 0 HD2 ARG A 49 1.028 -7.401 -1.143 1.00 0.75 H new ATOM 0 HD3 ARG A 49 0.284 -8.214 0.219 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.573 -8.766 -2.604 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.432 -9.812 0.615 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.232 -11.528 0.246 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -0.818 -10.974 -3.070 1.00 2.02 H new ATOM 0 HH22 ARG A 49 -0.473 -12.182 -1.829 1.00 2.02 H new ATOM 785 N TYR A 50 -4.686 -4.901 -2.074 1.00 0.26 N ATOM 786 CA TYR A 50 -5.940 -4.726 -1.348 1.00 0.27 C ATOM 787 C TYR A 50 -6.875 -5.906 -1.582 1.00 0.28 C ATOM 788 O TYR A 50 -7.310 -6.154 -2.707 1.00 0.36 O ATOM 789 CB TYR A 50 -6.626 -3.419 -1.761 1.00 0.35 C ATOM 790 CG TYR A 50 -6.575 -3.133 -3.247 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.427 -2.619 -3.838 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.678 -3.370 -4.058 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.380 -2.352 -5.193 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.639 -3.105 -5.413 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.487 -2.596 -5.975 1.00 0.90 C ATOM 796 OH TYR A 50 -6.443 -2.331 -7.324 1.00 1.13 O ATOM 0 H TYR A 50 -4.778 -4.872 -3.089 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.707 -4.678 -0.284 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.669 -3.453 -1.445 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -6.158 -2.592 -1.227 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.557 -2.425 -3.228 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.582 -3.768 -3.621 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.479 -1.954 -5.637 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.506 -3.295 -6.029 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.305 -2.560 -7.731 1.00 1.13 H new ATOM 806 N ARG A 51 -7.177 -6.633 -0.511 1.00 0.29 N ATOM 807 CA ARG A 51 -8.057 -7.792 -0.596 1.00 0.34 C ATOM 808 C ARG A 51 -9.336 -7.572 0.209 1.00 0.29 C ATOM 809 O ARG A 51 -9.282 -7.228 1.390 1.00 0.33 O ATOM 810 CB ARG A 51 -7.333 -9.039 -0.087 1.00 0.46 C ATOM 811 CG ARG A 51 -8.159 -10.310 -0.186 1.00 0.64 C ATOM 812 CD ARG A 51 -8.424 -10.908 1.185 1.00 1.25 C ATOM 813 NE ARG A 51 -7.247 -11.581 1.724 1.00 1.72 N ATOM 814 CZ ARG A 51 -7.281 -12.389 2.778 1.00 2.29 C ATOM 815 NH1 ARG A 51 -8.426 -12.615 3.407 1.00 2.62 N ATOM 816 NH2 ARG A 51 -6.172 -12.972 3.206 1.00 3.10 N ATOM 0 H ARG A 51 -6.825 -6.439 0.426 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.330 -7.933 -1.642 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.412 -9.170 -0.655 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.047 -8.883 0.953 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.107 -10.092 -0.679 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.637 -11.038 -0.807 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -8.737 -10.120 1.870 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -9.249 -11.618 1.118 1.00 1.25 H new ATOM 0 HE ARG A 51 -6.349 -11.422 1.267 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -9.283 -12.168 3.082 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -8.450 -13.236 4.216 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -5.288 -12.801 2.726 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -6.201 -13.592 4.016 1.00 3.10 H new ATOM 830 N PRO A 52 -10.511 -7.777 -0.417 1.00 0.32 N ATOM 831 CA PRO A 52 -11.800 -7.606 0.259 1.00 0.38 C ATOM 832 C PRO A 52 -11.947 -8.566 1.433 1.00 0.44 C ATOM 833 O PRO A 52 -11.370 -9.654 1.430 1.00 0.51 O ATOM 834 CB PRO A 52 -12.836 -7.926 -0.825 1.00 0.52 C ATOM 835 CG PRO A 52 -12.100 -7.829 -2.118 1.00 0.65 C ATOM 836 CD PRO A 52 -10.677 -8.198 -1.818 1.00 0.45 C ATOM 0 HA PRO A 52 -11.912 -6.605 0.676 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.255 -8.922 -0.686 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -13.668 -7.223 -0.793 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.528 -8.502 -2.861 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.163 -6.821 -2.527 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -10.503 -9.267 -1.941 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -9.979 -7.684 -2.479 1.00 0.45 H new ATOM 844 N LEU A 53 -12.716 -8.160 2.436 1.00 0.50 N ATOM 845 CA LEU A 53 -12.927 -8.991 3.615 1.00 0.65 C ATOM 846 C LEU A 53 -13.979 -10.064 3.354 1.00 0.81 C ATOM 847 O LEU A 53 -14.424 -10.747 4.277 1.00 1.22 O ATOM 848 CB LEU A 53 -13.340 -8.129 4.807 1.00 0.70 C ATOM 849 CG LEU A 53 -12.452 -8.279 6.042 1.00 0.82 C ATOM 850 CD1 LEU A 53 -11.135 -7.547 5.846 1.00 1.32 C ATOM 851 CD2 LEU A 53 -13.169 -7.767 7.281 1.00 1.40 C ATOM 0 H LEU A 53 -13.202 -7.264 2.457 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.985 -9.489 3.846 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.338 -7.083 4.500 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -14.365 -8.379 5.081 1.00 0.70 H new ATOM 0 HG LEU A 53 -12.237 -9.338 6.183 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -10.517 -7.666 6.736 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.613 -7.962 4.984 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.329 -6.488 5.678 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -12.521 -7.882 8.150 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -13.416 -6.713 7.149 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -14.085 -8.338 7.433 1.00 1.40 H new ATOM 863 N ILE A 54 -14.366 -10.215 2.092 1.00 0.85 N ATOM 864 CA ILE A 54 -15.358 -11.212 1.711 1.00 1.01 C ATOM 865 C ILE A 54 -14.841 -12.083 0.575 1.00 1.08 C ATOM 866 O ILE A 54 -15.441 -13.104 0.237 1.00 1.34 O ATOM 867 CB ILE A 54 -16.684 -10.561 1.278 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.417 -9.311 0.435 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.525 -10.219 2.497 1.00 1.27 C ATOM 870 CD1 ILE A 54 -17.288 -9.217 -0.798 1.00 1.46 C ATOM 0 H ILE A 54 -14.007 -9.659 1.316 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.541 -11.827 2.592 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.239 -11.272 0.666 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.577 -8.426 1.051 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.370 -9.304 0.132 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.460 -9.759 2.177 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.741 -11.129 3.057 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.978 -9.523 3.133 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -17.045 -8.307 -1.347 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -17.111 -10.084 -1.435 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.337 -9.192 -0.502 1.00 1.46 H new ATOM 882 N LEU A 55 -13.723 -11.671 -0.008 1.00 0.95 N ATOM 883 CA LEU A 55 -13.116 -12.408 -1.107 1.00 1.10 C ATOM 884 C LEU A 55 -11.605 -12.473 -0.939 1.00 1.12 C ATOM 885 O LEU A 55 -10.952 -11.450 -0.740 1.00 1.51 O ATOM 886 CB LEU A 55 -13.458 -11.747 -2.442 1.00 1.25 C ATOM 887 CG LEU A 55 -14.446 -12.521 -3.314 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.537 -11.598 -3.832 1.00 1.69 C ATOM 889 CD2 LEU A 55 -13.721 -13.195 -4.469 1.00 2.11 C ATOM 0 H LEU A 55 -13.217 -10.828 0.263 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.515 -13.422 -1.098 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.869 -10.757 -2.245 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.536 -11.603 -3.005 1.00 1.25 H new ATOM 0 HG LEU A 55 -14.913 -13.294 -2.704 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -16.231 -12.167 -4.451 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -16.075 -11.162 -2.990 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -15.088 -10.803 -4.427 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -14.439 -13.742 -5.080 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -13.227 -12.439 -5.079 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -12.977 -13.888 -4.077 1.00 2.11 H new ATOM 901 N ASP A 56 -11.054 -13.677 -1.027 1.00 1.38 N ATOM 902 CA ASP A 56 -9.616 -13.862 -0.892 1.00 1.54 C ATOM 903 C ASP A 56 -8.916 -13.530 -2.205 1.00 1.19 C ATOM 904 O ASP A 56 -8.379 -14.410 -2.878 1.00 1.44 O ATOM 905 CB ASP A 56 -9.294 -15.296 -0.472 1.00 2.08 C ATOM 906 CG ASP A 56 -7.830 -15.473 -0.123 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.195 -14.482 0.296 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.318 -16.601 -0.272 1.00 2.89 O ATOM 0 H ASP A 56 -11.579 -14.536 -1.191 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.254 -13.186 -0.118 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -9.907 -15.568 0.388 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.559 -15.978 -1.280 1.00 2.08 H new ATOM 913 N GLN A 57 -8.937 -12.252 -2.566 1.00 0.83 N ATOM 914 CA GLN A 57 -8.316 -11.796 -3.802 1.00 0.93 C ATOM 915 C GLN A 57 -7.189 -10.808 -3.519 1.00 0.79 C ATOM 916 O GLN A 57 -7.434 -9.623 -3.292 1.00 0.82 O ATOM 917 CB GLN A 57 -9.364 -11.145 -4.703 1.00 1.30 C ATOM 918 CG GLN A 57 -9.086 -11.321 -6.185 1.00 1.81 C ATOM 919 CD GLN A 57 -10.356 -11.427 -7.003 1.00 2.19 C ATOM 920 OE1 GLN A 57 -10.942 -10.419 -7.393 1.00 2.89 O ATOM 921 NE2 GLN A 57 -10.791 -12.653 -7.266 1.00 2.43 N ATOM 0 H GLN A 57 -9.378 -11.513 -2.019 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.891 -12.663 -4.308 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.342 -11.568 -4.473 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.415 -10.080 -4.476 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -8.496 -10.478 -6.544 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -8.485 -12.218 -6.335 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -10.274 -13.462 -6.923 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -11.643 -12.786 -7.811 1.00 2.43 H new ATOM 930 N TRP A 58 -5.955 -11.302 -3.537 1.00 0.73 N ATOM 931 CA TRP A 58 -4.794 -10.458 -3.287 1.00 0.63 C ATOM 932 C TRP A 58 -4.359 -9.748 -4.563 1.00 0.67 C ATOM 933 O TRP A 58 -3.869 -10.380 -5.499 1.00 0.76 O ATOM 934 CB TRP A 58 -3.638 -11.290 -2.728 1.00 0.71 C ATOM 935 CG TRP A 58 -3.609 -11.339 -1.230 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.480 -12.452 -0.451 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.713 -10.228 -0.329 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.496 -12.102 0.878 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.638 -10.743 0.978 1.00 0.67 C ATOM 940 CE3 TRP A 58 -3.861 -8.848 -0.501 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.707 -9.928 2.106 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -3.929 -8.041 0.619 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.852 -8.582 1.907 1.00 0.49 C ATOM 0 H TRP A 58 -5.734 -12.281 -3.722 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.074 -9.705 -2.550 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.711 -12.306 -3.116 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.696 -10.878 -3.089 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.380 -13.460 -0.824 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -3.415 -12.749 1.662 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -3.921 -8.421 -1.491 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.648 -10.344 3.101 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.044 -6.974 0.498 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.908 -7.924 2.761 1.00 0.49 H new ATOM 954 N GLN A 59 -4.546 -8.433 -4.594 1.00 0.70 N ATOM 955 CA GLN A 59 -4.175 -7.635 -5.756 1.00 0.79 C ATOM 956 C GLN A 59 -2.670 -7.412 -5.800 1.00 0.95 C ATOM 957 O GLN A 59 -1.951 -7.786 -4.875 1.00 1.64 O ATOM 958 CB GLN A 59 -4.903 -6.291 -5.733 1.00 1.06 C ATOM 959 CG GLN A 59 -6.396 -6.406 -5.987 1.00 1.36 C ATOM 960 CD GLN A 59 -6.716 -6.789 -7.417 1.00 1.68 C ATOM 961 OE1 GLN A 59 -5.885 -6.644 -8.313 1.00 2.39 O ATOM 962 NE2 GLN A 59 -7.928 -7.282 -7.639 1.00 2.14 N ATOM 0 H GLN A 59 -4.953 -7.897 -3.827 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.470 -8.182 -6.652 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -4.743 -5.817 -4.765 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -4.464 -5.636 -6.486 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -6.819 -7.150 -5.312 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -6.875 -5.455 -5.754 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -8.586 -7.385 -6.866 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -8.202 -7.558 -8.582 1.00 2.14 H new ATOM 971 N HIS A 60 -2.199 -6.802 -6.880 1.00 0.80 N ATOM 972 CA HIS A 60 -0.777 -6.536 -7.040 1.00 1.11 C ATOM 973 C HIS A 60 -0.543 -5.216 -7.761 1.00 0.88 C ATOM 974 O HIS A 60 -0.672 -5.131 -8.982 1.00 1.12 O ATOM 975 CB HIS A 60 -0.109 -7.673 -7.811 1.00 1.75 C ATOM 976 CG HIS A 60 1.383 -7.668 -7.703 1.00 1.87 C ATOM 977 ND1 HIS A 60 2.061 -6.995 -6.712 1.00 2.49 N ATOM 978 CD2 HIS A 60 2.330 -8.253 -8.472 1.00 2.11 C ATOM 979 CE1 HIS A 60 3.360 -7.164 -6.875 1.00 2.81 C ATOM 980 NE2 HIS A 60 3.550 -7.924 -7.936 1.00 2.58 N ATOM 0 H HIS A 60 -2.780 -6.483 -7.656 1.00 0.80 H new ATOM 0 HA HIS A 60 -0.335 -6.467 -6.046 1.00 1.11 H new ATOM 0 HB2 HIS A 60 -0.489 -8.625 -7.441 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -0.390 -7.604 -8.862 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.158 -8.865 -9.345 1.00 2.11 H new ATOM 0 HE1 HIS A 60 4.135 -6.750 -6.247 1.00 2.81 H new ATOM 0 HE2 HIS A 60 4.456 -8.219 -8.299 1.00 2.58 H new ATOM 989 N VAL A 61 -0.189 -4.191 -6.997 1.00 0.60 N ATOM 990 CA VAL A 61 0.075 -2.874 -7.558 1.00 0.59 C ATOM 991 C VAL A 61 1.497 -2.434 -7.242 1.00 0.51 C ATOM 992 O VAL A 61 1.938 -2.504 -6.094 1.00 0.55 O ATOM 993 CB VAL A 61 -0.909 -1.818 -7.024 1.00 0.87 C ATOM 994 CG1 VAL A 61 -1.030 -0.663 -8.004 1.00 1.32 C ATOM 995 CG2 VAL A 61 -2.269 -2.441 -6.753 1.00 1.48 C ATOM 0 H VAL A 61 -0.078 -4.247 -5.985 1.00 0.60 H new ATOM 0 HA VAL A 61 -0.056 -2.955 -8.637 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.521 -1.429 -6.082 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.729 0.075 -7.612 1.00 1.32 H new ATOM 0 HG12 VAL A 61 -0.053 -0.200 -8.143 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -1.394 -1.035 -8.962 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -2.950 -1.678 -6.376 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.668 -2.859 -7.677 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -2.165 -3.233 -6.011 1.00 1.48 H new ATOM 1005 N GLU A 62 2.216 -1.991 -8.265 1.00 0.81 N ATOM 1006 CA GLU A 62 3.594 -1.551 -8.089 1.00 1.05 C ATOM 1007 C GLU A 62 3.711 -0.036 -8.171 1.00 0.71 C ATOM 1008 O GLU A 62 3.261 0.584 -9.135 1.00 0.80 O ATOM 1009 CB GLU A 62 4.495 -2.196 -9.139 1.00 1.61 C ATOM 1010 CG GLU A 62 4.527 -3.710 -9.060 1.00 2.42 C ATOM 1011 CD GLU A 62 5.660 -4.306 -9.865 1.00 3.17 C ATOM 1012 OE1 GLU A 62 6.726 -3.661 -9.956 1.00 3.63 O ATOM 1013 OE2 GLU A 62 5.483 -5.417 -10.406 1.00 3.60 O ATOM 0 H GLU A 62 1.870 -1.927 -9.222 1.00 0.81 H new ATOM 0 HA GLU A 62 3.915 -1.863 -7.095 1.00 1.05 H new ATOM 0 HB2 GLU A 62 4.154 -1.899 -10.131 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.509 -1.812 -9.022 1.00 1.61 H new ATOM 0 HG2 GLU A 62 4.626 -4.015 -8.018 1.00 2.42 H new ATOM 0 HG3 GLU A 62 3.579 -4.110 -9.420 1.00 2.42 H new ATOM 1020 N LEU A 63 4.334 0.548 -7.156 1.00 0.61 N ATOM 1021 CA LEU A 63 4.536 1.988 -7.102 1.00 0.71 C ATOM 1022 C LEU A 63 6.026 2.303 -7.062 1.00 0.75 C ATOM 1023 O LEU A 63 6.631 2.350 -5.991 1.00 0.94 O ATOM 1024 CB LEU A 63 3.834 2.579 -5.878 1.00 0.97 C ATOM 1025 CG LEU A 63 2.309 2.476 -5.900 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.838 1.360 -4.981 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.680 3.802 -5.501 1.00 1.18 C ATOM 0 H LEU A 63 4.710 0.042 -6.354 1.00 0.61 H new ATOM 0 HA LEU A 63 4.105 2.437 -7.997 1.00 0.71 H new ATOM 0 HB2 LEU A 63 4.205 2.075 -4.986 1.00 0.97 H new ATOM 0 HB3 LEU A 63 4.112 3.629 -5.790 1.00 0.97 H new ATOM 0 HG LEU A 63 1.993 2.239 -6.916 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.750 1.301 -5.009 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.262 0.412 -5.313 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.164 1.566 -3.962 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.594 3.711 -5.522 1.00 1.18 H new ATOM 0 HD22 LEU A 63 2.002 4.069 -4.495 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.992 4.578 -6.200 1.00 1.18 H new ATOM 1039 N SER A 64 6.611 2.499 -8.240 1.00 0.78 N ATOM 1040 CA SER A 64 8.036 2.792 -8.355 1.00 0.89 C ATOM 1041 C SER A 64 8.450 3.923 -7.420 1.00 0.82 C ATOM 1042 O SER A 64 9.561 3.925 -6.894 1.00 1.57 O ATOM 1043 CB SER A 64 8.387 3.153 -9.798 1.00 1.13 C ATOM 1044 OG SER A 64 8.080 2.086 -10.678 1.00 1.36 O ATOM 0 H SER A 64 6.118 2.460 -9.132 1.00 0.78 H new ATOM 0 HA SER A 64 8.584 1.896 -8.064 1.00 0.89 H new ATOM 0 HB2 SER A 64 7.837 4.045 -10.097 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.448 3.393 -9.869 1.00 1.13 H new ATOM 0 HG SER A 64 8.312 2.341 -11.595 1.00 1.36 H new ATOM 1050 N ASN A 65 7.554 4.881 -7.219 1.00 1.03 N ATOM 1051 CA ASN A 65 7.834 6.016 -6.346 1.00 0.94 C ATOM 1052 C ASN A 65 6.538 6.660 -5.865 1.00 0.82 C ATOM 1053 O ASN A 65 6.450 7.881 -5.732 1.00 1.16 O ATOM 1054 CB ASN A 65 8.691 7.049 -7.080 1.00 1.03 C ATOM 1055 CG ASN A 65 9.938 7.429 -6.304 1.00 1.41 C ATOM 1056 OD1 ASN A 65 10.218 8.609 -6.098 1.00 2.04 O ATOM 1057 ND2 ASN A 65 10.695 6.429 -5.870 1.00 1.97 N ATOM 0 H ASN A 65 6.628 4.896 -7.647 1.00 1.03 H new ATOM 0 HA ASN A 65 8.382 5.652 -5.477 1.00 0.94 H new ATOM 0 HB2 ASN A 65 8.980 6.651 -8.053 1.00 1.03 H new ATOM 0 HB3 ASN A 65 8.096 7.943 -7.266 1.00 1.03 H new ATOM 0 HD21 ASN A 65 11.546 6.625 -5.343 1.00 1.97 H new ATOM 0 HD22 ASN A 65 10.426 5.464 -6.063 1.00 1.97 H new ATOM 1064 N GLY A 66 5.533 5.830 -5.611 1.00 0.69 N ATOM 1065 CA GLY A 66 4.252 6.334 -5.153 1.00 0.66 C ATOM 1066 C GLY A 66 4.141 6.366 -3.642 1.00 0.61 C ATOM 1067 O GLY A 66 4.549 5.423 -2.962 1.00 0.87 O ATOM 0 H GLY A 66 5.582 4.816 -5.714 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.101 7.340 -5.545 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.455 5.710 -5.558 1.00 0.66 H new ATOM 1071 N THR A 67 3.582 7.452 -3.118 1.00 0.40 N ATOM 1072 CA THR A 67 3.408 7.608 -1.680 1.00 0.41 C ATOM 1073 C THR A 67 1.952 7.905 -1.340 1.00 0.36 C ATOM 1074 O THR A 67 1.569 7.939 -0.172 1.00 0.39 O ATOM 1075 CB THR A 67 4.297 8.736 -1.123 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.282 9.856 -2.015 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.727 8.253 -0.933 1.00 0.70 C ATOM 0 H THR A 67 3.241 8.239 -3.670 1.00 0.40 H new ATOM 0 HA THR A 67 3.705 6.666 -1.218 1.00 0.41 H new ATOM 0 HB THR A 67 3.900 9.038 -0.154 1.00 0.57 H new ATOM 0 HG1 THR A 67 4.848 10.570 -1.653 1.00 0.63 H new ATOM 0 HG21 THR A 67 6.336 9.066 -0.539 1.00 0.70 H new ATOM 0 HG22 THR A 67 5.739 7.418 -0.232 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.132 7.928 -1.892 1.00 0.70 H new ATOM 1085 N ALA A 68 1.145 8.116 -2.375 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.273 8.406 -2.204 1.00 0.47 C ATOM 1087 C ALA A 68 -1.094 7.713 -3.285 1.00 0.47 C ATOM 1088 O ALA A 68 -1.436 8.316 -4.303 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.510 9.909 -2.234 1.00 0.59 C ATOM 0 H ALA A 68 1.453 8.091 -3.347 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.592 8.023 -1.234 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.573 10.112 -2.105 1.00 0.59 H new ATOM 0 HB2 ALA A 68 0.050 10.382 -1.427 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.177 10.311 -3.191 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.396 6.437 -3.063 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.163 5.653 -4.023 1.00 0.45 C ATOM 1097 C HIS A 69 -3.661 5.769 -3.770 1.00 0.40 C ATOM 1098 O HIS A 69 -4.136 5.540 -2.658 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.742 4.185 -3.959 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.187 3.384 -5.141 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.652 3.544 -6.401 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -3.123 2.411 -5.252 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.240 2.706 -7.237 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.135 2.007 -6.564 1.00 0.75 N ATOM 0 H HIS A 69 -1.120 5.924 -2.225 1.00 0.43 H new ATOM 0 HA HIS A 69 -1.955 6.050 -5.017 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.656 4.130 -3.881 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.150 3.738 -3.053 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.744 2.025 -4.457 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.025 2.610 -8.291 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.738 1.284 -6.956 1.00 0.75 H new ATOM 1113 N THR A 70 -4.400 6.113 -4.818 1.00 0.41 N ATOM 1114 CA THR A 70 -5.847 6.248 -4.729 1.00 0.44 C ATOM 1115 C THR A 70 -6.532 5.127 -5.501 1.00 0.47 C ATOM 1116 O THR A 70 -6.478 5.088 -6.730 1.00 0.72 O ATOM 1117 CB THR A 70 -6.315 7.604 -5.286 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.216 8.521 -5.330 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.429 8.186 -4.431 1.00 0.84 C ATOM 0 H THR A 70 -4.017 6.304 -5.744 1.00 0.41 H new ATOM 0 HA THR A 70 -6.119 6.188 -3.675 1.00 0.44 H new ATOM 0 HB THR A 70 -6.697 7.444 -6.294 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.522 9.381 -5.687 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.743 9.144 -4.845 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.276 7.500 -4.421 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.068 8.331 -3.413 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.163 4.208 -4.776 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.841 3.079 -5.407 1.00 0.44 C ATOM 1129 C ILE A 71 -9.356 3.189 -5.293 1.00 0.34 C ATOM 1130 O ILE A 71 -9.907 3.220 -4.193 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.401 1.731 -4.798 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.641 1.948 -3.487 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.546 0.958 -5.790 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.749 0.782 -2.529 1.00 0.70 C ATOM 0 H ILE A 71 -7.219 4.222 -3.758 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.555 3.112 -6.458 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.294 1.146 -4.578 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.590 2.128 -3.711 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -7.022 2.846 -2.999 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.243 0.009 -5.347 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.122 0.768 -6.696 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -5.660 1.542 -6.039 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -6.187 1.003 -1.622 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -7.796 0.615 -2.276 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.342 -0.113 -2.998 1.00 0.70 H new ATOM 1146 N THR A 72 -10.022 3.225 -6.441 1.00 0.37 N ATOM 1147 CA THR A 72 -11.476 3.308 -6.481 1.00 0.33 C ATOM 1148 C THR A 72 -12.080 1.919 -6.650 1.00 0.31 C ATOM 1149 O THR A 72 -13.226 1.771 -7.074 1.00 0.33 O ATOM 1150 CB THR A 72 -11.962 4.213 -7.628 1.00 0.43 C ATOM 1151 OG1 THR A 72 -10.956 5.181 -7.949 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.251 4.923 -7.244 1.00 1.22 C ATOM 0 H THR A 72 -9.577 3.198 -7.358 1.00 0.37 H new ATOM 0 HA THR A 72 -11.802 3.742 -5.536 1.00 0.33 H new ATOM 0 HB THR A 72 -12.154 3.588 -8.500 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.272 5.751 -8.680 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.577 5.557 -8.069 1.00 1.22 H new ATOM 0 HG22 THR A 72 -14.023 4.184 -7.028 1.00 1.22 H new ATOM 0 HG23 THR A 72 -13.079 5.537 -6.360 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.289 0.904 -6.317 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.723 -0.483 -6.428 1.00 0.40 C ATOM 1162 C ASP A 73 -12.066 -1.058 -5.057 1.00 0.39 C ATOM 1163 O ASP A 73 -12.241 -2.267 -4.906 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.624 -1.321 -7.086 1.00 0.52 C ATOM 1165 CG ASP A 73 -11.180 -2.353 -8.047 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.678 -3.395 -7.575 1.00 1.31 O ATOM 1167 OD2 ASP A 73 -11.118 -2.117 -9.271 1.00 1.21 O ATOM 0 H ASP A 73 -10.338 1.018 -5.966 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.620 -0.514 -7.046 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.940 -0.662 -7.621 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -10.043 -1.824 -6.313 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.155 -0.182 -4.060 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.468 -0.600 -2.697 1.00 0.33 C ATOM 1174 C ALA A 74 -13.969 -0.567 -2.428 1.00 0.35 C ATOM 1175 O ALA A 74 -14.657 0.382 -2.802 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.736 0.282 -1.701 1.00 0.36 C ATOM 0 H ALA A 74 -12.015 0.822 -4.171 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.134 -1.631 -2.579 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -11.976 -0.038 -0.687 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.661 0.199 -1.863 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.045 1.318 -1.837 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.464 -1.610 -1.767 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.881 -1.710 -1.434 1.00 0.52 C ATOM 1184 C TYR A 75 -16.213 -0.859 -0.214 1.00 0.46 C ATOM 1185 O TYR A 75 -15.526 -0.925 0.805 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.260 -3.170 -1.166 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.778 -3.923 -2.378 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -16.853 -3.320 -3.630 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -17.192 -5.244 -2.264 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -17.325 -4.011 -4.728 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -17.665 -5.942 -3.359 1.00 2.26 C ATOM 1192 CZ TYR A 75 -17.729 -5.321 -4.587 1.00 2.21 C ATOM 1193 OH TYR A 75 -18.199 -6.012 -5.680 1.00 2.86 O ATOM 0 H TYR A 75 -13.902 -2.400 -1.451 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.456 -1.340 -2.283 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.386 -3.692 -0.777 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -17.021 -3.196 -0.386 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -16.537 -2.294 -3.745 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -17.143 -5.734 -1.303 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -17.377 -3.528 -5.692 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -17.983 -6.969 -3.253 1.00 2.26 H new ATOM 0 HH TYR A 75 -18.441 -6.923 -5.412 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.269 -0.061 -0.325 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.692 0.804 0.770 1.00 0.57 C ATOM 1205 C ALA A 76 -18.410 0.013 1.857 1.00 0.50 C ATOM 1206 O ALA A 76 -18.415 0.408 3.023 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.589 1.914 0.245 1.00 0.74 C ATOM 0 H ALA A 76 -17.848 0.005 -1.162 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.800 1.246 1.213 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.899 2.553 1.072 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -18.042 2.508 -0.488 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.470 1.478 -0.226 1.00 0.74 H new ATOM 1213 N GLY A 77 -19.023 -1.100 1.468 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.743 -1.921 2.423 1.00 0.55 C ATOM 1215 C GLY A 77 -18.872 -2.980 3.074 1.00 0.48 C ATOM 1216 O GLY A 77 -19.266 -3.583 4.071 1.00 0.58 O ATOM 0 H GLY A 77 -19.034 -1.448 0.509 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.166 -1.281 3.197 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.579 -2.406 1.919 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.689 -3.211 2.511 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.772 -4.211 3.052 1.00 0.49 C ATOM 1222 C LYS A 78 -15.397 -3.613 3.321 1.00 0.43 C ATOM 1223 O LYS A 78 -14.930 -2.747 2.582 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.639 -5.389 2.085 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.971 -5.975 1.653 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.492 -6.982 2.664 1.00 1.62 C ATOM 1227 CE LYS A 78 -19.805 -6.526 3.278 1.00 1.93 C ATOM 1228 NZ LYS A 78 -20.873 -7.553 3.132 1.00 2.32 N ATOM 0 H LYS A 78 -17.344 -2.722 1.685 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.186 -4.562 3.997 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -16.092 -5.062 1.201 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -16.044 -6.171 2.558 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -18.699 -5.173 1.529 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.859 -6.458 0.682 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -18.632 -7.948 2.178 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -17.752 -7.126 3.451 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -19.655 -6.307 4.335 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -20.125 -5.599 2.803 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -21.752 -7.203 3.564 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -21.035 -7.744 2.123 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -20.579 -8.430 3.608 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.751 -4.087 4.379 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.426 -3.605 4.741 1.00 0.43 C ATOM 1244 C GLU A 79 -12.376 -4.151 3.783 1.00 0.37 C ATOM 1245 O GLU A 79 -12.517 -5.254 3.255 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.089 -4.007 6.175 1.00 0.59 C ATOM 1247 CG GLU A 79 -13.967 -3.328 7.211 1.00 1.13 C ATOM 1248 CD GLU A 79 -13.302 -3.231 8.568 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -12.522 -2.280 8.780 1.00 2.05 O ATOM 1250 OE2 GLU A 79 -13.560 -4.108 9.417 1.00 2.20 O ATOM 0 H GLU A 79 -15.124 -4.805 5.001 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.426 -2.517 4.671 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.190 -5.088 6.275 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.046 -3.764 6.377 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -14.223 -2.327 6.864 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -14.902 -3.881 7.308 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.327 -3.369 3.557 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.256 -3.769 2.655 1.00 0.38 C ATOM 1259 C TYR A 80 -8.911 -3.787 3.372 1.00 0.41 C ATOM 1260 O TYR A 80 -8.479 -2.775 3.925 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.189 -2.813 1.463 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.818 -3.358 0.199 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.119 -3.843 0.199 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.110 -3.380 -0.996 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.697 -4.337 -0.955 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.681 -3.871 -2.155 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.974 -4.348 -2.129 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.547 -4.838 -3.281 1.00 0.85 O ATOM 0 H TYR A 80 -11.196 -2.453 3.987 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.473 -4.777 2.302 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.686 -1.880 1.730 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.145 -2.572 1.262 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.689 -3.834 1.116 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -9.097 -3.007 -1.020 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.710 -4.712 -0.937 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -10.117 -3.881 -3.076 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.537 -4.144 -3.973 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.244 -4.936 3.344 1.00 0.31 N ATOM 1279 CA ILE A 81 -6.937 -5.071 3.974 1.00 0.33 C ATOM 1280 C ILE A 81 -5.837 -4.785 2.956 1.00 0.29 C ATOM 1281 O ILE A 81 -5.447 -5.655 2.177 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.736 -6.474 4.595 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.294 -6.646 5.082 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.100 -7.566 3.599 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.189 -7.326 6.430 1.00 1.11 C ATOM 0 H ILE A 81 -8.586 -5.784 2.893 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.883 -4.344 4.784 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.402 -6.564 5.453 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.737 -7.227 4.347 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.819 -5.667 5.140 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -6.950 -8.543 4.059 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.145 -7.459 3.307 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.466 -7.480 2.717 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.140 -7.414 6.712 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.717 -6.735 7.178 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.634 -8.319 6.372 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.358 -3.547 2.954 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.321 -3.130 2.019 1.00 0.30 C ATOM 1299 C ILE A 82 -2.931 -3.254 2.633 1.00 0.32 C ATOM 1300 O ILE A 82 -2.512 -2.408 3.423 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.537 -1.676 1.548 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.992 -1.250 1.758 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -4.149 -1.532 0.086 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.177 0.249 1.856 1.00 0.64 C ATOM 0 H ILE A 82 -5.672 -2.814 3.590 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.391 -3.797 1.160 1.00 0.30 H new ATOM 0 HB ILE A 82 -3.900 -1.023 2.145 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.595 -1.629 0.933 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.370 -1.715 2.669 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -4.307 -0.502 -0.232 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -3.098 -1.794 -0.039 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -4.763 -2.197 -0.521 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.233 0.476 2.004 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -5.601 0.632 2.699 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.830 0.719 0.936 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.219 -4.312 2.258 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.872 -4.545 2.766 1.00 0.34 C ATOM 1318 C GLN A 83 0.166 -3.874 1.872 1.00 0.29 C ATOM 1319 O GLN A 83 0.110 -3.987 0.648 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.587 -6.044 2.863 1.00 0.44 C ATOM 1321 CG GLN A 83 0.527 -6.382 3.839 1.00 0.60 C ATOM 1322 CD GLN A 83 0.206 -7.585 4.702 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -0.619 -8.423 4.340 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.862 -7.677 5.852 1.00 0.64 N ATOM 0 H GLN A 83 -2.552 -5.021 1.605 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.807 -4.109 3.763 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.497 -6.561 3.168 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.322 -6.421 1.875 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.445 -6.574 3.283 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.716 -5.521 4.480 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.538 -6.959 6.112 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.690 -8.466 6.475 1.00 0.64 H new ATOM 1333 N VAL A 84 1.108 -3.170 2.493 1.00 0.28 N ATOM 1334 CA VAL A 84 2.155 -2.474 1.753 1.00 0.28 C ATOM 1335 C VAL A 84 3.526 -3.082 2.023 1.00 0.28 C ATOM 1336 O VAL A 84 3.876 -3.366 3.169 1.00 0.32 O ATOM 1337 CB VAL A 84 2.197 -0.977 2.113 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.942 -0.194 1.043 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.790 -0.432 2.303 1.00 0.51 C ATOM 0 H VAL A 84 1.168 -3.067 3.506 1.00 0.28 H new ATOM 0 HA VAL A 84 1.914 -2.584 0.696 1.00 0.28 H new ATOM 0 HB VAL A 84 2.733 -0.863 3.055 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.962 0.862 1.313 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.963 -0.568 0.963 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.435 -0.314 0.085 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.841 0.627 2.557 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.224 -0.557 1.380 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.295 -0.975 3.109 1.00 0.51 H new ATOM 1349 N ALA A 85 4.300 -3.272 0.960 1.00 0.31 N ATOM 1350 CA ALA A 85 5.638 -3.838 1.078 1.00 0.36 C ATOM 1351 C ALA A 85 6.693 -2.841 0.618 1.00 0.30 C ATOM 1352 O ALA A 85 6.370 -1.726 0.207 1.00 0.37 O ATOM 1353 CB ALA A 85 5.743 -5.124 0.275 1.00 0.49 C ATOM 0 H ALA A 85 4.023 -3.042 0.006 1.00 0.31 H new ATOM 0 HA ALA A 85 5.818 -4.065 2.129 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.748 -5.534 0.374 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.018 -5.847 0.649 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.538 -4.915 -0.775 1.00 0.49 H new ATOM 1359 N ALA A 86 7.955 -3.249 0.691 1.00 0.35 N ATOM 1360 CA ALA A 86 9.058 -2.390 0.286 1.00 0.45 C ATOM 1361 C ALA A 86 10.105 -3.163 -0.505 1.00 0.40 C ATOM 1362 O ALA A 86 10.249 -4.376 -0.352 1.00 0.55 O ATOM 1363 CB ALA A 86 9.695 -1.740 1.504 1.00 0.70 C ATOM 0 H ALA A 86 8.238 -4.169 1.027 1.00 0.35 H new ATOM 0 HA ALA A 86 8.654 -1.613 -0.363 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.518 -1.100 1.186 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.951 -1.140 2.027 1.00 0.70 H new ATOM 0 HB3 ALA A 86 10.073 -2.513 2.173 1.00 0.70 H new ATOM 1369 N LYS A 87 10.837 -2.443 -1.347 1.00 0.46 N ATOM 1370 CA LYS A 87 11.883 -3.038 -2.168 1.00 0.49 C ATOM 1371 C LYS A 87 12.697 -1.943 -2.847 1.00 0.61 C ATOM 1372 O LYS A 87 12.251 -0.802 -2.941 1.00 0.80 O ATOM 1373 CB LYS A 87 11.272 -3.967 -3.219 1.00 0.62 C ATOM 1374 CG LYS A 87 12.287 -4.849 -3.927 1.00 0.69 C ATOM 1375 CD LYS A 87 12.348 -4.533 -5.412 1.00 0.91 C ATOM 1376 CE LYS A 87 12.662 -5.770 -6.237 1.00 1.08 C ATOM 1377 NZ LYS A 87 12.260 -5.601 -7.660 1.00 1.33 N ATOM 0 H LYS A 87 10.723 -1.438 -1.479 1.00 0.46 H new ATOM 0 HA LYS A 87 12.541 -3.624 -1.526 1.00 0.49 H new ATOM 0 HB2 LYS A 87 10.526 -4.601 -2.739 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.748 -3.365 -3.961 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.271 -4.705 -3.481 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.023 -5.897 -3.786 1.00 0.69 H new ATOM 0 HD2 LYS A 87 11.395 -4.113 -5.734 1.00 0.91 H new ATOM 0 HD3 LYS A 87 13.108 -3.773 -5.592 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.730 -5.981 -6.183 1.00 1.08 H new ATOM 0 HE3 LYS A 87 12.145 -6.631 -5.813 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 12.490 -6.465 -8.191 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 11.236 -5.424 -7.713 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 12.772 -4.795 -8.072 1.00 1.33 H new ATOM 1391 N ASP A 88 13.889 -2.290 -3.315 1.00 0.67 N ATOM 1392 CA ASP A 88 14.749 -1.321 -3.981 1.00 0.81 C ATOM 1393 C ASP A 88 14.706 -1.510 -5.492 1.00 0.90 C ATOM 1394 O ASP A 88 14.790 -2.633 -5.989 1.00 1.00 O ATOM 1395 CB ASP A 88 16.185 -1.443 -3.475 1.00 0.96 C ATOM 1396 CG ASP A 88 17.089 -0.365 -4.040 1.00 1.22 C ATOM 1397 OD1 ASP A 88 16.724 0.826 -3.946 1.00 1.53 O ATOM 1398 OD2 ASP A 88 18.162 -0.712 -4.576 1.00 1.42 O ATOM 0 H ASP A 88 14.280 -3.229 -3.246 1.00 0.67 H new ATOM 0 HA ASP A 88 14.380 -0.322 -3.747 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.190 -1.384 -2.387 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.580 -2.423 -3.743 1.00 0.96 H new ATOM 1403 N ASN A 89 14.571 -0.404 -6.216 1.00 1.00 N ATOM 1404 CA ASN A 89 14.511 -0.445 -7.672 1.00 1.17 C ATOM 1405 C ASN A 89 15.808 -0.993 -8.258 1.00 1.27 C ATOM 1406 O ASN A 89 15.792 -1.712 -9.258 1.00 1.46 O ATOM 1407 CB ASN A 89 14.232 0.951 -8.232 1.00 1.30 C ATOM 1408 CG ASN A 89 12.986 0.987 -9.095 1.00 1.53 C ATOM 1409 OD1 ASN A 89 11.870 1.070 -8.587 1.00 1.91 O ATOM 1410 ND2 ASN A 89 13.171 0.921 -10.407 1.00 1.75 N ATOM 0 H ASN A 89 14.501 0.532 -5.818 1.00 1.00 H new ATOM 0 HA ASN A 89 13.697 -1.112 -7.957 1.00 1.17 H new ATOM 0 HB2 ASN A 89 14.120 1.655 -7.407 1.00 1.30 H new ATOM 0 HB3 ASN A 89 15.088 1.282 -8.820 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.369 0.938 -11.037 1.00 1.75 H new ATOM 0 HD22 ASN A 89 14.115 0.853 -10.786 1.00 1.75 H new ATOM 1417 N GLU A 90 16.928 -0.650 -7.632 1.00 1.29 N ATOM 1418 CA GLU A 90 18.233 -1.106 -8.093 1.00 1.46 C ATOM 1419 C GLU A 90 18.401 -2.605 -7.864 1.00 1.44 C ATOM 1420 O GLU A 90 18.268 -3.402 -8.793 1.00 1.57 O ATOM 1421 CB GLU A 90 19.345 -0.338 -7.377 1.00 1.60 C ATOM 1422 CG GLU A 90 19.663 1.004 -8.015 1.00 1.82 C ATOM 1423 CD GLU A 90 20.184 0.864 -9.431 1.00 1.96 C ATOM 1424 OE1 GLU A 90 21.372 0.517 -9.593 1.00 2.17 O ATOM 1425 OE2 GLU A 90 19.403 1.096 -10.377 1.00 2.26 O ATOM 0 H GLU A 90 16.958 -0.057 -6.803 1.00 1.29 H new ATOM 0 HA GLU A 90 18.300 -0.914 -9.164 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.055 -0.178 -6.339 1.00 1.60 H new ATOM 0 HB3 GLU A 90 20.248 -0.949 -7.365 1.00 1.60 H new ATOM 0 HG2 GLU A 90 18.765 1.622 -8.021 1.00 1.82 H new ATOM 0 HG3 GLU A 90 20.404 1.525 -7.408 1.00 1.82 H new ATOM 1432 N ILE A 91 18.693 -2.983 -6.626 1.00 1.38 N ATOM 1433 CA ILE A 91 18.878 -4.386 -6.284 1.00 1.45 C ATOM 1434 C ILE A 91 17.600 -4.976 -5.696 1.00 1.48 C ATOM 1435 O ILE A 91 16.975 -4.383 -4.815 1.00 1.79 O ATOM 1436 CB ILE A 91 20.044 -4.572 -5.296 1.00 1.63 C ATOM 1437 CG1 ILE A 91 21.331 -3.998 -5.895 1.00 2.02 C ATOM 1438 CG2 ILE A 91 20.221 -6.043 -4.949 1.00 1.69 C ATOM 1439 CD1 ILE A 91 22.368 -3.614 -4.862 1.00 2.51 C ATOM 0 H ILE A 91 18.807 -2.338 -5.844 1.00 1.38 H new ATOM 0 HA ILE A 91 19.119 -4.916 -7.205 1.00 1.45 H new ATOM 0 HB ILE A 91 19.816 -4.034 -4.376 1.00 1.63 H new ATOM 0 HG12 ILE A 91 21.763 -4.733 -6.574 1.00 2.02 H new ATOM 0 HG13 ILE A 91 21.083 -3.120 -6.491 1.00 2.02 H new ATOM 0 HG21 ILE A 91 21.050 -6.155 -4.250 1.00 1.69 H new ATOM 0 HG22 ILE A 91 19.307 -6.422 -4.492 1.00 1.69 H new ATOM 0 HG23 ILE A 91 20.434 -6.608 -5.857 1.00 1.69 H new ATOM 0 HD11 ILE A 91 23.250 -3.216 -5.363 1.00 2.51 H new ATOM 0 HD12 ILE A 91 21.955 -2.856 -4.197 1.00 2.51 H new ATOM 0 HD13 ILE A 91 22.646 -4.494 -4.281 1.00 2.51 H new ATOM 1451 N GLY A 92 17.211 -6.139 -6.207 1.00 1.53 N ATOM 1452 CA GLY A 92 16.000 -6.794 -5.749 1.00 1.75 C ATOM 1453 C GLY A 92 16.087 -7.315 -4.328 1.00 1.30 C ATOM 1454 O GLY A 92 16.496 -8.453 -4.100 1.00 1.27 O ATOM 0 H GLY A 92 17.717 -6.643 -6.935 1.00 1.53 H new ATOM 0 HA2 GLY A 92 15.169 -6.092 -5.818 1.00 1.75 H new ATOM 0 HA3 GLY A 92 15.772 -7.624 -6.417 1.00 1.75 H new ATOM 1458 N THR A 93 15.671 -6.491 -3.373 1.00 1.16 N ATOM 1459 CA THR A 93 15.670 -6.883 -1.970 1.00 0.92 C ATOM 1460 C THR A 93 14.237 -6.945 -1.456 1.00 0.81 C ATOM 1461 O THR A 93 13.827 -6.148 -0.611 1.00 0.82 O ATOM 1462 CB THR A 93 16.488 -5.909 -1.102 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.236 -5.020 -1.937 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.436 -6.669 -0.188 1.00 1.62 C ATOM 0 H THR A 93 15.330 -5.546 -3.546 1.00 1.16 H new ATOM 0 HA THR A 93 16.136 -7.866 -1.899 1.00 0.92 H new ATOM 0 HB THR A 93 15.796 -5.334 -0.487 1.00 1.19 H new ATOM 0 HG1 THR A 93 17.752 -4.403 -1.378 1.00 1.75 H new ATOM 0 HG21 THR A 93 18.004 -5.962 0.416 1.00 1.62 H new ATOM 0 HG22 THR A 93 16.862 -7.326 0.466 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.122 -7.265 -0.790 1.00 1.62 H new ATOM 1472 N TRP A 94 13.477 -7.888 -2.004 1.00 0.78 N ATOM 1473 CA TRP A 94 12.073 -8.066 -1.650 1.00 0.75 C ATOM 1474 C TRP A 94 11.864 -8.170 -0.145 1.00 0.74 C ATOM 1475 O TRP A 94 12.514 -8.965 0.536 1.00 0.89 O ATOM 1476 CB TRP A 94 11.513 -9.313 -2.333 1.00 0.82 C ATOM 1477 CG TRP A 94 10.904 -9.029 -3.670 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.561 -8.907 -4.860 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.515 -8.826 -3.955 1.00 1.04 C ATOM 1480 NE1 TRP A 94 10.667 -8.640 -5.868 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.405 -8.586 -5.338 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.354 -8.824 -3.177 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 8.181 -8.347 -5.957 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.139 -8.587 -3.793 1.00 1.55 C ATOM 1485 CH2 TRP A 94 7.061 -8.352 -5.171 1.00 1.63 C ATOM 0 H TRP A 94 13.816 -8.548 -2.704 1.00 0.78 H new ATOM 0 HA TRP A 94 11.540 -7.181 -1.997 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.313 -10.044 -2.453 1.00 0.82 H new ATOM 0 HB3 TRP A 94 10.761 -9.766 -1.687 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.629 -9.006 -4.990 1.00 0.93 H new ATOM 0 HE1 TRP A 94 10.904 -8.504 -6.851 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.405 -9.004 -2.113 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 8.118 -8.164 -7.020 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.235 -8.583 -3.202 1.00 1.55 H new ATOM 0 HH2 TRP A 94 6.097 -8.171 -5.623 1.00 1.63 H new ATOM 1496 N SER A 95 10.929 -7.372 0.357 1.00 0.65 N ATOM 1497 CA SER A 95 10.593 -7.370 1.773 1.00 0.65 C ATOM 1498 C SER A 95 9.194 -7.940 1.973 1.00 0.63 C ATOM 1499 O SER A 95 8.234 -7.479 1.355 1.00 0.72 O ATOM 1500 CB SER A 95 10.670 -5.952 2.341 1.00 0.68 C ATOM 1501 OG SER A 95 11.727 -5.218 1.745 1.00 0.94 O ATOM 0 H SER A 95 10.387 -6.713 -0.202 1.00 0.65 H new ATOM 0 HA SER A 95 11.312 -7.993 2.304 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.725 -5.437 2.170 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.818 -5.997 3.420 1.00 0.68 H new ATOM 0 HG SER A 95 11.444 -4.893 0.865 1.00 0.94 H new ATOM 1507 N ASP A 96 9.089 -8.951 2.827 1.00 0.69 N ATOM 1508 CA ASP A 96 7.810 -9.597 3.103 1.00 0.74 C ATOM 1509 C ASP A 96 6.748 -8.570 3.497 1.00 0.63 C ATOM 1510 O ASP A 96 7.061 -7.537 4.090 1.00 0.53 O ATOM 1511 CB ASP A 96 7.990 -10.646 4.207 1.00 0.94 C ATOM 1512 CG ASP A 96 6.850 -10.663 5.207 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.799 -9.760 6.066 1.00 1.57 O ATOM 1514 OD2 ASP A 96 6.011 -11.584 5.133 1.00 1.94 O ATOM 0 H ASP A 96 9.877 -9.343 3.343 1.00 0.69 H new ATOM 0 HA ASP A 96 7.465 -10.092 2.195 1.00 0.74 H new ATOM 0 HB2 ASP A 96 8.079 -11.632 3.751 1.00 0.94 H new ATOM 0 HB3 ASP A 96 8.924 -10.453 4.734 1.00 0.94 H new ATOM 1519 N TRP A 97 5.491 -8.864 3.160 1.00 0.76 N ATOM 1520 CA TRP A 97 4.378 -7.969 3.475 1.00 0.73 C ATOM 1521 C TRP A 97 4.388 -7.600 4.954 1.00 0.60 C ATOM 1522 O TRP A 97 4.376 -8.475 5.821 1.00 0.76 O ATOM 1523 CB TRP A 97 3.044 -8.623 3.104 1.00 0.99 C ATOM 1524 CG TRP A 97 3.085 -9.373 1.805 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.975 -10.722 1.635 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.249 -8.816 0.495 1.00 1.05 C ATOM 1527 NE1 TRP A 97 3.059 -11.039 0.301 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.228 -9.886 -0.419 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.410 -7.518 0.006 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.362 -9.697 -1.793 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.544 -7.331 -1.357 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.519 -8.415 -2.243 1.00 1.26 C ATOM 0 H TRP A 97 5.219 -9.716 2.669 1.00 0.76 H new ATOM 0 HA TRP A 97 4.496 -7.058 2.889 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.750 -9.307 3.900 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.275 -7.853 3.045 1.00 0.99 H new ATOM 0 HD1 TRP A 97 2.841 -11.437 2.433 1.00 2.12 H new ATOM 0 HE1 TRP A 97 3.004 -11.980 -0.090 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.429 -6.675 0.681 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.343 -10.532 -2.478 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 3.670 -6.331 -1.745 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.626 -8.235 -3.303 1.00 1.26 H new ATOM 1543 N SER A 98 4.432 -6.301 5.239 1.00 0.41 N ATOM 1544 CA SER A 98 4.471 -5.828 6.619 1.00 0.42 C ATOM 1545 C SER A 98 3.173 -5.131 7.030 1.00 0.38 C ATOM 1546 O SER A 98 2.253 -5.769 7.541 1.00 0.46 O ATOM 1547 CB SER A 98 5.658 -4.883 6.813 1.00 0.51 C ATOM 1548 OG SER A 98 6.245 -4.538 5.569 1.00 0.50 O ATOM 0 H SER A 98 4.441 -5.561 4.537 1.00 0.41 H new ATOM 0 HA SER A 98 4.587 -6.702 7.260 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.327 -3.980 7.326 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.404 -5.357 7.451 1.00 0.51 H new ATOM 0 HG SER A 98 7.089 -4.066 5.725 1.00 0.50 H new ATOM 1554 N VAL A 99 3.118 -3.816 6.830 1.00 0.33 N ATOM 1555 CA VAL A 99 1.946 -3.027 7.206 1.00 0.34 C ATOM 1556 C VAL A 99 0.674 -3.512 6.519 1.00 0.32 C ATOM 1557 O VAL A 99 0.597 -3.569 5.293 1.00 0.34 O ATOM 1558 CB VAL A 99 2.140 -1.532 6.882 1.00 0.42 C ATOM 1559 CG1 VAL A 99 2.843 -0.822 8.027 1.00 1.21 C ATOM 1560 CG2 VAL A 99 2.913 -1.359 5.585 1.00 1.32 C ATOM 0 H VAL A 99 3.872 -3.273 6.409 1.00 0.33 H new ATOM 0 HA VAL A 99 1.837 -3.158 8.283 1.00 0.34 H new ATOM 0 HB VAL A 99 1.156 -1.080 6.754 1.00 0.42 H new ATOM 0 HG11 VAL A 99 2.970 0.232 7.778 1.00 1.21 H new ATOM 0 HG12 VAL A 99 2.244 -0.911 8.933 1.00 1.21 H new ATOM 0 HG13 VAL A 99 3.820 -1.276 8.192 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.039 -0.297 5.375 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.892 -1.828 5.680 1.00 1.32 H new ATOM 0 HG23 VAL A 99 2.363 -1.828 4.769 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.332 -3.836 7.327 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.620 -4.290 6.816 1.00 0.41 C ATOM 1572 C ALA A 100 -2.709 -3.292 7.197 1.00 0.43 C ATOM 1573 O ALA A 100 -3.436 -3.487 8.171 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.951 -5.676 7.351 1.00 0.50 C ATOM 0 H ALA A 100 -0.278 -3.792 8.345 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.565 -4.353 5.729 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.916 -5.997 6.958 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.180 -6.380 7.039 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.995 -5.645 8.440 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.792 -2.206 6.435 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.763 -1.149 6.697 1.00 0.36 C ATOM 1582 C ALA A 101 -5.201 -1.605 6.474 1.00 0.41 C ATOM 1583 O ALA A 101 -5.512 -2.280 5.493 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.458 0.063 5.832 1.00 0.42 C ATOM 0 H ALA A 101 -2.195 -2.034 5.626 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.673 -0.883 7.750 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.188 0.847 6.034 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.458 0.431 6.061 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.510 -0.218 4.780 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.075 -1.202 7.393 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.495 -1.527 7.318 1.00 0.57 C ATOM 1592 C HIS A 102 -8.292 -0.265 7.016 1.00 0.50 C ATOM 1593 O HIS A 102 -8.116 0.755 7.682 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.975 -2.128 8.641 1.00 0.95 C ATOM 1595 CG HIS A 102 -7.867 -3.619 8.717 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -8.087 -4.325 9.880 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -7.562 -4.541 7.772 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -7.922 -5.614 9.649 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -7.604 -5.771 8.378 1.00 2.00 N ATOM 0 H HIS A 102 -5.819 -0.643 8.207 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.646 -2.257 6.523 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.397 -1.692 9.455 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -9.015 -1.842 8.800 1.00 0.95 H new ATOM 0 HD1 HIS A 102 -8.338 -3.915 10.780 1.00 1.60 H new ATOM 0 HD2 HIS A 102 -7.329 -4.344 6.736 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -8.029 -6.405 10.376 1.00 2.18 H new ATOM 1608 N ALA A 103 -9.162 -0.321 6.014 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.957 0.847 5.654 1.00 0.54 C ATOM 1610 C ALA A 103 -11.283 0.468 5.012 1.00 0.36 C ATOM 1611 O ALA A 103 -11.545 -0.699 4.726 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.168 1.749 4.722 1.00 0.91 C ATOM 0 H ALA A 103 -9.334 -1.149 5.444 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.183 1.381 6.577 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.771 2.618 4.460 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.256 2.078 5.220 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.910 1.200 3.817 1.00 0.91 H new ATOM 1618 N THR A 104 -12.111 1.482 4.788 1.00 0.41 N ATOM 1619 CA THR A 104 -13.419 1.301 4.176 1.00 0.38 C ATOM 1620 C THR A 104 -13.891 2.608 3.543 1.00 0.41 C ATOM 1621 O THR A 104 -14.162 3.578 4.251 1.00 0.51 O ATOM 1622 CB THR A 104 -14.465 0.836 5.208 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.893 -0.139 6.087 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.683 0.246 4.517 1.00 0.70 C ATOM 0 H THR A 104 -11.894 2.450 5.025 1.00 0.41 H new ATOM 0 HA THR A 104 -13.318 0.532 3.410 1.00 0.38 H new ATOM 0 HB THR A 104 -14.778 1.705 5.786 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.426 -0.192 6.908 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.407 -0.075 5.266 1.00 0.70 H new ATOM 0 HG22 THR A 104 -16.137 1.000 3.873 1.00 0.70 H new ATOM 0 HG23 THR A 104 -15.380 -0.611 3.915 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.991 2.662 2.200 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.426 3.869 1.492 1.00 0.38 C ATOM 1634 C PRO A 105 -15.761 4.391 2.012 1.00 0.40 C ATOM 1635 O PRO A 105 -16.467 3.696 2.743 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.550 3.424 0.026 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.474 1.934 0.047 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.684 1.567 1.269 1.00 0.40 C ATOM 0 HA PRO A 105 -13.723 4.691 1.630 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.492 3.762 -0.407 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.750 3.848 -0.581 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.471 1.495 0.083 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.992 1.557 -0.855 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -13.986 0.599 1.670 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.617 1.505 1.056 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.088 5.623 1.636 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.329 6.261 2.064 1.00 0.41 C ATOM 1648 C TRP A 106 -18.522 5.321 1.909 1.00 0.48 C ATOM 1649 O TRP A 106 -18.952 5.025 0.795 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.562 7.540 1.257 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.855 8.227 1.576 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.360 8.495 2.816 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.808 8.735 0.636 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.569 9.138 2.703 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.866 9.297 1.375 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.870 8.770 -0.760 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -21.970 9.886 0.766 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.967 9.355 -1.364 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -22.004 9.906 -0.602 1.00 1.07 C ATOM 0 H TRP A 106 -15.507 6.203 1.031 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.233 6.510 3.121 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.739 8.230 1.442 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.542 7.297 0.195 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -18.880 8.239 3.749 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.151 9.447 3.482 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.075 8.347 -1.356 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.771 10.312 1.352 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -21.025 9.388 -2.442 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.848 10.356 -1.104 1.00 1.07 H new ATOM 1670 N THR A 107 -19.053 4.860 3.038 1.00 0.60 N ATOM 1671 CA THR A 107 -20.199 3.959 3.031 1.00 0.75 C ATOM 1672 C THR A 107 -21.484 4.722 2.732 1.00 0.82 C ATOM 1673 O THR A 107 -22.254 5.045 3.637 1.00 0.89 O ATOM 1674 CB THR A 107 -20.351 3.223 4.376 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.069 3.048 4.991 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.011 1.867 4.175 1.00 1.19 C ATOM 0 H THR A 107 -18.708 5.096 3.968 1.00 0.60 H new ATOM 0 HA THR A 107 -20.020 3.222 2.248 1.00 0.75 H new ATOM 0 HB THR A 107 -20.983 3.828 5.026 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.177 2.581 5.846 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.109 1.364 5.137 1.00 1.19 H new ATOM 0 HG22 THR A 107 -21.999 2.005 3.735 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.399 1.260 3.508 1.00 1.19 H new