USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 115 CYS SG : rot -162:sc= 0.618 USER MOD Set 1.2: A 118 CYS SG : rot 119:sc= 0.244 USER MOD Set 1.3: A 137 CYS SG : rot -66:sc= 0.378 USER MOD Set 2.1: A 108 TYR OH : rot 30:sc= 0.994 USER MOD Set 2.2: A 130 TYR OH : rot 15:sc= 1.18 USER MOD Set 3.1: A 87 CYS SG : rot 124:sc= 1.35 USER MOD Set 3.2: A 90 CYS SG : rot -59:sc= 0.937! USER MOD Set 3.3: A 109 HIS : no HD1:sc= 0.826 K(o=-1.6,f=-4.6) USER MOD Set 3.4: A 112 CYS SG : rot 140:sc= -4.73! USER MOD Set 4.1: A 88 SER OG : rot 84:sc= 1.32 USER MOD Set 4.2: A 106 ASN : amide:sc= -0.077 K(o=1.2,f=0.45) USER MOD Set 5.1: A 84 SER OG : rot 105:sc= 0.296 USER MOD Set 5.2: A 415 SER OG : rot 180:sc= 0.118 USER MOD Single : A 83 ASN : amide:sc= -1.23 K(o=-1.2,f=-7.7!) USER MOD Single : A 92 GLN : amide:sc= 1.2 K(o=1.2,f=-0.00098) USER MOD Single : A 93 SER OG : rot 155:sc= 0.7 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 137:sc= -1.95 (180deg=-5!) USER MOD Single : A 104 GLN : amide:sc= 0.226 K(o=0.23,f=-3!) USER MOD Single : A 111 LYS NZ :NH3+ -161:sc= 0.921 (180deg=-0.202) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0.00102 USER MOD Single : A 117 THR OG1 : rot 167:sc= 0.964 USER MOD Single : A 120 ASN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 129 HIS : no HE2:sc= -1.75 X(o=-1.8,f=-1.3) USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 103:sc= 1.2 USER MOD Single : A 139 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.013) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 208 SER OG : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot 180:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -13.044 7.776 -1.889 1.00 0.00 N ATOM 62 CA ARG A 79 -13.024 7.319 -3.277 1.00 0.00 C ATOM 63 C ARG A 79 -13.885 6.073 -3.426 1.00 0.00 C ATOM 64 O ARG A 79 -13.909 5.435 -4.478 1.00 0.00 O ATOM 65 CB ARG A 79 -11.595 7.001 -3.738 1.00 0.00 C ATOM 66 CG ARG A 79 -10.547 7.994 -3.263 1.00 0.00 C ATOM 67 CD ARG A 79 -9.248 7.294 -2.888 1.00 0.00 C ATOM 68 NE ARG A 79 -8.405 7.040 -4.055 1.00 0.00 N ATOM 69 CZ ARG A 79 -7.370 7.798 -4.409 1.00 0.00 C ATOM 70 NH1 ARG A 79 -7.036 8.858 -3.681 1.00 0.00 N ATOM 71 NH2 ARG A 79 -6.670 7.490 -5.487 1.00 0.00 N ATOM 0 HA ARG A 79 -13.420 8.122 -3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.324 6.007 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.577 6.965 -4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.354 8.725 -4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.928 8.543 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.700 7.906 -2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.475 6.350 -2.393 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.624 6.230 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.574 9.094 -2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.242 9.436 -3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.924 6.674 -6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.876 8.068 -5.762 1.00 0.00 H new ATOM 85 N LEU A 80 -14.615 5.754 -2.369 1.00 0.00 N ATOM 86 CA LEU A 80 -15.309 4.480 -2.275 1.00 0.00 C ATOM 87 C LEU A 80 -16.815 4.674 -2.108 1.00 0.00 C ATOM 88 O LEU A 80 -17.310 5.802 -2.063 1.00 0.00 O ATOM 89 CB LEU A 80 -14.762 3.689 -1.087 1.00 0.00 C ATOM 90 CG LEU A 80 -15.306 4.111 0.278 1.00 0.00 C ATOM 91 CD1 LEU A 80 -15.274 2.941 1.239 1.00 0.00 C ATOM 92 CD2 LEU A 80 -14.522 5.290 0.843 1.00 0.00 C ATOM 0 H LEU A 80 -14.742 6.363 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.139 3.932 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.986 2.633 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.676 3.786 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.340 4.430 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.664 3.255 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -15.888 2.130 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.247 2.595 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.932 5.568 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.475 5.009 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.598 6.137 0.162 1.00 0.00 H new ATOM 104 N PHE A 81 -17.527 3.562 -2.002 1.00 0.00 N ATOM 105 CA PHE A 81 -18.958 3.575 -1.734 1.00 0.00 C ATOM 106 C PHE A 81 -19.202 3.154 -0.289 1.00 0.00 C ATOM 107 O PHE A 81 -18.500 2.288 0.231 1.00 0.00 O ATOM 108 CB PHE A 81 -19.690 2.628 -2.695 1.00 0.00 C ATOM 109 CG PHE A 81 -19.734 3.126 -4.112 1.00 0.00 C ATOM 110 CD1 PHE A 81 -18.667 2.915 -4.970 1.00 0.00 C ATOM 111 CD2 PHE A 81 -20.846 3.801 -4.585 1.00 0.00 C ATOM 112 CE1 PHE A 81 -18.705 3.371 -6.272 1.00 0.00 C ATOM 113 CE2 PHE A 81 -20.892 4.257 -5.888 1.00 0.00 C ATOM 114 CZ PHE A 81 -19.820 4.042 -6.733 1.00 0.00 C ATOM 0 H PHE A 81 -17.131 2.627 -2.099 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.344 4.583 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -19.200 1.654 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -20.709 2.479 -2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -17.794 2.387 -4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -21.686 3.973 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -17.864 3.203 -6.929 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -21.766 4.781 -6.246 1.00 0.00 H new ATOM 0 HZ PHE A 81 -19.854 4.398 -7.752 1.00 0.00 H new ATOM 124 N GLY A 82 -20.167 3.784 0.366 1.00 0.00 N ATOM 125 CA GLY A 82 -20.481 3.435 1.744 1.00 0.00 C ATOM 126 C GLY A 82 -19.591 4.149 2.744 1.00 0.00 C ATOM 127 O GLY A 82 -20.064 4.590 3.796 1.00 0.00 O ATOM 0 H GLY A 82 -20.740 4.530 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.523 3.682 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.377 2.358 1.875 1.00 0.00 H new ATOM 131 N ASN A 83 -18.303 4.239 2.409 1.00 0.00 N ATOM 132 CA ASN A 83 -17.305 4.972 3.201 1.00 0.00 C ATOM 133 C ASN A 83 -16.785 4.149 4.379 1.00 0.00 C ATOM 134 O ASN A 83 -16.460 4.691 5.436 1.00 0.00 O ATOM 135 CB ASN A 83 -17.854 6.320 3.696 1.00 0.00 C ATOM 136 CG ASN A 83 -16.882 7.468 3.497 1.00 0.00 C ATOM 137 OD1 ASN A 83 -15.858 7.327 2.831 1.00 0.00 O ATOM 138 ND2 ASN A 83 -17.201 8.618 4.072 1.00 0.00 N ATOM 0 H ASN A 83 -17.916 3.802 1.573 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.466 5.165 2.533 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -18.782 6.543 3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -18.099 6.239 4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -16.588 9.427 3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -18.060 8.695 4.617 1.00 0.00 H new ATOM 145 N SER A 84 -16.690 2.840 4.189 1.00 0.00 N ATOM 146 CA SER A 84 -16.148 1.962 5.216 1.00 0.00 C ATOM 147 C SER A 84 -15.075 1.033 4.643 1.00 0.00 C ATOM 148 O SER A 84 -15.269 -0.178 4.569 1.00 0.00 O ATOM 149 CB SER A 84 -17.270 1.140 5.853 1.00 0.00 C ATOM 150 OG SER A 84 -18.504 1.832 5.801 1.00 0.00 O ATOM 0 H SER A 84 -16.981 2.364 3.335 1.00 0.00 H new ATOM 0 HA SER A 84 -15.682 2.585 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 84 -17.363 0.185 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.018 0.918 6.890 1.00 0.00 H new ATOM 0 HG SER A 84 -19.074 1.433 5.110 1.00 0.00 H new ATOM 156 N GLY A 85 -13.947 1.607 4.231 1.00 0.00 N ATOM 157 CA GLY A 85 -12.836 0.794 3.754 1.00 0.00 C ATOM 158 C GLY A 85 -12.486 1.058 2.301 1.00 0.00 C ATOM 159 O GLY A 85 -13.122 0.520 1.393 1.00 0.00 O ATOM 0 H GLY A 85 -13.781 2.613 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.960 0.987 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.086 -0.260 3.876 1.00 0.00 H new ATOM 163 N ALA A 86 -11.471 1.882 2.076 1.00 0.00 N ATOM 164 CA ALA A 86 -11.037 2.213 0.724 1.00 0.00 C ATOM 165 C ALA A 86 -9.519 2.230 0.632 1.00 0.00 C ATOM 166 O ALA A 86 -8.821 2.405 1.634 1.00 0.00 O ATOM 167 CB ALA A 86 -11.605 3.554 0.284 1.00 0.00 C ATOM 0 H ALA A 86 -10.931 2.335 2.814 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.416 1.441 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.267 3.778 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.694 3.511 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.262 4.335 0.963 1.00 0.00 H new ATOM 173 N CYS A 87 -9.031 2.034 -0.580 1.00 0.00 N ATOM 174 CA CYS A 87 -7.608 2.041 -0.876 1.00 0.00 C ATOM 175 C CYS A 87 -7.026 3.440 -0.766 1.00 0.00 C ATOM 176 O CYS A 87 -7.693 4.433 -1.067 1.00 0.00 O ATOM 177 CB CYS A 87 -7.404 1.540 -2.294 1.00 0.00 C ATOM 178 SG CYS A 87 -5.763 0.843 -2.679 1.00 0.00 S ATOM 0 H CYS A 87 -9.618 1.863 -1.397 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.102 1.399 -0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.156 0.778 -2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.594 2.366 -2.979 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.901 -0.367 -3.133 1.00 0.00 H new ATOM 183 N SER A 88 -5.779 3.505 -0.336 1.00 0.00 N ATOM 184 CA SER A 88 -5.044 4.756 -0.338 1.00 0.00 C ATOM 185 C SER A 88 -4.252 4.882 -1.642 1.00 0.00 C ATOM 186 O SER A 88 -3.431 5.787 -1.802 1.00 0.00 O ATOM 187 CB SER A 88 -4.109 4.829 0.877 1.00 0.00 C ATOM 188 OG SER A 88 -4.596 4.038 1.953 1.00 0.00 O ATOM 0 H SER A 88 -5.254 2.706 0.019 1.00 0.00 H new ATOM 0 HA SER A 88 -5.747 5.586 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.114 4.487 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.010 5.865 1.200 1.00 0.00 H new ATOM 0 HG SER A 88 -4.322 3.106 1.824 1.00 0.00 H new ATOM 194 N ALA A 89 -4.505 3.963 -2.576 1.00 0.00 N ATOM 195 CA ALA A 89 -3.822 3.977 -3.861 1.00 0.00 C ATOM 196 C ALA A 89 -4.813 4.097 -5.020 1.00 0.00 C ATOM 197 O ALA A 89 -4.752 5.059 -5.792 1.00 0.00 O ATOM 198 CB ALA A 89 -2.960 2.737 -4.017 1.00 0.00 C ATOM 0 H ALA A 89 -5.177 3.204 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.177 4.855 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.456 2.763 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.216 2.708 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.588 1.848 -3.959 1.00 0.00 H new ATOM 204 N CYS A 90 -5.734 3.141 -5.145 1.00 0.00 N ATOM 205 CA CYS A 90 -6.696 3.185 -6.239 1.00 0.00 C ATOM 206 C CYS A 90 -7.978 3.892 -5.798 1.00 0.00 C ATOM 207 O CYS A 90 -8.194 5.061 -6.125 1.00 0.00 O ATOM 208 CB CYS A 90 -6.984 1.775 -6.807 1.00 0.00 C ATOM 209 SG CYS A 90 -7.825 0.601 -5.687 1.00 0.00 S ATOM 0 H CYS A 90 -5.832 2.344 -4.516 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.256 3.764 -7.051 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.593 1.886 -7.704 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -6.037 1.332 -7.117 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.100 0.421 -4.623 1.00 0.00 H new ATOM 214 N GLY A 91 -8.815 3.194 -5.052 1.00 0.00 N ATOM 215 CA GLY A 91 -10.022 3.800 -4.534 1.00 0.00 C ATOM 216 C GLY A 91 -11.183 2.835 -4.451 1.00 0.00 C ATOM 217 O GLY A 91 -12.256 3.198 -3.976 1.00 0.00 O ATOM 0 H GLY A 91 -8.681 2.216 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.821 4.204 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.301 4.640 -5.170 1.00 0.00 H new ATOM 221 N GLN A 92 -10.985 1.606 -4.906 1.00 0.00 N ATOM 222 CA GLN A 92 -12.047 0.608 -4.861 1.00 0.00 C ATOM 223 C GLN A 92 -12.429 0.294 -3.416 1.00 0.00 C ATOM 224 O GLN A 92 -11.562 0.021 -2.581 1.00 0.00 O ATOM 225 CB GLN A 92 -11.615 -0.670 -5.585 1.00 0.00 C ATOM 226 CG GLN A 92 -12.556 -1.852 -5.380 1.00 0.00 C ATOM 227 CD GLN A 92 -13.969 -1.571 -5.870 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.172 -1.154 -7.008 1.00 0.00 O ATOM 229 NE2 GLN A 92 -14.953 -1.793 -5.013 1.00 0.00 N ATOM 0 H GLN A 92 -10.107 1.277 -5.308 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.920 1.017 -5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.538 -0.462 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.619 -0.949 -5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.160 -2.721 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.587 -2.106 -4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.745 -2.140 -4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.919 -1.618 -5.289 1.00 0.00 H new ATOM 238 N SER A 93 -13.725 0.372 -3.130 1.00 0.00 N ATOM 239 CA SER A 93 -14.257 -0.055 -1.844 1.00 0.00 C ATOM 240 C SER A 93 -13.872 -1.508 -1.590 1.00 0.00 C ATOM 241 O SER A 93 -14.205 -2.387 -2.385 1.00 0.00 O ATOM 242 CB SER A 93 -15.779 0.101 -1.835 1.00 0.00 C ATOM 243 OG SER A 93 -16.188 1.129 -2.728 1.00 0.00 O ATOM 0 H SER A 93 -14.428 0.729 -3.777 1.00 0.00 H new ATOM 0 HA SER A 93 -13.838 0.566 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.247 -0.841 -2.120 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.119 0.334 -0.826 1.00 0.00 H new ATOM 0 HG SER A 93 -17.110 0.963 -3.017 1.00 0.00 H new ATOM 249 N ILE A 94 -13.155 -1.746 -0.501 1.00 0.00 N ATOM 250 CA ILE A 94 -12.582 -3.057 -0.223 1.00 0.00 C ATOM 251 C ILE A 94 -13.632 -4.055 0.268 1.00 0.00 C ATOM 252 O ILE A 94 -14.212 -3.889 1.344 1.00 0.00 O ATOM 253 CB ILE A 94 -11.438 -2.945 0.814 1.00 0.00 C ATOM 254 CG1 ILE A 94 -10.232 -2.245 0.189 1.00 0.00 C ATOM 255 CG2 ILE A 94 -11.031 -4.314 1.334 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.614 -1.189 1.077 1.00 0.00 C ATOM 0 H ILE A 94 -12.955 -1.043 0.210 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.181 -3.433 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.802 -2.356 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.475 -2.991 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.537 -1.784 -0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.226 -4.203 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.887 -4.791 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.688 -4.931 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.764 -0.736 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.355 -0.421 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.277 -1.647 2.007 1.00 0.00 H new ATOM 268 N PRO A 95 -13.907 -5.090 -0.540 1.00 0.00 N ATOM 269 CA PRO A 95 -14.765 -6.204 -0.153 1.00 0.00 C ATOM 270 C PRO A 95 -14.019 -7.184 0.751 1.00 0.00 C ATOM 271 O PRO A 95 -12.796 -7.128 0.861 1.00 0.00 O ATOM 272 CB PRO A 95 -15.127 -6.880 -1.488 1.00 0.00 C ATOM 273 CG PRO A 95 -14.506 -6.038 -2.560 1.00 0.00 C ATOM 274 CD PRO A 95 -13.403 -5.262 -1.905 1.00 0.00 C ATOM 0 HA PRO A 95 -15.639 -5.875 0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.746 -7.901 -1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.208 -6.938 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.117 -6.660 -3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.243 -5.367 -3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.458 -5.805 -1.924 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.231 -4.305 -2.398 1.00 0.00 H new ATOM 282 N ALA A 96 -14.742 -8.100 1.375 1.00 0.00 N ATOM 283 CA ALA A 96 -14.125 -9.073 2.271 1.00 0.00 C ATOM 284 C ALA A 96 -13.366 -10.142 1.486 1.00 0.00 C ATOM 285 O ALA A 96 -12.737 -11.025 2.068 1.00 0.00 O ATOM 286 CB ALA A 96 -15.185 -9.716 3.152 1.00 0.00 C ATOM 0 H ALA A 96 -15.753 -8.193 1.280 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.408 -8.548 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.715 -10.440 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -15.681 -8.947 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.920 -10.222 2.526 1.00 0.00 H new ATOM 292 N SER A 97 -13.437 -10.054 0.164 1.00 0.00 N ATOM 293 CA SER A 97 -12.767 -11.008 -0.705 1.00 0.00 C ATOM 294 C SER A 97 -11.516 -10.390 -1.335 1.00 0.00 C ATOM 295 O SER A 97 -10.892 -10.981 -2.219 1.00 0.00 O ATOM 296 CB SER A 97 -13.738 -11.481 -1.784 1.00 0.00 C ATOM 297 OG SER A 97 -15.079 -11.165 -1.430 1.00 0.00 O ATOM 0 H SER A 97 -13.955 -9.327 -0.330 1.00 0.00 H new ATOM 0 HA SER A 97 -12.448 -11.864 -0.111 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.488 -11.012 -2.736 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.638 -12.557 -1.923 1.00 0.00 H new ATOM 0 HG SER A 97 -15.685 -11.475 -2.135 1.00 0.00 H new ATOM 303 N GLU A 98 -11.157 -9.198 -0.871 1.00 0.00 N ATOM 304 CA GLU A 98 -9.965 -8.515 -1.345 1.00 0.00 C ATOM 305 C GLU A 98 -9.003 -8.294 -0.191 1.00 0.00 C ATOM 306 O GLU A 98 -9.408 -7.879 0.897 1.00 0.00 O ATOM 307 CB GLU A 98 -10.332 -7.178 -1.987 1.00 0.00 C ATOM 308 CG GLU A 98 -10.649 -7.279 -3.470 1.00 0.00 C ATOM 309 CD GLU A 98 -9.531 -6.755 -4.345 1.00 0.00 C ATOM 310 OE1 GLU A 98 -8.361 -7.139 -4.130 1.00 0.00 O ATOM 311 OE2 GLU A 98 -9.815 -5.963 -5.266 1.00 0.00 O ATOM 0 H GLU A 98 -11.680 -8.684 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.482 -9.138 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.195 -6.760 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.507 -6.479 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.846 -8.320 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.561 -6.721 -3.681 1.00 0.00 H new ATOM 318 N LEU A 99 -7.736 -8.582 -0.422 1.00 0.00 N ATOM 319 CA LEU A 99 -6.728 -8.446 0.613 1.00 0.00 C ATOM 320 C LEU A 99 -5.945 -7.157 0.422 1.00 0.00 C ATOM 321 O LEU A 99 -5.561 -6.804 -0.699 1.00 0.00 O ATOM 322 CB LEU A 99 -5.779 -9.648 0.598 1.00 0.00 C ATOM 323 CG LEU A 99 -6.445 -11.007 0.823 1.00 0.00 C ATOM 324 CD1 LEU A 99 -6.000 -12.003 -0.239 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.126 -11.529 2.218 1.00 0.00 C ATOM 0 H LEU A 99 -7.380 -8.912 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.229 -8.411 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.261 -9.670 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.020 -9.501 1.367 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.525 -10.882 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.484 -12.964 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.279 -11.632 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.918 -12.127 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.607 -12.496 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.047 -11.640 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.496 -10.825 2.963 1.00 0.00 H new ATOM 337 N VAL A 100 -5.709 -6.457 1.516 1.00 0.00 N ATOM 338 CA VAL A 100 -4.991 -5.203 1.474 1.00 0.00 C ATOM 339 C VAL A 100 -3.672 -5.312 2.227 1.00 0.00 C ATOM 340 O VAL A 100 -3.604 -5.888 3.313 1.00 0.00 O ATOM 341 CB VAL A 100 -5.829 -4.046 2.063 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.796 -3.518 1.021 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.581 -4.489 3.308 1.00 0.00 C ATOM 0 H VAL A 100 -6.008 -6.741 2.449 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.791 -4.982 0.425 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.147 -3.246 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.381 -2.703 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.238 -3.152 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.465 -4.319 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.161 -3.653 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.252 -5.310 3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.869 -4.822 4.064 1.00 0.00 H new ATOM 353 N MET A 101 -2.627 -4.766 1.632 1.00 0.00 N ATOM 354 CA MET A 101 -1.305 -4.801 2.221 1.00 0.00 C ATOM 355 C MET A 101 -1.144 -3.658 3.209 1.00 0.00 C ATOM 356 O MET A 101 -1.337 -2.488 2.866 1.00 0.00 O ATOM 357 CB MET A 101 -0.234 -4.717 1.134 1.00 0.00 C ATOM 358 CG MET A 101 0.631 -5.961 1.040 1.00 0.00 C ATOM 359 SD MET A 101 0.479 -6.793 -0.552 1.00 0.00 S ATOM 360 CE MET A 101 2.172 -7.298 -0.824 1.00 0.00 C ATOM 0 H MET A 101 -2.672 -4.289 0.732 1.00 0.00 H new ATOM 0 HA MET A 101 -1.184 -5.745 2.752 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.717 -4.546 0.172 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.403 -3.855 1.329 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.673 -5.688 1.205 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.353 -6.653 1.835 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.190 -8.319 -1.204 1.00 0.00 H new ATOM 0 HE2 MET A 101 2.638 -6.632 -1.550 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.721 -7.251 0.116 1.00 0.00 H new ATOM 370 N ARG A 102 -0.812 -4.009 4.437 1.00 0.00 N ATOM 371 CA ARG A 102 -0.676 -3.028 5.501 1.00 0.00 C ATOM 372 C ARG A 102 0.748 -2.501 5.581 1.00 0.00 C ATOM 373 O ARG A 102 1.703 -3.261 5.753 1.00 0.00 O ATOM 374 CB ARG A 102 -1.091 -3.634 6.847 1.00 0.00 C ATOM 375 CG ARG A 102 -0.327 -4.899 7.211 1.00 0.00 C ATOM 376 CD ARG A 102 -1.171 -5.847 8.039 1.00 0.00 C ATOM 377 NE ARG A 102 -0.387 -6.985 8.519 1.00 0.00 N ATOM 378 CZ ARG A 102 0.133 -7.073 9.747 1.00 0.00 C ATOM 379 NH1 ARG A 102 -0.035 -6.079 10.615 1.00 0.00 N ATOM 380 NH2 ARG A 102 0.828 -8.151 10.097 1.00 0.00 N ATOM 0 H ARG A 102 -0.630 -4.971 4.725 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.337 -2.192 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.941 -2.892 7.631 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.157 -3.859 6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.002 -5.402 6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.572 -4.633 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.594 -5.311 8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.008 -6.207 7.441 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.227 -7.760 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.561 -5.248 10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.362 -6.147 11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.964 -8.909 9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.225 -8.220 11.034 1.00 0.00 H new ATOM 394 N ALA A 103 0.888 -1.198 5.434 1.00 0.00 N ATOM 395 CA ALA A 103 2.183 -0.557 5.587 1.00 0.00 C ATOM 396 C ALA A 103 2.242 0.182 6.916 1.00 0.00 C ATOM 397 O ALA A 103 3.309 0.349 7.505 1.00 0.00 O ATOM 398 CB ALA A 103 2.450 0.392 4.430 1.00 0.00 C ATOM 0 H ALA A 103 0.123 -0.562 5.209 1.00 0.00 H new ATOM 0 HA ALA A 103 2.958 -1.323 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.424 0.862 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.440 -0.165 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.677 1.160 4.404 1.00 0.00 H new ATOM 404 N GLN A 104 1.068 0.598 7.383 1.00 0.00 N ATOM 405 CA GLN A 104 0.926 1.348 8.624 1.00 0.00 C ATOM 406 C GLN A 104 -0.553 1.643 8.854 1.00 0.00 C ATOM 407 O GLN A 104 -1.382 0.738 8.786 1.00 0.00 O ATOM 408 CB GLN A 104 1.726 2.647 8.551 1.00 0.00 C ATOM 409 CG GLN A 104 2.206 3.148 9.899 1.00 0.00 C ATOM 410 CD GLN A 104 2.107 4.653 10.005 1.00 0.00 C ATOM 411 OE1 GLN A 104 1.011 5.212 10.024 1.00 0.00 O ATOM 412 NE2 GLN A 104 3.249 5.318 10.060 1.00 0.00 N ATOM 0 H GLN A 104 0.183 0.422 6.907 1.00 0.00 H new ATOM 0 HA GLN A 104 1.313 0.760 9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.589 2.495 7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.109 3.417 8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.614 2.688 10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.240 2.840 10.055 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.135 4.813 10.041 1.00 0.00 H new ATOM 0 HE22 GLN A 104 3.244 6.336 10.121 1.00 0.00 H new ATOM 421 N GLY A 105 -0.886 2.907 9.107 1.00 0.00 N ATOM 422 CA GLY A 105 -2.279 3.298 9.200 1.00 0.00 C ATOM 423 C GLY A 105 -2.901 3.444 7.827 1.00 0.00 C ATOM 424 O GLY A 105 -4.115 3.627 7.691 1.00 0.00 O ATOM 0 H GLY A 105 -0.217 3.664 9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.831 2.554 9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.359 4.241 9.740 1.00 0.00 H new ATOM 428 N ASN A 106 -2.058 3.367 6.806 1.00 0.00 N ATOM 429 CA ASN A 106 -2.503 3.431 5.425 1.00 0.00 C ATOM 430 C ASN A 106 -2.504 2.037 4.823 1.00 0.00 C ATOM 431 O ASN A 106 -1.614 1.231 5.110 1.00 0.00 O ATOM 432 CB ASN A 106 -1.591 4.348 4.606 1.00 0.00 C ATOM 433 CG ASN A 106 -2.056 5.792 4.615 1.00 0.00 C ATOM 434 OD1 ASN A 106 -3.251 6.074 4.535 1.00 0.00 O ATOM 435 ND2 ASN A 106 -1.111 6.716 4.714 1.00 0.00 N ATOM 0 H ASN A 106 -1.050 3.259 6.914 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.514 3.838 5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.577 4.294 5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.551 3.990 3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -1.363 7.704 4.726 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.131 6.439 4.778 1.00 0.00 H new ATOM 442 N VAL A 107 -3.495 1.749 3.996 1.00 0.00 N ATOM 443 CA VAL A 107 -3.623 0.426 3.401 1.00 0.00 C ATOM 444 C VAL A 107 -3.726 0.520 1.886 1.00 0.00 C ATOM 445 O VAL A 107 -4.353 1.434 1.348 1.00 0.00 O ATOM 446 CB VAL A 107 -4.848 -0.341 3.944 1.00 0.00 C ATOM 447 CG1 VAL A 107 -4.483 -1.092 5.217 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.018 0.602 4.187 1.00 0.00 C ATOM 0 H VAL A 107 -4.221 2.410 3.721 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.723 -0.125 3.675 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.157 -1.068 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.357 -1.627 5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.685 -1.803 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.145 -0.384 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.868 0.036 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.729 1.360 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.296 1.086 3.251 1.00 0.00 H new ATOM 458 N TYR A 108 -3.089 -0.424 1.212 1.00 0.00 N ATOM 459 CA TYR A 108 -3.128 -0.505 -0.242 1.00 0.00 C ATOM 460 C TYR A 108 -3.507 -1.918 -0.640 1.00 0.00 C ATOM 461 O TYR A 108 -3.588 -2.796 0.209 1.00 0.00 O ATOM 462 CB TYR A 108 -1.763 -0.144 -0.842 1.00 0.00 C ATOM 463 CG TYR A 108 -1.052 0.987 -0.129 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.324 2.312 -0.447 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.102 0.729 0.856 1.00 0.00 C ATOM 466 CE1 TYR A 108 -0.675 3.347 0.198 1.00 0.00 C ATOM 467 CE2 TYR A 108 0.549 1.762 1.503 1.00 0.00 C ATOM 468 CZ TYR A 108 0.261 3.064 1.171 1.00 0.00 C ATOM 469 OH TYR A 108 0.911 4.091 1.812 1.00 0.00 O ATOM 0 H TYR A 108 -2.531 -1.155 1.655 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.864 0.203 -0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.125 -1.028 -0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.899 0.130 -1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.054 2.536 -1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.129 -0.293 1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.899 4.372 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 108 1.282 1.547 2.267 1.00 0.00 H new ATOM 0 HH TYR A 108 0.326 4.876 1.849 1.00 0.00 H new ATOM 479 N HIS A 109 -3.735 -2.147 -1.914 1.00 0.00 N ATOM 480 CA HIS A 109 -4.042 -3.489 -2.388 1.00 0.00 C ATOM 481 C HIS A 109 -2.756 -4.255 -2.649 1.00 0.00 C ATOM 482 O HIS A 109 -1.672 -3.679 -2.623 1.00 0.00 O ATOM 483 CB HIS A 109 -4.868 -3.431 -3.668 1.00 0.00 C ATOM 484 CG HIS A 109 -6.342 -3.286 -3.442 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.007 -2.123 -3.734 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.230 -4.190 -2.968 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.276 -2.335 -3.445 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.466 -3.584 -2.975 1.00 0.00 N ATOM 0 H HIS A 109 -3.715 -1.431 -2.640 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.620 -4.000 -1.618 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.521 -2.594 -4.274 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.688 -4.338 -4.245 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.011 -5.197 -2.645 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -9.061 -1.603 -3.569 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.351 -3.998 -2.682 1.00 0.00 H new ATOM 496 N LEU A 110 -2.872 -5.553 -2.904 1.00 0.00 N ATOM 497 CA LEU A 110 -1.715 -6.350 -3.304 1.00 0.00 C ATOM 498 C LEU A 110 -1.277 -5.944 -4.709 1.00 0.00 C ATOM 499 O LEU A 110 -0.127 -6.141 -5.103 1.00 0.00 O ATOM 500 CB LEU A 110 -2.036 -7.848 -3.262 1.00 0.00 C ATOM 501 CG LEU A 110 -3.430 -8.237 -3.762 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.342 -8.920 -5.116 1.00 0.00 C ATOM 503 CD2 LEU A 110 -4.120 -9.143 -2.755 1.00 0.00 C ATOM 0 H LEU A 110 -3.747 -6.074 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.904 -6.162 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.294 -8.378 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.927 -8.197 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.021 -7.328 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.343 -9.189 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.886 -8.242 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.734 -9.821 -5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.110 -9.411 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.528 -10.048 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.217 -8.621 -1.803 1.00 0.00 H new ATOM 515 N LYS A 111 -2.218 -5.383 -5.459 1.00 0.00 N ATOM 516 CA LYS A 111 -1.944 -4.871 -6.795 1.00 0.00 C ATOM 517 C LYS A 111 -1.530 -3.402 -6.728 1.00 0.00 C ATOM 518 O LYS A 111 -0.915 -2.879 -7.657 1.00 0.00 O ATOM 519 CB LYS A 111 -3.179 -5.029 -7.701 1.00 0.00 C ATOM 520 CG LYS A 111 -4.501 -5.087 -6.950 1.00 0.00 C ATOM 521 CD LYS A 111 -5.312 -6.313 -7.343 1.00 0.00 C ATOM 522 CE LYS A 111 -6.808 -6.051 -7.243 1.00 0.00 C ATOM 523 NZ LYS A 111 -7.550 -7.210 -6.679 1.00 0.00 N ATOM 0 H LYS A 111 -3.187 -5.271 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.124 -5.450 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.209 -4.196 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.069 -5.939 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.311 -5.104 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.078 -4.186 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.061 -6.605 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.045 -7.149 -6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.980 -5.174 -6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.200 -5.819 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.558 -7.128 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.170 -8.092 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.442 -7.222 -5.645 1.00 0.00 H new ATOM 537 N CYS A 112 -1.853 -2.754 -5.610 1.00 0.00 N ATOM 538 CA CYS A 112 -1.599 -1.329 -5.439 1.00 0.00 C ATOM 539 C CYS A 112 -0.342 -1.091 -4.595 1.00 0.00 C ATOM 540 O CYS A 112 -0.021 0.042 -4.232 1.00 0.00 O ATOM 541 CB CYS A 112 -2.836 -0.670 -4.809 1.00 0.00 C ATOM 542 SG CYS A 112 -4.370 -1.015 -5.736 1.00 0.00 S ATOM 0 H CYS A 112 -2.294 -3.199 -4.805 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.415 -0.875 -6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.949 -1.024 -3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.682 0.408 -4.759 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.341 -1.237 -4.901 1.00 0.00 H new ATOM 547 N PHE A 113 0.376 -2.168 -4.298 1.00 0.00 N ATOM 548 CA PHE A 113 1.617 -2.080 -3.543 1.00 0.00 C ATOM 549 C PHE A 113 2.799 -1.889 -4.489 1.00 0.00 C ATOM 550 O PHE A 113 3.592 -2.809 -4.720 1.00 0.00 O ATOM 551 CB PHE A 113 1.812 -3.333 -2.676 1.00 0.00 C ATOM 552 CG PHE A 113 2.370 -3.045 -1.305 1.00 0.00 C ATOM 553 CD1 PHE A 113 2.206 -1.798 -0.723 1.00 0.00 C ATOM 554 CD2 PHE A 113 3.066 -4.018 -0.604 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.723 -1.529 0.530 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.587 -3.755 0.649 1.00 0.00 C ATOM 557 CZ PHE A 113 3.413 -2.506 1.217 1.00 0.00 C ATOM 0 H PHE A 113 0.117 -3.116 -4.571 1.00 0.00 H new ATOM 0 HA PHE A 113 1.561 -1.215 -2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.854 -3.841 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.481 -4.020 -3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.668 -1.027 -1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.203 -4.995 -1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.587 -0.553 0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.128 -4.522 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.817 -2.296 2.197 1.00 0.00 H new ATOM 567 N THR A 114 2.898 -0.688 -5.042 1.00 0.00 N ATOM 568 CA THR A 114 3.965 -0.349 -5.972 1.00 0.00 C ATOM 569 C THR A 114 4.575 1.002 -5.603 1.00 0.00 C ATOM 570 O THR A 114 3.917 1.823 -4.958 1.00 0.00 O ATOM 571 CB THR A 114 3.441 -0.289 -7.427 1.00 0.00 C ATOM 572 OG1 THR A 114 2.216 0.453 -7.486 1.00 0.00 O ATOM 573 CG2 THR A 114 3.197 -1.683 -7.986 1.00 0.00 C ATOM 0 H THR A 114 2.245 0.074 -4.860 1.00 0.00 H new ATOM 0 HA THR A 114 4.724 -1.128 -5.905 1.00 0.00 H new ATOM 0 HB THR A 114 4.205 0.205 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.897 0.484 -8.412 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.830 -1.605 -9.009 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.130 -2.247 -7.977 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.457 -2.197 -7.373 1.00 0.00 H new ATOM 581 N CYS A 115 5.825 1.231 -5.999 1.00 0.00 N ATOM 582 CA CYS A 115 6.485 2.498 -5.719 1.00 0.00 C ATOM 583 C CYS A 115 5.926 3.607 -6.603 1.00 0.00 C ATOM 584 O CYS A 115 5.426 3.354 -7.699 1.00 0.00 O ATOM 585 CB CYS A 115 7.997 2.375 -5.905 1.00 0.00 C ATOM 586 SG CYS A 115 8.531 1.883 -7.573 1.00 0.00 S ATOM 0 H CYS A 115 6.396 0.559 -6.511 1.00 0.00 H new ATOM 0 HA CYS A 115 6.288 2.758 -4.679 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.457 3.333 -5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.378 1.647 -5.189 1.00 0.00 H new ATOM 0 HG CYS A 115 9.752 1.439 -7.524 1.00 0.00 H new ATOM 591 N SER A 116 6.009 4.835 -6.123 1.00 0.00 N ATOM 592 CA SER A 116 5.435 5.965 -6.833 1.00 0.00 C ATOM 593 C SER A 116 6.386 6.514 -7.901 1.00 0.00 C ATOM 594 O SER A 116 6.070 7.499 -8.568 1.00 0.00 O ATOM 595 CB SER A 116 5.062 7.066 -5.838 1.00 0.00 C ATOM 596 OG SER A 116 4.753 6.515 -4.567 1.00 0.00 O ATOM 0 H SER A 116 6.468 5.076 -5.245 1.00 0.00 H new ATOM 0 HA SER A 116 4.539 5.617 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.888 7.771 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.206 7.627 -6.214 1.00 0.00 H new ATOM 0 HG SER A 116 4.519 7.236 -3.946 1.00 0.00 H new ATOM 602 N THR A 117 7.545 5.888 -8.068 1.00 0.00 N ATOM 603 CA THR A 117 8.516 6.360 -9.049 1.00 0.00 C ATOM 604 C THR A 117 8.630 5.420 -10.250 1.00 0.00 C ATOM 605 O THR A 117 8.522 5.855 -11.397 1.00 0.00 O ATOM 606 CB THR A 117 9.903 6.530 -8.408 1.00 0.00 C ATOM 607 OG1 THR A 117 9.782 6.515 -6.981 1.00 0.00 O ATOM 608 CG2 THR A 117 10.558 7.829 -8.853 1.00 0.00 C ATOM 0 H THR A 117 7.834 5.062 -7.544 1.00 0.00 H new ATOM 0 HA THR A 117 8.153 7.325 -9.404 1.00 0.00 H new ATOM 0 HB THR A 117 10.532 5.701 -8.733 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.670 6.419 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 117 11.537 7.922 -8.384 1.00 0.00 H new ATOM 0 HG22 THR A 117 10.674 7.825 -9.937 1.00 0.00 H new ATOM 0 HG23 THR A 117 9.933 8.672 -8.558 1.00 0.00 H new ATOM 616 N CYS A 118 8.838 4.134 -9.996 1.00 0.00 N ATOM 617 CA CYS A 118 9.004 3.175 -11.083 1.00 0.00 C ATOM 618 C CYS A 118 7.826 2.214 -11.145 1.00 0.00 C ATOM 619 O CYS A 118 7.677 1.454 -12.108 1.00 0.00 O ATOM 620 CB CYS A 118 10.307 2.390 -10.915 1.00 0.00 C ATOM 621 SG CYS A 118 11.449 3.081 -9.677 1.00 0.00 S ATOM 0 H CYS A 118 8.895 3.734 -9.060 1.00 0.00 H new ATOM 0 HA CYS A 118 9.046 3.734 -12.018 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.065 1.364 -10.636 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.817 2.347 -11.877 1.00 0.00 H new ATOM 0 HG CYS A 118 11.649 2.207 -8.736 1.00 0.00 H new ATOM 626 N ARG A 119 6.997 2.264 -10.110 1.00 0.00 N ATOM 627 CA ARG A 119 5.859 1.379 -9.970 1.00 0.00 C ATOM 628 C ARG A 119 6.294 -0.079 -9.958 1.00 0.00 C ATOM 629 O ARG A 119 5.601 -0.957 -10.484 1.00 0.00 O ATOM 630 CB ARG A 119 4.849 1.633 -11.077 1.00 0.00 C ATOM 631 CG ARG A 119 3.484 2.029 -10.555 1.00 0.00 C ATOM 632 CD ARG A 119 2.393 1.287 -11.292 1.00 0.00 C ATOM 633 NE ARG A 119 2.648 1.252 -12.734 1.00 0.00 N ATOM 634 CZ ARG A 119 1.782 1.671 -13.657 1.00 0.00 C ATOM 635 NH1 ARG A 119 0.593 2.143 -13.298 1.00 0.00 N ATOM 636 NH2 ARG A 119 2.113 1.618 -14.944 1.00 0.00 N ATOM 0 H ARG A 119 7.100 2.926 -9.341 1.00 0.00 H new ATOM 0 HA ARG A 119 5.382 1.590 -9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.225 2.421 -11.730 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.752 0.734 -11.686 1.00 0.00 H new ATOM 0 HG2 ARG A 119 3.421 1.813 -9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.342 3.103 -10.672 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.321 0.269 -10.909 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.433 1.767 -11.103 1.00 0.00 H new ATOM 0 HE ARG A 119 3.545 0.884 -13.052 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.338 2.186 -12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.065 2.462 -14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.026 1.258 -15.221 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.454 1.937 -15.654 1.00 0.00 H new ATOM 650 N ASN A 120 7.449 -0.332 -9.362 1.00 0.00 N ATOM 651 CA ASN A 120 7.917 -1.693 -9.184 1.00 0.00 C ATOM 652 C ASN A 120 7.102 -2.349 -8.084 1.00 0.00 C ATOM 653 O ASN A 120 7.060 -1.851 -6.957 1.00 0.00 O ATOM 654 CB ASN A 120 9.409 -1.718 -8.831 1.00 0.00 C ATOM 655 CG ASN A 120 9.872 -3.089 -8.361 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.175 -3.969 -9.169 1.00 0.00 O ATOM 657 ND2 ASN A 120 9.933 -3.282 -7.050 1.00 0.00 N ATOM 0 H ASN A 120 8.075 0.385 -8.996 1.00 0.00 H new ATOM 0 HA ASN A 120 7.790 -2.242 -10.117 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.991 -1.421 -9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.607 -0.984 -8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 120 10.239 -4.182 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.674 -2.530 -6.411 1.00 0.00 H new ATOM 664 N ARG A 121 6.429 -3.437 -8.416 1.00 0.00 N ATOM 665 CA ARG A 121 5.593 -4.129 -7.447 1.00 0.00 C ATOM 666 C ARG A 121 6.443 -4.747 -6.345 1.00 0.00 C ATOM 667 O ARG A 121 7.368 -5.516 -6.613 1.00 0.00 O ATOM 668 CB ARG A 121 4.752 -5.212 -8.122 1.00 0.00 C ATOM 669 CG ARG A 121 3.387 -5.399 -7.478 1.00 0.00 C ATOM 670 CD ARG A 121 2.708 -6.666 -7.970 1.00 0.00 C ATOM 671 NE ARG A 121 2.115 -6.494 -9.293 1.00 0.00 N ATOM 672 CZ ARG A 121 0.819 -6.661 -9.564 1.00 0.00 C ATOM 673 NH1 ARG A 121 -0.034 -6.996 -8.601 1.00 0.00 N ATOM 674 NH2 ARG A 121 0.378 -6.488 -10.799 1.00 0.00 N ATOM 0 H ARG A 121 6.444 -3.860 -9.344 1.00 0.00 H new ATOM 0 HA ARG A 121 4.922 -3.393 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.619 -4.957 -9.173 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.294 -6.157 -8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.498 -5.441 -6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.757 -4.538 -7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.435 -7.477 -8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.933 -6.960 -7.262 1.00 0.00 H new ATOM 0 HE ARG A 121 2.732 -6.229 -10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.300 -7.127 -7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.023 -7.122 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.028 -6.228 -11.541 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.612 -6.615 -11.010 1.00 0.00 H new ATOM 688 N LEU A 122 6.128 -4.403 -5.110 1.00 0.00 N ATOM 689 CA LEU A 122 6.857 -4.916 -3.963 1.00 0.00 C ATOM 690 C LEU A 122 6.436 -6.351 -3.673 1.00 0.00 C ATOM 691 O LEU A 122 5.354 -6.782 -4.081 1.00 0.00 O ATOM 692 CB LEU A 122 6.611 -4.021 -2.751 1.00 0.00 C ATOM 693 CG LEU A 122 6.452 -2.535 -3.091 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.686 -1.811 -2.000 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.806 -1.877 -3.328 1.00 0.00 C ATOM 0 H LEU A 122 5.367 -3.766 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 122 7.924 -4.913 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.713 -4.363 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.441 -4.136 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 122 5.879 -2.464 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.586 -0.758 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.696 -2.255 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.225 -1.899 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.662 -0.823 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.416 -1.965 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.311 -2.372 -4.158 1.00 0.00 H new ATOM 707 N VAL A 123 7.280 -7.091 -2.966 1.00 0.00 N ATOM 708 CA VAL A 123 7.052 -8.511 -2.774 1.00 0.00 C ATOM 709 C VAL A 123 7.080 -8.857 -1.295 1.00 0.00 C ATOM 710 O VAL A 123 7.981 -8.427 -0.574 1.00 0.00 O ATOM 711 CB VAL A 123 8.118 -9.347 -3.527 1.00 0.00 C ATOM 712 CG1 VAL A 123 8.014 -10.825 -3.177 1.00 0.00 C ATOM 713 CG2 VAL A 123 7.998 -9.148 -5.034 1.00 0.00 C ATOM 0 H VAL A 123 8.123 -6.731 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 123 6.069 -8.752 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 123 9.098 -8.994 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.776 -11.382 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.165 -10.957 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.027 -11.196 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.756 -9.744 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 123 7.008 -9.462 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 123 8.144 -8.095 -5.275 1.00 0.00 H new ATOM 723 N PRO A 124 6.081 -9.619 -0.817 1.00 0.00 N ATOM 724 CA PRO A 124 6.045 -10.099 0.562 1.00 0.00 C ATOM 725 C PRO A 124 7.270 -10.944 0.880 1.00 0.00 C ATOM 726 O PRO A 124 7.434 -12.046 0.352 1.00 0.00 O ATOM 727 CB PRO A 124 4.782 -10.962 0.620 1.00 0.00 C ATOM 728 CG PRO A 124 3.949 -10.515 -0.529 1.00 0.00 C ATOM 729 CD PRO A 124 4.912 -10.069 -1.590 1.00 0.00 C ATOM 0 HA PRO A 124 6.040 -9.282 1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 124 5.025 -12.022 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.255 -10.826 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.317 -11.326 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.286 -9.701 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.167 -10.882 -2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.497 -9.265 -2.198 1.00 0.00 H new ATOM 737 N GLY A 125 8.129 -10.419 1.733 1.00 0.00 N ATOM 738 CA GLY A 125 9.353 -11.109 2.060 1.00 0.00 C ATOM 739 C GLY A 125 10.502 -10.661 1.183 1.00 0.00 C ATOM 740 O GLY A 125 11.523 -11.344 1.085 1.00 0.00 O ATOM 0 H GLY A 125 8.000 -9.525 2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.603 -10.930 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.206 -12.183 1.946 1.00 0.00 H new ATOM 744 N ASP A 126 10.336 -9.516 0.531 1.00 0.00 N ATOM 745 CA ASP A 126 11.401 -8.951 -0.287 1.00 0.00 C ATOM 746 C ASP A 126 11.573 -7.462 -0.009 1.00 0.00 C ATOM 747 O ASP A 126 10.907 -6.901 0.866 1.00 0.00 O ATOM 748 CB ASP A 126 11.142 -9.183 -1.776 1.00 0.00 C ATOM 749 CG ASP A 126 12.414 -9.526 -2.528 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.447 -8.866 -2.288 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.393 -10.460 -3.353 1.00 0.00 O ATOM 0 H ASP A 126 9.479 -8.964 0.553 1.00 0.00 H new ATOM 0 HA ASP A 126 12.324 -9.464 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.421 -9.991 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.695 -8.289 -2.210 1.00 0.00 H new ATOM 756 N ARG A 127 12.466 -6.835 -0.761 1.00 0.00 N ATOM 757 CA ARG A 127 12.858 -5.455 -0.517 1.00 0.00 C ATOM 758 C ARG A 127 11.792 -4.457 -0.969 1.00 0.00 C ATOM 759 O ARG A 127 11.328 -4.486 -2.108 1.00 0.00 O ATOM 760 CB ARG A 127 14.174 -5.146 -1.231 1.00 0.00 C ATOM 761 CG ARG A 127 15.328 -6.037 -0.801 1.00 0.00 C ATOM 762 CD ARG A 127 16.153 -6.506 -1.990 1.00 0.00 C ATOM 763 NE ARG A 127 17.336 -7.255 -1.569 1.00 0.00 N ATOM 764 CZ ARG A 127 18.500 -7.263 -2.223 1.00 0.00 C ATOM 765 NH1 ARG A 127 18.641 -6.594 -3.359 1.00 0.00 N ATOM 766 NH2 ARG A 127 19.523 -7.953 -1.739 1.00 0.00 N ATOM 0 H ARG A 127 12.938 -7.267 -1.555 1.00 0.00 H new ATOM 0 HA ARG A 127 12.981 -5.347 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.027 -5.251 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.442 -4.106 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.968 -5.493 -0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.939 -6.902 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.537 -7.132 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.460 -5.644 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 127 17.267 -7.810 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.856 -6.067 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 127 19.535 -6.607 -3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 127 19.420 -8.476 -0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 127 20.414 -7.961 -2.236 1.00 0.00 H new ATOM 780 N PHE A 128 11.413 -3.580 -0.054 1.00 0.00 N ATOM 781 CA PHE A 128 10.529 -2.463 -0.350 1.00 0.00 C ATOM 782 C PHE A 128 10.951 -1.276 0.520 1.00 0.00 C ATOM 783 O PHE A 128 11.737 -1.448 1.451 1.00 0.00 O ATOM 784 CB PHE A 128 9.060 -2.887 -0.127 1.00 0.00 C ATOM 785 CG PHE A 128 8.301 -2.144 0.946 1.00 0.00 C ATOM 786 CD1 PHE A 128 7.600 -0.990 0.643 1.00 0.00 C ATOM 787 CD2 PHE A 128 8.262 -2.621 2.247 1.00 0.00 C ATOM 788 CE1 PHE A 128 6.877 -0.325 1.612 1.00 0.00 C ATOM 789 CE2 PHE A 128 7.544 -1.957 3.224 1.00 0.00 C ATOM 790 CZ PHE A 128 6.849 -0.810 2.905 1.00 0.00 C ATOM 0 H PHE A 128 11.711 -3.623 0.921 1.00 0.00 H new ATOM 0 HA PHE A 128 10.606 -2.159 -1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.524 -2.769 -1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.045 -3.949 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 128 7.619 -0.605 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 128 8.799 -3.523 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 128 6.334 0.574 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.528 -2.336 4.235 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.283 -0.291 3.665 1.00 0.00 H new ATOM 800 N HIS A 129 10.480 -0.075 0.219 1.00 0.00 N ATOM 801 CA HIS A 129 10.883 1.090 0.992 1.00 0.00 C ATOM 802 C HIS A 129 9.685 1.929 1.418 1.00 0.00 C ATOM 803 O HIS A 129 8.830 2.280 0.603 1.00 0.00 O ATOM 804 CB HIS A 129 11.871 1.949 0.200 1.00 0.00 C ATOM 805 CG HIS A 129 13.262 1.880 0.737 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.670 2.675 1.777 1.00 0.00 N ATOM 807 CD2 HIS A 129 14.291 1.096 0.347 1.00 0.00 C ATOM 808 CE1 HIS A 129 14.930 2.353 2.002 1.00 0.00 C ATOM 809 NE2 HIS A 129 15.354 1.396 1.163 1.00 0.00 N ATOM 0 H HIS A 129 9.829 0.117 -0.542 1.00 0.00 H new ATOM 0 HA HIS A 129 11.373 0.725 1.894 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.872 1.626 -0.841 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.534 2.985 0.211 1.00 0.00 H new ATOM 0 HD1 HIS A 129 13.115 3.371 2.274 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.280 0.371 -0.454 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.544 2.804 2.767 1.00 0.00 H new ATOM 817 N TYR A 130 9.623 2.226 2.707 1.00 0.00 N ATOM 818 CA TYR A 130 8.615 3.120 3.244 1.00 0.00 C ATOM 819 C TYR A 130 9.303 4.233 4.019 1.00 0.00 C ATOM 820 O TYR A 130 9.711 4.044 5.164 1.00 0.00 O ATOM 821 CB TYR A 130 7.650 2.358 4.161 1.00 0.00 C ATOM 822 CG TYR A 130 6.229 2.891 4.164 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.537 3.093 2.976 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.574 3.178 5.360 1.00 0.00 C ATOM 825 CE1 TYR A 130 4.240 3.569 2.976 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.277 3.652 5.366 1.00 0.00 C ATOM 827 CZ TYR A 130 3.616 3.847 4.173 1.00 0.00 C ATOM 828 OH TYR A 130 2.326 4.319 4.176 1.00 0.00 O ATOM 0 H TYR A 130 10.268 1.855 3.405 1.00 0.00 H new ATOM 0 HA TYR A 130 8.038 3.545 2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.631 1.311 3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 130 8.037 2.387 5.179 1.00 0.00 H new ATOM 0 HD1 TYR A 130 6.022 2.874 2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 130 6.089 3.027 6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.718 3.722 2.043 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.783 3.869 6.302 1.00 0.00 H new ATOM 0 HH TYR A 130 1.923 4.176 3.294 1.00 0.00 H new ATOM 838 N ILE A 131 9.419 5.391 3.402 1.00 0.00 N ATOM 839 CA ILE A 131 10.109 6.508 4.030 1.00 0.00 C ATOM 840 C ILE A 131 9.114 7.596 4.405 1.00 0.00 C ATOM 841 O ILE A 131 8.634 8.325 3.540 1.00 0.00 O ATOM 842 CB ILE A 131 11.202 7.088 3.106 1.00 0.00 C ATOM 843 CG1 ILE A 131 12.221 6.006 2.745 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.897 8.269 3.772 1.00 0.00 C ATOM 845 CD1 ILE A 131 13.058 6.342 1.532 1.00 0.00 C ATOM 0 H ILE A 131 9.048 5.587 2.472 1.00 0.00 H new ATOM 0 HA ILE A 131 10.593 6.136 4.933 1.00 0.00 H new ATOM 0 HB ILE A 131 10.727 7.441 2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.881 5.842 3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.694 5.069 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.664 8.663 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.166 9.048 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 131 12.360 7.941 4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 131 13.758 5.529 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.408 6.477 0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.613 7.262 1.716 1.00 0.00 H new ATOM 857 N ASN A 132 8.798 7.676 5.700 1.00 0.00 N ATOM 858 CA ASN A 132 7.833 8.649 6.228 1.00 0.00 C ATOM 859 C ASN A 132 6.501 8.564 5.489 1.00 0.00 C ATOM 860 O ASN A 132 5.859 9.577 5.212 1.00 0.00 O ATOM 861 CB ASN A 132 8.386 10.075 6.157 1.00 0.00 C ATOM 862 CG ASN A 132 7.898 10.946 7.304 1.00 0.00 C ATOM 863 OD1 ASN A 132 8.451 10.913 8.404 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.853 11.720 7.055 1.00 0.00 N ATOM 0 H ASN A 132 9.203 7.069 6.413 1.00 0.00 H new ATOM 0 HA ASN A 132 7.662 8.398 7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.475 10.040 6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.093 10.528 5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.476 12.320 7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.425 11.717 6.129 1.00 0.00 H new ATOM 871 N GLY A 133 6.093 7.342 5.170 1.00 0.00 N ATOM 872 CA GLY A 133 4.818 7.137 4.509 1.00 0.00 C ATOM 873 C GLY A 133 4.896 7.272 2.999 1.00 0.00 C ATOM 874 O GLY A 133 3.881 7.503 2.345 1.00 0.00 O ATOM 0 H GLY A 133 6.622 6.490 5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 133 4.442 6.145 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 133 4.097 7.858 4.895 1.00 0.00 H new ATOM 878 N SER A 134 6.087 7.115 2.437 1.00 0.00 N ATOM 879 CA SER A 134 6.254 7.195 0.993 1.00 0.00 C ATOM 880 C SER A 134 6.663 5.835 0.446 1.00 0.00 C ATOM 881 O SER A 134 7.538 5.176 1.007 1.00 0.00 O ATOM 882 CB SER A 134 7.292 8.257 0.616 1.00 0.00 C ATOM 883 OG SER A 134 7.280 9.348 1.527 1.00 0.00 O ATOM 0 H SER A 134 6.946 6.933 2.955 1.00 0.00 H new ATOM 0 HA SER A 134 5.302 7.488 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.285 7.807 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.091 8.621 -0.391 1.00 0.00 H new ATOM 0 HG SER A 134 8.039 9.269 2.142 1.00 0.00 H new ATOM 889 N LEU A 135 6.020 5.417 -0.637 1.00 0.00 N ATOM 890 CA LEU A 135 6.258 4.102 -1.216 1.00 0.00 C ATOM 891 C LEU A 135 7.394 4.143 -2.229 1.00 0.00 C ATOM 892 O LEU A 135 7.294 4.802 -3.269 1.00 0.00 O ATOM 893 CB LEU A 135 4.986 3.584 -1.891 1.00 0.00 C ATOM 894 CG LEU A 135 4.000 2.869 -0.967 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.791 2.380 -1.748 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.679 1.708 -0.260 1.00 0.00 C ATOM 0 H LEU A 135 5.325 5.974 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 135 6.541 3.428 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.475 4.425 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.271 2.900 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 135 3.659 3.581 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.102 1.874 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.288 3.230 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.115 1.685 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.962 1.211 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.049 0.998 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.513 2.081 0.334 1.00 0.00 H new ATOM 908 N PHE A 136 8.472 3.444 -1.914 1.00 0.00 N ATOM 909 CA PHE A 136 9.609 3.324 -2.815 1.00 0.00 C ATOM 910 C PHE A 136 10.008 1.862 -2.939 1.00 0.00 C ATOM 911 O PHE A 136 9.552 1.020 -2.164 1.00 0.00 O ATOM 912 CB PHE A 136 10.796 4.145 -2.303 1.00 0.00 C ATOM 913 CG PHE A 136 10.524 5.623 -2.244 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.284 6.342 -3.404 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.507 6.290 -1.030 1.00 0.00 C ATOM 916 CE1 PHE A 136 10.031 7.699 -3.353 1.00 0.00 C ATOM 917 CE2 PHE A 136 10.254 7.648 -0.974 1.00 0.00 C ATOM 918 CZ PHE A 136 10.017 8.354 -2.137 1.00 0.00 C ATOM 0 H PHE A 136 8.585 2.946 -1.031 1.00 0.00 H new ATOM 0 HA PHE A 136 9.321 3.709 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.068 3.794 -1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.656 3.968 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.295 5.836 -4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.693 5.743 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.844 8.248 -4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 136 10.242 8.156 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.821 9.415 -2.096 1.00 0.00 H new ATOM 928 N CYS A 137 10.864 1.558 -3.901 1.00 0.00 N ATOM 929 CA CYS A 137 11.304 0.193 -4.107 1.00 0.00 C ATOM 930 C CYS A 137 12.790 0.050 -3.801 1.00 0.00 C ATOM 931 O CYS A 137 13.424 0.965 -3.269 1.00 0.00 O ATOM 932 CB CYS A 137 11.028 -0.236 -5.547 1.00 0.00 C ATOM 933 SG CYS A 137 12.038 0.647 -6.775 1.00 0.00 S ATOM 0 H CYS A 137 11.265 2.237 -4.548 1.00 0.00 H new ATOM 0 HA CYS A 137 10.747 -0.451 -3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.211 -1.306 -5.640 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.974 -0.072 -5.770 1.00 0.00 H new ATOM 0 HG CYS A 137 11.710 1.905 -6.783 1.00 0.00 H new ATOM 938 N GLU A 138 13.334 -1.099 -4.160 1.00 0.00 N ATOM 939 CA GLU A 138 14.748 -1.375 -3.982 1.00 0.00 C ATOM 940 C GLU A 138 15.558 -0.673 -5.070 1.00 0.00 C ATOM 941 O GLU A 138 16.714 -0.295 -4.859 1.00 0.00 O ATOM 942 CB GLU A 138 14.972 -2.890 -4.005 1.00 0.00 C ATOM 943 CG GLU A 138 16.297 -3.327 -4.606 1.00 0.00 C ATOM 944 CD GLU A 138 16.177 -4.646 -5.331 1.00 0.00 C ATOM 945 OE1 GLU A 138 15.208 -4.822 -6.094 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.045 -5.518 -5.133 1.00 0.00 O ATOM 0 H GLU A 138 12.809 -1.865 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 138 15.085 -0.991 -3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 138 14.909 -3.268 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 138 14.162 -3.355 -4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 138 16.652 -2.563 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 138 17.043 -3.413 -3.816 1.00 0.00 H new ATOM 953 N HIS A 139 14.936 -0.487 -6.229 1.00 0.00 N ATOM 954 CA HIS A 139 15.575 0.195 -7.342 1.00 0.00 C ATOM 955 C HIS A 139 15.549 1.699 -7.100 1.00 0.00 C ATOM 956 O HIS A 139 16.416 2.443 -7.569 1.00 0.00 O ATOM 957 CB HIS A 139 14.872 -0.152 -8.662 1.00 0.00 C ATOM 958 CG HIS A 139 15.816 -0.258 -9.818 1.00 0.00 C ATOM 959 ND1 HIS A 139 15.575 0.380 -11.009 1.00 0.00 N ATOM 960 CD2 HIS A 139 16.987 -0.930 -9.907 1.00 0.00 C ATOM 961 CE1 HIS A 139 16.600 0.083 -11.793 1.00 0.00 C ATOM 962 NE2 HIS A 139 17.481 -0.708 -11.166 1.00 0.00 N ATOM 0 H HIS A 139 13.985 -0.802 -6.420 1.00 0.00 H new ATOM 0 HA HIS A 139 16.611 -0.136 -7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.340 -1.097 -8.547 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.124 0.610 -8.880 1.00 0.00 H new ATOM 0 HD2 HIS A 139 17.445 -1.528 -9.133 1.00 0.00 H new ATOM 0 HE1 HIS A 139 16.712 0.434 -12.808 1.00 0.00 H new ATOM 0 HE2 HIS A 139 18.351 -1.074 -11.551 1.00 0.00 H new ATOM 970 N ASP A 140 14.535 2.121 -6.358 1.00 0.00 N ATOM 971 CA ASP A 140 14.392 3.503 -5.918 1.00 0.00 C ATOM 972 C ASP A 140 15.492 3.859 -4.930 1.00 0.00 C ATOM 973 O ASP A 140 16.508 4.440 -5.304 1.00 0.00 O ATOM 974 CB ASP A 140 13.033 3.690 -5.246 1.00 0.00 C ATOM 975 CG ASP A 140 12.038 4.453 -6.094 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.299 5.639 -6.409 1.00 0.00 O ATOM 977 OD2 ASP A 140 10.967 3.888 -6.401 1.00 0.00 O ATOM 0 H ASP A 140 13.782 1.510 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 140 14.467 4.156 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.618 2.711 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.173 4.217 -4.302 1.00 0.00 H new ATOM 982 N ARG A 141 15.266 3.478 -3.669 1.00 0.00 N ATOM 983 CA ARG A 141 16.201 3.732 -2.572 1.00 0.00 C ATOM 984 C ARG A 141 16.786 5.145 -2.634 1.00 0.00 C ATOM 985 O ARG A 141 17.961 5.320 -2.980 1.00 0.00 O ATOM 986 CB ARG A 141 17.322 2.689 -2.572 1.00 0.00 C ATOM 987 CG ARG A 141 17.965 2.493 -1.208 1.00 0.00 C ATOM 988 CD ARG A 141 18.433 1.062 -1.011 1.00 0.00 C ATOM 989 NE ARG A 141 19.721 0.991 -0.319 1.00 0.00 N ATOM 990 CZ ARG A 141 20.906 1.106 -0.926 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.971 1.347 -2.230 1.00 0.00 N ATOM 992 NH2 ARG A 141 22.023 0.991 -0.223 1.00 0.00 N ATOM 0 H ARG A 141 14.423 2.981 -3.380 1.00 0.00 H new ATOM 0 HA ARG A 141 15.640 3.651 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 141 16.921 1.736 -2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.088 2.990 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 141 18.812 3.171 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 141 17.250 2.753 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 141 17.685 0.512 -0.440 1.00 0.00 H new ATOM 0 HD3 ARG A 141 18.516 0.572 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 141 19.714 0.844 0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.114 1.445 -2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 141 21.878 1.434 -2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 141 21.978 0.815 0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 141 22.928 1.079 -0.685 1.00 0.00 H new ATOM 1006 N PRO A 142 15.976 6.170 -2.295 1.00 0.00 N ATOM 1007 CA PRO A 142 16.422 7.571 -2.298 1.00 0.00 C ATOM 1008 C PRO A 142 17.662 7.772 -1.425 1.00 0.00 C ATOM 1009 O PRO A 142 17.567 7.867 -0.200 1.00 0.00 O ATOM 1010 CB PRO A 142 15.221 8.332 -1.720 1.00 0.00 C ATOM 1011 CG PRO A 142 14.050 7.447 -1.976 1.00 0.00 C ATOM 1012 CD PRO A 142 14.567 6.042 -1.869 1.00 0.00 C ATOM 0 HA PRO A 142 16.710 7.912 -3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 142 15.348 8.521 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 142 15.097 9.301 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.257 7.628 -1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.627 7.634 -2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.487 5.659 -0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 142 14.012 5.358 -2.511 1.00 0.00 H new ATOM 1020 N THR A 143 18.821 7.848 -2.067 1.00 0.00 N ATOM 1021 CA THR A 143 20.095 7.907 -1.366 1.00 0.00 C ATOM 1022 C THR A 143 20.415 9.324 -0.886 1.00 0.00 C ATOM 1023 O THR A 143 21.458 9.887 -1.218 1.00 0.00 O ATOM 1024 CB THR A 143 21.220 7.397 -2.283 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.651 6.888 -3.503 1.00 0.00 O ATOM 1026 CG2 THR A 143 22.020 6.300 -1.597 1.00 0.00 C ATOM 0 H THR A 143 18.903 7.870 -3.083 1.00 0.00 H new ATOM 0 HA THR A 143 20.020 7.269 -0.486 1.00 0.00 H new ATOM 0 HB THR A 143 21.891 8.227 -2.506 1.00 0.00 H new ATOM 0 HG1 THR A 143 21.368 6.564 -4.088 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.810 5.954 -2.264 1.00 0.00 H new ATOM 0 HG22 THR A 143 22.463 6.691 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 143 21.361 5.467 -1.353 1.00 0.00 H new ATOM 1034 N ALA A 144 19.500 9.884 -0.103 1.00 0.00 N ATOM 1035 CA ALA A 144 19.670 11.209 0.479 1.00 0.00 C ATOM 1036 C ALA A 144 18.764 11.352 1.694 1.00 0.00 C ATOM 1037 O ALA A 144 19.206 11.228 2.836 1.00 0.00 O ATOM 1038 CB ALA A 144 19.366 12.290 -0.549 1.00 0.00 C ATOM 0 H ALA A 144 18.620 9.432 0.146 1.00 0.00 H new ATOM 0 HA ALA A 144 20.707 11.329 0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 144 19.499 13.272 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 144 20.044 12.188 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 144 18.337 12.186 -0.893 1.00 0.00 H new ATOM 1044 N LEU A 145 17.484 11.587 1.439 1.00 0.00 N ATOM 1045 CA LEU A 145 16.495 11.650 2.507 1.00 0.00 C ATOM 1046 C LEU A 145 15.935 10.260 2.765 1.00 0.00 C ATOM 1047 O LEU A 145 14.794 9.955 2.424 1.00 0.00 O ATOM 1048 CB LEU A 145 15.367 12.621 2.142 1.00 0.00 C ATOM 1049 CG LEU A 145 15.077 13.717 3.170 1.00 0.00 C ATOM 1050 CD1 LEU A 145 14.095 13.220 4.219 1.00 0.00 C ATOM 1051 CD2 LEU A 145 16.364 14.202 3.818 1.00 0.00 C ATOM 0 H LEU A 145 17.106 11.737 0.503 1.00 0.00 H new ATOM 0 HA LEU A 145 16.976 12.016 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 145 15.614 13.095 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.455 12.046 1.984 1.00 0.00 H new ATOM 0 HG LEU A 145 14.622 14.561 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 145 13.901 14.013 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 145 13.161 12.933 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 145 14.518 12.357 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 145 16.134 14.981 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 145 16.854 13.369 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 145 17.027 14.605 3.053 1.00 0.00 H new ATOM 1063 N ILE A 146 16.765 9.421 3.358 1.00 0.00 N ATOM 1064 CA ILE A 146 16.416 8.035 3.602 1.00 0.00 C ATOM 1065 C ILE A 146 16.527 7.717 5.090 1.00 0.00 C ATOM 1066 O ILE A 146 17.187 8.444 5.836 1.00 0.00 O ATOM 1067 CB ILE A 146 17.334 7.096 2.783 1.00 0.00 C ATOM 1068 CG1 ILE A 146 16.731 5.694 2.688 1.00 0.00 C ATOM 1069 CG2 ILE A 146 18.736 7.038 3.380 1.00 0.00 C ATOM 1070 CD1 ILE A 146 17.243 4.895 1.508 1.00 0.00 C ATOM 0 H ILE A 146 17.696 9.681 3.683 1.00 0.00 H new ATOM 0 HA ILE A 146 15.385 7.875 3.286 1.00 0.00 H new ATOM 0 HB ILE A 146 17.414 7.505 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 146 16.949 5.150 3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 146 15.647 5.778 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 146 19.358 6.371 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 146 19.173 8.037 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 146 18.681 6.665 4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 146 16.773 3.912 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 146 17.001 5.417 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 146 18.324 4.780 1.588 1.00 0.00 H new ATOM 1146 N GLY A 207 16.442 -0.988 4.008 1.00 0.00 N ATOM 1147 CA GLY A 207 15.143 -1.141 3.401 1.00 0.00 C ATOM 1148 C GLY A 207 14.177 -1.869 4.300 1.00 0.00 C ATOM 1149 O GLY A 207 14.554 -2.355 5.371 1.00 0.00 O ATOM 0 HA2 GLY A 207 14.740 -0.158 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 207 15.244 -1.686 2.462 1.00 0.00 H new ATOM 1153 N SER A 208 12.930 -1.940 3.875 1.00 0.00 N ATOM 1154 CA SER A 208 11.901 -2.624 4.630 1.00 0.00 C ATOM 1155 C SER A 208 11.421 -3.855 3.870 1.00 0.00 C ATOM 1156 O SER A 208 11.189 -3.802 2.668 1.00 0.00 O ATOM 1157 CB SER A 208 10.734 -1.669 4.890 1.00 0.00 C ATOM 1158 OG SER A 208 11.122 -0.321 4.678 1.00 0.00 O ATOM 0 H SER A 208 12.604 -1.527 3.001 1.00 0.00 H new ATOM 0 HA SER A 208 12.313 -2.949 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 208 9.902 -1.919 4.232 1.00 0.00 H new ATOM 0 HB3 SER A 208 10.380 -1.792 5.913 1.00 0.00 H new ATOM 0 HG SER A 208 10.359 0.270 4.849 1.00 0.00 H new ATOM 1164 N ILE A 404 11.299 -4.968 4.563 1.00 0.00 N ATOM 1165 CA ILE A 404 10.776 -6.178 3.951 1.00 0.00 C ATOM 1166 C ILE A 404 9.252 -6.094 3.879 1.00 0.00 C ATOM 1167 O ILE A 404 8.578 -5.992 4.906 1.00 0.00 O ATOM 1168 CB ILE A 404 11.206 -7.434 4.743 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.734 -7.580 4.733 1.00 0.00 C ATOM 1170 CG2 ILE A 404 10.545 -8.682 4.178 1.00 0.00 C ATOM 1171 CD1 ILE A 404 13.318 -7.850 3.361 1.00 0.00 C ATOM 0 H ILE A 404 11.553 -5.063 5.546 1.00 0.00 H new ATOM 0 HA ILE A 404 11.184 -6.263 2.944 1.00 0.00 H new ATOM 0 HB ILE A 404 10.878 -7.314 5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 404 13.178 -6.669 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 404 13.016 -8.392 5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 404 10.862 -9.553 4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 404 9.462 -8.581 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.837 -8.808 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 404 14.402 -7.940 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.904 -8.777 2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 404 13.069 -7.027 2.691 1.00 0.00 H new ATOM 1183 N ALA A 405 8.725 -6.117 2.659 1.00 0.00 N ATOM 1184 CA ALA A 405 7.295 -5.938 2.435 1.00 0.00 C ATOM 1185 C ALA A 405 6.483 -7.016 3.146 1.00 0.00 C ATOM 1186 O ALA A 405 6.813 -8.205 3.085 1.00 0.00 O ATOM 1187 CB ALA A 405 6.990 -5.916 0.943 1.00 0.00 C ATOM 0 H ALA A 405 9.269 -6.258 1.808 1.00 0.00 H new ATOM 0 HA ALA A 405 7.003 -4.977 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.919 -5.782 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.528 -5.093 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 405 7.304 -6.858 0.493 1.00 0.00 H new ATOM 1193 N PRO A 406 5.427 -6.595 3.859 1.00 0.00 N ATOM 1194 CA PRO A 406 4.550 -7.489 4.613 1.00 0.00 C ATOM 1195 C PRO A 406 3.576 -8.244 3.713 1.00 0.00 C ATOM 1196 O PRO A 406 3.676 -8.195 2.484 1.00 0.00 O ATOM 1197 CB PRO A 406 3.779 -6.542 5.551 1.00 0.00 C ATOM 1198 CG PRO A 406 4.387 -5.190 5.357 1.00 0.00 C ATOM 1199 CD PRO A 406 5.012 -5.203 3.997 1.00 0.00 C ATOM 0 HA PRO A 406 5.117 -8.259 5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.716 -6.531 5.308 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.865 -6.864 6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.630 -4.409 5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 406 5.132 -4.985 6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.304 -4.911 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.857 -4.518 3.931 1.00 0.00 H new ATOM 1207 N PHE A 407 2.626 -8.928 4.335 1.00 0.00 N ATOM 1208 CA PHE A 407 1.629 -9.695 3.603 1.00 0.00 C ATOM 1209 C PHE A 407 0.291 -8.966 3.612 1.00 0.00 C ATOM 1210 O PHE A 407 0.051 -8.110 4.469 1.00 0.00 O ATOM 1211 CB PHE A 407 1.474 -11.085 4.225 1.00 0.00 C ATOM 1212 CG PHE A 407 2.399 -12.112 3.638 1.00 0.00 C ATOM 1213 CD1 PHE A 407 2.028 -12.837 2.519 1.00 0.00 C ATOM 1214 CD2 PHE A 407 3.639 -12.353 4.205 1.00 0.00 C ATOM 1215 CE1 PHE A 407 2.877 -13.785 1.978 1.00 0.00 C ATOM 1216 CE2 PHE A 407 4.492 -13.297 3.668 1.00 0.00 C ATOM 1217 CZ PHE A 407 4.110 -14.015 2.553 1.00 0.00 C ATOM 0 H PHE A 407 2.525 -8.967 5.349 1.00 0.00 H new ATOM 0 HA PHE A 407 1.961 -9.805 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.655 -11.016 5.298 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.445 -11.419 4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 407 1.065 -12.660 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 407 3.943 -11.795 5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 407 2.575 -14.345 1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 407 5.457 -13.473 4.120 1.00 0.00 H new ATOM 0 HZ PHE A 407 4.774 -14.755 2.132 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.591 -9.280 2.648 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.920 -8.684 2.569 1.00 0.00 C ATOM 1229 C PRO A 408 -2.888 -9.302 3.578 1.00 0.00 C ATOM 1230 O PRO A 408 -2.868 -10.512 3.811 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.384 -8.989 1.135 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.237 -9.677 0.459 1.00 0.00 C ATOM 1233 CD PRO A 408 -0.365 -10.224 1.549 1.00 0.00 C ATOM 0 HA PRO A 408 -1.895 -7.619 2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.270 -9.624 1.140 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.652 -8.072 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.593 -10.477 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.682 -8.980 -0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 408 -0.649 -11.240 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.683 -10.255 1.251 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.734 -8.467 4.162 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.706 -8.918 5.149 1.00 0.00 C ATOM 1243 C GLU A 409 -6.092 -8.372 4.815 1.00 0.00 C ATOM 1244 O GLU A 409 -6.245 -7.610 3.866 1.00 0.00 O ATOM 1245 CB GLU A 409 -4.297 -8.450 6.545 1.00 0.00 C ATOM 1246 CG GLU A 409 -3.794 -9.569 7.441 1.00 0.00 C ATOM 1247 CD GLU A 409 -4.916 -10.389 8.040 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -6.096 -10.021 7.856 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -4.622 -11.407 8.698 1.00 0.00 O ATOM 0 H GLU A 409 -3.767 -7.466 3.968 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.736 -10.007 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -3.518 -7.694 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -5.151 -7.970 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -3.139 -10.223 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -3.193 -9.143 8.244 1.00 0.00 H new ATOM 1256 N ALA A 410 -7.093 -8.746 5.598 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.441 -8.250 5.378 1.00 0.00 C ATOM 1258 C ALA A 410 -8.775 -7.190 6.418 1.00 0.00 C ATOM 1259 O ALA A 410 -8.717 -7.450 7.619 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.458 -9.382 5.414 1.00 0.00 C ATOM 0 H ALA A 410 -6.998 -9.387 6.386 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.487 -7.801 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.457 -8.979 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.223 -10.107 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -9.423 -9.872 6.387 1.00 0.00 H new ATOM 1266 N ALA A 411 -9.094 -5.992 5.953 1.00 0.00 N ATOM 1267 CA ALA A 411 -9.397 -4.884 6.848 1.00 0.00 C ATOM 1268 C ALA A 411 -10.860 -4.908 7.281 1.00 0.00 C ATOM 1269 O ALA A 411 -11.252 -5.696 8.143 1.00 0.00 O ATOM 1270 CB ALA A 411 -9.050 -3.557 6.181 1.00 0.00 C ATOM 0 H ALA A 411 -9.150 -5.761 4.961 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.787 -4.993 7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -9.281 -2.737 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.988 -3.539 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -9.633 -3.446 5.267 1.00 0.00 H new ATOM 1276 N LEU A 412 -11.665 -4.043 6.687 1.00 0.00 N ATOM 1277 CA LEU A 412 -13.077 -3.967 7.015 1.00 0.00 C ATOM 1278 C LEU A 412 -13.909 -3.959 5.741 1.00 0.00 C ATOM 1279 O LEU A 412 -13.610 -3.211 4.809 1.00 0.00 O ATOM 1280 CB LEU A 412 -13.366 -2.712 7.843 1.00 0.00 C ATOM 1281 CG LEU A 412 -14.447 -2.875 8.912 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -13.857 -2.690 10.298 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -15.582 -1.892 8.673 1.00 0.00 C ATOM 0 H LEU A 412 -11.362 -3.381 5.972 1.00 0.00 H new ATOM 0 HA LEU A 412 -13.346 -4.842 7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -12.443 -2.395 8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -13.663 -1.910 7.167 1.00 0.00 H new ATOM 0 HG LEU A 412 -14.850 -3.886 8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -14.641 -2.809 11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -13.079 -3.435 10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -13.426 -1.692 10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -16.343 -2.021 9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -15.196 -0.874 8.712 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -16.022 -2.076 7.693 1.00 0.00 H new ATOM 1295 N PRO A 413 -14.942 -4.812 5.670 1.00 0.00 N ATOM 1296 CA PRO A 413 -15.849 -4.841 4.524 1.00 0.00 C ATOM 1297 C PRO A 413 -16.696 -3.572 4.443 1.00 0.00 C ATOM 1298 O PRO A 413 -17.092 -3.006 5.469 1.00 0.00 O ATOM 1299 CB PRO A 413 -16.732 -6.061 4.787 1.00 0.00 C ATOM 1300 CG PRO A 413 -16.652 -6.290 6.255 1.00 0.00 C ATOM 1301 CD PRO A 413 -15.293 -5.819 6.685 1.00 0.00 C ATOM 0 HA PRO A 413 -15.312 -4.896 3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -17.760 -5.879 4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -16.378 -6.930 4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -17.436 -5.741 6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -16.790 -7.345 6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -15.315 -5.389 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -14.573 -6.637 6.705 1.00 0.00 H new ATOM 1309 N THR A 414 -16.980 -3.142 3.221 1.00 0.00 N ATOM 1310 CA THR A 414 -17.707 -1.905 2.987 1.00 0.00 C ATOM 1311 C THR A 414 -19.204 -2.058 3.261 1.00 0.00 C ATOM 1312 O THR A 414 -19.676 -3.142 3.611 1.00 0.00 O ATOM 1313 CB THR A 414 -17.504 -1.445 1.540 1.00 0.00 C ATOM 1314 OG1 THR A 414 -16.597 -2.332 0.868 1.00 0.00 O ATOM 1315 CG2 THR A 414 -16.954 -0.036 1.512 1.00 0.00 C ATOM 0 H THR A 414 -16.714 -3.638 2.370 1.00 0.00 H new ATOM 0 HA THR A 414 -17.311 -1.161 3.678 1.00 0.00 H new ATOM 0 HB THR A 414 -18.467 -1.460 1.029 1.00 0.00 H new ATOM 0 HG1 THR A 414 -16.473 -2.033 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 414 -16.814 0.279 0.478 1.00 0.00 H new ATOM 0 HG22 THR A 414 -17.654 0.638 2.005 1.00 0.00 H new ATOM 0 HG23 THR A 414 -15.997 -0.009 2.032 1.00 0.00 H new ATOM 1323 N SER A 415 -19.939 -0.961 3.109 1.00 0.00 N ATOM 1324 CA SER A 415 -21.380 -0.968 3.295 1.00 0.00 C ATOM 1325 C SER A 415 -22.083 -1.641 2.118 1.00 0.00 C ATOM 1326 O SER A 415 -21.482 -1.862 1.067 1.00 0.00 O ATOM 1327 CB SER A 415 -21.872 0.466 3.463 1.00 0.00 C ATOM 1328 OG SER A 415 -20.840 1.282 3.983 1.00 0.00 O ATOM 0 H SER A 415 -19.554 -0.051 2.856 1.00 0.00 H new ATOM 0 HA SER A 415 -21.617 -1.541 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 415 -22.205 0.858 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 415 -22.733 0.486 4.132 1.00 0.00 H new ATOM 0 HG SER A 415 -21.168 2.200 4.084 1.00 0.00 H new