USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=24 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 129 HIS :FLIP no HD1:sc= -2.39! C(o=-2.6!,f=-1.9!) USER MOD Set 1.2: A 208 SER OG : rot 123:sc= 0.476 USER MOD Set 2.1: A 115 CYS SG : rot -142:sc= 0.0317 USER MOD Set 2.2: A 118 CYS SG : rot -75:sc= -2.77! USER MOD Set 2.3: A 120 ASN : amide:sc= 0.974 K(o=0.44,f=-3.4!) USER MOD Set 2.4: A 137 CYS SG : rot -42:sc= 2.21 USER MOD Set 3.1: A 87 CYS SG : rot -171:sc= 2.12 USER MOD Set 3.2: A 90 CYS SG : rot 137:sc= 1.02 USER MOD Set 3.3: A 109 HIS : no HD1:sc= -1.93 X(o=-4.5,f=-4.6) USER MOD Set 3.4: A 112 CYS SG : rot -121:sc= -5.74! USER MOD Set 4.1: A 88 SER OG : rot 140:sc= 1.03 USER MOD Set 4.2: A 106 ASN : amide:sc= 1.24 X(o=2.3,f=1.9) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 84 SER OG : rot -160:sc= -1.12! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 100:sc= 1.03 USER MOD Single : A 97 SER OG : rot 180:sc= 0.017 USER MOD Single : A 101 MET CE :methyl 146:sc= -1.72 (180deg=-5.45!) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.391 F(o=-2.9!,f=-0.39) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -172:sc= 1.22 (180deg=0.885) USER MOD Single : A 114 THR OG1 : rot -120:sc= 0.0511 USER MOD Single : A 116 SER OG : rot -170:sc= 0.116 USER MOD Single : A 117 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 130 TYR OH : rot 30:sc= 0.133 USER MOD Single : A 132 ASN : amide:sc= -0.0385 X(o=-0.039,f=-0.29) USER MOD Single : A 134 SER OG : rot 72:sc= 1.11 USER MOD Single : A 139 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=-0.017) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 414 THR OG1 : rot 76:sc= 0.614 USER MOD Single : A 415 SER OG : rot 26:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -14.316 9.719 -1.253 1.00 0.00 N ATOM 62 CA ARG A 79 -13.476 8.741 -1.932 1.00 0.00 C ATOM 63 C ARG A 79 -13.503 7.416 -1.184 1.00 0.00 C ATOM 64 O ARG A 79 -12.886 6.441 -1.601 1.00 0.00 O ATOM 65 CB ARG A 79 -12.038 9.251 -2.060 1.00 0.00 C ATOM 66 CG ARG A 79 -11.419 9.005 -3.432 1.00 0.00 C ATOM 67 CD ARG A 79 -9.964 8.573 -3.323 1.00 0.00 C ATOM 68 NE ARG A 79 -9.565 7.698 -4.430 1.00 0.00 N ATOM 69 CZ ARG A 79 -8.548 7.955 -5.253 1.00 0.00 C ATOM 70 NH1 ARG A 79 -7.811 9.049 -5.098 1.00 0.00 N ATOM 71 NH2 ARG A 79 -8.257 7.113 -6.238 1.00 0.00 N ATOM 0 HA ARG A 79 -13.872 8.588 -2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.021 10.321 -1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.422 8.768 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.988 8.237 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.485 9.914 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.324 9.455 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.810 8.054 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.098 6.841 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.021 9.703 -4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.035 9.236 -5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.812 6.267 -6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.478 7.312 -6.866 1.00 0.00 H new ATOM 85 N LEU A 80 -14.231 7.388 -0.076 1.00 0.00 N ATOM 86 CA LEU A 80 -14.357 6.183 0.729 1.00 0.00 C ATOM 87 C LEU A 80 -15.819 5.948 1.075 1.00 0.00 C ATOM 88 O LEU A 80 -16.398 6.681 1.876 1.00 0.00 O ATOM 89 CB LEU A 80 -13.531 6.287 2.022 1.00 0.00 C ATOM 90 CG LEU A 80 -12.467 7.392 2.053 1.00 0.00 C ATOM 91 CD1 LEU A 80 -13.035 8.672 2.651 1.00 0.00 C ATOM 92 CD2 LEU A 80 -11.245 6.930 2.836 1.00 0.00 C ATOM 0 H LEU A 80 -14.745 8.191 0.286 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.975 5.344 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.216 6.446 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.038 5.330 2.193 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.162 7.603 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.263 9.442 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.877 9.012 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.371 8.480 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.499 7.725 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.537 6.690 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.823 6.044 2.362 1.00 0.00 H new ATOM 104 N PHE A 81 -16.409 4.925 0.477 1.00 0.00 N ATOM 105 CA PHE A 81 -17.819 4.630 0.677 1.00 0.00 C ATOM 106 C PHE A 81 -18.033 3.929 2.017 1.00 0.00 C ATOM 107 O PHE A 81 -17.903 2.711 2.133 1.00 0.00 O ATOM 108 CB PHE A 81 -18.346 3.781 -0.483 1.00 0.00 C ATOM 109 CG PHE A 81 -18.580 4.580 -1.733 1.00 0.00 C ATOM 110 CD1 PHE A 81 -19.749 5.303 -1.903 1.00 0.00 C ATOM 111 CD2 PHE A 81 -17.626 4.616 -2.735 1.00 0.00 C ATOM 112 CE1 PHE A 81 -19.962 6.045 -3.050 1.00 0.00 C ATOM 113 CE2 PHE A 81 -17.833 5.358 -3.883 1.00 0.00 C ATOM 114 CZ PHE A 81 -19.002 6.072 -4.040 1.00 0.00 C ATOM 0 H PHE A 81 -15.930 4.282 -0.154 1.00 0.00 H new ATOM 0 HA PHE A 81 -18.379 5.565 0.698 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -17.634 2.983 -0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -19.279 3.304 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -20.503 5.287 -1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -16.709 4.058 -2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -20.879 6.603 -3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -17.079 5.378 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 81 -19.166 6.651 -4.937 1.00 0.00 H new ATOM 124 N GLY A 82 -18.339 4.725 3.032 1.00 0.00 N ATOM 125 CA GLY A 82 -18.471 4.217 4.384 1.00 0.00 C ATOM 126 C GLY A 82 -17.543 4.944 5.331 1.00 0.00 C ATOM 127 O GLY A 82 -17.745 4.927 6.542 1.00 0.00 O ATOM 0 H GLY A 82 -18.500 5.728 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -19.502 4.332 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.248 3.150 4.399 1.00 0.00 H new ATOM 131 N ASN A 83 -16.518 5.573 4.749 1.00 0.00 N ATOM 132 CA ASN A 83 -15.552 6.400 5.482 1.00 0.00 C ATOM 133 C ASN A 83 -14.736 5.587 6.484 1.00 0.00 C ATOM 134 O ASN A 83 -14.138 6.141 7.404 1.00 0.00 O ATOM 135 CB ASN A 83 -16.259 7.563 6.191 1.00 0.00 C ATOM 136 CG ASN A 83 -16.296 8.820 5.343 1.00 0.00 C ATOM 137 OD1 ASN A 83 -16.371 8.757 4.115 1.00 0.00 O ATOM 138 ND2 ASN A 83 -16.253 9.972 5.989 1.00 0.00 N ATOM 0 H ASN A 83 -16.333 5.523 3.747 1.00 0.00 H new ATOM 0 HA ASN A 83 -14.857 6.802 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.278 7.267 6.442 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.749 7.776 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -16.282 10.849 5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -16.191 9.984 7.007 1.00 0.00 H new ATOM 145 N SER A 84 -14.708 4.277 6.297 1.00 0.00 N ATOM 146 CA SER A 84 -13.911 3.406 7.148 1.00 0.00 C ATOM 147 C SER A 84 -12.522 3.197 6.560 1.00 0.00 C ATOM 148 O SER A 84 -11.617 2.716 7.241 1.00 0.00 O ATOM 149 CB SER A 84 -14.616 2.062 7.332 1.00 0.00 C ATOM 150 OG SER A 84 -15.931 2.107 6.801 1.00 0.00 O ATOM 0 H SER A 84 -15.227 3.793 5.564 1.00 0.00 H new ATOM 0 HA SER A 84 -13.800 3.884 8.121 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.046 1.276 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.655 1.809 8.391 1.00 0.00 H new ATOM 0 HG SER A 84 -16.467 1.386 7.193 1.00 0.00 H new ATOM 156 N GLY A 85 -12.357 3.564 5.295 1.00 0.00 N ATOM 157 CA GLY A 85 -11.079 3.398 4.640 1.00 0.00 C ATOM 158 C GLY A 85 -11.229 3.199 3.143 1.00 0.00 C ATOM 159 O GLY A 85 -12.344 3.037 2.646 1.00 0.00 O ATOM 0 H GLY A 85 -13.088 3.974 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.458 4.274 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.560 2.541 5.069 1.00 0.00 H new ATOM 163 N ALA A 86 -10.116 3.239 2.424 1.00 0.00 N ATOM 164 CA ALA A 86 -10.109 3.029 0.981 1.00 0.00 C ATOM 165 C ALA A 86 -8.681 2.840 0.499 1.00 0.00 C ATOM 166 O ALA A 86 -7.735 3.151 1.227 1.00 0.00 O ATOM 167 CB ALA A 86 -10.760 4.204 0.260 1.00 0.00 C ATOM 0 H ALA A 86 -9.194 3.417 2.822 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.686 2.132 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.743 4.025 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.792 4.310 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.211 5.118 0.484 1.00 0.00 H new ATOM 173 N CYS A 87 -8.524 2.316 -0.711 1.00 0.00 N ATOM 174 CA CYS A 87 -7.208 2.184 -1.314 1.00 0.00 C ATOM 175 C CYS A 87 -6.644 3.557 -1.644 1.00 0.00 C ATOM 176 O CYS A 87 -7.379 4.475 -2.005 1.00 0.00 O ATOM 177 CB CYS A 87 -7.268 1.339 -2.585 1.00 0.00 C ATOM 178 SG CYS A 87 -5.637 1.008 -3.341 1.00 0.00 S ATOM 0 H CYS A 87 -9.292 1.977 -1.291 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.558 1.685 -0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.749 0.388 -2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.899 1.846 -3.316 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.803 0.457 -4.507 1.00 0.00 H new ATOM 183 N SER A 88 -5.338 3.689 -1.520 1.00 0.00 N ATOM 184 CA SER A 88 -4.679 4.944 -1.824 1.00 0.00 C ATOM 185 C SER A 88 -4.158 4.949 -3.260 1.00 0.00 C ATOM 186 O SER A 88 -3.592 5.938 -3.720 1.00 0.00 O ATOM 187 CB SER A 88 -3.544 5.187 -0.832 1.00 0.00 C ATOM 188 OG SER A 88 -3.692 4.353 0.308 1.00 0.00 O ATOM 0 H SER A 88 -4.713 2.944 -1.211 1.00 0.00 H new ATOM 0 HA SER A 88 -5.404 5.753 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.585 4.990 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.538 6.233 -0.526 1.00 0.00 H new ATOM 0 HG SER A 88 -2.814 4.014 0.582 1.00 0.00 H new ATOM 194 N ALA A 89 -4.349 3.838 -3.964 1.00 0.00 N ATOM 195 CA ALA A 89 -3.945 3.739 -5.358 1.00 0.00 C ATOM 196 C ALA A 89 -5.167 3.633 -6.256 1.00 0.00 C ATOM 197 O ALA A 89 -5.313 4.392 -7.220 1.00 0.00 O ATOM 198 CB ALA A 89 -3.025 2.549 -5.568 1.00 0.00 C ATOM 0 H ALA A 89 -4.782 2.994 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.397 4.643 -5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.735 2.494 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.134 2.665 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.545 1.633 -5.287 1.00 0.00 H new ATOM 204 N CYS A 90 -6.046 2.695 -5.931 1.00 0.00 N ATOM 205 CA CYS A 90 -7.297 2.549 -6.654 1.00 0.00 C ATOM 206 C CYS A 90 -8.283 3.616 -6.201 1.00 0.00 C ATOM 207 O CYS A 90 -8.837 4.361 -7.014 1.00 0.00 O ATOM 208 CB CYS A 90 -7.903 1.167 -6.414 1.00 0.00 C ATOM 209 SG CYS A 90 -6.756 -0.227 -6.702 1.00 0.00 S ATOM 0 H CYS A 90 -5.914 2.026 -5.172 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.092 2.664 -7.718 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.265 1.117 -5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.770 1.047 -7.063 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.887 -1.101 -5.749 1.00 0.00 H new ATOM 214 N GLY A 91 -8.480 3.684 -4.895 1.00 0.00 N ATOM 215 CA GLY A 91 -9.439 4.601 -4.327 1.00 0.00 C ATOM 216 C GLY A 91 -10.761 3.929 -4.053 1.00 0.00 C ATOM 217 O GLY A 91 -11.713 4.564 -3.609 1.00 0.00 O ATOM 0 H GLY A 91 -7.985 3.112 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.042 5.014 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.591 5.437 -5.009 1.00 0.00 H new ATOM 221 N GLN A 92 -10.823 2.636 -4.332 1.00 0.00 N ATOM 222 CA GLN A 92 -12.018 1.863 -4.063 1.00 0.00 C ATOM 223 C GLN A 92 -12.012 1.395 -2.618 1.00 0.00 C ATOM 224 O GLN A 92 -10.985 0.946 -2.104 1.00 0.00 O ATOM 225 CB GLN A 92 -12.114 0.662 -5.006 1.00 0.00 C ATOM 226 CG GLN A 92 -13.426 0.597 -5.778 1.00 0.00 C ATOM 227 CD GLN A 92 -14.535 -0.083 -4.995 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.626 -1.309 -4.960 1.00 0.00 O ATOM 229 NE2 GLN A 92 -15.399 0.708 -4.370 1.00 0.00 N ATOM 0 H GLN A 92 -10.058 2.103 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.888 2.498 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.287 0.700 -5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.997 -0.254 -4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.739 1.608 -6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.266 0.061 -6.713 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.292 1.721 -4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.170 0.303 -3.839 1.00 0.00 H new ATOM 238 N SER A 93 -13.151 1.538 -1.961 1.00 0.00 N ATOM 239 CA SER A 93 -13.317 1.073 -0.597 1.00 0.00 C ATOM 240 C SER A 93 -13.222 -0.450 -0.545 1.00 0.00 C ATOM 241 O SER A 93 -13.609 -1.131 -1.494 1.00 0.00 O ATOM 242 CB SER A 93 -14.657 1.570 -0.070 1.00 0.00 C ATOM 243 OG SER A 93 -14.953 2.842 -0.632 1.00 0.00 O ATOM 0 H SER A 93 -13.982 1.978 -2.357 1.00 0.00 H new ATOM 0 HA SER A 93 -12.523 1.469 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.444 0.859 -0.322 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.627 1.641 1.017 1.00 0.00 H new ATOM 0 HG SER A 93 -15.582 2.733 -1.376 1.00 0.00 H new ATOM 249 N ILE A 94 -12.717 -0.979 0.559 1.00 0.00 N ATOM 250 CA ILE A 94 -12.348 -2.386 0.622 1.00 0.00 C ATOM 251 C ILE A 94 -13.370 -3.225 1.386 1.00 0.00 C ATOM 252 O ILE A 94 -13.592 -3.022 2.583 1.00 0.00 O ATOM 253 CB ILE A 94 -10.956 -2.569 1.271 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.915 -1.726 0.533 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.549 -4.038 1.265 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.195 -0.731 1.418 1.00 0.00 C ATOM 0 H ILE A 94 -12.554 -0.458 1.421 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.321 -2.737 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.011 -2.233 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.181 -2.390 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.406 -1.188 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.567 -4.145 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.279 -4.620 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.509 -4.400 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.473 -0.171 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.918 -0.042 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.674 -1.263 2.214 1.00 0.00 H new ATOM 268 N PRO A 95 -14.017 -4.171 0.686 1.00 0.00 N ATOM 269 CA PRO A 95 -14.860 -5.186 1.316 1.00 0.00 C ATOM 270 C PRO A 95 -14.011 -6.289 1.948 1.00 0.00 C ATOM 271 O PRO A 95 -12.816 -6.394 1.669 1.00 0.00 O ATOM 272 CB PRO A 95 -15.677 -5.733 0.150 1.00 0.00 C ATOM 273 CG PRO A 95 -14.799 -5.553 -1.043 1.00 0.00 C ATOM 274 CD PRO A 95 -13.984 -4.314 -0.785 1.00 0.00 C ATOM 0 HA PRO A 95 -15.475 -4.788 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.930 -6.782 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.616 -5.192 0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.154 -6.420 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.393 -5.445 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.964 -4.422 -1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -14.412 -3.443 -1.281 1.00 0.00 H new ATOM 282 N ALA A 96 -14.627 -7.129 2.770 1.00 0.00 N ATOM 283 CA ALA A 96 -13.900 -8.179 3.482 1.00 0.00 C ATOM 284 C ALA A 96 -13.585 -9.377 2.583 1.00 0.00 C ATOM 285 O ALA A 96 -13.089 -10.398 3.051 1.00 0.00 O ATOM 286 CB ALA A 96 -14.694 -8.638 4.698 1.00 0.00 C ATOM 0 H ALA A 96 -15.629 -7.106 2.962 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.951 -7.751 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.142 -9.420 5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -14.850 -7.794 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.659 -9.029 4.376 1.00 0.00 H new ATOM 292 N SER A 97 -13.864 -9.246 1.294 1.00 0.00 N ATOM 293 CA SER A 97 -13.690 -10.348 0.366 1.00 0.00 C ATOM 294 C SER A 97 -12.293 -10.353 -0.257 1.00 0.00 C ATOM 295 O SER A 97 -11.717 -11.416 -0.488 1.00 0.00 O ATOM 296 CB SER A 97 -14.754 -10.262 -0.728 1.00 0.00 C ATOM 297 OG SER A 97 -15.498 -9.057 -0.609 1.00 0.00 O ATOM 0 H SER A 97 -14.212 -8.386 0.869 1.00 0.00 H new ATOM 0 HA SER A 97 -13.802 -11.280 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.280 -10.308 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.425 -11.118 -0.658 1.00 0.00 H new ATOM 0 HG SER A 97 -16.173 -9.018 -1.318 1.00 0.00 H new ATOM 303 N GLU A 98 -11.744 -9.171 -0.512 1.00 0.00 N ATOM 304 CA GLU A 98 -10.450 -9.063 -1.178 1.00 0.00 C ATOM 305 C GLU A 98 -9.331 -8.893 -0.160 1.00 0.00 C ATOM 306 O GLU A 98 -9.397 -8.026 0.714 1.00 0.00 O ATOM 307 CB GLU A 98 -10.440 -7.894 -2.173 1.00 0.00 C ATOM 308 CG GLU A 98 -10.324 -8.330 -3.629 1.00 0.00 C ATOM 309 CD GLU A 98 -9.235 -7.589 -4.387 1.00 0.00 C ATOM 310 OE1 GLU A 98 -8.076 -8.048 -4.372 1.00 0.00 O ATOM 311 OE2 GLU A 98 -9.537 -6.556 -5.025 1.00 0.00 O ATOM 0 H GLU A 98 -12.172 -8.277 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.282 -9.988 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.355 -7.314 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.608 -7.232 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.121 -9.400 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.280 -8.169 -4.128 1.00 0.00 H new ATOM 318 N LEU A 99 -8.319 -9.743 -0.263 1.00 0.00 N ATOM 319 CA LEU A 99 -7.152 -9.641 0.599 1.00 0.00 C ATOM 320 C LEU A 99 -6.225 -8.549 0.079 1.00 0.00 C ATOM 321 O LEU A 99 -5.803 -8.571 -1.074 1.00 0.00 O ATOM 322 CB LEU A 99 -6.410 -10.976 0.675 1.00 0.00 C ATOM 323 CG LEU A 99 -6.307 -11.581 2.081 1.00 0.00 C ATOM 324 CD1 LEU A 99 -7.661 -12.088 2.549 1.00 0.00 C ATOM 325 CD2 LEU A 99 -5.280 -12.703 2.107 1.00 0.00 C ATOM 0 H LEU A 99 -8.283 -10.510 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.483 -9.383 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.912 -11.691 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.403 -10.838 0.280 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.980 -10.798 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.565 -12.513 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.371 -11.261 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.020 -12.854 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.221 -13.119 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.577 -13.484 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.305 -12.310 1.820 1.00 0.00 H new ATOM 337 N VAL A 100 -5.903 -7.609 0.943 1.00 0.00 N ATOM 338 CA VAL A 100 -5.198 -6.406 0.539 1.00 0.00 C ATOM 339 C VAL A 100 -3.821 -6.328 1.189 1.00 0.00 C ATOM 340 O VAL A 100 -3.378 -7.270 1.840 1.00 0.00 O ATOM 341 CB VAL A 100 -6.012 -5.155 0.914 1.00 0.00 C ATOM 342 CG1 VAL A 100 -7.379 -5.176 0.251 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.152 -5.045 2.421 1.00 0.00 C ATOM 0 H VAL A 100 -6.120 -7.654 1.939 1.00 0.00 H new ATOM 0 HA VAL A 100 -5.071 -6.446 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.474 -4.279 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.934 -4.281 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.258 -5.202 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.928 -6.060 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.730 -4.155 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.663 -5.928 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.163 -4.973 2.874 1.00 0.00 H new ATOM 353 N MET A 101 -3.151 -5.201 1.015 1.00 0.00 N ATOM 354 CA MET A 101 -1.830 -5.004 1.582 1.00 0.00 C ATOM 355 C MET A 101 -1.826 -3.778 2.481 1.00 0.00 C ATOM 356 O MET A 101 -1.990 -2.648 2.015 1.00 0.00 O ATOM 357 CB MET A 101 -0.790 -4.858 0.471 1.00 0.00 C ATOM 358 CG MET A 101 -0.409 -6.184 -0.167 1.00 0.00 C ATOM 359 SD MET A 101 0.779 -7.111 0.820 1.00 0.00 S ATOM 360 CE MET A 101 1.808 -7.799 -0.469 1.00 0.00 C ATOM 0 H MET A 101 -3.504 -4.406 0.483 1.00 0.00 H new ATOM 0 HA MET A 101 -1.571 -5.877 2.181 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.179 -4.190 -0.298 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.105 -4.387 0.879 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.307 -6.786 -0.309 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.011 -6.000 -1.156 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.838 -7.862 -0.118 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.451 -8.796 -0.726 1.00 0.00 H new ATOM 0 HE3 MET A 101 1.764 -7.159 -1.350 1.00 0.00 H new ATOM 370 N ARG A 102 -1.655 -4.003 3.771 1.00 0.00 N ATOM 371 CA ARG A 102 -1.671 -2.916 4.736 1.00 0.00 C ATOM 372 C ARG A 102 -0.271 -2.678 5.290 1.00 0.00 C ATOM 373 O ARG A 102 0.339 -3.576 5.877 1.00 0.00 O ATOM 374 CB ARG A 102 -2.654 -3.204 5.876 1.00 0.00 C ATOM 375 CG ARG A 102 -2.656 -4.649 6.351 1.00 0.00 C ATOM 376 CD ARG A 102 -3.856 -4.941 7.242 1.00 0.00 C ATOM 377 NE ARG A 102 -4.058 -3.901 8.250 1.00 0.00 N ATOM 378 CZ ARG A 102 -5.229 -3.616 8.825 1.00 0.00 C ATOM 379 NH1 ARG A 102 -6.306 -4.356 8.563 1.00 0.00 N ATOM 380 NH2 ARG A 102 -5.314 -2.613 9.685 1.00 0.00 N ATOM 0 H ARG A 102 -1.504 -4.927 4.175 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.004 -2.014 4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.414 -2.557 6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.660 -2.940 5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.670 -5.316 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.736 -4.855 6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.751 -5.028 6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.715 -5.902 7.736 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.246 -3.354 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.239 -5.145 7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.198 -4.133 9.005 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.486 -2.060 9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.207 -2.393 10.126 1.00 0.00 H new ATOM 394 N ALA A 103 0.238 -1.473 5.083 1.00 0.00 N ATOM 395 CA ALA A 103 1.557 -1.107 5.571 1.00 0.00 C ATOM 396 C ALA A 103 1.438 -0.371 6.901 1.00 0.00 C ATOM 397 O ALA A 103 0.350 -0.289 7.473 1.00 0.00 O ATOM 398 CB ALA A 103 2.277 -0.250 4.544 1.00 0.00 C ATOM 0 H ALA A 103 -0.245 -0.730 4.578 1.00 0.00 H new ATOM 0 HA ALA A 103 2.141 -2.014 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.264 0.018 4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.383 -0.809 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.701 0.657 4.359 1.00 0.00 H new ATOM 404 N GLN A 104 2.546 0.174 7.389 1.00 0.00 N ATOM 405 CA GLN A 104 2.531 0.941 8.631 1.00 0.00 C ATOM 406 C GLN A 104 2.013 2.353 8.369 1.00 0.00 C ATOM 407 O GLN A 104 2.734 3.338 8.521 1.00 0.00 O ATOM 408 CB GLN A 104 3.924 0.991 9.270 1.00 0.00 C ATOM 409 CG GLN A 104 5.061 1.104 8.267 1.00 0.00 C ATOM 410 CD GLN A 104 6.119 2.113 8.676 1.00 0.00 C ATOM 411 OE1 GLN A 104 6.015 2.638 9.887 1.00 0.00 O flip ATOM 412 NE2 GLN A 104 7.029 2.413 7.908 1.00 0.00 N flip ATOM 0 H GLN A 104 3.462 0.100 6.947 1.00 0.00 H new ATOM 0 HA GLN A 104 1.861 0.442 9.331 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.969 1.840 9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.070 0.092 9.869 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.528 0.127 8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.654 1.387 7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.076 1.987 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.738 3.088 8.196 1.00 0.00 H new ATOM 421 N GLY A 105 0.759 2.428 7.955 1.00 0.00 N ATOM 422 CA GLY A 105 0.141 3.696 7.645 1.00 0.00 C ATOM 423 C GLY A 105 -1.184 3.505 6.941 1.00 0.00 C ATOM 424 O GLY A 105 -2.185 3.168 7.575 1.00 0.00 O ATOM 0 H GLY A 105 0.151 1.619 7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.011 4.263 8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.808 4.284 7.015 1.00 0.00 H new ATOM 428 N ASN A 106 -1.191 3.695 5.629 1.00 0.00 N ATOM 429 CA ASN A 106 -2.408 3.528 4.849 1.00 0.00 C ATOM 430 C ASN A 106 -2.472 2.129 4.240 1.00 0.00 C ATOM 431 O ASN A 106 -1.551 1.325 4.403 1.00 0.00 O ATOM 432 CB ASN A 106 -2.504 4.600 3.758 1.00 0.00 C ATOM 433 CG ASN A 106 -3.811 5.369 3.824 1.00 0.00 C ATOM 434 OD1 ASN A 106 -4.232 5.816 4.890 1.00 0.00 O ATOM 435 ND2 ASN A 106 -4.463 5.527 2.684 1.00 0.00 N ATOM 0 H ASN A 106 -0.371 3.964 5.085 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.260 3.647 5.518 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.670 5.295 3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.410 4.129 2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.348 6.035 2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.081 5.141 1.820 1.00 0.00 H new ATOM 442 N VAL A 107 -3.558 1.845 3.537 1.00 0.00 N ATOM 443 CA VAL A 107 -3.796 0.511 3.015 1.00 0.00 C ATOM 444 C VAL A 107 -4.000 0.526 1.498 1.00 0.00 C ATOM 445 O VAL A 107 -4.569 1.468 0.938 1.00 0.00 O ATOM 446 CB VAL A 107 -5.019 -0.136 3.713 1.00 0.00 C ATOM 447 CG1 VAL A 107 -6.282 0.679 3.479 1.00 0.00 C ATOM 448 CG2 VAL A 107 -5.212 -1.573 3.257 1.00 0.00 C ATOM 0 H VAL A 107 -4.288 2.522 3.316 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.909 -0.086 3.227 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.820 -0.145 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.123 0.200 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.146 1.684 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.484 0.738 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.077 -2.002 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.374 -1.594 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.323 -2.155 3.501 1.00 0.00 H new ATOM 458 N TYR A 108 -3.493 -0.512 0.844 1.00 0.00 N ATOM 459 CA TYR A 108 -3.693 -0.718 -0.580 1.00 0.00 C ATOM 460 C TYR A 108 -4.225 -2.129 -0.789 1.00 0.00 C ATOM 461 O TYR A 108 -4.514 -2.826 0.180 1.00 0.00 O ATOM 462 CB TYR A 108 -2.378 -0.547 -1.357 1.00 0.00 C ATOM 463 CG TYR A 108 -1.675 0.777 -1.131 1.00 0.00 C ATOM 464 CD1 TYR A 108 -0.922 1.001 0.017 1.00 0.00 C ATOM 465 CD2 TYR A 108 -1.758 1.801 -2.066 1.00 0.00 C ATOM 466 CE1 TYR A 108 -0.279 2.207 0.228 1.00 0.00 C ATOM 467 CE2 TYR A 108 -1.115 3.010 -1.863 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.377 3.207 -0.715 1.00 0.00 C ATOM 469 OH TYR A 108 0.260 4.412 -0.506 1.00 0.00 O ATOM 0 H TYR A 108 -2.930 -1.236 1.291 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.401 0.023 -0.951 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.700 -1.354 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -2.584 -0.656 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.838 0.219 0.757 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.334 1.651 -2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.297 2.364 1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.191 3.795 -2.600 1.00 0.00 H new ATOM 0 HH TYR A 108 0.091 5.007 -1.266 1.00 0.00 H new ATOM 479 N HIS A 109 -4.335 -2.560 -2.034 1.00 0.00 N ATOM 480 CA HIS A 109 -4.689 -3.945 -2.328 1.00 0.00 C ATOM 481 C HIS A 109 -3.396 -4.710 -2.615 1.00 0.00 C ATOM 482 O HIS A 109 -2.311 -4.220 -2.313 1.00 0.00 O ATOM 483 CB HIS A 109 -5.651 -4.045 -3.524 1.00 0.00 C ATOM 484 CG HIS A 109 -6.974 -3.347 -3.341 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.195 -2.053 -3.772 1.00 0.00 N ATOM 486 CD2 HIS A 109 -8.122 -3.819 -2.786 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.449 -1.772 -3.474 1.00 0.00 C ATOM 488 NE2 HIS A 109 -9.054 -2.814 -2.877 1.00 0.00 N ATOM 0 H HIS A 109 -4.186 -1.976 -2.857 1.00 0.00 H new ATOM 0 HA HIS A 109 -5.208 -4.375 -1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -5.158 -3.630 -4.403 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.839 -5.098 -3.732 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -8.272 -4.798 -2.355 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.928 -0.827 -3.683 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -10.021 -2.851 -2.553 1.00 0.00 H new ATOM 496 N LEU A 110 -3.496 -5.894 -3.206 1.00 0.00 N ATOM 497 CA LEU A 110 -2.303 -6.702 -3.477 1.00 0.00 C ATOM 498 C LEU A 110 -1.603 -6.253 -4.764 1.00 0.00 C ATOM 499 O LEU A 110 -0.409 -6.482 -4.946 1.00 0.00 O ATOM 500 CB LEU A 110 -2.662 -8.189 -3.572 1.00 0.00 C ATOM 501 CG LEU A 110 -3.701 -8.547 -4.634 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.045 -9.228 -5.826 1.00 0.00 C ATOM 503 CD2 LEU A 110 -4.772 -9.442 -4.036 1.00 0.00 C ATOM 0 H LEU A 110 -4.375 -6.316 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.616 -6.555 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.751 -8.753 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.032 -8.519 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.167 -7.626 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.805 -9.473 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.308 -8.557 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.551 -10.142 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.507 -9.691 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.314 -10.357 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.265 -8.921 -3.215 1.00 0.00 H new ATOM 515 N LYS A 111 -2.360 -5.616 -5.649 1.00 0.00 N ATOM 516 CA LYS A 111 -1.859 -5.215 -6.965 1.00 0.00 C ATOM 517 C LYS A 111 -1.263 -3.807 -6.921 1.00 0.00 C ATOM 518 O LYS A 111 -0.330 -3.488 -7.657 1.00 0.00 O ATOM 519 CB LYS A 111 -3.004 -5.268 -7.994 1.00 0.00 C ATOM 520 CG LYS A 111 -4.204 -6.098 -7.540 1.00 0.00 C ATOM 521 CD LYS A 111 -5.527 -5.423 -7.879 1.00 0.00 C ATOM 522 CE LYS A 111 -6.500 -5.482 -6.708 1.00 0.00 C ATOM 523 NZ LYS A 111 -7.738 -6.244 -7.037 1.00 0.00 N ATOM 0 H LYS A 111 -3.333 -5.362 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.071 -5.908 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.336 -4.252 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.622 -5.680 -8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.166 -7.079 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.146 -6.261 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.347 -4.383 -8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.972 -5.908 -8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.008 -5.945 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.769 -4.468 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.424 -6.143 -6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.151 -5.872 -7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.504 -7.249 -7.163 1.00 0.00 H new ATOM 537 N CYS A 112 -1.811 -2.981 -6.047 1.00 0.00 N ATOM 538 CA CYS A 112 -1.423 -1.583 -5.923 1.00 0.00 C ATOM 539 C CYS A 112 -0.119 -1.422 -5.138 1.00 0.00 C ATOM 540 O CYS A 112 0.426 -0.322 -5.035 1.00 0.00 O ATOM 541 CB CYS A 112 -2.572 -0.867 -5.232 1.00 0.00 C ATOM 542 SG CYS A 112 -3.951 -2.005 -4.917 1.00 0.00 S ATOM 0 H CYS A 112 -2.545 -3.262 -5.397 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.233 -1.155 -6.907 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.226 -0.440 -4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.914 -0.038 -5.852 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.022 -1.563 -5.507 1.00 0.00 H new ATOM 547 N PHE A 113 0.383 -2.529 -4.596 1.00 0.00 N ATOM 548 CA PHE A 113 1.625 -2.516 -3.828 1.00 0.00 C ATOM 549 C PHE A 113 2.826 -2.371 -4.757 1.00 0.00 C ATOM 550 O PHE A 113 3.538 -3.337 -5.043 1.00 0.00 O ATOM 551 CB PHE A 113 1.755 -3.786 -2.976 1.00 0.00 C ATOM 552 CG PHE A 113 2.182 -3.510 -1.559 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.936 -2.275 -0.979 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.835 -4.479 -0.807 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.330 -2.010 0.317 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.230 -4.217 0.493 1.00 0.00 C ATOM 557 CZ PHE A 113 2.979 -2.982 1.054 1.00 0.00 C ATOM 0 H PHE A 113 -0.052 -3.448 -4.675 1.00 0.00 H new ATOM 0 HA PHE A 113 1.600 -1.658 -3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.798 -4.308 -2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.478 -4.456 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.429 -1.510 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.036 -5.447 -1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.131 -1.043 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.735 -4.979 1.068 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.289 -2.775 2.068 1.00 0.00 H new ATOM 567 N THR A 114 3.034 -1.155 -5.229 1.00 0.00 N ATOM 568 CA THR A 114 4.135 -0.851 -6.124 1.00 0.00 C ATOM 569 C THR A 114 4.732 0.504 -5.766 1.00 0.00 C ATOM 570 O THR A 114 4.055 1.337 -5.159 1.00 0.00 O ATOM 571 CB THR A 114 3.666 -0.819 -7.593 1.00 0.00 C ATOM 572 OG1 THR A 114 2.285 -0.439 -7.667 1.00 0.00 O ATOM 573 CG2 THR A 114 3.848 -2.172 -8.260 1.00 0.00 C ATOM 0 H THR A 114 2.446 -0.353 -5.003 1.00 0.00 H new ATOM 0 HA THR A 114 4.885 -1.634 -6.012 1.00 0.00 H new ATOM 0 HB THR A 114 4.278 -0.085 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.771 -1.156 -8.094 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.508 -2.116 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.902 -2.449 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.265 -2.922 -7.726 1.00 0.00 H new ATOM 581 N CYS A 115 5.995 0.714 -6.119 1.00 0.00 N ATOM 582 CA CYS A 115 6.637 2.002 -5.920 1.00 0.00 C ATOM 583 C CYS A 115 5.855 3.121 -6.592 1.00 0.00 C ATOM 584 O CYS A 115 5.253 2.932 -7.652 1.00 0.00 O ATOM 585 CB CYS A 115 8.049 1.973 -6.479 1.00 0.00 C ATOM 586 SG CYS A 115 9.145 0.790 -5.654 1.00 0.00 S ATOM 0 H CYS A 115 6.593 0.006 -6.545 1.00 0.00 H new ATOM 0 HA CYS A 115 6.667 2.195 -4.848 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.003 1.731 -7.541 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.481 2.970 -6.398 1.00 0.00 H new ATOM 0 HG CYS A 115 10.336 1.300 -5.553 1.00 0.00 H new ATOM 591 N SER A 116 5.889 4.291 -5.980 1.00 0.00 N ATOM 592 CA SER A 116 5.180 5.442 -6.507 1.00 0.00 C ATOM 593 C SER A 116 6.015 6.167 -7.561 1.00 0.00 C ATOM 594 O SER A 116 5.482 6.905 -8.388 1.00 0.00 O ATOM 595 CB SER A 116 4.809 6.389 -5.367 1.00 0.00 C ATOM 596 OG SER A 116 4.686 5.673 -4.146 1.00 0.00 O ATOM 0 H SER A 116 6.401 4.469 -5.116 1.00 0.00 H new ATOM 0 HA SER A 116 4.267 5.095 -6.990 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.570 7.163 -5.267 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.870 6.893 -5.596 1.00 0.00 H new ATOM 0 HG SER A 116 4.297 6.257 -3.462 1.00 0.00 H new ATOM 602 N THR A 117 7.325 5.944 -7.537 1.00 0.00 N ATOM 603 CA THR A 117 8.220 6.602 -8.476 1.00 0.00 C ATOM 604 C THR A 117 8.740 5.637 -9.538 1.00 0.00 C ATOM 605 O THR A 117 8.615 5.896 -10.739 1.00 0.00 O ATOM 606 CB THR A 117 9.422 7.209 -7.736 1.00 0.00 C ATOM 607 OG1 THR A 117 9.318 6.930 -6.333 1.00 0.00 O ATOM 608 CG2 THR A 117 9.502 8.710 -7.958 1.00 0.00 C ATOM 0 H THR A 117 7.787 5.315 -6.880 1.00 0.00 H new ATOM 0 HA THR A 117 7.643 7.386 -8.966 1.00 0.00 H new ATOM 0 HB THR A 117 10.331 6.758 -8.133 1.00 0.00 H new ATOM 0 HG1 THR A 117 9.870 6.151 -6.113 1.00 0.00 H new ATOM 0 HG21 THR A 117 10.362 9.112 -7.422 1.00 0.00 H new ATOM 0 HG22 THR A 117 9.610 8.915 -9.023 1.00 0.00 H new ATOM 0 HG23 THR A 117 8.592 9.182 -7.588 1.00 0.00 H new ATOM 616 N CYS A 118 9.298 4.514 -9.100 1.00 0.00 N ATOM 617 CA CYS A 118 9.936 3.581 -10.012 1.00 0.00 C ATOM 618 C CYS A 118 8.964 2.477 -10.440 1.00 0.00 C ATOM 619 O CYS A 118 9.148 1.837 -11.477 1.00 0.00 O ATOM 620 CB CYS A 118 11.207 3.028 -9.350 1.00 0.00 C ATOM 621 SG CYS A 118 11.167 1.273 -8.881 1.00 0.00 S ATOM 0 H CYS A 118 9.320 4.231 -8.120 1.00 0.00 H new ATOM 0 HA CYS A 118 10.225 4.096 -10.928 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.043 3.182 -10.032 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.412 3.617 -8.456 1.00 0.00 H new ATOM 0 HG CYS A 118 10.444 1.126 -7.810 1.00 0.00 H new ATOM 626 N ARG A 119 7.915 2.305 -9.642 1.00 0.00 N ATOM 627 CA ARG A 119 6.830 1.361 -9.922 1.00 0.00 C ATOM 628 C ARG A 119 7.268 -0.096 -9.817 1.00 0.00 C ATOM 629 O ARG A 119 6.637 -0.980 -10.404 1.00 0.00 O ATOM 630 CB ARG A 119 6.216 1.625 -11.295 1.00 0.00 C ATOM 631 CG ARG A 119 4.953 2.459 -11.234 1.00 0.00 C ATOM 632 CD ARG A 119 3.814 1.703 -10.568 1.00 0.00 C ATOM 633 NE ARG A 119 2.517 2.109 -11.108 1.00 0.00 N ATOM 634 CZ ARG A 119 1.406 1.377 -11.045 1.00 0.00 C ATOM 635 NH1 ARG A 119 1.389 0.226 -10.380 1.00 0.00 N ATOM 636 NH2 ARG A 119 0.301 1.827 -11.619 1.00 0.00 N ATOM 0 H ARG A 119 7.790 2.822 -8.772 1.00 0.00 H new ATOM 0 HA ARG A 119 6.076 1.527 -9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.949 2.133 -11.922 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.992 0.672 -11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 119 5.150 3.379 -10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.658 2.748 -12.243 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.952 0.632 -10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.835 1.883 -9.493 1.00 0.00 H new ATOM 0 HE ARG A 119 2.459 3.019 -11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.232 -0.105 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.533 -0.326 -10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.307 2.725 -12.103 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.556 1.276 -11.578 1.00 0.00 H new ATOM 650 N ASN A 120 8.338 -0.349 -9.083 1.00 0.00 N ATOM 651 CA ASN A 120 8.735 -1.718 -8.772 1.00 0.00 C ATOM 652 C ASN A 120 7.655 -2.381 -7.925 1.00 0.00 C ATOM 653 O ASN A 120 7.180 -1.797 -6.949 1.00 0.00 O ATOM 654 CB ASN A 120 10.063 -1.730 -8.012 1.00 0.00 C ATOM 655 CG ASN A 120 11.137 -2.549 -8.707 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.885 -3.189 -9.731 1.00 0.00 O ATOM 657 ND2 ASN A 120 12.345 -2.529 -8.156 1.00 0.00 N ATOM 0 H ASN A 120 8.947 0.369 -8.691 1.00 0.00 H new ATOM 0 HA ASN A 120 8.860 -2.269 -9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 120 10.416 -0.706 -7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.899 -2.130 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 120 13.108 -3.057 -8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 120 12.510 -1.986 -7.308 1.00 0.00 H new ATOM 664 N ARG A 121 7.227 -3.573 -8.313 1.00 0.00 N ATOM 665 CA ARG A 121 6.241 -4.295 -7.523 1.00 0.00 C ATOM 666 C ARG A 121 6.911 -4.953 -6.328 1.00 0.00 C ATOM 667 O ARG A 121 7.655 -5.923 -6.474 1.00 0.00 O ATOM 668 CB ARG A 121 5.491 -5.343 -8.357 1.00 0.00 C ATOM 669 CG ARG A 121 4.456 -6.126 -7.547 1.00 0.00 C ATOM 670 CD ARG A 121 3.153 -6.338 -8.311 1.00 0.00 C ATOM 671 NE ARG A 121 2.553 -7.640 -8.010 1.00 0.00 N ATOM 672 CZ ARG A 121 1.877 -8.377 -8.892 1.00 0.00 C ATOM 673 NH1 ARG A 121 1.724 -7.959 -10.143 1.00 0.00 N ATOM 674 NH2 ARG A 121 1.358 -9.539 -8.520 1.00 0.00 N ATOM 0 H ARG A 121 7.540 -4.055 -9.156 1.00 0.00 H new ATOM 0 HA ARG A 121 5.505 -3.571 -7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.992 -4.847 -9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 121 6.211 -6.040 -8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 121 4.873 -7.095 -7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.247 -5.593 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.449 -5.546 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.343 -6.264 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 121 2.659 -8.007 -7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.125 -7.068 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.205 -8.529 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.476 -9.867 -7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.840 -10.105 -9.192 1.00 0.00 H new ATOM 688 N LEU A 122 6.657 -4.397 -5.154 1.00 0.00 N ATOM 689 CA LEU A 122 7.184 -4.943 -3.917 1.00 0.00 C ATOM 690 C LEU A 122 6.602 -6.329 -3.687 1.00 0.00 C ATOM 691 O LEU A 122 5.420 -6.560 -3.940 1.00 0.00 O ATOM 692 CB LEU A 122 6.851 -4.012 -2.754 1.00 0.00 C ATOM 693 CG LEU A 122 6.999 -2.519 -3.070 1.00 0.00 C ATOM 694 CD1 LEU A 122 6.383 -1.673 -1.970 1.00 0.00 C ATOM 695 CD2 LEU A 122 8.464 -2.157 -3.262 1.00 0.00 C ATOM 0 H LEU A 122 6.084 -3.562 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 122 8.269 -5.027 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.826 -4.203 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.498 -4.258 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 122 6.467 -2.313 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.499 -0.617 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 122 5.323 -1.910 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.884 -1.884 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.550 -1.094 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.017 -2.382 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.877 -2.736 -4.088 1.00 0.00 H new ATOM 707 N VAL A 123 7.429 -7.247 -3.215 1.00 0.00 N ATOM 708 CA VAL A 123 7.040 -8.649 -3.150 1.00 0.00 C ATOM 709 C VAL A 123 7.127 -9.158 -1.721 1.00 0.00 C ATOM 710 O VAL A 123 8.126 -8.926 -1.041 1.00 0.00 O ATOM 711 CB VAL A 123 7.931 -9.515 -4.083 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.989 -10.973 -3.627 1.00 0.00 C ATOM 713 CG2 VAL A 123 7.435 -9.423 -5.517 1.00 0.00 C ATOM 0 H VAL A 123 8.369 -7.050 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 123 6.007 -8.730 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 123 8.945 -9.120 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.622 -11.542 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.402 -11.023 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.984 -11.395 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.068 -10.034 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 123 6.408 -9.783 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 123 7.474 -8.386 -5.850 1.00 0.00 H new ATOM 723 N PRO A 124 6.077 -9.853 -1.246 1.00 0.00 N ATOM 724 CA PRO A 124 6.048 -10.410 0.104 1.00 0.00 C ATOM 725 C PRO A 124 7.247 -11.313 0.355 1.00 0.00 C ATOM 726 O PRO A 124 7.357 -12.391 -0.228 1.00 0.00 O ATOM 727 CB PRO A 124 4.744 -11.216 0.138 1.00 0.00 C ATOM 728 CG PRO A 124 3.898 -10.633 -0.936 1.00 0.00 C ATOM 729 CD PRO A 124 4.845 -10.150 -1.997 1.00 0.00 C ATOM 0 HA PRO A 124 6.093 -9.640 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.931 -12.275 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.257 -11.136 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.210 -11.377 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.292 -9.813 -0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.013 -10.909 -2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.461 -9.265 -2.505 1.00 0.00 H new ATOM 737 N GLY A 125 8.147 -10.860 1.214 1.00 0.00 N ATOM 738 CA GLY A 125 9.352 -11.612 1.488 1.00 0.00 C ATOM 739 C GLY A 125 10.598 -10.935 0.945 1.00 0.00 C ATOM 740 O GLY A 125 11.715 -11.270 1.341 1.00 0.00 O ATOM 0 H GLY A 125 8.064 -9.983 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.456 -11.746 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.263 -12.606 1.050 1.00 0.00 H new ATOM 744 N ASP A 126 10.415 -9.981 0.042 1.00 0.00 N ATOM 745 CA ASP A 126 11.537 -9.255 -0.543 1.00 0.00 C ATOM 746 C ASP A 126 11.468 -7.773 -0.179 1.00 0.00 C ATOM 747 O ASP A 126 10.890 -7.411 0.845 1.00 0.00 O ATOM 748 CB ASP A 126 11.580 -9.440 -2.067 1.00 0.00 C ATOM 749 CG ASP A 126 12.993 -9.346 -2.617 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.829 -10.215 -2.290 1.00 0.00 O ATOM 751 OD2 ASP A 126 13.281 -8.390 -3.363 1.00 0.00 O ATOM 0 H ASP A 126 9.500 -9.691 -0.302 1.00 0.00 H new ATOM 0 HA ASP A 126 12.458 -9.667 -0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.155 -10.410 -2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.956 -8.682 -2.541 1.00 0.00 H new ATOM 756 N ARG A 127 12.042 -6.923 -1.023 1.00 0.00 N ATOM 757 CA ARG A 127 12.210 -5.507 -0.699 1.00 0.00 C ATOM 758 C ARG A 127 10.903 -4.724 -0.790 1.00 0.00 C ATOM 759 O ARG A 127 10.087 -4.947 -1.683 1.00 0.00 O ATOM 760 CB ARG A 127 13.251 -4.870 -1.626 1.00 0.00 C ATOM 761 CG ARG A 127 14.691 -5.150 -1.226 1.00 0.00 C ATOM 762 CD ARG A 127 15.446 -5.875 -2.332 1.00 0.00 C ATOM 763 NE ARG A 127 15.427 -7.321 -2.141 1.00 0.00 N ATOM 764 CZ ARG A 127 16.326 -7.995 -1.424 1.00 0.00 C ATOM 765 NH1 ARG A 127 17.340 -7.361 -0.841 1.00 0.00 N ATOM 766 NH2 ARG A 127 16.198 -9.306 -1.272 1.00 0.00 N ATOM 0 H ARG A 127 12.401 -7.189 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 127 12.551 -5.461 0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.090 -5.234 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.093 -3.792 -1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.195 -4.211 -0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.707 -5.752 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.002 -5.630 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.478 -5.525 -2.358 1.00 0.00 H new ATOM 0 HE ARG A 127 14.677 -7.851 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.435 -6.350 -0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.023 -7.886 -0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 127 15.414 -9.795 -1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.884 -9.825 -0.724 1.00 0.00 H new ATOM 780 N PHE A 128 10.720 -3.826 0.172 1.00 0.00 N ATOM 781 CA PHE A 128 9.635 -2.852 0.154 1.00 0.00 C ATOM 782 C PHE A 128 10.021 -1.677 1.045 1.00 0.00 C ATOM 783 O PHE A 128 10.697 -1.867 2.048 1.00 0.00 O ATOM 784 CB PHE A 128 8.322 -3.500 0.625 1.00 0.00 C ATOM 785 CG PHE A 128 7.644 -2.821 1.789 1.00 0.00 C ATOM 786 CD1 PHE A 128 7.991 -3.136 3.093 1.00 0.00 C ATOM 787 CD2 PHE A 128 6.648 -1.881 1.576 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.363 -2.523 4.161 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.014 -1.268 2.637 1.00 0.00 C ATOM 790 CZ PHE A 128 6.373 -1.589 3.933 1.00 0.00 C ATOM 0 H PHE A 128 11.324 -3.753 0.991 1.00 0.00 H new ATOM 0 HA PHE A 128 9.473 -2.494 -0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 128 7.627 -3.523 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.526 -4.535 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.762 -3.870 3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.364 -1.625 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.647 -2.775 5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.239 -0.539 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 128 5.880 -1.110 4.766 1.00 0.00 H new ATOM 800 N HIS A 129 9.628 -0.470 0.679 1.00 0.00 N ATOM 801 CA HIS A 129 9.935 0.688 1.504 1.00 0.00 C ATOM 802 C HIS A 129 8.739 1.625 1.615 1.00 0.00 C ATOM 803 O HIS A 129 8.224 2.117 0.612 1.00 0.00 O ATOM 804 CB HIS A 129 11.149 1.442 0.950 1.00 0.00 C ATOM 805 CG HIS A 129 12.436 1.079 1.624 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.460 0.319 1.169 1.00 0.00 N flip ATOM 807 CD2 HIS A 129 12.727 1.502 2.899 1.00 0.00 C flip ATOM 808 CE1 HIS A 129 14.396 0.260 2.175 1.00 0.00 C flip ATOM 809 NE2 HIS A 129 13.910 0.990 3.192 1.00 0.00 N flip ATOM 0 H HIS A 129 9.103 -0.266 -0.171 1.00 0.00 H new ATOM 0 HA HIS A 129 10.173 0.325 2.504 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.237 1.239 -0.117 1.00 0.00 H new ATOM 0 HB3 HIS A 129 10.981 2.514 1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.114 2.126 3.533 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.337 -0.269 2.152 1.00 0.00 H new ATOM 0 HE2 HIS A 129 14.393 1.132 4.079 1.00 0.00 H new ATOM 817 N TYR A 130 8.292 1.842 2.844 1.00 0.00 N ATOM 818 CA TYR A 130 7.230 2.790 3.128 1.00 0.00 C ATOM 819 C TYR A 130 7.795 3.913 3.986 1.00 0.00 C ATOM 820 O TYR A 130 7.978 3.757 5.194 1.00 0.00 O ATOM 821 CB TYR A 130 6.081 2.086 3.865 1.00 0.00 C ATOM 822 CG TYR A 130 4.736 2.780 3.766 1.00 0.00 C ATOM 823 CD1 TYR A 130 4.097 2.943 2.543 1.00 0.00 C ATOM 824 CD2 TYR A 130 4.103 3.255 4.906 1.00 0.00 C ATOM 825 CE1 TYR A 130 2.864 3.561 2.461 1.00 0.00 C ATOM 826 CE2 TYR A 130 2.868 3.872 4.834 1.00 0.00 C ATOM 827 CZ TYR A 130 2.253 4.023 3.606 1.00 0.00 C ATOM 828 OH TYR A 130 1.023 4.634 3.527 1.00 0.00 O ATOM 0 H TYR A 130 8.656 1.366 3.669 1.00 0.00 H new ATOM 0 HA TYR A 130 6.840 3.200 2.196 1.00 0.00 H new ATOM 0 HB2 TYR A 130 5.981 1.075 3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 130 6.348 1.992 4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.571 2.581 1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 130 4.584 3.141 5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 130 2.381 3.681 1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.387 4.233 5.731 1.00 0.00 H new ATOM 0 HH TYR A 130 0.523 4.265 2.769 1.00 0.00 H new ATOM 838 N ILE A 131 8.082 5.042 3.361 1.00 0.00 N ATOM 839 CA ILE A 131 8.665 6.169 4.071 1.00 0.00 C ATOM 840 C ILE A 131 7.843 7.427 3.842 1.00 0.00 C ATOM 841 O ILE A 131 7.555 7.788 2.700 1.00 0.00 O ATOM 842 CB ILE A 131 10.132 6.433 3.654 1.00 0.00 C ATOM 843 CG1 ILE A 131 10.728 5.219 2.927 1.00 0.00 C ATOM 844 CG2 ILE A 131 10.961 6.780 4.881 1.00 0.00 C ATOM 845 CD1 ILE A 131 11.999 5.527 2.166 1.00 0.00 C ATOM 0 H ILE A 131 7.922 5.203 2.367 1.00 0.00 H new ATOM 0 HA ILE A 131 8.658 5.909 5.130 1.00 0.00 H new ATOM 0 HB ILE A 131 10.149 7.275 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 131 10.933 4.435 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 131 9.987 4.823 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 131 11.993 6.965 4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.554 7.674 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 131 10.931 5.950 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.360 4.621 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.796 6.288 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 131 12.757 5.894 2.858 1.00 0.00 H new ATOM 857 N ASN A 132 7.444 8.068 4.940 1.00 0.00 N ATOM 858 CA ASN A 132 6.624 9.280 4.892 1.00 0.00 C ATOM 859 C ASN A 132 5.306 9.026 4.161 1.00 0.00 C ATOM 860 O ASN A 132 4.702 9.945 3.612 1.00 0.00 O ATOM 861 CB ASN A 132 7.387 10.430 4.226 1.00 0.00 C ATOM 862 CG ASN A 132 6.988 11.788 4.777 1.00 0.00 C ATOM 863 OD1 ASN A 132 6.934 11.987 5.989 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.713 12.733 3.888 1.00 0.00 N ATOM 0 H ASN A 132 7.679 7.764 5.885 1.00 0.00 H new ATOM 0 HA ASN A 132 6.396 9.564 5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.457 10.283 4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.204 10.409 3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.445 13.666 4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.770 12.527 2.891 1.00 0.00 H new ATOM 871 N GLY A 133 4.862 7.772 4.166 1.00 0.00 N ATOM 872 CA GLY A 133 3.620 7.424 3.505 1.00 0.00 C ATOM 873 C GLY A 133 3.780 7.302 2.003 1.00 0.00 C ATOM 874 O GLY A 133 2.886 7.678 1.245 1.00 0.00 O ATOM 0 H GLY A 133 5.341 6.992 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.250 6.480 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.868 8.182 3.727 1.00 0.00 H new ATOM 878 N SER A 134 4.924 6.787 1.571 1.00 0.00 N ATOM 879 CA SER A 134 5.201 6.640 0.150 1.00 0.00 C ATOM 880 C SER A 134 5.896 5.310 -0.099 1.00 0.00 C ATOM 881 O SER A 134 6.604 4.807 0.777 1.00 0.00 O ATOM 882 CB SER A 134 6.065 7.802 -0.346 1.00 0.00 C ATOM 883 OG SER A 134 6.084 8.860 0.598 1.00 0.00 O ATOM 0 H SER A 134 5.673 6.465 2.184 1.00 0.00 H new ATOM 0 HA SER A 134 4.262 6.656 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.082 7.453 -0.527 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.679 8.166 -1.298 1.00 0.00 H new ATOM 0 HG SER A 134 6.625 8.598 1.372 1.00 0.00 H new ATOM 889 N LEU A 135 5.691 4.742 -1.278 1.00 0.00 N ATOM 890 CA LEU A 135 6.211 3.418 -1.584 1.00 0.00 C ATOM 891 C LEU A 135 7.431 3.494 -2.494 1.00 0.00 C ATOM 892 O LEU A 135 7.376 4.088 -3.575 1.00 0.00 O ATOM 893 CB LEU A 135 5.125 2.559 -2.233 1.00 0.00 C ATOM 894 CG LEU A 135 3.998 2.124 -1.296 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.781 1.685 -2.094 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.471 1.007 -0.376 1.00 0.00 C ATOM 0 H LEU A 135 5.168 5.177 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 135 6.520 2.957 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.692 3.115 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.591 1.668 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 135 3.712 2.976 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.989 1.379 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.430 2.514 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.050 0.847 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.656 0.710 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.784 0.151 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.312 1.359 0.222 1.00 0.00 H new ATOM 908 N PHE A 136 8.526 2.909 -2.027 1.00 0.00 N ATOM 909 CA PHE A 136 9.772 2.817 -2.784 1.00 0.00 C ATOM 910 C PHE A 136 10.364 1.422 -2.593 1.00 0.00 C ATOM 911 O PHE A 136 9.803 0.607 -1.858 1.00 0.00 O ATOM 912 CB PHE A 136 10.791 3.867 -2.307 1.00 0.00 C ATOM 913 CG PHE A 136 10.242 5.263 -2.202 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.118 6.063 -3.328 1.00 0.00 C ATOM 915 CD2 PHE A 136 9.860 5.779 -0.973 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.621 7.348 -3.229 1.00 0.00 C ATOM 917 CE2 PHE A 136 9.362 7.064 -0.870 1.00 0.00 C ATOM 918 CZ PHE A 136 9.243 7.849 -2.000 1.00 0.00 C ATOM 0 H PHE A 136 8.577 2.480 -1.103 1.00 0.00 H new ATOM 0 HA PHE A 136 9.555 3.002 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.175 3.566 -1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.637 3.873 -2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.413 5.677 -4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 136 9.953 5.170 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.528 7.961 -4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.066 7.454 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 136 8.855 8.854 -1.922 1.00 0.00 H new ATOM 928 N CYS A 137 11.491 1.143 -3.236 1.00 0.00 N ATOM 929 CA CYS A 137 12.184 -0.120 -3.025 1.00 0.00 C ATOM 930 C CYS A 137 13.659 0.136 -2.755 1.00 0.00 C ATOM 931 O CYS A 137 14.040 1.204 -2.274 1.00 0.00 O ATOM 932 CB CYS A 137 12.028 -1.054 -4.233 1.00 0.00 C ATOM 933 SG CYS A 137 12.718 -0.392 -5.784 1.00 0.00 S ATOM 0 H CYS A 137 11.941 1.770 -3.903 1.00 0.00 H new ATOM 0 HA CYS A 137 11.735 -0.609 -2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 137 12.514 -2.004 -4.009 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.969 -1.265 -4.381 1.00 0.00 H new ATOM 0 HG CYS A 137 12.419 0.869 -5.888 1.00 0.00 H new ATOM 938 N GLU A 138 14.479 -0.846 -3.085 1.00 0.00 N ATOM 939 CA GLU A 138 15.917 -0.743 -2.925 1.00 0.00 C ATOM 940 C GLU A 138 16.520 0.100 -4.047 1.00 0.00 C ATOM 941 O GLU A 138 17.549 0.749 -3.862 1.00 0.00 O ATOM 942 CB GLU A 138 16.542 -2.141 -2.923 1.00 0.00 C ATOM 943 CG GLU A 138 17.323 -2.470 -1.662 1.00 0.00 C ATOM 944 CD GLU A 138 18.135 -3.744 -1.803 1.00 0.00 C ATOM 945 OE1 GLU A 138 18.961 -3.827 -2.732 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.939 -4.674 -0.995 1.00 0.00 O ATOM 0 H GLU A 138 14.166 -1.737 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 138 16.130 -0.256 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 138 15.752 -2.881 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 138 17.206 -2.232 -3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 138 17.990 -1.641 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 138 16.632 -2.573 -0.826 1.00 0.00 H new ATOM 953 N HIS A 139 15.852 0.112 -5.198 1.00 0.00 N ATOM 954 CA HIS A 139 16.406 0.729 -6.401 1.00 0.00 C ATOM 955 C HIS A 139 16.150 2.234 -6.444 1.00 0.00 C ATOM 956 O HIS A 139 17.084 3.022 -6.587 1.00 0.00 O ATOM 957 CB HIS A 139 15.826 0.061 -7.652 1.00 0.00 C ATOM 958 CG HIS A 139 16.702 0.190 -8.858 1.00 0.00 C ATOM 959 ND1 HIS A 139 16.244 0.749 -10.027 1.00 0.00 N ATOM 960 CD2 HIS A 139 17.992 -0.189 -9.026 1.00 0.00 C ATOM 961 CE1 HIS A 139 17.258 0.694 -10.874 1.00 0.00 C ATOM 962 NE2 HIS A 139 18.338 0.138 -10.313 1.00 0.00 N ATOM 0 H HIS A 139 14.927 -0.298 -5.323 1.00 0.00 H new ATOM 0 HA HIS A 139 17.486 0.581 -6.376 1.00 0.00 H new ATOM 0 HB2 HIS A 139 15.659 -0.996 -7.445 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.853 0.501 -7.871 1.00 0.00 H new ATOM 0 HD2 HIS A 139 18.626 -0.658 -8.289 1.00 0.00 H new ATOM 0 HE1 HIS A 139 17.219 1.053 -11.892 1.00 0.00 H new ATOM 0 HE2 HIS A 139 19.244 -0.014 -10.757 1.00 0.00 H new ATOM 970 N ASP A 140 14.893 2.639 -6.294 1.00 0.00 N ATOM 971 CA ASP A 140 14.537 4.060 -6.353 1.00 0.00 C ATOM 972 C ASP A 140 14.463 4.658 -4.949 1.00 0.00 C ATOM 973 O ASP A 140 13.719 5.603 -4.687 1.00 0.00 O ATOM 974 CB ASP A 140 13.226 4.273 -7.137 1.00 0.00 C ATOM 975 CG ASP A 140 11.959 3.982 -6.344 1.00 0.00 C ATOM 976 OD1 ASP A 140 11.851 2.876 -5.762 1.00 0.00 O ATOM 977 OD2 ASP A 140 11.077 4.883 -6.288 1.00 0.00 O ATOM 0 H ASP A 140 14.106 2.011 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 140 15.323 4.587 -6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.191 5.305 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.240 3.636 -8.022 1.00 0.00 H new ATOM 982 N ARG A 141 15.288 4.113 -4.063 1.00 0.00 N ATOM 983 CA ARG A 141 15.360 4.555 -2.678 1.00 0.00 C ATOM 984 C ARG A 141 15.809 6.013 -2.595 1.00 0.00 C ATOM 985 O ARG A 141 16.840 6.387 -3.150 1.00 0.00 O ATOM 986 CB ARG A 141 16.326 3.659 -1.907 1.00 0.00 C ATOM 987 CG ARG A 141 15.899 3.393 -0.475 1.00 0.00 C ATOM 988 CD ARG A 141 16.237 1.971 -0.058 1.00 0.00 C ATOM 989 NE ARG A 141 17.486 1.894 0.701 1.00 0.00 N ATOM 990 CZ ARG A 141 18.659 1.526 0.180 1.00 0.00 C ATOM 991 NH1 ARG A 141 18.761 1.212 -1.106 1.00 0.00 N ATOM 992 NH2 ARG A 141 19.736 1.477 0.952 1.00 0.00 N ATOM 0 H ARG A 141 15.927 3.350 -4.287 1.00 0.00 H new ATOM 0 HA ARG A 141 14.367 4.483 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 141 16.423 2.708 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 141 17.313 4.122 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 141 16.394 4.098 0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 141 14.826 3.559 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 141 15.423 1.569 0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 141 16.315 1.344 -0.946 1.00 0.00 H new ATOM 0 HE ARG A 141 17.459 2.137 1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 141 17.938 1.251 -1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 141 19.662 0.932 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 141 19.667 1.720 1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 141 20.634 1.196 0.558 1.00 0.00 H new ATOM 1006 N PRO A 142 15.031 6.851 -1.902 1.00 0.00 N ATOM 1007 CA PRO A 142 15.335 8.271 -1.743 1.00 0.00 C ATOM 1008 C PRO A 142 16.484 8.509 -0.768 1.00 0.00 C ATOM 1009 O PRO A 142 16.439 8.064 0.382 1.00 0.00 O ATOM 1010 CB PRO A 142 14.037 8.872 -1.185 1.00 0.00 C ATOM 1011 CG PRO A 142 13.023 7.770 -1.211 1.00 0.00 C ATOM 1012 CD PRO A 142 13.788 6.483 -1.220 1.00 0.00 C ATOM 0 HA PRO A 142 15.652 8.719 -2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 142 14.184 9.242 -0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 142 13.708 9.718 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 142 12.369 7.825 -0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 142 12.388 7.849 -2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 142 13.974 6.115 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.252 5.697 -1.752 1.00 0.00 H new ATOM 1020 N THR A 143 17.508 9.218 -1.223 1.00 0.00 N ATOM 1021 CA THR A 143 18.665 9.520 -0.394 1.00 0.00 C ATOM 1022 C THR A 143 18.429 10.788 0.433 1.00 0.00 C ATOM 1023 O THR A 143 19.232 11.729 0.412 1.00 0.00 O ATOM 1024 CB THR A 143 19.932 9.688 -1.255 1.00 0.00 C ATOM 1025 OG1 THR A 143 19.594 9.610 -2.650 1.00 0.00 O ATOM 1026 CG2 THR A 143 20.959 8.618 -0.920 1.00 0.00 C ATOM 0 H THR A 143 17.560 9.597 -2.169 1.00 0.00 H new ATOM 0 HA THR A 143 18.811 8.680 0.285 1.00 0.00 H new ATOM 0 HB THR A 143 20.363 10.666 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 143 20.405 9.719 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 143 21.845 8.757 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 143 21.236 8.696 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 143 20.533 7.633 -1.111 1.00 0.00 H new ATOM 1034 N ALA A 144 17.317 10.802 1.162 1.00 0.00 N ATOM 1035 CA ALA A 144 16.947 11.941 1.995 1.00 0.00 C ATOM 1036 C ALA A 144 16.136 11.474 3.195 1.00 0.00 C ATOM 1037 O ALA A 144 16.653 11.375 4.311 1.00 0.00 O ATOM 1038 CB ALA A 144 16.158 12.967 1.185 1.00 0.00 C ATOM 0 H ALA A 144 16.651 10.030 1.192 1.00 0.00 H new ATOM 0 HA ALA A 144 17.859 12.417 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 144 15.892 13.809 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 144 16.768 13.321 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 144 15.250 12.504 0.797 1.00 0.00 H new ATOM 1044 N LEU A 145 14.867 11.172 2.957 1.00 0.00 N ATOM 1045 CA LEU A 145 13.994 10.665 4.002 1.00 0.00 C ATOM 1046 C LEU A 145 14.034 9.142 4.013 1.00 0.00 C ATOM 1047 O LEU A 145 13.283 8.487 3.294 1.00 0.00 O ATOM 1048 CB LEU A 145 12.556 11.154 3.795 1.00 0.00 C ATOM 1049 CG LEU A 145 12.417 12.471 3.030 1.00 0.00 C ATOM 1050 CD1 LEU A 145 11.210 12.424 2.106 1.00 0.00 C ATOM 1051 CD2 LEU A 145 12.305 13.640 3.996 1.00 0.00 C ATOM 0 H LEU A 145 14.420 11.270 2.046 1.00 0.00 H new ATOM 0 HA LEU A 145 14.347 11.041 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 145 12.001 10.383 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 145 12.085 11.268 4.771 1.00 0.00 H new ATOM 0 HG LEU A 145 13.311 12.613 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 145 11.126 13.369 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 145 11.331 11.610 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 145 10.307 12.259 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 145 12.207 14.569 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 145 11.429 13.505 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 145 13.199 13.685 4.618 1.00 0.00 H new ATOM 1063 N ILE A 146 14.936 8.589 4.806 1.00 0.00 N ATOM 1064 CA ILE A 146 15.098 7.144 4.888 1.00 0.00 C ATOM 1065 C ILE A 146 14.940 6.669 6.334 1.00 0.00 C ATOM 1066 O ILE A 146 14.545 5.529 6.586 1.00 0.00 O ATOM 1067 CB ILE A 146 16.475 6.710 4.324 1.00 0.00 C ATOM 1068 CG1 ILE A 146 16.565 5.187 4.201 1.00 0.00 C ATOM 1069 CG2 ILE A 146 17.612 7.246 5.184 1.00 0.00 C ATOM 1070 CD1 ILE A 146 17.585 4.728 3.179 1.00 0.00 C ATOM 0 H ILE A 146 15.570 9.119 5.404 1.00 0.00 H new ATOM 0 HA ILE A 146 14.320 6.680 4.282 1.00 0.00 H new ATOM 0 HB ILE A 146 16.573 7.137 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 146 16.820 4.765 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 146 15.586 4.793 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 146 18.566 6.927 4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 146 17.571 8.335 5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 146 17.514 6.860 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 146 17.598 3.639 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 146 17.319 5.121 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 146 18.572 5.093 3.461 1.00 0.00 H new ATOM 1146 N GLY A 207 17.152 -3.008 4.991 1.00 0.00 N ATOM 1147 CA GLY A 207 16.399 -4.227 4.791 1.00 0.00 C ATOM 1148 C GLY A 207 14.978 -4.137 5.297 1.00 0.00 C ATOM 1149 O GLY A 207 14.691 -4.510 6.435 1.00 0.00 O ATOM 0 HA2 GLY A 207 16.385 -4.468 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 207 16.907 -5.048 5.297 1.00 0.00 H new ATOM 1153 N SER A 208 14.095 -3.623 4.462 1.00 0.00 N ATOM 1154 CA SER A 208 12.676 -3.639 4.755 1.00 0.00 C ATOM 1155 C SER A 208 11.987 -4.660 3.857 1.00 0.00 C ATOM 1156 O SER A 208 12.182 -4.669 2.639 1.00 0.00 O ATOM 1157 CB SER A 208 12.074 -2.247 4.571 1.00 0.00 C ATOM 1158 OG SER A 208 12.891 -1.249 5.163 1.00 0.00 O ATOM 0 H SER A 208 14.338 -3.188 3.572 1.00 0.00 H new ATOM 0 HA SER A 208 12.524 -3.927 5.795 1.00 0.00 H new ATOM 0 HB2 SER A 208 11.954 -2.038 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.079 -2.217 5.016 1.00 0.00 H new ATOM 0 HG SER A 208 13.148 -0.591 4.484 1.00 0.00 H new ATOM 1164 N ILE A 404 11.199 -5.524 4.471 1.00 0.00 N ATOM 1165 CA ILE A 404 10.595 -6.653 3.784 1.00 0.00 C ATOM 1166 C ILE A 404 9.091 -6.454 3.635 1.00 0.00 C ATOM 1167 O ILE A 404 8.397 -6.140 4.606 1.00 0.00 O ATOM 1168 CB ILE A 404 10.863 -7.960 4.568 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.369 -8.186 4.754 1.00 0.00 C ATOM 1170 CG2 ILE A 404 10.227 -9.157 3.884 1.00 0.00 C ATOM 1171 CD1 ILE A 404 13.141 -8.316 3.457 1.00 0.00 C ATOM 0 H ILE A 404 10.959 -5.463 5.461 1.00 0.00 H new ATOM 0 HA ILE A 404 11.042 -6.724 2.793 1.00 0.00 H new ATOM 0 HB ILE A 404 10.405 -7.853 5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.782 -7.356 5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.519 -9.089 5.346 1.00 0.00 H new ATOM 0 HG21 ILE A 404 10.435 -10.058 4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 404 9.149 -9.008 3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.640 -9.265 2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 404 14.197 -8.474 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.758 -9.164 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 404 13.024 -7.404 2.871 1.00 0.00 H new ATOM 1183 N ALA A 405 8.601 -6.634 2.418 1.00 0.00 N ATOM 1184 CA ALA A 405 7.180 -6.492 2.135 1.00 0.00 C ATOM 1185 C ALA A 405 6.370 -7.552 2.868 1.00 0.00 C ATOM 1186 O ALA A 405 6.737 -8.730 2.877 1.00 0.00 O ATOM 1187 CB ALA A 405 6.924 -6.568 0.639 1.00 0.00 C ATOM 0 H ALA A 405 9.169 -6.880 1.607 1.00 0.00 H new ATOM 0 HA ALA A 405 6.861 -5.513 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.857 -6.460 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.466 -5.767 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 405 7.265 -7.531 0.260 1.00 0.00 H new ATOM 1193 N PRO A 406 5.264 -7.142 3.507 1.00 0.00 N ATOM 1194 CA PRO A 406 4.385 -8.050 4.238 1.00 0.00 C ATOM 1195 C PRO A 406 3.545 -8.912 3.301 1.00 0.00 C ATOM 1196 O PRO A 406 3.693 -8.849 2.081 1.00 0.00 O ATOM 1197 CB PRO A 406 3.479 -7.115 5.057 1.00 0.00 C ATOM 1198 CG PRO A 406 4.029 -5.739 4.871 1.00 0.00 C ATOM 1199 CD PRO A 406 4.783 -5.759 3.574 1.00 0.00 C ATOM 0 HA PRO A 406 4.951 -8.750 4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.447 -7.172 4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.479 -7.396 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.228 -5.000 4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 406 4.685 -5.467 5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.142 -5.511 2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.605 -5.043 3.571 1.00 0.00 H new ATOM 1207 N PHE A 407 2.667 -9.714 3.877 1.00 0.00 N ATOM 1208 CA PHE A 407 1.801 -10.580 3.096 1.00 0.00 C ATOM 1209 C PHE A 407 0.378 -10.043 3.117 1.00 0.00 C ATOM 1210 O PHE A 407 0.008 -9.318 4.040 1.00 0.00 O ATOM 1211 CB PHE A 407 1.832 -12.009 3.653 1.00 0.00 C ATOM 1212 CG PHE A 407 2.862 -12.885 3.002 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.164 -12.912 3.477 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.529 -13.679 1.915 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.114 -13.715 2.881 1.00 0.00 C ATOM 1216 CE2 PHE A 407 3.476 -14.483 1.314 1.00 0.00 C ATOM 1217 CZ PHE A 407 4.771 -14.502 1.797 1.00 0.00 C ATOM 0 H PHE A 407 2.535 -9.784 4.886 1.00 0.00 H new ATOM 0 HA PHE A 407 2.160 -10.600 2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 407 2.027 -11.968 4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.849 -12.462 3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.437 -12.298 4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.518 -13.668 1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.125 -13.729 3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.206 -15.097 0.467 1.00 0.00 H new ATOM 0 HZ PHE A 407 5.514 -15.131 1.328 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.431 -10.382 2.095 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.823 -9.929 1.999 1.00 0.00 C ATOM 1229 C PRO A 408 -2.633 -10.236 3.253 1.00 0.00 C ATOM 1230 O PRO A 408 -2.583 -11.345 3.792 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.376 -10.704 0.806 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.181 -11.014 -0.025 1.00 0.00 C ATOM 1233 CD PRO A 408 -0.049 -11.215 0.942 1.00 0.00 C ATOM 0 HA PRO A 408 -1.882 -8.846 1.886 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.884 -11.614 1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -3.103 -10.111 0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.345 -11.908 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.964 -10.200 -0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.059 -12.263 1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.904 -10.899 0.516 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.386 -9.243 3.691 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.197 -9.335 4.893 1.00 0.00 C ATOM 1243 C GLU A 409 -5.551 -8.689 4.633 1.00 0.00 C ATOM 1244 O GLU A 409 -5.772 -8.125 3.564 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.494 -8.637 6.064 1.00 0.00 C ATOM 1246 CG GLU A 409 -3.464 -9.455 7.343 1.00 0.00 C ATOM 1247 CD GLU A 409 -4.439 -8.943 8.381 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -5.615 -9.365 8.360 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -4.034 -8.115 9.224 1.00 0.00 O ATOM 0 H GLU A 409 -3.453 -8.342 3.218 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.339 -10.384 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -2.471 -8.401 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -3.995 -7.690 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -3.697 -10.494 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -2.456 -9.439 7.757 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.447 -8.761 5.595 1.00 0.00 N ATOM 1257 CA ALA A 410 -7.749 -8.136 5.442 1.00 0.00 C ATOM 1258 C ALA A 410 -7.712 -6.714 5.983 1.00 0.00 C ATOM 1259 O ALA A 410 -7.166 -6.468 7.059 1.00 0.00 O ATOM 1260 CB ALA A 410 -8.823 -8.953 6.143 1.00 0.00 C ATOM 0 H ALA A 410 -6.303 -9.240 6.484 1.00 0.00 H new ATOM 0 HA ALA A 410 -7.996 -8.098 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -9.790 -8.467 6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -8.860 -9.953 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.590 -9.025 7.205 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.264 -5.779 5.228 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.317 -4.389 5.655 1.00 0.00 C ATOM 1268 C ALA A 411 -9.509 -4.160 6.565 1.00 0.00 C ATOM 1269 O ALA A 411 -10.275 -5.084 6.842 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.394 -3.466 4.450 1.00 0.00 C ATOM 0 H ALA A 411 -8.683 -5.957 4.315 1.00 0.00 H new ATOM 0 HA ALA A 411 -7.406 -4.165 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.433 -2.430 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.514 -3.611 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -9.291 -3.694 3.874 1.00 0.00 H new ATOM 1276 N LEU A 412 -9.651 -2.935 7.042 1.00 0.00 N ATOM 1277 CA LEU A 412 -10.809 -2.565 7.830 1.00 0.00 C ATOM 1278 C LEU A 412 -12.026 -2.471 6.919 1.00 0.00 C ATOM 1279 O LEU A 412 -12.024 -1.698 5.957 1.00 0.00 O ATOM 1280 CB LEU A 412 -10.572 -1.230 8.541 1.00 0.00 C ATOM 1281 CG LEU A 412 -11.354 -1.041 9.840 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -10.551 -1.548 11.024 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -11.717 0.423 10.025 1.00 0.00 C ATOM 0 H LEU A 412 -8.978 -2.182 6.896 1.00 0.00 H new ATOM 0 HA LEU A 412 -10.983 -3.326 8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -9.508 -1.135 8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -10.831 -0.421 7.858 1.00 0.00 H new ATOM 0 HG LEU A 412 -12.275 -1.621 9.781 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -11.124 -1.405 11.940 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -10.337 -2.609 10.891 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -9.614 -0.995 11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -12.274 0.545 10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -10.807 1.021 10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -12.331 0.754 9.188 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.066 -3.276 7.196 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.279 -3.309 6.378 1.00 0.00 C ATOM 1297 C PRO A 413 -14.907 -1.929 6.230 1.00 0.00 C ATOM 1298 O PRO A 413 -15.255 -1.283 7.223 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.214 -4.245 7.154 1.00 0.00 C ATOM 1300 CG PRO A 413 -14.311 -5.087 7.985 1.00 0.00 C ATOM 1301 CD PRO A 413 -13.136 -4.214 8.329 1.00 0.00 C ATOM 0 HA PRO A 413 -14.076 -3.643 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -15.911 -3.682 7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.812 -4.856 6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -14.818 -5.432 8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -13.992 -5.975 7.439 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -13.286 -3.692 9.274 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -12.219 -4.795 8.427 1.00 0.00 H new ATOM 1309 N THR A 414 -15.041 -1.480 4.992 1.00 0.00 N ATOM 1310 CA THR A 414 -15.628 -0.183 4.726 1.00 0.00 C ATOM 1311 C THR A 414 -17.149 -0.272 4.737 1.00 0.00 C ATOM 1312 O THR A 414 -17.712 -1.366 4.634 1.00 0.00 O ATOM 1313 CB THR A 414 -15.142 0.389 3.383 1.00 0.00 C ATOM 1314 OG1 THR A 414 -13.829 -0.111 3.089 1.00 0.00 O ATOM 1315 CG2 THR A 414 -15.107 1.908 3.422 1.00 0.00 C ATOM 0 H THR A 414 -14.751 -1.995 4.160 1.00 0.00 H new ATOM 0 HA THR A 414 -15.306 0.493 5.518 1.00 0.00 H new ATOM 0 HB THR A 414 -15.839 0.076 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 414 -13.893 -1.041 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 414 -14.760 2.289 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 414 -16.108 2.290 3.624 1.00 0.00 H new ATOM 0 HG23 THR A 414 -14.428 2.236 4.209 1.00 0.00 H new ATOM 1323 N SER A 415 -17.797 0.884 4.874 1.00 0.00 N ATOM 1324 CA SER A 415 -19.247 0.974 5.022 1.00 0.00 C ATOM 1325 C SER A 415 -19.666 0.465 6.402 1.00 0.00 C ATOM 1326 O SER A 415 -18.818 0.168 7.245 1.00 0.00 O ATOM 1327 CB SER A 415 -19.973 0.206 3.910 1.00 0.00 C ATOM 1328 OG SER A 415 -19.916 0.906 2.676 1.00 0.00 O ATOM 0 H SER A 415 -17.327 1.789 4.885 1.00 0.00 H new ATOM 0 HA SER A 415 -19.535 2.022 4.933 1.00 0.00 H new ATOM 0 HB2 SER A 415 -19.523 -0.780 3.792 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.014 0.049 4.194 1.00 0.00 H new ATOM 0 HG SER A 415 -19.127 1.487 2.665 1.00 0.00 H new