USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 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 128:sc= 1.73 USER MOD Set 1.2: A 118 CYS SG : rot 120:sc= -4.45! USER MOD Set 1.3: A 137 CYS SG : rot 123:sc= -2.38! USER MOD Set 2.1: A 106 ASN : amide:sc= -0.343 K(o=1.9,f=-5.5!) USER MOD Set 2.2: A 108 TYR OH : rot -168:sc= 1.2 USER MOD Set 2.3: A 130 TYR OH : rot -110:sc= 1.08 USER MOD Set 3.1: A 93 SER OG : rot -80:sc= 0.238 USER MOD Set 3.2: A 414 THR OG1 : rot -115:sc= 0.0754 USER MOD Set 4.1: A 87 CYS SG : rot -96:sc= 0.711 USER MOD Set 4.2: A 90 CYS SG : rot -112:sc= 1.2 USER MOD Set 4.3: A 109 HIS : no HD1:sc= 0.17 K(o=-3.2,f=-4.4) USER MOD Set 4.4: A 112 CYS SG : rot 146:sc= -5.29! USER MOD Single : A 83 ASN : amide:sc= 0.317 K(o=0.32,f=-6.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 97:sc= 0.113 USER MOD Single : A 92 GLN : amide:sc= -2.8! K(o=-2.8!,f=-1) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -111:sc= -0.459 (180deg=-5.31!) USER MOD Single : A 104 GLN : amide:sc= -0.916 K(o=-0.92,f=-2.5!) USER MOD Single : A 111 LYS NZ :NH3+ -155:sc= 1.18 (180deg=-0.0208) USER MOD Single : A 114 THR OG1 : rot -120:sc= 0.0762 USER MOD Single : A 116 SER OG : rot -78:sc= 0.845 USER MOD Single : A 117 THR OG1 : rot 165:sc= 1.09 USER MOD Single : A 120 ASN : amide:sc= 0.432 K(o=0.43,f=-0.41) USER MOD Single : A 129 HIS : no HD1:sc= -1.8! C(o=-1.8!,f=-7.4!) USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 78:sc= 1.21 USER MOD Single : A 139 HIS : no HD1:sc= -0.585 X(o=-0.59,f=-0.97!) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 SER OG : rot 17:sc= 0.759 USER MOD Single : A 415 SER OG : rot 180:sc= 0.016 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -14.883 8.834 -5.103 1.00 0.00 N ATOM 62 CA ARG A 79 -14.188 7.699 -5.702 1.00 0.00 C ATOM 63 C ARG A 79 -14.421 6.436 -4.892 1.00 0.00 C ATOM 64 O ARG A 79 -14.647 5.355 -5.437 1.00 0.00 O ATOM 65 CB ARG A 79 -12.692 7.992 -5.792 1.00 0.00 C ATOM 66 CG ARG A 79 -11.944 7.079 -6.749 1.00 0.00 C ATOM 67 CD ARG A 79 -10.503 7.526 -6.926 1.00 0.00 C ATOM 68 NE ARG A 79 -9.768 7.548 -5.657 1.00 0.00 N ATOM 69 CZ ARG A 79 -8.820 8.441 -5.356 1.00 0.00 C ATOM 70 NH1 ARG A 79 -8.517 9.408 -6.216 1.00 0.00 N ATOM 71 NH2 ARG A 79 -8.179 8.367 -4.193 1.00 0.00 N ATOM 0 HA ARG A 79 -14.585 7.543 -6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.552 9.026 -6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.253 7.900 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.966 6.057 -6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.446 7.073 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.000 6.856 -7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.485 8.521 -7.371 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.994 6.838 -4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.008 9.470 -7.108 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.793 10.088 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.411 7.628 -3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.456 9.049 -3.965 1.00 0.00 H new ATOM 85 N LEU A 80 -14.354 6.585 -3.590 1.00 0.00 N ATOM 86 CA LEU A 80 -14.593 5.481 -2.680 1.00 0.00 C ATOM 87 C LEU A 80 -16.089 5.306 -2.483 1.00 0.00 C ATOM 88 O LEU A 80 -16.792 6.267 -2.169 1.00 0.00 O ATOM 89 CB LEU A 80 -13.902 5.729 -1.334 1.00 0.00 C ATOM 90 CG LEU A 80 -13.138 7.053 -1.221 1.00 0.00 C ATOM 91 CD1 LEU A 80 -13.238 7.605 0.193 1.00 0.00 C ATOM 92 CD2 LEU A 80 -11.679 6.865 -1.610 1.00 0.00 C ATOM 0 H LEU A 80 -14.134 7.468 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.176 4.570 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.655 5.695 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.207 4.911 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.590 7.768 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.690 8.545 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.285 7.777 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.811 6.888 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.154 7.816 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.217 6.134 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.620 6.510 -2.639 1.00 0.00 H new ATOM 104 N PHE A 81 -16.578 4.092 -2.697 1.00 0.00 N ATOM 105 CA PHE A 81 -17.997 3.806 -2.536 1.00 0.00 C ATOM 106 C PHE A 81 -18.381 3.937 -1.073 1.00 0.00 C ATOM 107 O PHE A 81 -18.051 3.077 -0.250 1.00 0.00 O ATOM 108 CB PHE A 81 -18.325 2.412 -3.068 1.00 0.00 C ATOM 109 CG PHE A 81 -17.990 2.246 -4.526 1.00 0.00 C ATOM 110 CD1 PHE A 81 -18.341 3.225 -5.446 1.00 0.00 C ATOM 111 CD2 PHE A 81 -17.325 1.116 -4.979 1.00 0.00 C ATOM 112 CE1 PHE A 81 -18.037 3.078 -6.784 1.00 0.00 C ATOM 113 CE2 PHE A 81 -17.019 0.966 -6.317 1.00 0.00 C ATOM 114 CZ PHE A 81 -17.376 1.951 -7.219 1.00 0.00 C ATOM 0 H PHE A 81 -16.014 3.291 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 81 -18.576 4.526 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -17.777 1.669 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -19.386 2.213 -2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -18.858 4.112 -5.110 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -17.043 0.345 -4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -18.317 3.846 -7.489 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -16.502 0.081 -6.658 1.00 0.00 H new ATOM 0 HZ PHE A 81 -17.136 1.836 -8.266 1.00 0.00 H new ATOM 124 N GLY A 82 -19.064 5.027 -0.758 1.00 0.00 N ATOM 125 CA GLY A 82 -19.355 5.356 0.615 1.00 0.00 C ATOM 126 C GLY A 82 -18.320 6.308 1.168 1.00 0.00 C ATOM 127 O GLY A 82 -18.432 7.522 0.986 1.00 0.00 O ATOM 0 H GLY A 82 -19.424 5.694 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -20.345 5.807 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -19.377 4.446 1.215 1.00 0.00 H new ATOM 131 N ASN A 83 -17.305 5.743 1.821 1.00 0.00 N ATOM 132 CA ASN A 83 -16.178 6.502 2.370 1.00 0.00 C ATOM 133 C ASN A 83 -15.336 5.584 3.252 1.00 0.00 C ATOM 134 O ASN A 83 -15.763 4.476 3.579 1.00 0.00 O ATOM 135 CB ASN A 83 -16.657 7.700 3.206 1.00 0.00 C ATOM 136 CG ASN A 83 -15.719 8.892 3.108 1.00 0.00 C ATOM 137 OD1 ASN A 83 -14.499 8.737 3.060 1.00 0.00 O ATOM 138 ND2 ASN A 83 -16.284 10.090 3.080 1.00 0.00 N ATOM 0 H ASN A 83 -17.240 4.739 1.986 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.588 6.882 1.536 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.652 7.996 2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -16.747 7.398 4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -15.703 10.926 3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -17.300 10.176 3.122 1.00 0.00 H new ATOM 145 N SER A 84 -14.142 6.052 3.613 1.00 0.00 N ATOM 146 CA SER A 84 -13.267 5.388 4.591 1.00 0.00 C ATOM 147 C SER A 84 -12.645 4.084 4.068 1.00 0.00 C ATOM 148 O SER A 84 -11.420 3.972 3.975 1.00 0.00 O ATOM 149 CB SER A 84 -14.024 5.130 5.902 1.00 0.00 C ATOM 150 OG SER A 84 -14.868 6.224 6.222 1.00 0.00 O ATOM 0 H SER A 84 -13.746 6.912 3.233 1.00 0.00 H new ATOM 0 HA SER A 84 -12.439 6.073 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.619 4.221 5.811 1.00 0.00 H new ATOM 0 HB3 SER A 84 -13.313 4.965 6.711 1.00 0.00 H new ATOM 0 HG SER A 84 -15.342 6.038 7.059 1.00 0.00 H new ATOM 156 N GLY A 85 -13.478 3.111 3.724 1.00 0.00 N ATOM 157 CA GLY A 85 -12.973 1.796 3.368 1.00 0.00 C ATOM 158 C GLY A 85 -12.444 1.719 1.951 1.00 0.00 C ATOM 159 O GLY A 85 -13.061 1.095 1.088 1.00 0.00 O ATOM 0 H GLY A 85 -14.493 3.207 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.178 1.521 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.770 1.063 3.491 1.00 0.00 H new ATOM 163 N ALA A 86 -11.296 2.340 1.714 1.00 0.00 N ATOM 164 CA ALA A 86 -10.666 2.335 0.403 1.00 0.00 C ATOM 165 C ALA A 86 -9.148 2.382 0.543 1.00 0.00 C ATOM 166 O ALA A 86 -8.634 2.595 1.644 1.00 0.00 O ATOM 167 CB ALA A 86 -11.160 3.511 -0.422 1.00 0.00 C ATOM 0 H ALA A 86 -10.778 2.859 2.423 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.936 1.412 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.681 3.496 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.241 3.440 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.914 4.442 0.088 1.00 0.00 H new ATOM 173 N CYS A 87 -8.435 2.193 -0.563 1.00 0.00 N ATOM 174 CA CYS A 87 -6.979 2.198 -0.539 1.00 0.00 C ATOM 175 C CYS A 87 -6.446 3.491 -1.147 1.00 0.00 C ATOM 176 O CYS A 87 -7.041 4.051 -2.072 1.00 0.00 O ATOM 177 CB CYS A 87 -6.422 0.954 -1.252 1.00 0.00 C ATOM 178 SG CYS A 87 -5.382 1.272 -2.720 1.00 0.00 S ATOM 0 H CYS A 87 -8.842 2.035 -1.485 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.640 2.156 0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -5.837 0.380 -0.534 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.261 0.327 -1.554 1.00 0.00 H new ATOM 0 HG CYS A 87 -6.109 1.184 -3.794 1.00 0.00 H new ATOM 183 N SER A 88 -5.334 3.965 -0.612 1.00 0.00 N ATOM 184 CA SER A 88 -4.793 5.266 -0.976 1.00 0.00 C ATOM 185 C SER A 88 -4.138 5.263 -2.360 1.00 0.00 C ATOM 186 O SER A 88 -3.782 6.321 -2.887 1.00 0.00 O ATOM 187 CB SER A 88 -3.778 5.699 0.082 1.00 0.00 C ATOM 188 OG SER A 88 -3.749 4.773 1.157 1.00 0.00 O ATOM 0 H SER A 88 -4.782 3.463 0.084 1.00 0.00 H new ATOM 0 HA SER A 88 -5.622 5.972 -1.020 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.787 5.775 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.035 6.690 0.456 1.00 0.00 H new ATOM 0 HG SER A 88 -3.007 4.145 1.028 1.00 0.00 H new ATOM 194 N ALA A 89 -3.993 4.088 -2.957 1.00 0.00 N ATOM 195 CA ALA A 89 -3.308 3.974 -4.237 1.00 0.00 C ATOM 196 C ALA A 89 -4.272 4.155 -5.403 1.00 0.00 C ATOM 197 O ALA A 89 -4.052 4.998 -6.275 1.00 0.00 O ATOM 198 CB ALA A 89 -2.587 2.643 -4.331 1.00 0.00 C ATOM 0 H ALA A 89 -4.338 3.206 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.570 4.774 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.079 2.571 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.854 2.569 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.309 1.831 -4.240 1.00 0.00 H new ATOM 204 N CYS A 90 -5.341 3.371 -5.416 1.00 0.00 N ATOM 205 CA CYS A 90 -6.316 3.454 -6.493 1.00 0.00 C ATOM 206 C CYS A 90 -7.504 4.306 -6.072 1.00 0.00 C ATOM 207 O CYS A 90 -8.031 5.097 -6.859 1.00 0.00 O ATOM 208 CB CYS A 90 -6.788 2.058 -6.909 1.00 0.00 C ATOM 209 SG CYS A 90 -7.713 1.153 -5.627 1.00 0.00 S ATOM 0 H CYS A 90 -5.554 2.677 -4.700 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.834 3.924 -7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.417 2.151 -7.794 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -5.919 1.466 -7.196 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.007 0.142 -5.215 1.00 0.00 H new ATOM 214 N GLY A 91 -7.915 4.140 -4.824 1.00 0.00 N ATOM 215 CA GLY A 91 -9.049 4.868 -4.309 1.00 0.00 C ATOM 216 C GLY A 91 -10.325 4.059 -4.373 1.00 0.00 C ATOM 217 O GLY A 91 -11.410 4.589 -4.140 1.00 0.00 O ATOM 0 H GLY A 91 -7.476 3.507 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.855 5.156 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.176 5.789 -4.878 1.00 0.00 H new ATOM 221 N GLN A 92 -10.199 2.781 -4.706 1.00 0.00 N ATOM 222 CA GLN A 92 -11.347 1.894 -4.739 1.00 0.00 C ATOM 223 C GLN A 92 -11.557 1.249 -3.374 1.00 0.00 C ATOM 224 O GLN A 92 -10.622 1.132 -2.582 1.00 0.00 O ATOM 225 CB GLN A 92 -11.182 0.825 -5.820 1.00 0.00 C ATOM 226 CG GLN A 92 -12.500 0.377 -6.439 1.00 0.00 C ATOM 227 CD GLN A 92 -13.176 1.455 -7.272 1.00 0.00 C ATOM 228 OE1 GLN A 92 -13.191 1.388 -8.502 1.00 0.00 O ATOM 229 NE2 GLN A 92 -13.757 2.446 -6.609 1.00 0.00 N ATOM 0 H GLN A 92 -9.314 2.339 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.229 2.486 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.534 1.212 -6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.679 -0.041 -5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.320 -0.496 -7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -13.178 0.064 -5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.723 2.467 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.238 3.187 -7.118 1.00 0.00 H new ATOM 238 N SER A 93 -12.788 0.840 -3.110 1.00 0.00 N ATOM 239 CA SER A 93 -13.168 0.323 -1.807 1.00 0.00 C ATOM 240 C SER A 93 -12.573 -1.060 -1.530 1.00 0.00 C ATOM 241 O SER A 93 -12.180 -1.782 -2.450 1.00 0.00 O ATOM 242 CB SER A 93 -14.689 0.266 -1.725 1.00 0.00 C ATOM 243 OG SER A 93 -15.265 1.503 -2.116 1.00 0.00 O ATOM 0 H SER A 93 -13.548 0.857 -3.790 1.00 0.00 H new ATOM 0 HA SER A 93 -12.769 0.994 -1.047 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.062 -0.532 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.993 0.025 -0.707 1.00 0.00 H new ATOM 0 HG SER A 93 -15.217 2.137 -1.370 1.00 0.00 H new ATOM 249 N ILE A 94 -12.523 -1.420 -0.253 1.00 0.00 N ATOM 250 CA ILE A 94 -11.981 -2.704 0.169 1.00 0.00 C ATOM 251 C ILE A 94 -13.097 -3.700 0.480 1.00 0.00 C ATOM 252 O ILE A 94 -13.857 -3.515 1.434 1.00 0.00 O ATOM 253 CB ILE A 94 -11.083 -2.551 1.417 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.977 -1.526 1.154 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.485 -3.892 1.816 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.444 -0.869 2.413 1.00 0.00 C ATOM 0 H ILE A 94 -12.855 -0.834 0.513 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.382 -3.082 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.698 -2.193 2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.154 -2.017 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.360 -0.754 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.856 -3.762 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.287 -4.595 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.883 -4.281 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.664 -0.155 2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.255 -0.348 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.030 -1.631 3.074 1.00 0.00 H new ATOM 268 N PRO A 95 -13.241 -4.743 -0.351 1.00 0.00 N ATOM 269 CA PRO A 95 -14.147 -5.853 -0.083 1.00 0.00 C ATOM 270 C PRO A 95 -13.546 -6.828 0.925 1.00 0.00 C ATOM 271 O PRO A 95 -12.330 -7.025 0.953 1.00 0.00 O ATOM 272 CB PRO A 95 -14.310 -6.541 -1.448 1.00 0.00 C ATOM 273 CG PRO A 95 -13.536 -5.714 -2.426 1.00 0.00 C ATOM 274 CD PRO A 95 -12.539 -4.929 -1.621 1.00 0.00 C ATOM 0 HA PRO A 95 -15.091 -5.515 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.932 -7.563 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.361 -6.599 -1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.033 -6.347 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.197 -5.049 -2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.603 -5.472 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.294 -3.978 -2.093 1.00 0.00 H new ATOM 282 N ALA A 96 -14.398 -7.453 1.727 1.00 0.00 N ATOM 283 CA ALA A 96 -13.947 -8.409 2.742 1.00 0.00 C ATOM 284 C ALA A 96 -13.418 -9.697 2.107 1.00 0.00 C ATOM 285 O ALA A 96 -12.796 -10.525 2.774 1.00 0.00 O ATOM 286 CB ALA A 96 -15.073 -8.727 3.718 1.00 0.00 C ATOM 0 H ALA A 96 -15.409 -7.318 1.698 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.127 -7.943 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.718 -9.438 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -15.394 -7.811 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.914 -9.159 3.175 1.00 0.00 H new ATOM 292 N SER A 97 -13.665 -9.856 0.814 1.00 0.00 N ATOM 293 CA SER A 97 -13.200 -11.027 0.082 1.00 0.00 C ATOM 294 C SER A 97 -11.841 -10.758 -0.566 1.00 0.00 C ATOM 295 O SER A 97 -11.269 -11.622 -1.237 1.00 0.00 O ATOM 296 CB SER A 97 -14.230 -11.416 -0.977 1.00 0.00 C ATOM 297 OG SER A 97 -15.536 -11.025 -0.579 1.00 0.00 O ATOM 0 H SER A 97 -14.187 -9.186 0.248 1.00 0.00 H new ATOM 0 HA SER A 97 -13.081 -11.853 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.978 -10.944 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.202 -12.493 -1.139 1.00 0.00 H new ATOM 0 HG SER A 97 -16.180 -11.282 -1.272 1.00 0.00 H new ATOM 303 N GLU A 98 -11.320 -9.558 -0.346 1.00 0.00 N ATOM 304 CA GLU A 98 -10.040 -9.169 -0.913 1.00 0.00 C ATOM 305 C GLU A 98 -9.003 -9.038 0.191 1.00 0.00 C ATOM 306 O GLU A 98 -9.326 -9.175 1.372 1.00 0.00 O ATOM 307 CB GLU A 98 -10.165 -7.852 -1.681 1.00 0.00 C ATOM 308 CG GLU A 98 -10.087 -8.036 -3.187 1.00 0.00 C ATOM 309 CD GLU A 98 -8.689 -7.837 -3.736 1.00 0.00 C ATOM 310 OE1 GLU A 98 -7.858 -8.761 -3.597 1.00 0.00 O ATOM 311 OE2 GLU A 98 -8.423 -6.769 -4.323 1.00 0.00 O ATOM 0 H GLU A 98 -11.766 -8.838 0.222 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.721 -9.942 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.113 -7.378 -1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.373 -7.174 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.433 -9.037 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.764 -7.331 -3.669 1.00 0.00 H new ATOM 318 N LEU A 99 -7.763 -8.780 -0.188 1.00 0.00 N ATOM 319 CA LEU A 99 -6.690 -8.631 0.783 1.00 0.00 C ATOM 320 C LEU A 99 -6.001 -7.284 0.608 1.00 0.00 C ATOM 321 O LEU A 99 -5.673 -6.886 -0.511 1.00 0.00 O ATOM 322 CB LEU A 99 -5.672 -9.764 0.637 1.00 0.00 C ATOM 323 CG LEU A 99 -6.241 -11.176 0.767 1.00 0.00 C ATOM 324 CD1 LEU A 99 -5.237 -12.196 0.255 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.607 -11.468 2.211 1.00 0.00 C ATOM 0 H LEU A 99 -7.473 -8.669 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.123 -8.678 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.189 -9.673 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.896 -9.632 1.391 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.145 -11.245 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.654 -13.198 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.017 -11.995 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.319 -12.127 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.011 -12.478 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.718 -11.385 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.356 -10.751 2.549 1.00 0.00 H new ATOM 337 N VAL A 100 -5.788 -6.584 1.713 1.00 0.00 N ATOM 338 CA VAL A 100 -5.134 -5.285 1.669 1.00 0.00 C ATOM 339 C VAL A 100 -3.809 -5.328 2.412 1.00 0.00 C ATOM 340 O VAL A 100 -3.674 -5.986 3.444 1.00 0.00 O ATOM 341 CB VAL A 100 -6.012 -4.153 2.257 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.857 -3.516 1.169 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.899 -4.654 3.388 1.00 0.00 C ATOM 0 H VAL A 100 -6.057 -6.892 2.647 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.965 -5.062 0.616 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.340 -3.402 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.468 -2.723 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.206 -3.097 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.505 -4.271 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.499 -3.829 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.558 -5.438 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.277 -5.054 4.188 1.00 0.00 H new ATOM 353 N MET A 101 -2.833 -4.628 1.871 1.00 0.00 N ATOM 354 CA MET A 101 -1.509 -4.568 2.459 1.00 0.00 C ATOM 355 C MET A 101 -1.464 -3.475 3.516 1.00 0.00 C ATOM 356 O MET A 101 -1.610 -2.290 3.211 1.00 0.00 O ATOM 357 CB MET A 101 -0.466 -4.301 1.371 1.00 0.00 C ATOM 358 CG MET A 101 -0.160 -5.510 0.497 1.00 0.00 C ATOM 359 SD MET A 101 1.072 -6.599 1.228 1.00 0.00 S ATOM 360 CE MET A 101 1.858 -7.260 -0.241 1.00 0.00 C ATOM 0 H MET A 101 -2.934 -4.085 1.013 1.00 0.00 H new ATOM 0 HA MET A 101 -1.282 -5.524 2.932 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.817 -3.487 0.737 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.457 -3.963 1.842 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.079 -6.071 0.325 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.193 -5.170 -0.476 1.00 0.00 H new ATOM 0 HE1 MET A 101 1.612 -8.317 -0.341 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.502 -6.720 -1.118 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.939 -7.145 -0.158 1.00 0.00 H new ATOM 370 N ARG A 102 -1.286 -3.883 4.763 1.00 0.00 N ATOM 371 CA ARG A 102 -1.246 -2.946 5.872 1.00 0.00 C ATOM 372 C ARG A 102 0.200 -2.657 6.266 1.00 0.00 C ATOM 373 O ARG A 102 0.961 -3.570 6.591 1.00 0.00 O ATOM 374 CB ARG A 102 -2.043 -3.509 7.059 1.00 0.00 C ATOM 375 CG ARG A 102 -1.620 -2.966 8.418 1.00 0.00 C ATOM 376 CD ARG A 102 -1.090 -4.073 9.324 1.00 0.00 C ATOM 377 NE ARG A 102 -2.148 -4.978 9.779 1.00 0.00 N ATOM 378 CZ ARG A 102 -2.248 -6.259 9.420 1.00 0.00 C ATOM 379 NH1 ARG A 102 -1.327 -6.820 8.644 1.00 0.00 N ATOM 380 NH2 ARG A 102 -3.257 -6.990 9.866 1.00 0.00 N ATOM 0 H ARG A 102 -1.167 -4.860 5.032 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.705 -2.006 5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.100 -3.290 6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.940 -4.594 7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.851 -2.206 8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.470 -2.479 8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.332 -4.645 8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.600 -3.627 10.190 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.855 -4.604 10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.533 -6.270 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.414 -7.800 8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.955 -6.574 10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.337 -7.970 9.594 1.00 0.00 H new ATOM 394 N ALA A 103 0.581 -1.391 6.219 1.00 0.00 N ATOM 395 CA ALA A 103 1.932 -0.997 6.590 1.00 0.00 C ATOM 396 C ALA A 103 1.944 -0.333 7.964 1.00 0.00 C ATOM 397 O ALA A 103 2.196 -0.987 8.974 1.00 0.00 O ATOM 398 CB ALA A 103 2.533 -0.077 5.534 1.00 0.00 C ATOM 0 H ALA A 103 -0.022 -0.621 5.929 1.00 0.00 H new ATOM 0 HA ALA A 103 2.547 -1.895 6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.543 0.206 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.568 -0.596 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.918 0.818 5.439 1.00 0.00 H new ATOM 404 N GLN A 104 1.645 0.958 8.000 1.00 0.00 N ATOM 405 CA GLN A 104 1.634 1.708 9.250 1.00 0.00 C ATOM 406 C GLN A 104 0.277 2.363 9.460 1.00 0.00 C ATOM 407 O GLN A 104 0.163 3.589 9.534 1.00 0.00 O ATOM 408 CB GLN A 104 2.736 2.769 9.242 1.00 0.00 C ATOM 409 CG GLN A 104 4.019 2.328 9.930 1.00 0.00 C ATOM 410 CD GLN A 104 4.943 1.572 8.999 1.00 0.00 C ATOM 411 OE1 GLN A 104 5.109 1.942 7.838 1.00 0.00 O ATOM 412 NE2 GLN A 104 5.560 0.518 9.504 1.00 0.00 N ATOM 0 H GLN A 104 1.406 1.510 7.176 1.00 0.00 H new ATOM 0 HA GLN A 104 1.820 1.017 10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.962 3.037 8.210 1.00 0.00 H new ATOM 0 HB3 GLN A 104 2.364 3.669 9.731 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.538 3.203 10.321 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.772 1.697 10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.394 0.245 10.473 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.203 -0.023 8.925 1.00 0.00 H new ATOM 421 N GLY A 105 -0.759 1.537 9.531 1.00 0.00 N ATOM 422 CA GLY A 105 -2.107 2.044 9.710 1.00 0.00 C ATOM 423 C GLY A 105 -2.772 2.373 8.390 1.00 0.00 C ATOM 424 O GLY A 105 -3.993 2.513 8.314 1.00 0.00 O ATOM 0 H GLY A 105 -0.690 0.521 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.705 1.304 10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.078 2.938 10.333 1.00 0.00 H new ATOM 428 N ASN A 106 -1.961 2.501 7.355 1.00 0.00 N ATOM 429 CA ASN A 106 -2.452 2.765 6.012 1.00 0.00 C ATOM 430 C ASN A 106 -2.659 1.454 5.273 1.00 0.00 C ATOM 431 O ASN A 106 -2.064 0.432 5.630 1.00 0.00 O ATOM 432 CB ASN A 106 -1.473 3.657 5.240 1.00 0.00 C ATOM 433 CG ASN A 106 -0.052 3.569 5.772 1.00 0.00 C ATOM 434 OD1 ASN A 106 0.512 2.482 5.898 1.00 0.00 O ATOM 435 ND2 ASN A 106 0.531 4.712 6.096 1.00 0.00 N ATOM 0 H ASN A 106 -0.946 2.425 7.420 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.404 3.290 6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.481 3.372 4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.812 4.692 5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 106 1.482 4.713 6.465 1.00 0.00 H new ATOM 0 HD22 ASN A 106 0.029 5.592 5.977 1.00 0.00 H new ATOM 442 N VAL A 107 -3.501 1.481 4.247 1.00 0.00 N ATOM 443 CA VAL A 107 -3.850 0.270 3.516 1.00 0.00 C ATOM 444 C VAL A 107 -3.741 0.469 2.009 1.00 0.00 C ATOM 445 O VAL A 107 -4.028 1.549 1.489 1.00 0.00 O ATOM 446 CB VAL A 107 -5.283 -0.204 3.844 1.00 0.00 C ATOM 447 CG1 VAL A 107 -5.271 -1.206 4.989 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.194 0.976 4.169 1.00 0.00 C ATOM 0 H VAL A 107 -3.954 2.328 3.903 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.135 -0.489 3.834 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.681 -0.700 2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.291 -1.526 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.670 -2.071 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.844 -0.739 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.196 0.611 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.800 1.513 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.238 1.648 3.312 1.00 0.00 H new ATOM 458 N TYR A 108 -3.305 -0.582 1.325 1.00 0.00 N ATOM 459 CA TYR A 108 -3.237 -0.606 -0.133 1.00 0.00 C ATOM 460 C TYR A 108 -3.710 -1.969 -0.621 1.00 0.00 C ATOM 461 O TYR A 108 -3.810 -2.899 0.172 1.00 0.00 O ATOM 462 CB TYR A 108 -1.804 -0.351 -0.621 1.00 0.00 C ATOM 463 CG TYR A 108 -1.240 0.984 -0.196 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.470 2.129 -0.950 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.482 1.100 0.964 1.00 0.00 C ATOM 466 CE1 TYR A 108 -0.961 3.353 -0.561 1.00 0.00 C ATOM 467 CE2 TYR A 108 0.029 2.319 1.361 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.214 3.443 0.597 1.00 0.00 C ATOM 469 OH TYR A 108 0.291 4.661 0.989 1.00 0.00 O ATOM 0 H TYR A 108 -2.987 -1.445 1.766 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.875 0.183 -0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.157 -1.144 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.785 -0.412 -1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.056 2.061 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.290 0.222 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.146 4.233 -1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.616 2.393 2.265 1.00 0.00 H new ATOM 0 HH TYR A 108 0.945 4.528 1.707 1.00 0.00 H new ATOM 479 N HIS A 109 -3.994 -2.105 -1.905 1.00 0.00 N ATOM 480 CA HIS A 109 -4.429 -3.393 -2.436 1.00 0.00 C ATOM 481 C HIS A 109 -3.226 -4.239 -2.835 1.00 0.00 C ATOM 482 O HIS A 109 -2.103 -3.740 -2.890 1.00 0.00 O ATOM 483 CB HIS A 109 -5.348 -3.206 -3.642 1.00 0.00 C ATOM 484 CG HIS A 109 -6.749 -2.794 -3.291 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.216 -1.529 -3.553 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.746 -3.511 -2.704 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.469 -1.494 -3.139 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.839 -2.676 -2.613 1.00 0.00 N ATOM 0 H HIS A 109 -3.934 -1.354 -2.593 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.984 -3.907 -1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.915 -2.454 -4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.386 -4.139 -4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.691 -4.538 -2.373 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -9.113 -0.630 -3.213 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.752 -2.909 -2.222 1.00 0.00 H new ATOM 496 N LEU A 110 -3.462 -5.516 -3.120 1.00 0.00 N ATOM 497 CA LEU A 110 -2.395 -6.416 -3.559 1.00 0.00 C ATOM 498 C LEU A 110 -1.795 -5.948 -4.886 1.00 0.00 C ATOM 499 O LEU A 110 -0.611 -6.157 -5.162 1.00 0.00 O ATOM 500 CB LEU A 110 -2.936 -7.841 -3.712 1.00 0.00 C ATOM 501 CG LEU A 110 -2.217 -8.919 -2.888 1.00 0.00 C ATOM 502 CD1 LEU A 110 -2.502 -10.303 -3.454 1.00 0.00 C ATOM 503 CD2 LEU A 110 -0.715 -8.665 -2.850 1.00 0.00 C ATOM 0 H LEU A 110 -4.381 -5.953 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.611 -6.406 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.990 -7.841 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.883 -8.119 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.598 -8.872 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.984 -11.054 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.575 -10.494 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.151 -10.354 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.229 -9.442 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.318 -8.678 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.522 -7.692 -2.397 1.00 0.00 H new ATOM 515 N LYS A 111 -2.628 -5.320 -5.706 1.00 0.00 N ATOM 516 CA LYS A 111 -2.194 -4.805 -7.002 1.00 0.00 C ATOM 517 C LYS A 111 -1.681 -3.374 -6.875 1.00 0.00 C ATOM 518 O LYS A 111 -0.928 -2.895 -7.720 1.00 0.00 O ATOM 519 CB LYS A 111 -3.353 -4.858 -8.009 1.00 0.00 C ATOM 520 CG LYS A 111 -4.689 -4.386 -7.445 1.00 0.00 C ATOM 521 CD LYS A 111 -5.833 -5.282 -7.894 1.00 0.00 C ATOM 522 CE LYS A 111 -6.201 -6.292 -6.820 1.00 0.00 C ATOM 523 NZ LYS A 111 -7.657 -6.595 -6.810 1.00 0.00 N ATOM 0 H LYS A 111 -3.612 -5.154 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.379 -5.433 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.098 -4.244 -8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.463 -5.882 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.641 -4.374 -6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.880 -3.362 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -6.703 -4.671 -8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.550 -5.806 -8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.641 -7.213 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.905 -5.907 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.937 -6.921 -5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.192 -5.737 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.861 -7.340 -7.507 1.00 0.00 H new ATOM 537 N CYS A 112 -2.087 -2.704 -5.805 1.00 0.00 N ATOM 538 CA CYS A 112 -1.766 -1.302 -5.608 1.00 0.00 C ATOM 539 C CYS A 112 -0.462 -1.126 -4.819 1.00 0.00 C ATOM 540 O CYS A 112 0.020 -0.006 -4.631 1.00 0.00 O ATOM 541 CB CYS A 112 -2.941 -0.624 -4.904 1.00 0.00 C ATOM 542 SG CYS A 112 -4.544 -0.929 -5.722 1.00 0.00 S ATOM 0 H CYS A 112 -2.644 -3.115 -5.056 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.604 -0.831 -6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.993 -0.979 -3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.760 0.450 -4.863 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.483 -0.993 -4.826 1.00 0.00 H new ATOM 547 N PHE A 113 0.112 -2.237 -4.374 1.00 0.00 N ATOM 548 CA PHE A 113 1.376 -2.207 -3.648 1.00 0.00 C ATOM 549 C PHE A 113 2.552 -2.202 -4.620 1.00 0.00 C ATOM 550 O PHE A 113 3.036 -3.257 -5.035 1.00 0.00 O ATOM 551 CB PHE A 113 1.487 -3.402 -2.697 1.00 0.00 C ATOM 552 CG PHE A 113 2.113 -3.056 -1.373 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.987 -1.781 -0.847 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.831 -4.002 -0.656 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.567 -1.451 0.362 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.409 -3.678 0.557 1.00 0.00 C ATOM 557 CZ PHE A 113 3.279 -2.398 1.066 1.00 0.00 C ATOM 0 H PHE A 113 -0.278 -3.171 -4.503 1.00 0.00 H new ATOM 0 HA PHE A 113 1.403 -1.291 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.492 -3.813 -2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.076 -4.184 -3.176 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.427 -1.034 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.939 -5.002 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.463 -0.451 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.962 -4.424 1.108 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.734 -2.142 2.012 1.00 0.00 H new ATOM 567 N THR A 114 3.012 -1.011 -4.983 1.00 0.00 N ATOM 568 CA THR A 114 4.092 -0.876 -5.950 1.00 0.00 C ATOM 569 C THR A 114 4.970 0.327 -5.632 1.00 0.00 C ATOM 570 O THR A 114 4.532 1.264 -4.961 1.00 0.00 O ATOM 571 CB THR A 114 3.539 -0.705 -7.376 1.00 0.00 C ATOM 572 OG1 THR A 114 2.245 -0.090 -7.330 1.00 0.00 O ATOM 573 CG2 THR A 114 3.442 -2.042 -8.090 1.00 0.00 C ATOM 0 H THR A 114 2.654 -0.127 -4.622 1.00 0.00 H new ATOM 0 HA THR A 114 4.684 -1.789 -5.889 1.00 0.00 H new ATOM 0 HB THR A 114 4.228 -0.067 -7.930 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.584 -0.688 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.048 -1.890 -9.095 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.432 -2.494 -8.153 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.776 -2.703 -7.536 1.00 0.00 H new ATOM 581 N CYS A 115 6.210 0.281 -6.102 1.00 0.00 N ATOM 582 CA CYS A 115 7.087 1.438 -6.074 1.00 0.00 C ATOM 583 C CYS A 115 6.587 2.465 -7.096 1.00 0.00 C ATOM 584 O CYS A 115 5.953 2.103 -8.090 1.00 0.00 O ATOM 585 CB CYS A 115 8.534 1.018 -6.375 1.00 0.00 C ATOM 586 SG CYS A 115 9.476 2.228 -7.354 1.00 0.00 S ATOM 0 H CYS A 115 6.631 -0.554 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 115 7.074 1.888 -5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.054 0.847 -5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.521 0.068 -6.909 1.00 0.00 H new ATOM 0 HG CYS A 115 10.598 2.493 -6.753 1.00 0.00 H new ATOM 591 N SER A 116 6.867 3.737 -6.852 1.00 0.00 N ATOM 592 CA SER A 116 6.345 4.804 -7.693 1.00 0.00 C ATOM 593 C SER A 116 7.323 5.187 -8.811 1.00 0.00 C ATOM 594 O SER A 116 6.915 5.737 -9.834 1.00 0.00 O ATOM 595 CB SER A 116 6.033 6.030 -6.833 1.00 0.00 C ATOM 596 OG SER A 116 6.943 6.133 -5.747 1.00 0.00 O ATOM 0 H SER A 116 7.452 4.055 -6.079 1.00 0.00 H new ATOM 0 HA SER A 116 5.434 4.438 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.087 6.931 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.014 5.963 -6.453 1.00 0.00 H new ATOM 0 HG SER A 116 6.687 5.499 -5.045 1.00 0.00 H new ATOM 602 N THR A 117 8.603 4.883 -8.626 1.00 0.00 N ATOM 603 CA THR A 117 9.631 5.348 -9.553 1.00 0.00 C ATOM 604 C THR A 117 9.974 4.293 -10.601 1.00 0.00 C ATOM 605 O THR A 117 9.962 4.571 -11.802 1.00 0.00 O ATOM 606 CB THR A 117 10.911 5.736 -8.799 1.00 0.00 C ATOM 607 OG1 THR A 117 10.582 6.091 -7.447 1.00 0.00 O ATOM 608 CG2 THR A 117 11.613 6.901 -9.483 1.00 0.00 C ATOM 0 H THR A 117 8.953 4.321 -7.850 1.00 0.00 H new ATOM 0 HA THR A 117 9.222 6.222 -10.060 1.00 0.00 H new ATOM 0 HB THR A 117 11.588 4.882 -8.800 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.398 6.101 -6.904 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.517 7.157 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 117 11.879 6.618 -10.502 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.947 7.763 -9.508 1.00 0.00 H new ATOM 616 N CYS A 118 10.261 3.086 -10.144 1.00 0.00 N ATOM 617 CA CYS A 118 10.610 2.002 -11.047 1.00 0.00 C ATOM 618 C CYS A 118 9.410 1.087 -11.234 1.00 0.00 C ATOM 619 O CYS A 118 9.418 0.191 -12.080 1.00 0.00 O ATOM 620 CB CYS A 118 11.804 1.216 -10.500 1.00 0.00 C ATOM 621 SG CYS A 118 12.753 2.107 -9.223 1.00 0.00 S ATOM 0 H CYS A 118 10.259 2.832 -9.156 1.00 0.00 H new ATOM 0 HA CYS A 118 10.892 2.419 -12.014 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.446 0.275 -10.082 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.470 0.966 -11.325 1.00 0.00 H new ATOM 0 HG CYS A 118 12.730 1.430 -8.113 1.00 0.00 H new ATOM 626 N ARG A 119 8.382 1.338 -10.426 1.00 0.00 N ATOM 627 CA ARG A 119 7.148 0.565 -10.454 1.00 0.00 C ATOM 628 C ARG A 119 7.422 -0.889 -10.083 1.00 0.00 C ATOM 629 O ARG A 119 6.940 -1.823 -10.727 1.00 0.00 O ATOM 630 CB ARG A 119 6.472 0.668 -11.828 1.00 0.00 C ATOM 631 CG ARG A 119 5.042 0.154 -11.853 1.00 0.00 C ATOM 632 CD ARG A 119 4.087 1.076 -11.115 1.00 0.00 C ATOM 633 NE ARG A 119 2.810 1.193 -11.817 1.00 0.00 N ATOM 634 CZ ARG A 119 1.624 0.913 -11.274 1.00 0.00 C ATOM 635 NH1 ARG A 119 1.522 0.606 -9.986 1.00 0.00 N ATOM 636 NH2 ARG A 119 0.534 0.962 -12.020 1.00 0.00 N ATOM 0 H ARG A 119 8.384 2.086 -9.732 1.00 0.00 H new ATOM 0 HA ARG A 119 6.463 0.980 -9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.478 1.710 -12.147 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.061 0.108 -12.554 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.714 0.047 -12.887 1.00 0.00 H new ATOM 0 HG3 ARG A 119 5.007 -0.838 -11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.917 0.696 -10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 119 4.539 2.063 -11.011 1.00 0.00 H new ATOM 0 HE ARG A 119 2.827 1.510 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.356 0.582 -9.400 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.609 0.394 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.602 1.213 -13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.375 0.749 -11.609 1.00 0.00 H new ATOM 650 N ASN A 120 8.215 -1.077 -9.041 1.00 0.00 N ATOM 651 CA ASN A 120 8.494 -2.412 -8.538 1.00 0.00 C ATOM 652 C ASN A 120 7.340 -2.880 -7.667 1.00 0.00 C ATOM 653 O ASN A 120 7.020 -2.245 -6.666 1.00 0.00 O ATOM 654 CB ASN A 120 9.795 -2.429 -7.728 1.00 0.00 C ATOM 655 CG ASN A 120 10.152 -3.824 -7.251 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.429 -4.716 -8.057 1.00 0.00 O ATOM 657 ND2 ASN A 120 10.152 -4.022 -5.940 1.00 0.00 N ATOM 0 H ASN A 120 8.676 -0.325 -8.528 1.00 0.00 H new ATOM 0 HA ASN A 120 8.609 -3.086 -9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 120 10.607 -2.036 -8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.695 -1.767 -6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 120 10.387 -4.940 -5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.917 -3.256 -5.309 1.00 0.00 H new ATOM 664 N ARG A 121 6.691 -3.962 -8.064 1.00 0.00 N ATOM 665 CA ARG A 121 5.603 -4.518 -7.273 1.00 0.00 C ATOM 666 C ARG A 121 6.151 -5.123 -5.989 1.00 0.00 C ATOM 667 O ARG A 121 6.811 -6.163 -6.013 1.00 0.00 O ATOM 668 CB ARG A 121 4.828 -5.569 -8.069 1.00 0.00 C ATOM 669 CG ARG A 121 3.786 -6.304 -7.243 1.00 0.00 C ATOM 670 CD ARG A 121 2.386 -6.094 -7.788 1.00 0.00 C ATOM 671 NE ARG A 121 1.421 -6.977 -7.136 1.00 0.00 N ATOM 672 CZ ARG A 121 1.197 -8.238 -7.506 1.00 0.00 C ATOM 673 NH1 ARG A 121 1.799 -8.737 -8.584 1.00 0.00 N ATOM 674 NH2 ARG A 121 0.354 -8.995 -6.818 1.00 0.00 N ATOM 0 H ARG A 121 6.896 -4.471 -8.924 1.00 0.00 H new ATOM 0 HA ARG A 121 4.914 -3.712 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.337 -5.085 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.531 -6.293 -8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 121 4.016 -7.369 -7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.830 -5.958 -6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.089 -5.056 -7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.381 -6.277 -8.862 1.00 0.00 H new ATOM 0 HE ARG A 121 0.887 -6.606 -6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.434 -8.154 -9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.625 -9.702 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.126 -8.613 -6.003 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.185 -9.959 -7.104 1.00 0.00 H new ATOM 688 N LEU A 122 5.888 -4.452 -4.882 1.00 0.00 N ATOM 689 CA LEU A 122 6.351 -4.902 -3.582 1.00 0.00 C ATOM 690 C LEU A 122 5.579 -6.145 -3.165 1.00 0.00 C ATOM 691 O LEU A 122 4.348 -6.163 -3.200 1.00 0.00 O ATOM 692 CB LEU A 122 6.185 -3.791 -2.545 1.00 0.00 C ATOM 693 CG LEU A 122 6.298 -2.368 -3.104 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.565 -1.387 -2.209 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.756 -1.964 -3.258 1.00 0.00 C ATOM 0 H LEU A 122 5.351 -3.585 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 122 7.410 -5.151 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.212 -3.902 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 122 6.939 -3.922 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 122 5.834 -2.350 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.655 -0.382 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.512 -1.663 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.000 -1.411 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.813 -0.951 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.248 -2.000 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.254 -2.651 -3.942 1.00 0.00 H new ATOM 707 N VAL A 123 6.306 -7.177 -2.777 1.00 0.00 N ATOM 708 CA VAL A 123 5.705 -8.466 -2.491 1.00 0.00 C ATOM 709 C VAL A 123 6.452 -9.141 -1.344 1.00 0.00 C ATOM 710 O VAL A 123 7.655 -8.941 -1.193 1.00 0.00 O ATOM 711 CB VAL A 123 5.715 -9.361 -3.766 1.00 0.00 C ATOM 712 CG1 VAL A 123 6.308 -10.742 -3.511 1.00 0.00 C ATOM 713 CG2 VAL A 123 4.314 -9.479 -4.339 1.00 0.00 C ATOM 0 H VAL A 123 7.318 -7.147 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 123 4.668 -8.320 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 123 6.362 -8.871 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.289 -11.322 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.338 -10.638 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 123 5.722 -11.255 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.337 -10.107 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 123 3.654 -9.926 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.944 -8.488 -4.603 1.00 0.00 H new ATOM 723 N PRO A 124 5.746 -9.915 -0.505 1.00 0.00 N ATOM 724 CA PRO A 124 6.368 -10.669 0.587 1.00 0.00 C ATOM 725 C PRO A 124 7.506 -11.555 0.083 1.00 0.00 C ATOM 726 O PRO A 124 7.288 -12.516 -0.656 1.00 0.00 O ATOM 727 CB PRO A 124 5.221 -11.519 1.153 1.00 0.00 C ATOM 728 CG PRO A 124 4.115 -11.423 0.155 1.00 0.00 C ATOM 729 CD PRO A 124 4.294 -10.112 -0.547 1.00 0.00 C ATOM 0 HA PRO A 124 6.819 -10.015 1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 124 5.533 -12.554 1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.902 -11.148 2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.157 -12.251 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.143 -11.471 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 124 3.920 -10.147 -1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.762 -9.306 -0.041 1.00 0.00 H new ATOM 737 N GLY A 125 8.720 -11.203 0.467 1.00 0.00 N ATOM 738 CA GLY A 125 9.885 -11.915 -0.011 1.00 0.00 C ATOM 739 C GLY A 125 10.777 -11.017 -0.842 1.00 0.00 C ATOM 740 O GLY A 125 11.956 -11.303 -1.043 1.00 0.00 O ATOM 0 H GLY A 125 8.921 -10.433 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 125 10.448 -12.306 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.571 -12.771 -0.608 1.00 0.00 H new ATOM 744 N ASP A 126 10.196 -9.928 -1.332 1.00 0.00 N ATOM 745 CA ASP A 126 10.939 -8.912 -2.065 1.00 0.00 C ATOM 746 C ASP A 126 11.206 -7.720 -1.148 1.00 0.00 C ATOM 747 O ASP A 126 11.246 -7.873 0.073 1.00 0.00 O ATOM 748 CB ASP A 126 10.167 -8.475 -3.318 1.00 0.00 C ATOM 749 CG ASP A 126 11.051 -7.777 -4.335 1.00 0.00 C ATOM 750 OD1 ASP A 126 11.842 -8.457 -5.016 1.00 0.00 O ATOM 751 OD2 ASP A 126 10.974 -6.534 -4.440 1.00 0.00 O ATOM 0 H ASP A 126 9.201 -9.726 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 126 11.891 -9.330 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.708 -9.349 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 126 9.357 -7.806 -3.026 1.00 0.00 H new ATOM 756 N ARG A 127 11.352 -6.534 -1.715 1.00 0.00 N ATOM 757 CA ARG A 127 11.730 -5.372 -0.938 1.00 0.00 C ATOM 758 C ARG A 127 10.680 -4.277 -1.057 1.00 0.00 C ATOM 759 O ARG A 127 9.926 -4.231 -2.028 1.00 0.00 O ATOM 760 CB ARG A 127 13.084 -4.848 -1.412 1.00 0.00 C ATOM 761 CG ARG A 127 13.033 -4.194 -2.785 1.00 0.00 C ATOM 762 CD ARG A 127 14.002 -4.846 -3.757 1.00 0.00 C ATOM 763 NE ARG A 127 13.313 -5.416 -4.907 1.00 0.00 N ATOM 764 CZ ARG A 127 13.712 -5.268 -6.165 1.00 0.00 C ATOM 765 NH1 ARG A 127 14.796 -4.552 -6.446 1.00 0.00 N ATOM 766 NH2 ARG A 127 13.020 -5.841 -7.143 1.00 0.00 N ATOM 0 H ARG A 127 11.214 -6.354 -2.709 1.00 0.00 H new ATOM 0 HA ARG A 127 11.803 -5.666 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.459 -4.125 -0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.796 -5.673 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.020 -4.261 -3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.270 -3.134 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.728 -4.107 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 127 14.561 -5.628 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 127 12.470 -5.964 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.326 -4.113 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 127 15.098 -4.442 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.188 -6.390 -6.925 1.00 0.00 H new ATOM 0 HH22 ARG A 127 13.320 -5.732 -8.112 1.00 0.00 H new ATOM 780 N PHE A 128 10.624 -3.415 -0.056 1.00 0.00 N ATOM 781 CA PHE A 128 9.754 -2.252 -0.097 1.00 0.00 C ATOM 782 C PHE A 128 10.273 -1.190 0.863 1.00 0.00 C ATOM 783 O PHE A 128 10.801 -1.515 1.923 1.00 0.00 O ATOM 784 CB PHE A 128 8.300 -2.653 0.229 1.00 0.00 C ATOM 785 CG PHE A 128 7.828 -2.292 1.614 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.245 -3.019 2.717 1.00 0.00 C ATOM 787 CD2 PHE A 128 6.962 -1.228 1.807 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.809 -2.690 3.988 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.522 -0.895 3.073 1.00 0.00 C ATOM 790 CZ PHE A 128 6.948 -1.627 4.166 1.00 0.00 C ATOM 0 H PHE A 128 11.174 -3.499 0.799 1.00 0.00 H new ATOM 0 HA PHE A 128 9.757 -1.832 -1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 128 7.639 -2.180 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.199 -3.730 0.098 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.919 -3.853 2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.627 -0.652 0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 128 8.142 -3.265 4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.846 -0.064 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.607 -1.367 5.157 1.00 0.00 H new ATOM 800 N HIS A 129 10.151 0.067 0.479 1.00 0.00 N ATOM 801 CA HIS A 129 10.579 1.160 1.333 1.00 0.00 C ATOM 802 C HIS A 129 9.409 2.085 1.622 1.00 0.00 C ATOM 803 O HIS A 129 8.780 2.613 0.704 1.00 0.00 O ATOM 804 CB HIS A 129 11.716 1.943 0.674 1.00 0.00 C ATOM 805 CG HIS A 129 13.059 1.292 0.805 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.612 1.014 2.036 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.914 0.888 -0.164 1.00 0.00 C ATOM 808 CE1 HIS A 129 14.784 0.451 1.785 1.00 0.00 C ATOM 809 NE2 HIS A 129 15.006 0.358 0.470 1.00 0.00 N ATOM 0 H HIS A 129 9.760 0.357 -0.417 1.00 0.00 H new ATOM 0 HA HIS A 129 10.943 0.743 2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.488 2.073 -0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.761 2.939 1.115 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.764 0.968 -1.231 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.472 0.111 2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.834 -0.035 0.022 1.00 0.00 H new ATOM 817 N TYR A 130 9.113 2.273 2.894 1.00 0.00 N ATOM 818 CA TYR A 130 8.036 3.152 3.297 1.00 0.00 C ATOM 819 C TYR A 130 8.589 4.266 4.164 1.00 0.00 C ATOM 820 O TYR A 130 8.861 4.072 5.349 1.00 0.00 O ATOM 821 CB TYR A 130 6.970 2.371 4.058 1.00 0.00 C ATOM 822 CG TYR A 130 5.569 2.891 3.848 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.167 3.401 2.620 1.00 0.00 C ATOM 824 CD2 TYR A 130 4.649 2.873 4.880 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.884 3.880 2.432 1.00 0.00 C ATOM 826 CE2 TYR A 130 3.365 3.347 4.703 1.00 0.00 C ATOM 827 CZ TYR A 130 2.985 3.849 3.474 1.00 0.00 C ATOM 828 OH TYR A 130 1.706 4.325 3.289 1.00 0.00 O ATOM 0 H TYR A 130 9.606 1.826 3.667 1.00 0.00 H new ATOM 0 HA TYR A 130 7.576 3.584 2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.010 1.326 3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.202 2.399 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.868 3.424 1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 130 4.941 2.481 5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.588 4.277 1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.661 3.325 5.522 1.00 0.00 H new ATOM 0 HH TYR A 130 1.591 5.158 3.793 1.00 0.00 H new ATOM 838 N ILE A 131 8.755 5.434 3.575 1.00 0.00 N ATOM 839 CA ILE A 131 9.318 6.562 4.297 1.00 0.00 C ATOM 840 C ILE A 131 8.240 7.597 4.573 1.00 0.00 C ATOM 841 O ILE A 131 7.829 8.332 3.675 1.00 0.00 O ATOM 842 CB ILE A 131 10.482 7.214 3.516 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.223 6.164 2.681 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.448 7.906 4.468 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.064 6.755 1.575 1.00 0.00 C ATOM 0 H ILE A 131 8.510 5.628 2.604 1.00 0.00 H new ATOM 0 HA ILE A 131 9.714 6.187 5.241 1.00 0.00 H new ATOM 0 HB ILE A 131 10.063 7.963 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.863 5.575 3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.496 5.478 2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.260 8.358 3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.919 8.681 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.858 7.175 5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.559 5.954 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.426 7.320 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 131 12.815 7.419 2.004 1.00 0.00 H new ATOM 857 N ASN A 132 7.770 7.622 5.817 1.00 0.00 N ATOM 858 CA ASN A 132 6.763 8.589 6.265 1.00 0.00 C ATOM 859 C ASN A 132 5.480 8.498 5.437 1.00 0.00 C ATOM 860 O ASN A 132 4.755 9.482 5.290 1.00 0.00 O ATOM 861 CB ASN A 132 7.320 10.016 6.204 1.00 0.00 C ATOM 862 CG ASN A 132 7.150 10.757 7.515 1.00 0.00 C ATOM 863 OD1 ASN A 132 7.709 10.365 8.536 1.00 0.00 O ATOM 864 ND2 ASN A 132 6.377 11.831 7.499 1.00 0.00 N ATOM 0 H ASN A 132 8.074 6.975 6.545 1.00 0.00 H new ATOM 0 HA ASN A 132 6.517 8.342 7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.378 9.980 5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 132 6.816 10.567 5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.228 12.365 8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 132 5.930 12.125 6.630 1.00 0.00 H new ATOM 871 N GLY A 133 5.194 7.317 4.908 1.00 0.00 N ATOM 872 CA GLY A 133 4.006 7.146 4.101 1.00 0.00 C ATOM 873 C GLY A 133 4.268 7.348 2.619 1.00 0.00 C ATOM 874 O GLY A 133 3.386 7.783 1.882 1.00 0.00 O ATOM 0 H GLY A 133 5.762 6.478 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.604 6.146 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.244 7.852 4.430 1.00 0.00 H new ATOM 878 N SER A 134 5.482 7.036 2.177 1.00 0.00 N ATOM 879 CA SER A 134 5.818 7.126 0.762 1.00 0.00 C ATOM 880 C SER A 134 6.381 5.795 0.275 1.00 0.00 C ATOM 881 O SER A 134 7.319 5.258 0.870 1.00 0.00 O ATOM 882 CB SER A 134 6.822 8.254 0.511 1.00 0.00 C ATOM 883 OG SER A 134 6.632 9.333 1.414 1.00 0.00 O ATOM 0 H SER A 134 6.245 6.720 2.775 1.00 0.00 H new ATOM 0 HA SER A 134 4.909 7.352 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.836 7.868 0.612 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.718 8.613 -0.513 1.00 0.00 H new ATOM 0 HG SER A 134 7.020 9.104 2.284 1.00 0.00 H new ATOM 889 N LEU A 135 5.796 5.261 -0.794 1.00 0.00 N ATOM 890 CA LEU A 135 6.161 3.936 -1.294 1.00 0.00 C ATOM 891 C LEU A 135 7.260 4.004 -2.350 1.00 0.00 C ATOM 892 O LEU A 135 7.067 4.567 -3.430 1.00 0.00 O ATOM 893 CB LEU A 135 4.933 3.236 -1.879 1.00 0.00 C ATOM 894 CG LEU A 135 4.081 2.461 -0.872 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.869 1.851 -1.557 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.907 1.379 -0.200 1.00 0.00 C ATOM 0 H LEU A 135 5.065 5.726 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 135 6.545 3.366 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.304 3.984 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.264 2.547 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 135 3.733 3.157 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.275 1.304 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.263 2.643 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.199 1.168 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.286 0.837 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.282 0.687 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.747 1.835 0.324 1.00 0.00 H new ATOM 908 N PHE A 136 8.410 3.427 -2.021 1.00 0.00 N ATOM 909 CA PHE A 136 9.539 3.336 -2.939 1.00 0.00 C ATOM 910 C PHE A 136 10.144 1.939 -2.863 1.00 0.00 C ATOM 911 O PHE A 136 9.674 1.100 -2.088 1.00 0.00 O ATOM 912 CB PHE A 136 10.612 4.374 -2.594 1.00 0.00 C ATOM 913 CG PHE A 136 10.107 5.785 -2.504 1.00 0.00 C ATOM 914 CD1 PHE A 136 9.628 6.441 -3.627 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.120 6.460 -1.296 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.170 7.741 -3.543 1.00 0.00 C ATOM 917 CE2 PHE A 136 9.663 7.761 -1.207 1.00 0.00 C ATOM 918 CZ PHE A 136 9.187 8.403 -2.332 1.00 0.00 C ATOM 0 H PHE A 136 8.586 3.008 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 136 9.179 3.533 -3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.068 4.103 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.398 4.330 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.613 5.930 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.492 5.964 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 136 8.798 8.240 -4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.678 8.275 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 136 8.829 9.420 -2.265 1.00 0.00 H new ATOM 928 N CYS A 137 11.175 1.686 -3.658 1.00 0.00 N ATOM 929 CA CYS A 137 11.863 0.410 -3.614 1.00 0.00 C ATOM 930 C CYS A 137 13.379 0.607 -3.694 1.00 0.00 C ATOM 931 O CYS A 137 13.863 1.737 -3.802 1.00 0.00 O ATOM 932 CB CYS A 137 11.352 -0.503 -4.735 1.00 0.00 C ATOM 933 SG CYS A 137 12.222 -0.342 -6.326 1.00 0.00 S ATOM 0 H CYS A 137 11.550 2.347 -4.338 1.00 0.00 H new ATOM 0 HA CYS A 137 11.649 -0.074 -2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.428 -1.538 -4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.294 -0.296 -4.896 1.00 0.00 H new ATOM 0 HG CYS A 137 12.699 -1.499 -6.679 1.00 0.00 H new ATOM 938 N GLU A 138 14.123 -0.494 -3.646 1.00 0.00 N ATOM 939 CA GLU A 138 15.584 -0.434 -3.634 1.00 0.00 C ATOM 940 C GLU A 138 16.134 -0.064 -5.007 1.00 0.00 C ATOM 941 O GLU A 138 17.293 0.329 -5.133 1.00 0.00 O ATOM 942 CB GLU A 138 16.187 -1.773 -3.195 1.00 0.00 C ATOM 943 CG GLU A 138 15.606 -2.317 -1.903 1.00 0.00 C ATOM 944 CD GLU A 138 16.426 -1.961 -0.683 1.00 0.00 C ATOM 945 OE1 GLU A 138 17.073 -0.899 -0.690 1.00 0.00 O ATOM 946 OE2 GLU A 138 16.401 -2.730 0.295 1.00 0.00 O ATOM 0 H GLU A 138 13.740 -1.439 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 138 15.866 0.339 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 138 16.034 -2.506 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 138 17.264 -1.653 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 138 14.594 -1.932 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 138 15.528 -3.402 -1.976 1.00 0.00 H new ATOM 953 N HIS A 139 15.301 -0.180 -6.032 1.00 0.00 N ATOM 954 CA HIS A 139 15.741 0.077 -7.397 1.00 0.00 C ATOM 955 C HIS A 139 15.811 1.572 -7.672 1.00 0.00 C ATOM 956 O HIS A 139 16.358 2.000 -8.692 1.00 0.00 O ATOM 957 CB HIS A 139 14.803 -0.603 -8.393 1.00 0.00 C ATOM 958 CG HIS A 139 15.337 -1.889 -8.943 1.00 0.00 C ATOM 959 ND1 HIS A 139 16.577 -2.371 -8.591 1.00 0.00 N ATOM 960 CD2 HIS A 139 14.751 -2.759 -9.792 1.00 0.00 C ATOM 961 CE1 HIS A 139 16.710 -3.522 -9.226 1.00 0.00 C ATOM 962 NE2 HIS A 139 15.629 -3.796 -9.966 1.00 0.00 N ATOM 0 H HIS A 139 14.321 -0.449 -5.946 1.00 0.00 H new ATOM 0 HA HIS A 139 16.742 -0.338 -7.517 1.00 0.00 H new ATOM 0 HB2 HIS A 139 13.848 -0.796 -7.905 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.607 0.081 -9.219 1.00 0.00 H new ATOM 0 HD2 HIS A 139 13.777 -2.657 -10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 139 17.579 -4.160 -9.157 1.00 0.00 H new ATOM 0 HE2 HIS A 139 15.486 -4.621 -10.549 1.00 0.00 H new ATOM 970 N ASP A 140 15.264 2.366 -6.759 1.00 0.00 N ATOM 971 CA ASP A 140 15.322 3.818 -6.892 1.00 0.00 C ATOM 972 C ASP A 140 15.874 4.469 -5.622 1.00 0.00 C ATOM 973 O ASP A 140 16.759 5.319 -5.702 1.00 0.00 O ATOM 974 CB ASP A 140 13.951 4.401 -7.278 1.00 0.00 C ATOM 975 CG ASP A 140 12.866 4.218 -6.233 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.476 3.064 -5.947 1.00 0.00 O ATOM 977 OD2 ASP A 140 12.395 5.250 -5.701 1.00 0.00 O ATOM 0 H ASP A 140 14.779 2.034 -5.925 1.00 0.00 H new ATOM 0 HA ASP A 140 16.012 4.049 -7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 140 14.068 5.466 -7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.623 3.936 -8.208 1.00 0.00 H new ATOM 982 N ARG A 141 15.354 4.056 -4.466 1.00 0.00 N ATOM 983 CA ARG A 141 15.877 4.468 -3.155 1.00 0.00 C ATOM 984 C ARG A 141 16.132 5.976 -3.045 1.00 0.00 C ATOM 985 O ARG A 141 17.283 6.410 -2.953 1.00 0.00 O ATOM 986 CB ARG A 141 17.176 3.712 -2.857 1.00 0.00 C ATOM 987 CG ARG A 141 17.108 2.842 -1.613 1.00 0.00 C ATOM 988 CD ARG A 141 18.290 3.086 -0.685 1.00 0.00 C ATOM 989 NE ARG A 141 18.240 2.223 0.492 1.00 0.00 N ATOM 990 CZ ARG A 141 18.877 1.055 0.583 1.00 0.00 C ATOM 991 NH1 ARG A 141 19.717 0.670 -0.370 1.00 0.00 N ATOM 992 NH2 ARG A 141 18.703 0.282 1.645 1.00 0.00 N ATOM 0 H ARG A 141 14.555 3.424 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 141 15.107 4.223 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 141 17.426 3.086 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 141 17.986 4.432 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 141 16.179 3.044 -1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 141 17.086 1.792 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 141 19.220 2.910 -1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 141 18.297 4.130 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 141 17.686 2.531 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 141 19.879 1.269 -1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 141 20.200 -0.225 -0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 141 18.080 0.580 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 141 19.192 -0.611 1.712 1.00 0.00 H new ATOM 1006 N PRO A 142 15.072 6.800 -3.045 1.00 0.00 N ATOM 1007 CA PRO A 142 15.194 8.244 -2.916 1.00 0.00 C ATOM 1008 C PRO A 142 15.041 8.724 -1.479 1.00 0.00 C ATOM 1009 O PRO A 142 14.951 7.916 -0.551 1.00 0.00 O ATOM 1010 CB PRO A 142 14.029 8.735 -3.765 1.00 0.00 C ATOM 1011 CG PRO A 142 12.965 7.697 -3.573 1.00 0.00 C ATOM 1012 CD PRO A 142 13.662 6.406 -3.187 1.00 0.00 C ATOM 0 HA PRO A 142 16.174 8.610 -3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 142 13.688 9.718 -3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 142 14.312 8.825 -4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 142 12.265 8.003 -2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 142 12.388 7.564 -4.488 1.00 0.00 H new ATOM 0 HD2 PRO A 142 13.264 5.999 -2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.536 5.639 -3.951 1.00 0.00 H new ATOM 1020 N THR A 143 14.998 10.049 -1.320 1.00 0.00 N ATOM 1021 CA THR A 143 14.929 10.694 -0.013 1.00 0.00 C ATOM 1022 C THR A 143 16.288 10.639 0.674 1.00 0.00 C ATOM 1023 O THR A 143 16.839 9.559 0.897 1.00 0.00 O ATOM 1024 CB THR A 143 13.862 10.056 0.905 1.00 0.00 C ATOM 1025 OG1 THR A 143 12.656 9.819 0.167 1.00 0.00 O ATOM 1026 CG2 THR A 143 13.563 10.953 2.095 1.00 0.00 C ATOM 0 H THR A 143 15.010 10.705 -2.101 1.00 0.00 H new ATOM 0 HA THR A 143 14.640 11.730 -0.186 1.00 0.00 H new ATOM 0 HB THR A 143 14.255 9.109 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 143 11.986 9.413 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 143 12.809 10.482 2.726 1.00 0.00 H new ATOM 0 HG22 THR A 143 14.474 11.107 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 143 13.191 11.914 1.741 1.00 0.00 H new ATOM 1034 N ALA A 144 16.826 11.806 1.012 1.00 0.00 N ATOM 1035 CA ALA A 144 18.125 11.900 1.673 1.00 0.00 C ATOM 1036 C ALA A 144 18.020 11.510 3.144 1.00 0.00 C ATOM 1037 O ALA A 144 18.650 12.119 4.012 1.00 0.00 O ATOM 1038 CB ALA A 144 18.687 13.308 1.532 1.00 0.00 C ATOM 0 H ALA A 144 16.380 12.707 0.838 1.00 0.00 H new ATOM 0 HA ALA A 144 18.806 11.201 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 144 19.655 13.365 2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 144 18.807 13.548 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 144 18.002 14.021 1.990 1.00 0.00 H new ATOM 1044 N LEU A 145 17.230 10.480 3.410 1.00 0.00 N ATOM 1045 CA LEU A 145 17.010 9.994 4.767 1.00 0.00 C ATOM 1046 C LEU A 145 16.429 8.588 4.731 1.00 0.00 C ATOM 1047 O LEU A 145 15.725 8.169 5.648 1.00 0.00 O ATOM 1048 CB LEU A 145 16.071 10.931 5.534 1.00 0.00 C ATOM 1049 CG LEU A 145 16.746 11.796 6.604 1.00 0.00 C ATOM 1050 CD1 LEU A 145 15.824 12.925 7.034 1.00 0.00 C ATOM 1051 CD2 LEU A 145 17.149 10.955 7.808 1.00 0.00 C ATOM 0 H LEU A 145 16.724 9.958 2.694 1.00 0.00 H new ATOM 0 HA LEU A 145 17.970 9.970 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 145 15.574 11.587 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 145 15.295 10.332 6.010 1.00 0.00 H new ATOM 0 HG LEU A 145 17.649 12.227 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 145 16.319 13.529 7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 145 15.586 13.549 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 145 14.905 12.508 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 145 17.626 11.592 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 145 16.263 10.491 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 145 17.847 10.180 7.493 1.00 0.00 H new ATOM 1063 N ILE A 146 16.734 7.866 3.660 1.00 0.00 N ATOM 1064 CA ILE A 146 16.253 6.501 3.485 1.00 0.00 C ATOM 1065 C ILE A 146 17.096 5.535 4.322 1.00 0.00 C ATOM 1066 O ILE A 146 16.705 4.387 4.560 1.00 0.00 O ATOM 1067 CB ILE A 146 16.292 6.096 1.991 1.00 0.00 C ATOM 1068 CG1 ILE A 146 15.629 4.737 1.773 1.00 0.00 C ATOM 1069 CG2 ILE A 146 17.724 6.074 1.476 1.00 0.00 C ATOM 1070 CD1 ILE A 146 14.839 4.651 0.492 1.00 0.00 C ATOM 0 H ILE A 146 17.316 8.206 2.895 1.00 0.00 H new ATOM 0 HA ILE A 146 15.219 6.451 3.825 1.00 0.00 H new ATOM 0 HB ILE A 146 15.732 6.843 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 146 16.397 3.964 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 146 14.968 4.526 2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 146 17.728 5.787 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 146 18.165 7.065 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 146 18.306 5.354 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 146 14.397 3.659 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 146 14.048 5.401 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 146 15.500 4.831 -0.356 1.00 0.00 H new ATOM 1146 N GLY A 207 16.622 -3.449 2.817 1.00 0.00 N ATOM 1147 CA GLY A 207 16.335 -2.486 3.861 1.00 0.00 C ATOM 1148 C GLY A 207 15.068 -2.832 4.616 1.00 0.00 C ATOM 1149 O GLY A 207 15.017 -2.727 5.840 1.00 0.00 O ATOM 0 HA2 GLY A 207 17.173 -2.445 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 207 16.236 -1.493 3.422 1.00 0.00 H new ATOM 1153 N SER A 208 14.042 -3.246 3.880 1.00 0.00 N ATOM 1154 CA SER A 208 12.781 -3.659 4.478 1.00 0.00 C ATOM 1155 C SER A 208 12.032 -4.619 3.547 1.00 0.00 C ATOM 1156 O SER A 208 11.973 -4.408 2.331 1.00 0.00 O ATOM 1157 CB SER A 208 11.919 -2.431 4.801 1.00 0.00 C ATOM 1158 OG SER A 208 12.456 -1.705 5.899 1.00 0.00 O ATOM 0 H SER A 208 14.062 -3.304 2.862 1.00 0.00 H new ATOM 0 HA SER A 208 12.993 -4.186 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 208 11.860 -1.783 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 208 10.902 -2.747 5.032 1.00 0.00 H new ATOM 0 HG SER A 208 13.385 -1.978 6.048 1.00 0.00 H new ATOM 1164 N ILE A 404 11.488 -5.684 4.123 1.00 0.00 N ATOM 1165 CA ILE A 404 10.735 -6.676 3.363 1.00 0.00 C ATOM 1166 C ILE A 404 9.248 -6.348 3.397 1.00 0.00 C ATOM 1167 O ILE A 404 8.708 -5.998 4.448 1.00 0.00 O ATOM 1168 CB ILE A 404 10.950 -8.100 3.924 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.448 -8.413 4.049 1.00 0.00 C ATOM 1170 CG2 ILE A 404 10.250 -9.134 3.048 1.00 0.00 C ATOM 1171 CD1 ILE A 404 13.143 -8.639 2.721 1.00 0.00 C ATOM 0 H ILE A 404 11.555 -5.884 5.121 1.00 0.00 H new ATOM 0 HA ILE A 404 11.099 -6.646 2.336 1.00 0.00 H new ATOM 0 HB ILE A 404 10.510 -8.146 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.939 -7.590 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.573 -9.301 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 404 10.413 -10.130 3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 404 9.181 -8.924 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.655 -9.088 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 404 14.197 -8.854 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.680 -9.481 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 404 13.052 -7.744 2.106 1.00 0.00 H new ATOM 1183 N ALA A 405 8.596 -6.455 2.244 1.00 0.00 N ATOM 1184 CA ALA A 405 7.175 -6.150 2.128 1.00 0.00 C ATOM 1185 C ALA A 405 6.336 -7.059 3.028 1.00 0.00 C ATOM 1186 O ALA A 405 6.658 -8.237 3.209 1.00 0.00 O ATOM 1187 CB ALA A 405 6.734 -6.277 0.678 1.00 0.00 C ATOM 0 H ALA A 405 9.033 -6.753 1.372 1.00 0.00 H new ATOM 0 HA ALA A 405 7.017 -5.123 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.671 -6.048 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.302 -5.580 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.912 -7.295 0.331 1.00 0.00 H new ATOM 1193 N PRO A 406 5.262 -6.514 3.626 1.00 0.00 N ATOM 1194 CA PRO A 406 4.367 -7.280 4.499 1.00 0.00 C ATOM 1195 C PRO A 406 3.451 -8.221 3.718 1.00 0.00 C ATOM 1196 O PRO A 406 3.689 -8.505 2.543 1.00 0.00 O ATOM 1197 CB PRO A 406 3.550 -6.194 5.202 1.00 0.00 C ATOM 1198 CG PRO A 406 3.523 -5.063 4.233 1.00 0.00 C ATOM 1199 CD PRO A 406 4.841 -5.104 3.508 1.00 0.00 C ATOM 0 HA PRO A 406 4.918 -7.929 5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.544 -6.542 5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 406 4.010 -5.898 6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 406 2.691 -5.167 3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 406 3.391 -4.111 4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.734 -4.804 2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.568 -4.430 3.961 1.00 0.00 H new ATOM 1207 N PHE A 407 2.410 -8.703 4.378 1.00 0.00 N ATOM 1208 CA PHE A 407 1.469 -9.613 3.749 1.00 0.00 C ATOM 1209 C PHE A 407 0.088 -8.979 3.692 1.00 0.00 C ATOM 1210 O PHE A 407 -0.288 -8.219 4.589 1.00 0.00 O ATOM 1211 CB PHE A 407 1.396 -10.937 4.521 1.00 0.00 C ATOM 1212 CG PHE A 407 2.618 -11.803 4.393 1.00 0.00 C ATOM 1213 CD1 PHE A 407 3.780 -11.500 5.085 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.597 -12.934 3.592 1.00 0.00 C ATOM 1215 CE1 PHE A 407 4.898 -12.307 4.980 1.00 0.00 C ATOM 1216 CE2 PHE A 407 3.712 -13.741 3.480 1.00 0.00 C ATOM 1217 CZ PHE A 407 4.864 -13.430 4.175 1.00 0.00 C ATOM 0 H PHE A 407 2.196 -8.478 5.350 1.00 0.00 H new ATOM 0 HA PHE A 407 1.816 -9.817 2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.230 -10.719 5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.530 -11.499 4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 407 3.813 -10.623 5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.698 -13.187 3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 407 5.796 -12.060 5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.683 -14.616 2.848 1.00 0.00 H new ATOM 0 HZ PHE A 407 5.736 -14.062 4.090 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.678 -9.272 2.633 1.00 0.00 N ATOM 1228 CA PRO A 408 -2.031 -8.751 2.475 1.00 0.00 C ATOM 1229 C PRO A 408 -3.041 -9.488 3.352 1.00 0.00 C ATOM 1230 O PRO A 408 -3.157 -10.716 3.302 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.327 -8.992 0.994 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.507 -10.181 0.635 1.00 0.00 C ATOM 1233 CD PRO A 408 -0.276 -10.126 1.501 1.00 0.00 C ATOM 0 HA PRO A 408 -2.107 -7.706 2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.388 -9.177 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.056 -8.126 0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -2.063 -11.103 0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -1.240 -10.164 -0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.022 -11.120 1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.573 -9.703 0.963 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.768 -8.731 4.155 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.793 -9.285 5.027 1.00 0.00 C ATOM 1243 C GLU A 409 -6.086 -8.500 4.856 1.00 0.00 C ATOM 1244 O GLU A 409 -6.055 -7.332 4.479 1.00 0.00 O ATOM 1245 CB GLU A 409 -4.335 -9.236 6.491 1.00 0.00 C ATOM 1246 CG GLU A 409 -4.067 -10.607 7.100 1.00 0.00 C ATOM 1247 CD GLU A 409 -3.476 -10.530 8.501 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -3.054 -9.430 8.921 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -3.439 -11.573 9.192 1.00 0.00 O ATOM 0 H GLU A 409 -3.666 -7.718 4.222 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.965 -10.326 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -3.428 -8.636 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -5.097 -8.729 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -4.999 -11.171 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -3.385 -11.159 6.453 1.00 0.00 H new ATOM 1256 N ALA A 410 -7.215 -9.141 5.103 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.501 -8.466 5.008 1.00 0.00 C ATOM 1258 C ALA A 410 -8.732 -7.591 6.232 1.00 0.00 C ATOM 1259 O ALA A 410 -8.920 -8.088 7.342 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.631 -9.472 4.847 1.00 0.00 C ATOM 0 H ALA A 410 -7.269 -10.124 5.370 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.488 -7.829 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.582 -8.943 4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.473 -10.054 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -9.649 -10.140 5.708 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.705 -6.283 6.024 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.881 -5.335 7.110 1.00 0.00 C ATOM 1268 C ALA A 411 -10.344 -4.910 7.237 1.00 0.00 C ATOM 1269 O ALA A 411 -11.249 -5.745 7.178 1.00 0.00 O ATOM 1270 CB ALA A 411 -7.975 -4.130 6.901 1.00 0.00 C ATOM 0 H ALA A 411 -8.562 -5.855 5.109 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.601 -5.821 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.114 -3.424 7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.935 -4.457 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.226 -3.645 5.958 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.575 -3.616 7.411 1.00 0.00 N ATOM 1277 CA LEU A 412 -11.928 -3.093 7.534 1.00 0.00 C ATOM 1278 C LEU A 412 -12.558 -2.927 6.154 1.00 0.00 C ATOM 1279 O LEU A 412 -11.955 -2.338 5.255 1.00 0.00 O ATOM 1280 CB LEU A 412 -11.919 -1.753 8.276 1.00 0.00 C ATOM 1281 CG LEU A 412 -10.654 -0.910 8.091 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -10.995 0.433 7.466 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -9.950 -0.713 9.423 1.00 0.00 C ATOM 0 H LEU A 412 -9.842 -2.909 7.470 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.523 -3.804 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -12.777 -1.168 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -12.055 -1.945 9.340 1.00 0.00 H new ATOM 0 HG LEU A 412 -9.980 -1.441 7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -10.084 1.018 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -11.459 0.274 6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -11.687 0.971 8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -9.053 -0.112 9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -10.619 -0.202 10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -9.673 -1.683 9.835 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.770 -3.463 5.969 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.479 -3.389 4.692 1.00 0.00 C ATOM 1297 C PRO A 413 -15.141 -2.030 4.466 1.00 0.00 C ATOM 1298 O PRO A 413 -15.292 -1.229 5.397 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.535 -4.487 4.821 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.830 -4.554 6.280 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.550 -4.190 6.991 1.00 0.00 C ATOM 0 HA PRO A 413 -13.808 -3.515 3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.429 -4.247 4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.163 -5.441 4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -16.631 -3.865 6.546 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -16.161 -5.553 6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.742 -3.567 7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -14.021 -5.077 7.341 1.00 0.00 H new ATOM 1309 N THR A 414 -15.531 -1.777 3.225 1.00 0.00 N ATOM 1310 CA THR A 414 -16.189 -0.531 2.863 1.00 0.00 C ATOM 1311 C THR A 414 -17.644 -0.523 3.335 1.00 0.00 C ATOM 1312 O THR A 414 -18.204 -1.562 3.697 1.00 0.00 O ATOM 1313 CB THR A 414 -16.136 -0.297 1.337 1.00 0.00 C ATOM 1314 OG1 THR A 414 -16.369 1.087 1.036 1.00 0.00 O ATOM 1315 CG2 THR A 414 -17.159 -1.158 0.606 1.00 0.00 C ATOM 0 H THR A 414 -15.402 -2.424 2.447 1.00 0.00 H new ATOM 0 HA THR A 414 -15.652 0.277 3.360 1.00 0.00 H new ATOM 0 HB THR A 414 -15.141 -0.581 0.995 1.00 0.00 H new ATOM 0 HG1 THR A 414 -17.205 1.176 0.533 1.00 0.00 H new ATOM 0 HG21 THR A 414 -17.095 -0.969 -0.465 1.00 0.00 H new ATOM 0 HG22 THR A 414 -16.955 -2.211 0.801 1.00 0.00 H new ATOM 0 HG23 THR A 414 -18.160 -0.911 0.959 1.00 0.00 H new ATOM 1323 N SER A 415 -18.238 0.661 3.343 1.00 0.00 N ATOM 1324 CA SER A 415 -19.635 0.821 3.706 1.00 0.00 C ATOM 1325 C SER A 415 -20.541 0.237 2.627 1.00 0.00 C ATOM 1326 O SER A 415 -20.314 0.455 1.435 1.00 0.00 O ATOM 1327 CB SER A 415 -19.936 2.304 3.901 1.00 0.00 C ATOM 1328 OG SER A 415 -18.816 2.970 4.469 1.00 0.00 O ATOM 0 H SER A 415 -17.767 1.532 3.099 1.00 0.00 H new ATOM 0 HA SER A 415 -19.826 0.285 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 415 -20.189 2.758 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 415 -20.804 2.423 4.549 1.00 0.00 H new ATOM 0 HG SER A 415 -19.025 3.920 4.586 1.00 0.00 H new