USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 CYS SG : rot -154:sc= 1.2 USER MOD Set 1.2: A 118 CYS SG : rot 129:sc= -6.18! USER MOD Set 1.3: A 137 CYS SG : rot -48:sc= 0.216 USER MOD Set 2.1: A 87 CYS SG : rot -173:sc= 2.29 USER MOD Set 2.2: A 90 CYS SG : rot 136:sc= 0.835 USER MOD Set 2.3: A 109 HIS : no HD1:sc= -2.07! K(o=-5.3!,f=-5.8) USER MOD Set 2.4: A 112 CYS SG : rot -121:sc= -6.32! USER MOD Single : A 83 ASN : amide:sc= -0.362 K(o=-0.36,f=-1.9!) USER MOD Single : A 84 SER OG : rot 145:sc= 0.111 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0406 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 93 SER OG : rot -112:sc= 0.968 USER MOD Single : A 97 SER OG : rot 180:sc= 0.128 USER MOD Single : A 101 MET CE :methyl -125:sc= -0.286 (180deg=-4.13!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 106 ASN : amide:sc= 0.119 K(o=0.12,f=-3.3!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -112:sc= 1.25 (180deg=-0.497) USER MOD Single : A 114 THR OG1 : rot -160:sc= -0.0136 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot -179:sc= 0.584 USER MOD Single : A 120 ASN :FLIP amide:sc= -0.128 F(o=-0.95,f=-0.13) USER MOD Single : A 129 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.2) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.3!) USER MOD Single : A 134 SER OG : rot 77:sc= 0.837 USER MOD Single : A 139 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.00031) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 208 SER OG : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot 180:sc= 0.00397 USER MOD Single : A 415 SER OG : rot 180:sc= 0.0473 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -14.816 8.621 -0.625 1.00 0.00 N ATOM 62 CA ARG A 79 -14.863 7.862 -1.868 1.00 0.00 C ATOM 63 C ARG A 79 -15.153 6.411 -1.538 1.00 0.00 C ATOM 64 O ARG A 79 -15.152 5.537 -2.402 1.00 0.00 O ATOM 65 CB ARG A 79 -13.537 7.964 -2.628 1.00 0.00 C ATOM 66 CG ARG A 79 -13.683 7.753 -4.128 1.00 0.00 C ATOM 67 CD ARG A 79 -12.333 7.774 -4.832 1.00 0.00 C ATOM 68 NE ARG A 79 -12.045 6.525 -5.549 1.00 0.00 N ATOM 69 CZ ARG A 79 -12.477 6.250 -6.787 1.00 0.00 C ATOM 70 NH1 ARG A 79 -13.288 7.089 -7.419 1.00 0.00 N ATOM 71 NH2 ARG A 79 -12.112 5.122 -7.384 1.00 0.00 N ATOM 0 HA ARG A 79 -15.647 8.272 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.098 8.945 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.841 7.225 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.177 6.799 -4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.323 8.531 -4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.309 8.606 -5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.548 7.955 -4.098 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.480 5.822 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.587 7.951 -6.962 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.612 6.872 -8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.502 4.463 -6.900 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.442 4.914 -8.327 1.00 0.00 H new ATOM 85 N LEU A 80 -15.421 6.173 -0.266 1.00 0.00 N ATOM 86 CA LEU A 80 -15.574 4.829 0.240 1.00 0.00 C ATOM 87 C LEU A 80 -17.043 4.448 0.281 1.00 0.00 C ATOM 88 O LEU A 80 -17.823 5.026 1.039 1.00 0.00 O ATOM 89 CB LEU A 80 -14.949 4.699 1.636 1.00 0.00 C ATOM 90 CG LEU A 80 -14.498 6.014 2.286 1.00 0.00 C ATOM 91 CD1 LEU A 80 -14.619 5.930 3.801 1.00 0.00 C ATOM 92 CD2 LEU A 80 -13.070 6.357 1.882 1.00 0.00 C ATOM 0 H LEU A 80 -15.537 6.903 0.437 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.053 4.147 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.672 4.218 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -14.088 4.034 1.568 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.152 6.810 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.295 6.871 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -15.657 5.739 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.992 5.119 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.773 7.293 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -12.400 5.560 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -13.014 6.464 0.799 1.00 0.00 H new ATOM 104 N PHE A 81 -17.410 3.492 -0.557 1.00 0.00 N ATOM 105 CA PHE A 81 -18.759 2.945 -0.566 1.00 0.00 C ATOM 106 C PHE A 81 -19.053 2.317 0.789 1.00 0.00 C ATOM 107 O PHE A 81 -20.157 2.420 1.324 1.00 0.00 O ATOM 108 CB PHE A 81 -18.886 1.911 -1.687 1.00 0.00 C ATOM 109 CG PHE A 81 -19.067 2.514 -3.058 1.00 0.00 C ATOM 110 CD1 PHE A 81 -18.182 3.472 -3.542 1.00 0.00 C ATOM 111 CD2 PHE A 81 -20.119 2.118 -3.867 1.00 0.00 C ATOM 112 CE1 PHE A 81 -18.348 4.023 -4.800 1.00 0.00 C ATOM 113 CE2 PHE A 81 -20.287 2.666 -5.128 1.00 0.00 C ATOM 114 CZ PHE A 81 -19.400 3.618 -5.592 1.00 0.00 C ATOM 0 H PHE A 81 -16.786 3.074 -1.247 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.484 3.739 -0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -17.995 1.284 -1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -19.733 1.260 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -17.353 3.790 -2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -20.816 1.374 -3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -17.655 4.769 -5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -21.112 2.349 -5.749 1.00 0.00 H new ATOM 0 HZ PHE A 81 -19.531 4.045 -6.575 1.00 0.00 H new ATOM 124 N GLY A 82 -18.036 1.668 1.334 1.00 0.00 N ATOM 125 CA GLY A 82 -18.073 1.234 2.708 1.00 0.00 C ATOM 126 C GLY A 82 -17.280 2.190 3.570 1.00 0.00 C ATOM 127 O GLY A 82 -16.052 2.255 3.457 1.00 0.00 O ATOM 0 H GLY A 82 -17.176 1.433 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -19.105 1.187 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.662 0.228 2.792 1.00 0.00 H new ATOM 131 N ASN A 83 -17.974 2.924 4.428 1.00 0.00 N ATOM 132 CA ASN A 83 -17.375 4.036 5.171 1.00 0.00 C ATOM 133 C ASN A 83 -16.411 3.563 6.261 1.00 0.00 C ATOM 134 O ASN A 83 -16.001 4.345 7.121 1.00 0.00 O ATOM 135 CB ASN A 83 -18.472 4.905 5.793 1.00 0.00 C ATOM 136 CG ASN A 83 -18.410 6.350 5.329 1.00 0.00 C ATOM 137 OD1 ASN A 83 -17.338 6.942 5.230 1.00 0.00 O ATOM 138 ND2 ASN A 83 -19.566 6.931 5.046 1.00 0.00 N ATOM 0 H ASN A 83 -18.962 2.771 4.632 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.796 4.621 4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -19.447 4.488 5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -18.383 4.872 6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -19.586 7.902 4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -20.436 6.408 5.140 1.00 0.00 H new ATOM 145 N SER A 84 -16.048 2.292 6.223 1.00 0.00 N ATOM 146 CA SER A 84 -15.111 1.733 7.178 1.00 0.00 C ATOM 147 C SER A 84 -13.669 2.033 6.766 1.00 0.00 C ATOM 148 O SER A 84 -12.818 2.303 7.614 1.00 0.00 O ATOM 149 CB SER A 84 -15.334 0.226 7.290 1.00 0.00 C ATOM 150 OG SER A 84 -16.486 -0.172 6.555 1.00 0.00 O ATOM 0 H SER A 84 -16.393 1.624 5.534 1.00 0.00 H new ATOM 0 HA SER A 84 -15.282 2.194 8.151 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.458 -0.304 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.452 -0.052 8.337 1.00 0.00 H new ATOM 0 HG SER A 84 -16.334 -1.058 6.163 1.00 0.00 H new ATOM 156 N GLY A 85 -13.408 2.000 5.462 1.00 0.00 N ATOM 157 CA GLY A 85 -12.065 2.226 4.965 1.00 0.00 C ATOM 158 C GLY A 85 -11.985 2.062 3.459 1.00 0.00 C ATOM 159 O GLY A 85 -12.941 1.599 2.834 1.00 0.00 O ATOM 0 H GLY A 85 -14.106 1.820 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.741 3.230 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.378 1.528 5.443 1.00 0.00 H new ATOM 163 N ALA A 86 -10.853 2.442 2.870 1.00 0.00 N ATOM 164 CA ALA A 86 -10.674 2.363 1.427 1.00 0.00 C ATOM 165 C ALA A 86 -9.198 2.437 1.060 1.00 0.00 C ATOM 166 O ALA A 86 -8.354 2.703 1.914 1.00 0.00 O ATOM 167 CB ALA A 86 -11.441 3.479 0.737 1.00 0.00 C ATOM 0 H ALA A 86 -10.045 2.808 3.374 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.066 1.404 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.297 3.407 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.502 3.388 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.074 4.444 1.088 1.00 0.00 H new ATOM 173 N CYS A 87 -8.901 2.197 -0.210 1.00 0.00 N ATOM 174 CA CYS A 87 -7.536 2.262 -0.713 1.00 0.00 C ATOM 175 C CYS A 87 -7.062 3.705 -0.813 1.00 0.00 C ATOM 176 O CYS A 87 -7.844 4.607 -1.117 1.00 0.00 O ATOM 177 CB CYS A 87 -7.455 1.601 -2.088 1.00 0.00 C ATOM 178 SG CYS A 87 -5.776 1.509 -2.804 1.00 0.00 S ATOM 0 H CYS A 87 -9.595 1.953 -0.917 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.890 1.731 -0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.857 0.591 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.098 2.150 -2.777 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.849 1.075 -4.027 1.00 0.00 H new ATOM 183 N SER A 88 -5.782 3.919 -0.567 1.00 0.00 N ATOM 184 CA SER A 88 -5.196 5.240 -0.716 1.00 0.00 C ATOM 185 C SER A 88 -4.799 5.490 -2.176 1.00 0.00 C ATOM 186 O SER A 88 -4.403 6.596 -2.545 1.00 0.00 O ATOM 187 CB SER A 88 -3.984 5.376 0.204 1.00 0.00 C ATOM 188 OG SER A 88 -3.954 4.326 1.162 1.00 0.00 O ATOM 0 H SER A 88 -5.129 3.197 -0.264 1.00 0.00 H new ATOM 0 HA SER A 88 -5.936 5.989 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.069 5.360 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.016 6.339 0.714 1.00 0.00 H new ATOM 0 HG SER A 88 -3.169 4.432 1.739 1.00 0.00 H new ATOM 194 N ALA A 89 -4.910 4.455 -3.004 1.00 0.00 N ATOM 195 CA ALA A 89 -4.573 4.571 -4.416 1.00 0.00 C ATOM 196 C ALA A 89 -5.812 4.425 -5.288 1.00 0.00 C ATOM 197 O ALA A 89 -6.060 5.249 -6.171 1.00 0.00 O ATOM 198 CB ALA A 89 -3.527 3.537 -4.803 1.00 0.00 C ATOM 0 H ALA A 89 -5.230 3.529 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.157 5.565 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.288 3.640 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.625 3.693 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.917 2.537 -4.614 1.00 0.00 H new ATOM 204 N CYS A 90 -6.592 3.376 -5.044 1.00 0.00 N ATOM 205 CA CYS A 90 -7.811 3.143 -5.809 1.00 0.00 C ATOM 206 C CYS A 90 -8.970 3.938 -5.225 1.00 0.00 C ATOM 207 O CYS A 90 -9.911 4.302 -5.932 1.00 0.00 O ATOM 208 CB CYS A 90 -8.174 1.654 -5.833 1.00 0.00 C ATOM 209 SG CYS A 90 -6.796 0.550 -6.286 1.00 0.00 S ATOM 0 H CYS A 90 -6.402 2.677 -4.326 1.00 0.00 H new ATOM 0 HA CYS A 90 -7.625 3.474 -6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.545 1.367 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.991 1.503 -6.538 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.784 -0.478 -5.491 1.00 0.00 H new ATOM 214 N GLY A 91 -8.899 4.194 -3.927 1.00 0.00 N ATOM 215 CA GLY A 91 -9.960 4.913 -3.247 1.00 0.00 C ATOM 216 C GLY A 91 -11.220 4.089 -3.138 1.00 0.00 C ATOM 217 O GLY A 91 -12.318 4.631 -3.050 1.00 0.00 O ATOM 0 H GLY A 91 -8.121 3.915 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.625 5.197 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.176 5.836 -3.785 1.00 0.00 H new ATOM 221 N GLN A 92 -11.061 2.778 -3.150 1.00 0.00 N ATOM 222 CA GLN A 92 -12.193 1.872 -3.082 1.00 0.00 C ATOM 223 C GLN A 92 -12.149 1.062 -1.799 1.00 0.00 C ATOM 224 O GLN A 92 -11.073 0.675 -1.342 1.00 0.00 O ATOM 225 CB GLN A 92 -12.185 0.931 -4.287 1.00 0.00 C ATOM 226 CG GLN A 92 -13.571 0.563 -4.789 1.00 0.00 C ATOM 227 CD GLN A 92 -14.182 1.645 -5.659 1.00 0.00 C ATOM 228 OE1 GLN A 92 -13.591 2.063 -6.653 1.00 0.00 O ATOM 229 NE2 GLN A 92 -15.372 2.102 -5.294 1.00 0.00 N ATOM 0 H GLN A 92 -10.154 2.315 -3.207 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.109 2.463 -3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.628 1.400 -5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.652 0.019 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.513 -0.365 -5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.224 0.375 -3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.829 1.728 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.831 2.827 -5.845 1.00 0.00 H new ATOM 238 N SER A 93 -13.319 0.828 -1.216 1.00 0.00 N ATOM 239 CA SER A 93 -13.427 0.006 -0.023 1.00 0.00 C ATOM 240 C SER A 93 -13.038 -1.436 -0.341 1.00 0.00 C ATOM 241 O SER A 93 -13.100 -1.867 -1.496 1.00 0.00 O ATOM 242 CB SER A 93 -14.848 0.069 0.532 1.00 0.00 C ATOM 243 OG SER A 93 -15.338 1.401 0.513 1.00 0.00 O ATOM 0 H SER A 93 -14.207 1.199 -1.554 1.00 0.00 H new ATOM 0 HA SER A 93 -12.743 0.389 0.734 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.502 -0.572 -0.058 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.862 -0.314 1.552 1.00 0.00 H new ATOM 0 HG SER A 93 -15.445 1.723 1.432 1.00 0.00 H new ATOM 249 N ILE A 94 -12.651 -2.178 0.681 1.00 0.00 N ATOM 250 CA ILE A 94 -12.096 -3.507 0.491 1.00 0.00 C ATOM 251 C ILE A 94 -13.018 -4.581 1.050 1.00 0.00 C ATOM 252 O ILE A 94 -13.302 -4.605 2.242 1.00 0.00 O ATOM 253 CB ILE A 94 -10.715 -3.613 1.168 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.755 -2.592 0.549 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.163 -5.027 1.046 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.490 -1.387 1.430 1.00 0.00 C ATOM 0 H ILE A 94 -12.711 -1.882 1.655 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.991 -3.668 -0.582 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.822 -3.391 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.808 -3.085 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.165 -2.252 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.188 -5.080 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.846 -5.727 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.060 -5.288 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.802 -0.710 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.428 -0.869 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.049 -1.715 2.372 1.00 0.00 H new ATOM 268 N PRO A 95 -13.531 -5.459 0.183 1.00 0.00 N ATOM 269 CA PRO A 95 -14.289 -6.637 0.600 1.00 0.00 C ATOM 270 C PRO A 95 -13.365 -7.722 1.150 1.00 0.00 C ATOM 271 O PRO A 95 -12.155 -7.671 0.946 1.00 0.00 O ATOM 272 CB PRO A 95 -14.967 -7.119 -0.694 1.00 0.00 C ATOM 273 CG PRO A 95 -14.692 -6.063 -1.719 1.00 0.00 C ATOM 274 CD PRO A 95 -13.441 -5.367 -1.277 1.00 0.00 C ATOM 0 HA PRO A 95 -14.998 -6.411 1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.567 -8.083 -1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.039 -7.251 -0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.564 -6.504 -2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.524 -5.362 -1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.546 -5.857 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.409 -4.332 -1.618 1.00 0.00 H new ATOM 282 N ALA A 96 -13.937 -8.714 1.821 1.00 0.00 N ATOM 283 CA ALA A 96 -13.142 -9.790 2.403 1.00 0.00 C ATOM 284 C ALA A 96 -12.617 -10.715 1.313 1.00 0.00 C ATOM 285 O ALA A 96 -11.700 -11.507 1.532 1.00 0.00 O ATOM 286 CB ALA A 96 -13.965 -10.570 3.412 1.00 0.00 C ATOM 0 H ALA A 96 -14.942 -8.797 1.976 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.289 -9.349 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.358 -11.369 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -14.294 -9.902 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -14.835 -11.000 2.917 1.00 0.00 H new ATOM 292 N SER A 97 -13.223 -10.611 0.137 1.00 0.00 N ATOM 293 CA SER A 97 -12.808 -11.386 -1.018 1.00 0.00 C ATOM 294 C SER A 97 -11.558 -10.788 -1.661 1.00 0.00 C ATOM 295 O SER A 97 -10.898 -11.433 -2.477 1.00 0.00 O ATOM 296 CB SER A 97 -13.951 -11.431 -2.028 1.00 0.00 C ATOM 297 OG SER A 97 -15.059 -10.667 -1.564 1.00 0.00 O ATOM 0 H SER A 97 -14.012 -9.989 -0.039 1.00 0.00 H new ATOM 0 HA SER A 97 -12.563 -12.398 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.611 -11.043 -2.988 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.258 -12.464 -2.193 1.00 0.00 H new ATOM 0 HG SER A 97 -15.782 -10.705 -2.224 1.00 0.00 H new ATOM 303 N GLU A 98 -11.240 -9.555 -1.294 1.00 0.00 N ATOM 304 CA GLU A 98 -10.054 -8.893 -1.805 1.00 0.00 C ATOM 305 C GLU A 98 -9.025 -8.761 -0.696 1.00 0.00 C ATOM 306 O GLU A 98 -9.363 -8.829 0.488 1.00 0.00 O ATOM 307 CB GLU A 98 -10.398 -7.515 -2.379 1.00 0.00 C ATOM 308 CG GLU A 98 -10.154 -7.394 -3.879 1.00 0.00 C ATOM 309 CD GLU A 98 -8.680 -7.437 -4.254 1.00 0.00 C ATOM 310 OE1 GLU A 98 -7.982 -8.387 -3.843 1.00 0.00 O ATOM 311 OE2 GLU A 98 -8.217 -6.523 -4.976 1.00 0.00 O ATOM 0 H GLU A 98 -11.789 -8.994 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.639 -9.497 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.446 -7.297 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.807 -6.759 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.676 -8.202 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.586 -6.459 -4.236 1.00 0.00 H new ATOM 318 N LEU A 99 -7.776 -8.574 -1.078 1.00 0.00 N ATOM 319 CA LEU A 99 -6.696 -8.511 -0.113 1.00 0.00 C ATOM 320 C LEU A 99 -5.966 -7.183 -0.202 1.00 0.00 C ATOM 321 O LEU A 99 -5.842 -6.585 -1.276 1.00 0.00 O ATOM 322 CB LEU A 99 -5.726 -9.670 -0.327 1.00 0.00 C ATOM 323 CG LEU A 99 -6.366 -11.058 -0.262 1.00 0.00 C ATOM 324 CD1 LEU A 99 -5.930 -11.899 -1.450 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.015 -11.749 1.050 1.00 0.00 C ATOM 0 H LEU A 99 -7.485 -8.463 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.125 -8.594 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.247 -9.551 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.939 -9.612 0.425 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.449 -10.943 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.394 -12.883 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.237 -11.410 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.845 -12.008 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.479 -12.735 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.933 -11.855 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.381 -11.152 1.885 1.00 0.00 H new ATOM 337 N VAL A 100 -5.492 -6.724 0.940 1.00 0.00 N ATOM 338 CA VAL A 100 -4.804 -5.451 1.032 1.00 0.00 C ATOM 339 C VAL A 100 -3.385 -5.636 1.539 1.00 0.00 C ATOM 340 O VAL A 100 -2.959 -6.748 1.837 1.00 0.00 O ATOM 341 CB VAL A 100 -5.527 -4.479 1.987 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.827 -3.989 1.383 1.00 0.00 C ATOM 343 CG2 VAL A 100 -5.776 -5.133 3.338 1.00 0.00 C ATOM 0 H VAL A 100 -5.572 -7.221 1.827 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.794 -5.033 0.026 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.879 -3.616 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.316 -3.306 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.620 -3.470 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.481 -4.839 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.287 -4.429 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.396 -6.020 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.824 -5.420 3.784 1.00 0.00 H new ATOM 353 N MET A 101 -2.667 -4.537 1.645 1.00 0.00 N ATOM 354 CA MET A 101 -1.341 -4.537 2.231 1.00 0.00 C ATOM 355 C MET A 101 -1.230 -3.371 3.204 1.00 0.00 C ATOM 356 O MET A 101 -1.454 -2.218 2.826 1.00 0.00 O ATOM 357 CB MET A 101 -0.268 -4.435 1.148 1.00 0.00 C ATOM 358 CG MET A 101 -0.228 -5.633 0.209 1.00 0.00 C ATOM 359 SD MET A 101 0.948 -6.888 0.741 1.00 0.00 S ATOM 360 CE MET A 101 2.010 -6.992 -0.697 1.00 0.00 C ATOM 0 H MET A 101 -2.984 -3.621 1.329 1.00 0.00 H new ATOM 0 HA MET A 101 -1.184 -5.474 2.765 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.440 -3.532 0.563 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.706 -4.325 1.624 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.222 -6.075 0.147 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.034 -5.296 -0.794 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.055 -8.025 -1.042 1.00 0.00 H new ATOM 0 HE2 MET A 101 1.610 -6.362 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 101 3.012 -6.653 -0.435 1.00 0.00 H new ATOM 370 N ARG A 102 -0.916 -3.668 4.459 1.00 0.00 N ATOM 371 CA ARG A 102 -0.868 -2.643 5.496 1.00 0.00 C ATOM 372 C ARG A 102 0.456 -1.885 5.454 1.00 0.00 C ATOM 373 O ARG A 102 1.495 -2.399 5.867 1.00 0.00 O ATOM 374 CB ARG A 102 -1.067 -3.278 6.876 1.00 0.00 C ATOM 375 CG ARG A 102 -2.250 -2.710 7.644 1.00 0.00 C ATOM 376 CD ARG A 102 -2.845 -3.733 8.602 1.00 0.00 C ATOM 377 NE ARG A 102 -4.056 -3.224 9.246 1.00 0.00 N ATOM 378 CZ ARG A 102 -5.162 -3.942 9.454 1.00 0.00 C ATOM 379 NH1 ARG A 102 -5.198 -5.237 9.160 1.00 0.00 N ATOM 380 NH2 ARG A 102 -6.229 -3.373 9.995 1.00 0.00 N ATOM 0 H ARG A 102 -0.691 -4.608 4.784 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.674 -1.933 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.205 -4.352 6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.161 -3.137 7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.932 -1.830 8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.016 -2.381 6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.078 -4.649 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.109 -3.992 9.363 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.055 -2.253 9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.374 -5.695 8.770 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.050 -5.774 9.324 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.205 -2.386 10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.074 -3.922 10.154 1.00 0.00 H new ATOM 394 N ALA A 103 0.410 -0.660 4.953 1.00 0.00 N ATOM 395 CA ALA A 103 1.593 0.182 4.863 1.00 0.00 C ATOM 396 C ALA A 103 1.787 0.986 6.146 1.00 0.00 C ATOM 397 O ALA A 103 1.655 2.212 6.149 1.00 0.00 O ATOM 398 CB ALA A 103 1.489 1.109 3.660 1.00 0.00 C ATOM 0 H ALA A 103 -0.442 -0.224 4.600 1.00 0.00 H new ATOM 0 HA ALA A 103 2.464 -0.461 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.380 1.734 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.404 0.516 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.608 1.742 3.764 1.00 0.00 H new ATOM 404 N GLN A 104 2.084 0.273 7.234 1.00 0.00 N ATOM 405 CA GLN A 104 2.342 0.887 8.538 1.00 0.00 C ATOM 406 C GLN A 104 1.173 1.772 8.979 1.00 0.00 C ATOM 407 O GLN A 104 1.366 2.910 9.411 1.00 0.00 O ATOM 408 CB GLN A 104 3.641 1.706 8.506 1.00 0.00 C ATOM 409 CG GLN A 104 4.884 0.876 8.224 1.00 0.00 C ATOM 410 CD GLN A 104 5.963 1.066 9.273 1.00 0.00 C ATOM 411 OE1 GLN A 104 5.743 0.825 10.458 1.00 0.00 O ATOM 412 NE2 GLN A 104 7.141 1.494 8.841 1.00 0.00 N ATOM 0 H GLN A 104 2.152 -0.745 7.236 1.00 0.00 H new ATOM 0 HA GLN A 104 2.451 0.081 9.264 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.552 2.481 7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 104 3.764 2.213 9.463 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.610 -0.178 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.282 1.146 7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.282 1.683 7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.906 1.635 9.501 1.00 0.00 H new ATOM 421 N GLY A 105 -0.039 1.247 8.866 1.00 0.00 N ATOM 422 CA GLY A 105 -1.207 1.996 9.281 1.00 0.00 C ATOM 423 C GLY A 105 -2.293 2.003 8.226 1.00 0.00 C ATOM 424 O GLY A 105 -3.403 1.533 8.466 1.00 0.00 O ATOM 0 H GLY A 105 -0.234 0.317 8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.602 1.567 10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.916 3.022 9.506 1.00 0.00 H new ATOM 428 N ASN A 106 -1.970 2.521 7.050 1.00 0.00 N ATOM 429 CA ASN A 106 -2.945 2.622 5.969 1.00 0.00 C ATOM 430 C ASN A 106 -2.921 1.367 5.109 1.00 0.00 C ATOM 431 O ASN A 106 -2.024 0.532 5.248 1.00 0.00 O ATOM 432 CB ASN A 106 -2.676 3.857 5.106 1.00 0.00 C ATOM 433 CG ASN A 106 -3.954 4.567 4.702 1.00 0.00 C ATOM 434 OD1 ASN A 106 -5.030 3.967 4.673 1.00 0.00 O ATOM 435 ND2 ASN A 106 -3.845 5.850 4.387 1.00 0.00 N ATOM 0 H ASN A 106 -1.043 2.878 6.818 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.934 2.722 6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.037 4.549 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.130 3.560 4.211 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.671 6.378 4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.935 6.309 4.424 1.00 0.00 H new ATOM 442 N VAL A 107 -3.889 1.240 4.214 1.00 0.00 N ATOM 443 CA VAL A 107 -4.029 0.028 3.422 1.00 0.00 C ATOM 444 C VAL A 107 -4.096 0.315 1.928 1.00 0.00 C ATOM 445 O VAL A 107 -4.796 1.225 1.477 1.00 0.00 O ATOM 446 CB VAL A 107 -5.282 -0.779 3.827 1.00 0.00 C ATOM 447 CG1 VAL A 107 -4.985 -1.659 5.031 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.462 0.146 4.105 1.00 0.00 C ATOM 0 H VAL A 107 -4.586 1.958 4.019 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.135 -0.560 3.627 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.555 -1.424 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.880 -2.220 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.182 -2.354 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.680 -1.035 5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.331 -0.448 4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.207 0.826 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.692 0.722 3.208 1.00 0.00 H new ATOM 458 N TYR A 108 -3.334 -0.461 1.176 1.00 0.00 N ATOM 459 CA TYR A 108 -3.432 -0.489 -0.275 1.00 0.00 C ATOM 460 C TYR A 108 -3.870 -1.887 -0.674 1.00 0.00 C ATOM 461 O TYR A 108 -4.044 -2.731 0.193 1.00 0.00 O ATOM 462 CB TYR A 108 -2.083 -0.154 -0.929 1.00 0.00 C ATOM 463 CG TYR A 108 -1.529 1.203 -0.558 1.00 0.00 C ATOM 464 CD1 TYR A 108 -0.910 1.414 0.670 1.00 0.00 C ATOM 465 CD2 TYR A 108 -1.619 2.270 -1.441 1.00 0.00 C ATOM 466 CE1 TYR A 108 -0.399 2.653 1.004 1.00 0.00 C ATOM 467 CE2 TYR A 108 -1.108 3.512 -1.115 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.498 3.698 0.109 1.00 0.00 C ATOM 469 OH TYR A 108 0.014 4.933 0.438 1.00 0.00 O ATOM 0 H TYR A 108 -2.628 -1.092 1.555 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.150 0.258 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.358 -0.918 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -2.196 -0.203 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.828 0.597 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.096 2.127 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.076 2.803 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.186 4.332 -1.814 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.137 5.557 -0.302 1.00 0.00 H new ATOM 479 N HIS A 109 -4.046 -2.152 -1.956 1.00 0.00 N ATOM 480 CA HIS A 109 -4.382 -3.501 -2.397 1.00 0.00 C ATOM 481 C HIS A 109 -3.096 -4.226 -2.795 1.00 0.00 C ATOM 482 O HIS A 109 -1.995 -3.781 -2.462 1.00 0.00 O ATOM 483 CB HIS A 109 -5.371 -3.483 -3.579 1.00 0.00 C ATOM 484 CG HIS A 109 -6.725 -2.910 -3.266 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.053 -1.598 -3.544 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.816 -3.524 -2.738 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.308 -1.441 -3.179 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.820 -2.584 -2.686 1.00 0.00 N ATOM 0 H HIS A 109 -3.964 -1.464 -2.704 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.869 -4.025 -1.575 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.930 -2.909 -4.394 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.500 -4.503 -3.941 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.883 -4.554 -2.420 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.856 -0.514 -3.264 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.769 -2.726 -2.340 1.00 0.00 H new ATOM 496 N LEU A 110 -3.229 -5.331 -3.513 1.00 0.00 N ATOM 497 CA LEU A 110 -2.066 -6.091 -3.962 1.00 0.00 C ATOM 498 C LEU A 110 -1.427 -5.437 -5.188 1.00 0.00 C ATOM 499 O LEU A 110 -0.245 -5.635 -5.467 1.00 0.00 O ATOM 500 CB LEU A 110 -2.475 -7.533 -4.283 1.00 0.00 C ATOM 501 CG LEU A 110 -1.333 -8.554 -4.272 1.00 0.00 C ATOM 502 CD1 LEU A 110 -0.850 -8.797 -2.851 1.00 0.00 C ATOM 503 CD2 LEU A 110 -1.778 -9.858 -4.919 1.00 0.00 C ATOM 0 H LEU A 110 -4.127 -5.723 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.329 -6.099 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.230 -7.848 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.946 -7.550 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.503 -8.150 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.039 -9.525 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.492 -7.861 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.673 -9.180 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.954 -10.572 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.624 -10.268 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.074 -9.670 -5.951 1.00 0.00 H new ATOM 515 N LYS A 111 -2.210 -4.650 -5.915 1.00 0.00 N ATOM 516 CA LYS A 111 -1.731 -4.026 -7.148 1.00 0.00 C ATOM 517 C LYS A 111 -1.112 -2.655 -6.874 1.00 0.00 C ATOM 518 O LYS A 111 -0.107 -2.276 -7.476 1.00 0.00 O ATOM 519 CB LYS A 111 -2.875 -3.898 -8.166 1.00 0.00 C ATOM 520 CG LYS A 111 -4.232 -3.604 -7.540 1.00 0.00 C ATOM 521 CD LYS A 111 -5.278 -4.642 -7.944 1.00 0.00 C ATOM 522 CE LYS A 111 -5.555 -5.620 -6.811 1.00 0.00 C ATOM 523 NZ LYS A 111 -6.687 -6.541 -7.111 1.00 0.00 N ATOM 0 H LYS A 111 -3.176 -4.427 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.956 -4.669 -7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.632 -3.104 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.943 -4.823 -8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.136 -3.588 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.566 -2.613 -7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -6.203 -4.138 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.931 -5.188 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.657 -6.206 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.777 -5.062 -5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.487 -6.323 -6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.980 -6.420 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.385 -7.524 -6.958 1.00 0.00 H new ATOM 537 N CYS A 112 -1.720 -1.927 -5.957 1.00 0.00 N ATOM 538 CA CYS A 112 -1.325 -0.561 -5.638 1.00 0.00 C ATOM 539 C CYS A 112 -0.053 -0.532 -4.789 1.00 0.00 C ATOM 540 O CYS A 112 0.617 0.498 -4.701 1.00 0.00 O ATOM 541 CB CYS A 112 -2.504 0.066 -4.912 1.00 0.00 C ATOM 542 SG CYS A 112 -3.813 -1.171 -4.679 1.00 0.00 S ATOM 0 H CYS A 112 -2.509 -2.266 -5.406 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.086 0.000 -6.541 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.183 0.455 -3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.887 0.911 -5.484 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.903 -0.763 -5.257 1.00 0.00 H new ATOM 547 N PHE A 113 0.276 -1.669 -4.181 1.00 0.00 N ATOM 548 CA PHE A 113 1.497 -1.801 -3.396 1.00 0.00 C ATOM 549 C PHE A 113 2.717 -1.833 -4.314 1.00 0.00 C ATOM 550 O PHE A 113 3.298 -2.888 -4.580 1.00 0.00 O ATOM 551 CB PHE A 113 1.449 -3.062 -2.530 1.00 0.00 C ATOM 552 CG PHE A 113 1.918 -2.828 -1.120 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.484 -1.717 -0.413 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.790 -3.715 -0.500 1.00 0.00 C ATOM 555 CE1 PHE A 113 1.908 -1.494 0.885 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.214 -3.494 0.795 1.00 0.00 C ATOM 557 CZ PHE A 113 2.774 -2.382 1.486 1.00 0.00 C ATOM 0 H PHE A 113 -0.291 -2.516 -4.218 1.00 0.00 H new ATOM 0 HA PHE A 113 1.577 -0.936 -2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.428 -3.442 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.067 -3.834 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.807 -1.018 -0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.139 -4.585 -1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.561 -0.626 1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.890 -4.191 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.109 -2.208 2.498 1.00 0.00 H new ATOM 567 N THR A 114 3.092 -0.663 -4.801 1.00 0.00 N ATOM 568 CA THR A 114 4.194 -0.520 -5.735 1.00 0.00 C ATOM 569 C THR A 114 4.910 0.798 -5.463 1.00 0.00 C ATOM 570 O THR A 114 4.363 1.658 -4.770 1.00 0.00 O ATOM 571 CB THR A 114 3.672 -0.524 -7.187 1.00 0.00 C ATOM 572 OG1 THR A 114 2.367 0.067 -7.226 1.00 0.00 O ATOM 573 CG2 THR A 114 3.587 -1.933 -7.746 1.00 0.00 C ATOM 0 H THR A 114 2.639 0.218 -4.558 1.00 0.00 H new ATOM 0 HA THR A 114 4.881 -1.356 -5.605 1.00 0.00 H new ATOM 0 HB THR A 114 4.373 0.048 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.907 -0.210 -8.046 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.216 -1.896 -8.770 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.577 -2.389 -7.735 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.907 -2.527 -7.135 1.00 0.00 H new ATOM 581 N CYS A 115 6.123 0.966 -5.983 1.00 0.00 N ATOM 582 CA CYS A 115 6.816 2.233 -5.829 1.00 0.00 C ATOM 583 C CYS A 115 6.256 3.252 -6.813 1.00 0.00 C ATOM 584 O CYS A 115 5.740 2.893 -7.872 1.00 0.00 O ATOM 585 CB CYS A 115 8.332 2.080 -6.017 1.00 0.00 C ATOM 586 SG CYS A 115 8.862 1.310 -7.583 1.00 0.00 S ATOM 0 H CYS A 115 6.635 0.254 -6.504 1.00 0.00 H new ATOM 0 HA CYS A 115 6.650 2.586 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.790 3.067 -5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.724 1.486 -5.191 1.00 0.00 H new ATOM 0 HG CYS A 115 10.023 0.749 -7.419 1.00 0.00 H new ATOM 591 N SER A 116 6.345 4.521 -6.457 1.00 0.00 N ATOM 592 CA SER A 116 5.827 5.582 -7.308 1.00 0.00 C ATOM 593 C SER A 116 6.920 6.119 -8.227 1.00 0.00 C ATOM 594 O SER A 116 6.721 7.090 -8.955 1.00 0.00 O ATOM 595 CB SER A 116 5.250 6.699 -6.439 1.00 0.00 C ATOM 596 OG SER A 116 4.733 6.169 -5.227 1.00 0.00 O ATOM 0 H SER A 116 6.769 4.843 -5.587 1.00 0.00 H new ATOM 0 HA SER A 116 5.034 5.178 -7.937 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.024 7.434 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.460 7.219 -6.982 1.00 0.00 H new ATOM 0 HG SER A 116 4.369 6.897 -4.681 1.00 0.00 H new ATOM 602 N THR A 117 8.079 5.478 -8.186 1.00 0.00 N ATOM 603 CA THR A 117 9.210 5.900 -8.991 1.00 0.00 C ATOM 604 C THR A 117 9.393 5.012 -10.224 1.00 0.00 C ATOM 605 O THR A 117 9.487 5.513 -11.345 1.00 0.00 O ATOM 606 CB THR A 117 10.490 5.899 -8.144 1.00 0.00 C ATOM 607 OG1 THR A 117 10.137 5.800 -6.758 1.00 0.00 O ATOM 608 CG2 THR A 117 11.305 7.164 -8.375 1.00 0.00 C ATOM 0 H THR A 117 8.259 4.662 -7.601 1.00 0.00 H new ATOM 0 HA THR A 117 9.008 6.912 -9.341 1.00 0.00 H new ATOM 0 HB THR A 117 11.100 5.045 -8.439 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.950 5.817 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.205 7.134 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 117 11.585 7.230 -9.426 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.709 8.035 -8.103 1.00 0.00 H new ATOM 616 N CYS A 118 9.422 3.699 -10.025 1.00 0.00 N ATOM 617 CA CYS A 118 9.553 2.769 -11.143 1.00 0.00 C ATOM 618 C CYS A 118 8.291 1.939 -11.314 1.00 0.00 C ATOM 619 O CYS A 118 8.116 1.259 -12.331 1.00 0.00 O ATOM 620 CB CYS A 118 10.749 1.845 -10.934 1.00 0.00 C ATOM 621 SG CYS A 118 11.904 2.390 -9.638 1.00 0.00 S ATOM 0 H CYS A 118 9.357 3.256 -9.108 1.00 0.00 H new ATOM 0 HA CYS A 118 9.709 3.358 -12.047 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.384 0.849 -10.682 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.293 1.757 -11.874 1.00 0.00 H new ATOM 0 HG CYS A 118 12.132 1.407 -8.819 1.00 0.00 H new ATOM 626 N ARG A 119 7.430 1.989 -10.305 1.00 0.00 N ATOM 627 CA ARG A 119 6.197 1.216 -10.283 1.00 0.00 C ATOM 628 C ARG A 119 6.507 -0.278 -10.224 1.00 0.00 C ATOM 629 O ARG A 119 5.847 -1.088 -10.877 1.00 0.00 O ATOM 630 CB ARG A 119 5.306 1.538 -11.494 1.00 0.00 C ATOM 631 CG ARG A 119 4.143 2.458 -11.165 1.00 0.00 C ATOM 632 CD ARG A 119 3.003 1.709 -10.495 1.00 0.00 C ATOM 633 NE ARG A 119 2.457 2.455 -9.366 1.00 0.00 N ATOM 634 CZ ARG A 119 1.203 2.335 -8.924 1.00 0.00 C ATOM 635 NH1 ARG A 119 0.336 1.555 -9.563 1.00 0.00 N ATOM 636 NH2 ARG A 119 0.805 3.022 -7.857 1.00 0.00 N ATOM 0 H ARG A 119 7.569 2.569 -9.477 1.00 0.00 H new ATOM 0 HA ARG A 119 5.644 1.495 -9.386 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.916 2.000 -12.271 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.917 0.607 -11.906 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.487 3.258 -10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.781 2.928 -12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.214 1.521 -11.223 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.358 0.737 -10.152 1.00 0.00 H new ATOM 0 HE ARG A 119 3.073 3.110 -8.884 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.628 1.044 -10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.621 1.468 -9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 119 1.458 3.641 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.153 2.930 -7.520 1.00 0.00 H new ATOM 650 N ASN A 120 7.525 -0.638 -9.447 1.00 0.00 N ATOM 651 CA ASN A 120 7.868 -2.037 -9.258 1.00 0.00 C ATOM 652 C ASN A 120 7.042 -2.612 -8.124 1.00 0.00 C ATOM 653 O ASN A 120 6.902 -1.991 -7.070 1.00 0.00 O ATOM 654 CB ASN A 120 9.363 -2.219 -8.975 1.00 0.00 C ATOM 655 CG ASN A 120 9.815 -3.655 -9.207 1.00 0.00 C ATOM 656 OD1 ASN A 120 9.366 -4.249 -10.304 1.00 0.00 O flip ATOM 657 ND2 ASN A 120 10.558 -4.226 -8.410 1.00 0.00 N flip ATOM 0 H ASN A 120 8.121 0.018 -8.943 1.00 0.00 H new ATOM 0 HA ASN A 120 7.644 -2.572 -10.181 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.938 -1.550 -9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.575 -1.934 -7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 120 10.884 -3.737 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 120 10.848 -5.188 -8.583 1.00 0.00 H new ATOM 664 N ARG A 121 6.468 -3.781 -8.355 1.00 0.00 N ATOM 665 CA ARG A 121 5.634 -4.426 -7.356 1.00 0.00 C ATOM 666 C ARG A 121 6.485 -4.921 -6.197 1.00 0.00 C ATOM 667 O ARG A 121 7.269 -5.864 -6.351 1.00 0.00 O ATOM 668 CB ARG A 121 4.854 -5.589 -7.975 1.00 0.00 C ATOM 669 CG ARG A 121 3.472 -5.782 -7.368 1.00 0.00 C ATOM 670 CD ARG A 121 2.406 -5.919 -8.442 1.00 0.00 C ATOM 671 NE ARG A 121 1.666 -4.675 -8.647 1.00 0.00 N ATOM 672 CZ ARG A 121 1.080 -4.340 -9.801 1.00 0.00 C ATOM 673 NH1 ARG A 121 1.151 -5.148 -10.850 1.00 0.00 N ATOM 674 NH2 ARG A 121 0.417 -3.196 -9.896 1.00 0.00 N ATOM 0 H ARG A 121 6.565 -4.303 -9.226 1.00 0.00 H new ATOM 0 HA ARG A 121 4.920 -3.693 -6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.751 -5.418 -9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.428 -6.508 -7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.471 -6.671 -6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.235 -4.935 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.874 -6.220 -9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.711 -6.711 -8.163 1.00 0.00 H new ATOM 0 HE ARG A 121 1.593 -4.025 -7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.655 -6.032 -10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.701 -4.886 -11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.355 -2.574 -9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.031 -2.938 -10.775 1.00 0.00 H new ATOM 688 N LEU A 122 6.340 -4.266 -5.053 1.00 0.00 N ATOM 689 CA LEU A 122 7.059 -4.651 -3.847 1.00 0.00 C ATOM 690 C LEU A 122 6.617 -6.041 -3.417 1.00 0.00 C ATOM 691 O LEU A 122 5.474 -6.436 -3.663 1.00 0.00 O ATOM 692 CB LEU A 122 6.817 -3.622 -2.736 1.00 0.00 C ATOM 693 CG LEU A 122 6.925 -2.161 -3.188 1.00 0.00 C ATOM 694 CD1 LEU A 122 6.693 -1.216 -2.027 1.00 0.00 C ATOM 695 CD2 LEU A 122 8.281 -1.890 -3.818 1.00 0.00 C ATOM 0 H LEU A 122 5.726 -3.460 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 122 8.130 -4.675 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.825 -3.787 -2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.536 -3.795 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 122 6.151 -1.987 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.775 -0.186 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 122 5.697 -1.382 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 122 7.440 -1.399 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.335 -0.847 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.067 -2.091 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.415 -2.537 -4.685 1.00 0.00 H new ATOM 707 N VAL A 123 7.506 -6.786 -2.784 1.00 0.00 N ATOM 708 CA VAL A 123 7.262 -8.199 -2.578 1.00 0.00 C ATOM 709 C VAL A 123 7.004 -8.498 -1.110 1.00 0.00 C ATOM 710 O VAL A 123 7.759 -8.066 -0.241 1.00 0.00 O ATOM 711 CB VAL A 123 8.453 -9.049 -3.078 1.00 0.00 C ATOM 712 CG1 VAL A 123 8.121 -10.531 -3.044 1.00 0.00 C ATOM 713 CG2 VAL A 123 8.864 -8.629 -4.480 1.00 0.00 C ATOM 0 H VAL A 123 8.390 -6.441 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 123 6.375 -8.463 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 123 9.292 -8.874 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.977 -11.104 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.886 -10.828 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.261 -10.726 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.703 -9.240 -4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.024 -8.765 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.159 -7.580 -4.474 1.00 0.00 H new ATOM 723 N PRO A 124 5.922 -9.241 -0.823 1.00 0.00 N ATOM 724 CA PRO A 124 5.612 -9.701 0.530 1.00 0.00 C ATOM 725 C PRO A 124 6.744 -10.554 1.091 1.00 0.00 C ATOM 726 O PRO A 124 7.001 -11.659 0.610 1.00 0.00 O ATOM 727 CB PRO A 124 4.332 -10.537 0.349 1.00 0.00 C ATOM 728 CG PRO A 124 4.258 -10.835 -1.107 1.00 0.00 C ATOM 729 CD PRO A 124 4.911 -9.677 -1.794 1.00 0.00 C ATOM 0 HA PRO A 124 5.484 -8.879 1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.375 -11.454 0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.452 -9.986 0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.770 -11.768 -1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.223 -10.949 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.363 -9.973 -2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.196 -8.884 -2.015 1.00 0.00 H new ATOM 737 N GLY A 125 7.428 -10.024 2.093 1.00 0.00 N ATOM 738 CA GLY A 125 8.559 -10.719 2.668 1.00 0.00 C ATOM 739 C GLY A 125 9.869 -10.316 2.021 1.00 0.00 C ATOM 740 O GLY A 125 10.894 -10.978 2.206 1.00 0.00 O ATOM 0 H GLY A 125 7.219 -9.121 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 125 8.605 -10.512 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 125 8.417 -11.794 2.557 1.00 0.00 H new ATOM 744 N ASP A 126 9.841 -9.227 1.262 1.00 0.00 N ATOM 745 CA ASP A 126 11.041 -8.724 0.608 1.00 0.00 C ATOM 746 C ASP A 126 11.179 -7.218 0.815 1.00 0.00 C ATOM 747 O ASP A 126 10.408 -6.614 1.565 1.00 0.00 O ATOM 748 CB ASP A 126 11.025 -9.056 -0.884 1.00 0.00 C ATOM 749 CG ASP A 126 12.406 -9.392 -1.405 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.259 -8.483 -1.464 1.00 0.00 O ATOM 751 OD2 ASP A 126 12.647 -10.567 -1.748 1.00 0.00 O ATOM 0 H ASP A 126 9.001 -8.676 1.085 1.00 0.00 H new ATOM 0 HA ASP A 126 11.902 -9.215 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.356 -9.898 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.624 -8.208 -1.440 1.00 0.00 H new ATOM 756 N ARG A 127 12.159 -6.623 0.141 1.00 0.00 N ATOM 757 CA ARG A 127 12.490 -5.213 0.320 1.00 0.00 C ATOM 758 C ARG A 127 11.347 -4.295 -0.088 1.00 0.00 C ATOM 759 O ARG A 127 10.708 -4.496 -1.122 1.00 0.00 O ATOM 760 CB ARG A 127 13.731 -4.837 -0.494 1.00 0.00 C ATOM 761 CG ARG A 127 14.961 -5.662 -0.167 1.00 0.00 C ATOM 762 CD ARG A 127 15.733 -6.024 -1.427 1.00 0.00 C ATOM 763 NE ARG A 127 15.638 -7.446 -1.733 1.00 0.00 N ATOM 764 CZ ARG A 127 16.661 -8.189 -2.144 1.00 0.00 C ATOM 765 NH1 ARG A 127 17.828 -7.627 -2.434 1.00 0.00 N ATOM 766 NH2 ARG A 127 16.503 -9.492 -2.310 1.00 0.00 N ATOM 0 H ARG A 127 12.744 -7.103 -0.543 1.00 0.00 H new ATOM 0 HA ARG A 127 12.683 -5.078 1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.504 -4.948 -1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.958 -3.784 -0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.607 -5.103 0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.664 -6.572 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.349 -5.445 -2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.780 -5.749 -1.303 1.00 0.00 H new ATOM 0 HE ARG A 127 14.731 -7.899 -1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.945 -6.618 -2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.608 -8.204 -2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 127 15.598 -9.924 -2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 127 17.286 -10.065 -2.625 1.00 0.00 H new ATOM 780 N PHE A 128 11.106 -3.291 0.736 1.00 0.00 N ATOM 781 CA PHE A 128 10.156 -2.235 0.427 1.00 0.00 C ATOM 782 C PHE A 128 10.511 -0.998 1.245 1.00 0.00 C ATOM 783 O PHE A 128 11.002 -1.113 2.367 1.00 0.00 O ATOM 784 CB PHE A 128 8.714 -2.721 0.689 1.00 0.00 C ATOM 785 CG PHE A 128 7.949 -1.979 1.755 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.115 -2.291 3.095 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.044 -0.984 1.411 1.00 0.00 C ATOM 788 CE1 PHE A 128 7.396 -1.628 4.071 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.324 -0.316 2.381 1.00 0.00 C ATOM 790 CZ PHE A 128 6.500 -0.639 3.713 1.00 0.00 C ATOM 0 H PHE A 128 11.564 -3.184 1.641 1.00 0.00 H new ATOM 0 HA PHE A 128 10.211 -1.971 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.154 -2.655 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.752 -3.775 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 128 8.815 -3.062 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.901 -0.729 0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.534 -1.882 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.625 0.457 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 128 5.937 -0.119 4.474 1.00 0.00 H new ATOM 800 N HIS A 129 10.312 0.177 0.680 1.00 0.00 N ATOM 801 CA HIS A 129 10.658 1.403 1.378 1.00 0.00 C ATOM 802 C HIS A 129 9.423 2.266 1.597 1.00 0.00 C ATOM 803 O HIS A 129 8.691 2.558 0.655 1.00 0.00 O ATOM 804 CB HIS A 129 11.721 2.181 0.601 1.00 0.00 C ATOM 805 CG HIS A 129 13.108 1.627 0.759 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.949 2.076 1.746 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.741 0.659 0.048 1.00 0.00 C ATOM 808 CE1 HIS A 129 15.064 1.383 1.620 1.00 0.00 C ATOM 809 NE2 HIS A 129 14.987 0.511 0.604 1.00 0.00 N ATOM 0 H HIS A 129 9.917 0.310 -0.251 1.00 0.00 H new ATOM 0 HA HIS A 129 11.067 1.136 2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.458 2.182 -0.457 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.714 3.219 0.932 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.341 0.111 -0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.930 1.503 2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.714 -0.137 0.303 1.00 0.00 H new ATOM 817 N TYR A 130 9.182 2.644 2.843 1.00 0.00 N ATOM 818 CA TYR A 130 8.062 3.497 3.191 1.00 0.00 C ATOM 819 C TYR A 130 8.578 4.710 3.955 1.00 0.00 C ATOM 820 O TYR A 130 8.874 4.626 5.147 1.00 0.00 O ATOM 821 CB TYR A 130 7.063 2.701 4.042 1.00 0.00 C ATOM 822 CG TYR A 130 5.810 3.452 4.436 1.00 0.00 C ATOM 823 CD1 TYR A 130 4.817 3.732 3.506 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.614 3.863 5.752 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.666 4.405 3.876 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.467 4.533 6.126 1.00 0.00 C ATOM 827 CZ TYR A 130 3.496 4.800 5.186 1.00 0.00 C ATOM 828 OH TYR A 130 2.354 5.464 5.559 1.00 0.00 O ATOM 0 H TYR A 130 9.758 2.367 3.638 1.00 0.00 H new ATOM 0 HA TYR A 130 7.554 3.840 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.773 1.806 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.568 2.367 4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.945 3.420 2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 130 6.372 3.654 6.492 1.00 0.00 H new ATOM 0 HE1 TYR A 130 2.904 4.620 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.331 4.846 7.151 1.00 0.00 H new ATOM 0 HH TYR A 130 2.393 5.669 6.516 1.00 0.00 H new ATOM 838 N ILE A 131 8.689 5.835 3.271 1.00 0.00 N ATOM 839 CA ILE A 131 9.224 7.041 3.886 1.00 0.00 C ATOM 840 C ILE A 131 8.285 8.212 3.656 1.00 0.00 C ATOM 841 O ILE A 131 7.983 8.555 2.513 1.00 0.00 O ATOM 842 CB ILE A 131 10.629 7.398 3.341 1.00 0.00 C ATOM 843 CG1 ILE A 131 11.352 6.144 2.835 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.460 8.082 4.416 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.441 6.434 1.827 1.00 0.00 C ATOM 0 H ILE A 131 8.418 5.941 2.293 1.00 0.00 H new ATOM 0 HA ILE A 131 9.315 6.841 4.954 1.00 0.00 H new ATOM 0 HB ILE A 131 10.502 8.085 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.787 5.619 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.622 5.472 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.444 8.326 4.015 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.961 8.997 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.571 7.414 5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.907 5.499 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.010 6.932 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.193 7.081 2.279 1.00 0.00 H new ATOM 857 N ASN A 132 7.803 8.800 4.752 1.00 0.00 N ATOM 858 CA ASN A 132 6.893 9.949 4.693 1.00 0.00 C ATOM 859 C ASN A 132 5.609 9.597 3.943 1.00 0.00 C ATOM 860 O ASN A 132 5.013 10.437 3.272 1.00 0.00 O ATOM 861 CB ASN A 132 7.583 11.151 4.030 1.00 0.00 C ATOM 862 CG ASN A 132 7.101 12.478 4.586 1.00 0.00 C ATOM 863 OD1 ASN A 132 6.400 12.527 5.598 1.00 0.00 O ATOM 864 ND2 ASN A 132 7.475 13.564 3.928 1.00 0.00 N ATOM 0 H ASN A 132 8.029 8.497 5.700 1.00 0.00 H new ATOM 0 HA ASN A 132 6.627 10.217 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.661 11.071 4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.401 11.123 2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 132 7.182 14.485 4.255 1.00 0.00 H new ATOM 0 HD22 ASN A 132 8.056 13.480 3.094 1.00 0.00 H new ATOM 871 N GLY A 133 5.189 8.342 4.065 1.00 0.00 N ATOM 872 CA GLY A 133 3.996 7.885 3.378 1.00 0.00 C ATOM 873 C GLY A 133 4.218 7.685 1.892 1.00 0.00 C ATOM 874 O GLY A 133 3.308 7.892 1.088 1.00 0.00 O ATOM 0 H GLY A 133 5.655 7.632 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.663 6.946 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.195 8.609 3.527 1.00 0.00 H new ATOM 878 N SER A 134 5.423 7.273 1.524 1.00 0.00 N ATOM 879 CA SER A 134 5.759 7.062 0.125 1.00 0.00 C ATOM 880 C SER A 134 6.485 5.735 -0.039 1.00 0.00 C ATOM 881 O SER A 134 7.407 5.426 0.722 1.00 0.00 O ATOM 882 CB SER A 134 6.610 8.221 -0.407 1.00 0.00 C ATOM 883 OG SER A 134 6.395 9.407 0.348 1.00 0.00 O ATOM 0 H SER A 134 6.183 7.079 2.175 1.00 0.00 H new ATOM 0 HA SER A 134 4.838 7.029 -0.458 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.665 7.949 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.366 8.404 -1.454 1.00 0.00 H new ATOM 0 HG SER A 134 6.876 9.344 1.199 1.00 0.00 H new ATOM 889 N LEU A 135 6.042 4.945 -1.008 1.00 0.00 N ATOM 890 CA LEU A 135 6.588 3.617 -1.232 1.00 0.00 C ATOM 891 C LEU A 135 7.612 3.617 -2.362 1.00 0.00 C ATOM 892 O LEU A 135 7.388 4.211 -3.419 1.00 0.00 O ATOM 893 CB LEU A 135 5.453 2.643 -1.546 1.00 0.00 C ATOM 894 CG LEU A 135 4.710 2.103 -0.320 1.00 0.00 C ATOM 895 CD1 LEU A 135 3.645 3.081 0.147 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.091 0.753 -0.630 1.00 0.00 C ATOM 0 H LEU A 135 5.299 5.206 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 135 7.100 3.300 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.735 3.142 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.860 1.801 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 135 5.432 1.980 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.133 2.673 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.113 4.029 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.924 3.244 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.567 0.382 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 135 3.386 0.857 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.875 0.049 -0.909 1.00 0.00 H new ATOM 908 N PHE A 136 8.740 2.962 -2.113 1.00 0.00 N ATOM 909 CA PHE A 136 9.809 2.825 -3.096 1.00 0.00 C ATOM 910 C PHE A 136 10.338 1.393 -3.079 1.00 0.00 C ATOM 911 O PHE A 136 10.055 0.638 -2.140 1.00 0.00 O ATOM 912 CB PHE A 136 10.955 3.800 -2.800 1.00 0.00 C ATOM 913 CG PHE A 136 10.514 5.200 -2.472 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.196 6.095 -3.479 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.426 5.620 -1.153 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.798 7.382 -3.178 1.00 0.00 C ATOM 917 CE2 PHE A 136 10.029 6.905 -0.846 1.00 0.00 C ATOM 918 CZ PHE A 136 9.716 7.789 -1.857 1.00 0.00 C ATOM 0 H PHE A 136 8.940 2.509 -1.221 1.00 0.00 H new ATOM 0 HA PHE A 136 9.404 3.059 -4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.539 3.412 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.618 3.835 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.260 5.783 -4.511 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.671 4.933 -0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 136 9.551 8.071 -3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.963 7.218 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 136 9.408 8.796 -1.619 1.00 0.00 H new ATOM 928 N CYS A 137 11.108 1.021 -4.098 1.00 0.00 N ATOM 929 CA CYS A 137 11.685 -0.315 -4.170 1.00 0.00 C ATOM 930 C CYS A 137 13.193 -0.268 -3.942 1.00 0.00 C ATOM 931 O CYS A 137 13.738 0.754 -3.525 1.00 0.00 O ATOM 932 CB CYS A 137 11.372 -0.977 -5.521 1.00 0.00 C ATOM 933 SG CYS A 137 12.297 -0.309 -6.946 1.00 0.00 S ATOM 0 H CYS A 137 11.346 1.626 -4.884 1.00 0.00 H new ATOM 0 HA CYS A 137 11.234 -0.915 -3.380 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.579 -2.044 -5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.305 -0.874 -5.720 1.00 0.00 H new ATOM 0 HG CYS A 137 12.231 0.989 -6.936 1.00 0.00 H new ATOM 938 N GLU A 138 13.861 -1.381 -4.217 1.00 0.00 N ATOM 939 CA GLU A 138 15.310 -1.461 -4.073 1.00 0.00 C ATOM 940 C GLU A 138 16.000 -0.781 -5.247 1.00 0.00 C ATOM 941 O GLU A 138 17.112 -0.264 -5.119 1.00 0.00 O ATOM 942 CB GLU A 138 15.759 -2.925 -3.970 1.00 0.00 C ATOM 943 CG GLU A 138 17.181 -3.089 -3.456 1.00 0.00 C ATOM 944 CD GLU A 138 17.783 -4.435 -3.811 1.00 0.00 C ATOM 945 OE1 GLU A 138 17.632 -4.875 -4.969 1.00 0.00 O ATOM 946 OE2 GLU A 138 18.409 -5.059 -2.927 1.00 0.00 O ATOM 0 H GLU A 138 13.422 -2.243 -4.542 1.00 0.00 H new ATOM 0 HA GLU A 138 15.593 -0.944 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 138 15.078 -3.460 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 138 15.680 -3.391 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 138 17.805 -2.297 -3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 138 17.187 -2.968 -2.373 1.00 0.00 H new ATOM 953 N HIS A 139 15.313 -0.748 -6.377 1.00 0.00 N ATOM 954 CA HIS A 139 15.877 -0.216 -7.607 1.00 0.00 C ATOM 955 C HIS A 139 15.960 1.308 -7.544 1.00 0.00 C ATOM 956 O HIS A 139 16.965 1.903 -7.932 1.00 0.00 O ATOM 957 CB HIS A 139 15.022 -0.660 -8.800 1.00 0.00 C ATOM 958 CG HIS A 139 15.706 -0.563 -10.131 1.00 0.00 C ATOM 959 ND1 HIS A 139 15.000 -0.700 -11.299 1.00 0.00 N ATOM 960 CD2 HIS A 139 17.014 -0.353 -10.427 1.00 0.00 C ATOM 961 CE1 HIS A 139 15.883 -0.573 -12.272 1.00 0.00 C ATOM 962 NE2 HIS A 139 17.118 -0.362 -11.795 1.00 0.00 N ATOM 0 H HIS A 139 14.355 -1.087 -6.468 1.00 0.00 H new ATOM 0 HA HIS A 139 16.888 -0.604 -7.731 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.709 -1.692 -8.642 1.00 0.00 H new ATOM 0 HB3 HIS A 139 14.117 -0.053 -8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 139 17.818 -0.207 -9.721 1.00 0.00 H new ATOM 0 HE1 HIS A 139 15.640 -0.632 -13.323 1.00 0.00 H new ATOM 0 HE2 HIS A 139 17.969 -0.233 -12.342 1.00 0.00 H new ATOM 970 N ASP A 140 14.910 1.931 -7.025 1.00 0.00 N ATOM 971 CA ASP A 140 14.835 3.391 -6.976 1.00 0.00 C ATOM 972 C ASP A 140 15.172 3.922 -5.583 1.00 0.00 C ATOM 973 O ASP A 140 15.241 5.135 -5.381 1.00 0.00 O ATOM 974 CB ASP A 140 13.448 3.866 -7.430 1.00 0.00 C ATOM 975 CG ASP A 140 12.394 3.861 -6.335 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.322 4.859 -5.583 1.00 0.00 O ATOM 977 OD2 ASP A 140 11.608 2.886 -6.233 1.00 0.00 O ATOM 0 H ASP A 140 14.099 1.453 -6.632 1.00 0.00 H new ATOM 0 HA ASP A 140 15.580 3.793 -7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.536 4.877 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.109 3.229 -8.247 1.00 0.00 H new ATOM 982 N ARG A 141 15.425 2.984 -4.662 1.00 0.00 N ATOM 983 CA ARG A 141 15.732 3.264 -3.244 1.00 0.00 C ATOM 984 C ARG A 141 16.434 4.615 -3.028 1.00 0.00 C ATOM 985 O ARG A 141 17.624 4.767 -3.326 1.00 0.00 O ATOM 986 CB ARG A 141 16.596 2.127 -2.688 1.00 0.00 C ATOM 987 CG ARG A 141 17.156 2.374 -1.294 1.00 0.00 C ATOM 988 CD ARG A 141 18.158 1.295 -0.923 1.00 0.00 C ATOM 989 NE ARG A 141 18.905 1.614 0.295 1.00 0.00 N ATOM 990 CZ ARG A 141 20.223 1.833 0.325 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.918 1.867 -0.805 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.835 2.048 1.487 1.00 0.00 N ATOM 0 H ARG A 141 15.423 1.988 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 141 14.783 3.326 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 141 16.001 1.214 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 141 17.426 1.952 -3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 141 17.636 3.352 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 141 16.344 2.389 -0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 141 17.634 0.349 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 141 18.857 1.155 -1.747 1.00 0.00 H new ATOM 0 HE ARG A 141 18.389 1.673 1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.446 1.726 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 141 21.924 2.034 -0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 141 20.298 2.046 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.841 2.215 1.510 1.00 0.00 H new ATOM 1006 N PRO A 142 15.692 5.606 -2.504 1.00 0.00 N ATOM 1007 CA PRO A 142 16.222 6.940 -2.218 1.00 0.00 C ATOM 1008 C PRO A 142 17.023 6.979 -0.918 1.00 0.00 C ATOM 1009 O PRO A 142 16.488 7.269 0.154 1.00 0.00 O ATOM 1010 CB PRO A 142 14.962 7.796 -2.106 1.00 0.00 C ATOM 1011 CG PRO A 142 13.905 6.859 -1.629 1.00 0.00 C ATOM 1012 CD PRO A 142 14.258 5.499 -2.172 1.00 0.00 C ATOM 0 HA PRO A 142 16.918 7.282 -2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 142 15.105 8.620 -1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 142 14.696 8.236 -3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 142 13.865 6.843 -0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 142 12.922 7.173 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.077 4.716 -1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.662 5.254 -3.051 1.00 0.00 H new ATOM 1020 N THR A 143 18.313 6.703 -1.035 1.00 0.00 N ATOM 1021 CA THR A 143 19.213 6.631 0.108 1.00 0.00 C ATOM 1022 C THR A 143 19.203 7.909 0.949 1.00 0.00 C ATOM 1023 O THR A 143 19.390 7.858 2.161 1.00 0.00 O ATOM 1024 CB THR A 143 20.641 6.354 -0.378 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.606 6.003 -1.773 1.00 0.00 O ATOM 1026 CG2 THR A 143 21.275 5.227 0.419 1.00 0.00 C ATOM 0 H THR A 143 18.768 6.522 -1.930 1.00 0.00 H new ATOM 0 HA THR A 143 18.860 5.819 0.744 1.00 0.00 H new ATOM 0 HB THR A 143 21.241 7.253 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 143 21.517 5.827 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.287 5.049 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 143 21.311 5.502 1.473 1.00 0.00 H new ATOM 0 HG23 THR A 143 20.683 4.320 0.301 1.00 0.00 H new ATOM 1034 N ALA A 144 18.961 9.044 0.307 1.00 0.00 N ATOM 1035 CA ALA A 144 19.015 10.335 0.986 1.00 0.00 C ATOM 1036 C ALA A 144 17.797 10.575 1.878 1.00 0.00 C ATOM 1037 O ALA A 144 17.816 11.459 2.737 1.00 0.00 O ATOM 1038 CB ALA A 144 19.138 11.449 -0.037 1.00 0.00 C ATOM 0 H ALA A 144 18.725 9.099 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 144 19.892 10.327 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 144 19.178 12.410 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 144 20.049 11.310 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 144 18.275 11.428 -0.703 1.00 0.00 H new ATOM 1044 N LEU A 145 16.747 9.790 1.681 1.00 0.00 N ATOM 1045 CA LEU A 145 15.503 9.992 2.418 1.00 0.00 C ATOM 1046 C LEU A 145 15.476 9.159 3.693 1.00 0.00 C ATOM 1047 O LEU A 145 14.756 9.478 4.640 1.00 0.00 O ATOM 1048 CB LEU A 145 14.303 9.638 1.540 1.00 0.00 C ATOM 1049 CG LEU A 145 13.503 10.833 1.004 1.00 0.00 C ATOM 1050 CD1 LEU A 145 13.081 11.757 2.138 1.00 0.00 C ATOM 1051 CD2 LEU A 145 14.311 11.599 -0.035 1.00 0.00 C ATOM 0 H LEU A 145 16.729 9.012 1.022 1.00 0.00 H new ATOM 0 HA LEU A 145 15.446 11.044 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 145 14.655 9.049 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 145 13.630 9.000 2.114 1.00 0.00 H new ATOM 0 HG LEU A 145 12.603 10.448 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 145 12.516 12.596 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 145 12.458 11.207 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 145 13.967 12.131 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 145 13.726 12.442 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 145 15.232 11.967 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 145 14.555 10.937 -0.866 1.00 0.00 H new ATOM 1063 N ILE A 146 16.270 8.101 3.721 1.00 0.00 N ATOM 1064 CA ILE A 146 16.294 7.200 4.864 1.00 0.00 C ATOM 1065 C ILE A 146 17.645 7.257 5.561 1.00 0.00 C ATOM 1066 O ILE A 146 18.637 7.677 4.969 1.00 0.00 O ATOM 1067 CB ILE A 146 16.004 5.737 4.456 1.00 0.00 C ATOM 1068 CG1 ILE A 146 16.125 5.556 2.940 1.00 0.00 C ATOM 1069 CG2 ILE A 146 14.622 5.325 4.936 1.00 0.00 C ATOM 1070 CD1 ILE A 146 17.187 4.561 2.528 1.00 0.00 C ATOM 0 H ILE A 146 16.906 7.844 2.966 1.00 0.00 H new ATOM 0 HA ILE A 146 15.509 7.533 5.543 1.00 0.00 H new ATOM 0 HB ILE A 146 16.746 5.094 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 146 15.163 5.231 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 146 16.348 6.521 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 146 14.428 4.293 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 146 14.574 5.410 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 146 13.872 5.976 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 146 17.214 4.486 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 146 18.159 4.894 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 146 16.955 3.584 2.953 1.00 0.00 H new ATOM 1146 N GLY A 207 16.134 -1.819 3.818 1.00 0.00 N ATOM 1147 CA GLY A 207 15.206 -0.811 4.282 1.00 0.00 C ATOM 1148 C GLY A 207 14.138 -1.419 5.158 1.00 0.00 C ATOM 1149 O GLY A 207 14.397 -1.788 6.303 1.00 0.00 O ATOM 0 HA2 GLY A 207 15.745 -0.045 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 207 14.743 -0.318 3.428 1.00 0.00 H new ATOM 1153 N SER A 208 12.938 -1.534 4.624 1.00 0.00 N ATOM 1154 CA SER A 208 11.865 -2.218 5.319 1.00 0.00 C ATOM 1155 C SER A 208 11.445 -3.455 4.529 1.00 0.00 C ATOM 1156 O SER A 208 11.878 -3.647 3.391 1.00 0.00 O ATOM 1157 CB SER A 208 10.677 -1.275 5.515 1.00 0.00 C ATOM 1158 OG SER A 208 11.101 0.082 5.553 1.00 0.00 O ATOM 0 H SER A 208 12.681 -1.162 3.710 1.00 0.00 H new ATOM 0 HA SER A 208 12.218 -2.532 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 208 9.962 -1.413 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 208 10.160 -1.524 6.442 1.00 0.00 H new ATOM 0 HG SER A 208 10.323 0.665 5.677 1.00 0.00 H new ATOM 1164 N ILE A 404 10.628 -4.296 5.138 1.00 0.00 N ATOM 1165 CA ILE A 404 10.144 -5.505 4.486 1.00 0.00 C ATOM 1166 C ILE A 404 8.642 -5.413 4.278 1.00 0.00 C ATOM 1167 O ILE A 404 7.890 -5.153 5.221 1.00 0.00 O ATOM 1168 CB ILE A 404 10.483 -6.761 5.324 1.00 0.00 C ATOM 1169 CG1 ILE A 404 11.997 -6.868 5.538 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.953 -8.023 4.659 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.800 -6.915 4.253 1.00 0.00 C ATOM 0 H ILE A 404 10.283 -4.165 6.089 1.00 0.00 H new ATOM 0 HA ILE A 404 10.640 -5.595 3.520 1.00 0.00 H new ATOM 0 HB ILE A 404 9.997 -6.660 6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.331 -6.017 6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.209 -7.765 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 404 10.206 -8.890 5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.870 -7.954 4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.403 -8.131 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.861 -6.991 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.497 -7.782 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.620 -6.006 3.678 1.00 0.00 H new ATOM 1183 N ALA A 405 8.216 -5.607 3.039 1.00 0.00 N ATOM 1184 CA ALA A 405 6.810 -5.497 2.691 1.00 0.00 C ATOM 1185 C ALA A 405 6.001 -6.604 3.346 1.00 0.00 C ATOM 1186 O ALA A 405 6.417 -7.765 3.354 1.00 0.00 O ATOM 1187 CB ALA A 405 6.627 -5.535 1.184 1.00 0.00 C ATOM 0 H ALA A 405 8.827 -5.842 2.257 1.00 0.00 H new ATOM 0 HA ALA A 405 6.446 -4.539 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.567 -5.451 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.168 -4.705 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 405 7.014 -6.476 0.794 1.00 0.00 H new ATOM 1193 N PRO A 406 4.846 -6.249 3.929 1.00 0.00 N ATOM 1194 CA PRO A 406 3.928 -7.214 4.537 1.00 0.00 C ATOM 1195 C PRO A 406 3.299 -8.132 3.491 1.00 0.00 C ATOM 1196 O PRO A 406 3.623 -8.059 2.304 1.00 0.00 O ATOM 1197 CB PRO A 406 2.849 -6.340 5.195 1.00 0.00 C ATOM 1198 CG PRO A 406 3.425 -4.968 5.238 1.00 0.00 C ATOM 1199 CD PRO A 406 4.341 -4.878 4.053 1.00 0.00 C ATOM 0 HA PRO A 406 4.438 -7.871 5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 406 1.923 -6.360 4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 406 2.610 -6.698 6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 406 2.641 -4.212 5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 406 3.969 -4.800 6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 406 3.811 -4.559 3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.147 -4.163 4.218 1.00 0.00 H new ATOM 1207 N PHE A 407 2.396 -8.986 3.937 1.00 0.00 N ATOM 1208 CA PHE A 407 1.733 -9.929 3.050 1.00 0.00 C ATOM 1209 C PHE A 407 0.282 -9.510 2.836 1.00 0.00 C ATOM 1210 O PHE A 407 -0.238 -8.695 3.600 1.00 0.00 O ATOM 1211 CB PHE A 407 1.781 -11.342 3.651 1.00 0.00 C ATOM 1212 CG PHE A 407 3.069 -12.078 3.400 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.215 -11.770 4.116 1.00 0.00 C ATOM 1214 CD2 PHE A 407 3.132 -13.084 2.449 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.398 -12.450 3.891 1.00 0.00 C ATOM 1216 CE2 PHE A 407 4.311 -13.770 2.219 1.00 0.00 C ATOM 1217 CZ PHE A 407 5.445 -13.452 2.940 1.00 0.00 C ATOM 0 H PHE A 407 2.103 -9.047 4.912 1.00 0.00 H new ATOM 0 HA PHE A 407 2.250 -9.933 2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.620 -11.272 4.727 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.957 -11.926 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.184 -10.988 4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 407 2.249 -13.336 1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.283 -12.199 4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 407 4.345 -14.553 1.476 1.00 0.00 H new ATOM 0 HZ PHE A 407 6.367 -13.985 2.761 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.384 -10.053 1.796 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.792 -9.760 1.523 1.00 0.00 C ATOM 1229 C PRO A 408 -2.670 -10.034 2.737 1.00 0.00 C ATOM 1230 O PRO A 408 -2.782 -11.170 3.203 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.155 -10.701 0.366 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.048 -11.697 0.301 1.00 0.00 C ATOM 1233 CD PRO A 408 0.173 -10.988 0.806 1.00 0.00 C ATOM 0 HA PRO A 408 -1.950 -8.709 1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.113 -11.190 0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.246 -10.153 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.273 -12.571 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.900 -12.051 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 408 0.885 -11.679 1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.698 -10.466 0.006 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.282 -8.981 3.237 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.094 -9.039 4.439 1.00 0.00 C ATOM 1243 C GLU A 409 -5.545 -8.718 4.107 1.00 0.00 C ATOM 1244 O GLU A 409 -5.871 -8.418 2.961 1.00 0.00 O ATOM 1245 CB GLU A 409 -3.564 -8.033 5.464 1.00 0.00 C ATOM 1246 CG GLU A 409 -3.036 -8.673 6.731 1.00 0.00 C ATOM 1247 CD GLU A 409 -3.872 -8.325 7.947 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -4.853 -9.042 8.223 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -3.545 -7.333 8.639 1.00 0.00 O ATOM 0 H GLU A 409 -3.231 -8.052 2.819 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.042 -10.045 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -2.768 -7.446 5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -4.363 -7.338 5.724 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -3.015 -9.756 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -2.008 -8.351 6.896 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.415 -8.782 5.100 1.00 0.00 N ATOM 1257 CA ALA A 410 -7.802 -8.389 4.912 1.00 0.00 C ATOM 1258 C ALA A 410 -8.118 -7.189 5.797 1.00 0.00 C ATOM 1259 O ALA A 410 -7.945 -7.245 7.015 1.00 0.00 O ATOM 1260 CB ALA A 410 -8.737 -9.554 5.209 1.00 0.00 C ATOM 0 H ALA A 410 -6.187 -9.101 6.042 1.00 0.00 H new ATOM 0 HA ALA A 410 -7.955 -8.104 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -9.770 -9.238 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -8.512 -10.382 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -8.600 -9.877 6.241 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.550 -6.099 5.184 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.819 -4.872 5.917 1.00 0.00 C ATOM 1268 C ALA A 411 -10.270 -4.813 6.382 1.00 0.00 C ATOM 1269 O ALA A 411 -10.841 -5.820 6.798 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.476 -3.666 5.058 1.00 0.00 C ATOM 0 H ALA A 411 -8.722 -6.038 4.180 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.189 -4.859 6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.681 -2.752 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.420 -3.699 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -9.081 -3.681 4.151 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.856 -3.626 6.318 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.230 -3.427 6.741 1.00 0.00 C ATOM 1278 C LEU A 412 -13.177 -3.626 5.561 1.00 0.00 C ATOM 1279 O LEU A 412 -13.154 -2.846 4.607 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.407 -2.022 7.324 1.00 0.00 C ATOM 1281 CG LEU A 412 -12.299 -1.911 8.852 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -11.505 -3.068 9.441 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -11.674 -0.577 9.246 1.00 0.00 C ATOM 0 H LEU A 412 -10.396 -2.783 5.975 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.467 -4.160 7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.658 -1.368 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -13.383 -1.644 7.020 1.00 0.00 H new ATOM 0 HG LEU A 412 -13.308 -1.961 9.261 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -11.449 -2.957 10.524 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -11.999 -4.009 9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -10.498 -3.068 9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -11.605 -0.514 10.332 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -10.676 -0.501 8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -12.294 0.239 8.874 1.00 0.00 H new ATOM 1295 N PRO A 413 -14.003 -4.680 5.612 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.941 -5.013 4.534 1.00 0.00 C ATOM 1297 C PRO A 413 -15.917 -3.881 4.215 1.00 0.00 C ATOM 1298 O PRO A 413 -16.275 -3.078 5.083 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.697 -6.237 5.064 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.432 -6.264 6.529 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.084 -5.640 6.720 1.00 0.00 C ATOM 0 HA PRO A 413 -14.412 -5.195 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.765 -6.158 4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.348 -7.152 4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -16.198 -5.711 7.074 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -15.446 -7.286 6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.002 -5.146 7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.286 -6.381 6.671 1.00 0.00 H new ATOM 1309 N THR A 414 -16.349 -3.840 2.961 1.00 0.00 N ATOM 1310 CA THR A 414 -17.263 -2.817 2.475 1.00 0.00 C ATOM 1311 C THR A 414 -18.664 -3.013 3.042 1.00 0.00 C ATOM 1312 O THR A 414 -19.207 -4.117 2.992 1.00 0.00 O ATOM 1313 CB THR A 414 -17.341 -2.869 0.939 1.00 0.00 C ATOM 1314 OG1 THR A 414 -16.033 -3.098 0.393 1.00 0.00 O ATOM 1315 CG2 THR A 414 -17.926 -1.584 0.372 1.00 0.00 C ATOM 0 H THR A 414 -16.074 -4.518 2.251 1.00 0.00 H new ATOM 0 HA THR A 414 -16.881 -1.850 2.802 1.00 0.00 H new ATOM 0 HB THR A 414 -18.001 -3.690 0.659 1.00 0.00 H new ATOM 0 HG1 THR A 414 -16.088 -3.132 -0.585 1.00 0.00 H new ATOM 0 HG21 THR A 414 -17.968 -1.652 -0.715 1.00 0.00 H new ATOM 0 HG22 THR A 414 -18.932 -1.438 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 414 -17.298 -0.741 0.659 1.00 0.00 H new ATOM 1323 N SER A 415 -19.237 -1.949 3.592 1.00 0.00 N ATOM 1324 CA SER A 415 -20.614 -1.984 4.049 1.00 0.00 C ATOM 1325 C SER A 415 -21.548 -2.172 2.857 1.00 0.00 C ATOM 1326 O SER A 415 -21.736 -1.261 2.050 1.00 0.00 O ATOM 1327 CB SER A 415 -20.938 -0.687 4.787 1.00 0.00 C ATOM 1328 OG SER A 415 -19.745 0.004 5.137 1.00 0.00 O ATOM 0 H SER A 415 -18.767 -1.054 3.731 1.00 0.00 H new ATOM 0 HA SER A 415 -20.753 -2.821 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 415 -21.561 -0.051 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.513 -0.908 5.686 1.00 0.00 H new ATOM 0 HG SER A 415 -19.973 0.833 5.607 1.00 0.00 H new