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 -158:sc= 1.54 USER MOD Set 1.2: A 118 CYS SG : rot 115:sc= 0.187 USER MOD Set 1.3: A 120 ASN : amide:sc= -0.838 K(o=0.8,f=-0.16) USER MOD Set 1.4: A 137 CYS SG : rot -62:sc= -0.0963! USER MOD Set 2.1: A 87 CYS SG : rot 180:sc= 1.05 USER MOD Set 2.2: A 90 CYS SG : rot -51:sc= 0.781! USER MOD Set 2.3: A 109 HIS : no HD1:sc= -0.903 K(o=-4.4,f=-5) USER MOD Set 2.4: A 112 CYS SG : rot 139:sc= -5.28! USER MOD Set 3.1: A 88 SER OG : rot -110:sc= 0.67 USER MOD Set 3.2: A 106 ASN : amide:sc= 0.995 K(o=3.6,f=3) USER MOD Set 3.3: A 108 TYR OH : rot 15:sc= 1.04 USER MOD Set 3.4: A 130 TYR OH : rot 15:sc= 0.865 USER MOD Single : A 83 ASN : amide:sc=-0.00564 X(o=-0.0056,f=-0.0056) USER MOD Single : A 84 SER OG : rot -119:sc= 0.854 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.157 F(o=-1,f=-0.16) USER MOD Single : A 93 SER OG : rot 102:sc= 0.701 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -116:sc= -0.395 (180deg=-4.58!) USER MOD Single : A 104 GLN : amide:sc=-0.00798 K(o=-0.008,f=-0.84) USER MOD Single : A 111 LYS NZ :NH3+ 122:sc= 1.15 (180deg=-0.843) USER MOD Single : A 114 THR OG1 : rot -140:sc= 0.00181 USER MOD Single : A 116 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 117 THR OG1 : rot 105:sc= 0.818 USER MOD Single : A 129 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-2.7!) USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.56) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.00547 USER MOD Single : A 208 SER OG : rot 180:sc= 0.0836 USER MOD Single : A 414 THR OG1 : rot 80:sc= 0.395 USER MOD Single : A 415 SER OG : rot 180:sc= -0.007 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -14.901 8.011 -3.086 1.00 0.00 N ATOM 62 CA ARG A 79 -13.927 7.102 -3.664 1.00 0.00 C ATOM 63 C ARG A 79 -14.091 5.739 -3.017 1.00 0.00 C ATOM 64 O ARG A 79 -13.210 4.886 -3.079 1.00 0.00 O ATOM 65 CB ARG A 79 -12.497 7.631 -3.480 1.00 0.00 C ATOM 66 CG ARG A 79 -11.545 7.212 -4.595 1.00 0.00 C ATOM 67 CD ARG A 79 -10.384 8.186 -4.748 1.00 0.00 C ATOM 68 NE ARG A 79 -9.142 7.510 -5.126 1.00 0.00 N ATOM 69 CZ ARG A 79 -8.094 8.129 -5.675 1.00 0.00 C ATOM 70 NH1 ARG A 79 -8.152 9.430 -5.950 1.00 0.00 N ATOM 71 NH2 ARG A 79 -6.996 7.447 -5.978 1.00 0.00 N ATOM 0 HA ARG A 79 -14.100 7.020 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.525 8.719 -3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.106 7.275 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.157 6.215 -4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.093 7.150 -5.535 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.634 8.931 -5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.234 8.720 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.073 6.506 -4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.999 9.958 -5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.349 9.899 -6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.950 6.445 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.198 7.925 -6.397 1.00 0.00 H new ATOM 85 N LEU A 80 -15.235 5.561 -2.373 1.00 0.00 N ATOM 86 CA LEU A 80 -15.568 4.323 -1.710 1.00 0.00 C ATOM 87 C LEU A 80 -17.075 4.113 -1.783 1.00 0.00 C ATOM 88 O LEU A 80 -17.842 4.982 -1.370 1.00 0.00 O ATOM 89 CB LEU A 80 -15.061 4.333 -0.253 1.00 0.00 C ATOM 90 CG LEU A 80 -15.536 5.489 0.649 1.00 0.00 C ATOM 91 CD1 LEU A 80 -15.198 5.191 2.095 1.00 0.00 C ATOM 92 CD2 LEU A 80 -14.906 6.815 0.255 1.00 0.00 C ATOM 0 H LEU A 80 -15.957 6.278 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.075 3.490 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -15.359 3.395 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.971 4.347 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.615 5.574 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.537 6.013 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -15.694 4.270 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.119 5.075 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.269 7.601 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.822 6.742 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.175 7.054 -0.774 1.00 0.00 H new ATOM 104 N PHE A 81 -17.483 2.976 -2.349 1.00 0.00 N ATOM 105 CA PHE A 81 -18.896 2.671 -2.578 1.00 0.00 C ATOM 106 C PHE A 81 -19.694 2.853 -1.294 1.00 0.00 C ATOM 107 O PHE A 81 -20.622 3.661 -1.235 1.00 0.00 O ATOM 108 CB PHE A 81 -19.050 1.238 -3.109 1.00 0.00 C ATOM 109 CG PHE A 81 -18.790 1.103 -4.587 1.00 0.00 C ATOM 110 CD1 PHE A 81 -17.944 1.986 -5.239 1.00 0.00 C ATOM 111 CD2 PHE A 81 -19.391 0.092 -5.321 1.00 0.00 C ATOM 112 CE1 PHE A 81 -17.701 1.865 -6.592 1.00 0.00 C ATOM 113 CE2 PHE A 81 -19.153 -0.035 -6.676 1.00 0.00 C ATOM 114 CZ PHE A 81 -18.306 0.853 -7.311 1.00 0.00 C ATOM 0 H PHE A 81 -16.846 2.243 -2.661 1.00 0.00 H new ATOM 0 HA PHE A 81 -19.286 3.362 -3.325 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -18.365 0.585 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -20.060 0.888 -2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -17.469 2.779 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -20.053 -0.604 -4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -17.039 2.560 -7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -19.628 -0.826 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 81 -18.117 0.756 -8.370 1.00 0.00 H new ATOM 124 N GLY A 82 -19.332 2.098 -0.271 1.00 0.00 N ATOM 125 CA GLY A 82 -19.852 2.360 1.046 1.00 0.00 C ATOM 126 C GLY A 82 -18.881 3.213 1.830 1.00 0.00 C ATOM 127 O GLY A 82 -17.709 2.856 1.954 1.00 0.00 O ATOM 0 H GLY A 82 -18.688 1.310 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -20.814 2.867 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.027 1.420 1.570 1.00 0.00 H new ATOM 131 N ASN A 83 -19.345 4.347 2.333 1.00 0.00 N ATOM 132 CA ASN A 83 -18.487 5.257 3.089 1.00 0.00 C ATOM 133 C ASN A 83 -18.024 4.588 4.388 1.00 0.00 C ATOM 134 O ASN A 83 -18.675 4.706 5.429 1.00 0.00 O ATOM 135 CB ASN A 83 -19.245 6.555 3.406 1.00 0.00 C ATOM 136 CG ASN A 83 -18.436 7.519 4.259 1.00 0.00 C ATOM 137 OD1 ASN A 83 -17.344 7.932 3.878 1.00 0.00 O ATOM 138 ND2 ASN A 83 -18.970 7.882 5.419 1.00 0.00 N ATOM 0 H ASN A 83 -20.310 4.662 2.233 1.00 0.00 H new ATOM 0 HA ASN A 83 -17.612 5.498 2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -19.520 7.046 2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -20.173 6.311 3.923 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -18.470 8.527 6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -19.880 7.516 5.698 1.00 0.00 H new ATOM 145 N SER A 84 -16.919 3.857 4.310 1.00 0.00 N ATOM 146 CA SER A 84 -16.377 3.142 5.456 1.00 0.00 C ATOM 147 C SER A 84 -14.856 3.058 5.360 1.00 0.00 C ATOM 148 O SER A 84 -14.141 3.540 6.238 1.00 0.00 O ATOM 149 CB SER A 84 -16.983 1.737 5.534 1.00 0.00 C ATOM 150 OG SER A 84 -17.629 1.396 4.315 1.00 0.00 O ATOM 0 H SER A 84 -16.376 3.744 3.454 1.00 0.00 H new ATOM 0 HA SER A 84 -16.636 3.688 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.200 1.010 5.751 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.698 1.690 6.355 1.00 0.00 H new ATOM 0 HG SER A 84 -18.580 1.231 4.484 1.00 0.00 H new ATOM 156 N GLY A 85 -14.369 2.459 4.277 1.00 0.00 N ATOM 157 CA GLY A 85 -12.937 2.337 4.069 1.00 0.00 C ATOM 158 C GLY A 85 -12.581 2.313 2.597 1.00 0.00 C ATOM 159 O GLY A 85 -13.450 2.087 1.756 1.00 0.00 O ATOM 0 H GLY A 85 -14.943 2.055 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.427 3.171 4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.577 1.425 4.545 1.00 0.00 H new ATOM 163 N ALA A 86 -11.310 2.548 2.286 1.00 0.00 N ATOM 164 CA ALA A 86 -10.839 2.579 0.903 1.00 0.00 C ATOM 165 C ALA A 86 -9.311 2.550 0.865 1.00 0.00 C ATOM 166 O ALA A 86 -8.664 2.828 1.874 1.00 0.00 O ATOM 167 CB ALA A 86 -11.364 3.824 0.191 1.00 0.00 C ATOM 0 H ALA A 86 -10.581 2.721 2.979 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.218 1.698 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.005 3.833 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.454 3.813 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.008 4.716 0.707 1.00 0.00 H new ATOM 173 N CYS A 87 -8.739 2.210 -0.287 1.00 0.00 N ATOM 174 CA CYS A 87 -7.292 2.203 -0.444 1.00 0.00 C ATOM 175 C CYS A 87 -6.840 3.535 -1.041 1.00 0.00 C ATOM 176 O CYS A 87 -7.538 4.120 -1.875 1.00 0.00 O ATOM 177 CB CYS A 87 -6.866 0.992 -1.298 1.00 0.00 C ATOM 178 SG CYS A 87 -5.696 1.320 -2.668 1.00 0.00 S ATOM 0 H CYS A 87 -9.256 1.937 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.803 2.098 0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.416 0.251 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.764 0.540 -1.719 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.429 0.208 -3.286 1.00 0.00 H new ATOM 183 N SER A 88 -5.683 4.013 -0.605 1.00 0.00 N ATOM 184 CA SER A 88 -5.216 5.345 -0.978 1.00 0.00 C ATOM 185 C SER A 88 -4.463 5.342 -2.308 1.00 0.00 C ATOM 186 O SER A 88 -3.791 6.319 -2.651 1.00 0.00 O ATOM 187 CB SER A 88 -4.328 5.917 0.129 1.00 0.00 C ATOM 188 OG SER A 88 -4.663 5.355 1.389 1.00 0.00 O ATOM 0 H SER A 88 -5.049 3.500 0.007 1.00 0.00 H new ATOM 0 HA SER A 88 -6.096 5.976 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.281 5.714 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.441 7.000 0.168 1.00 0.00 H new ATOM 0 HG SER A 88 -5.088 6.038 1.949 1.00 0.00 H new ATOM 194 N ALA A 89 -4.586 4.260 -3.064 1.00 0.00 N ATOM 195 CA ALA A 89 -3.919 4.165 -4.349 1.00 0.00 C ATOM 196 C ALA A 89 -4.923 4.172 -5.495 1.00 0.00 C ATOM 197 O ALA A 89 -4.887 5.054 -6.354 1.00 0.00 O ATOM 198 CB ALA A 89 -3.049 2.921 -4.398 1.00 0.00 C ATOM 0 H ALA A 89 -5.139 3.441 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.281 5.041 -4.467 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.554 2.861 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.298 2.971 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.670 2.037 -4.252 1.00 0.00 H new ATOM 204 N CYS A 90 -5.845 3.215 -5.493 1.00 0.00 N ATOM 205 CA CYS A 90 -6.787 3.093 -6.597 1.00 0.00 C ATOM 206 C CYS A 90 -8.101 3.808 -6.292 1.00 0.00 C ATOM 207 O CYS A 90 -8.390 4.866 -6.851 1.00 0.00 O ATOM 208 CB CYS A 90 -7.041 1.618 -6.957 1.00 0.00 C ATOM 209 SG CYS A 90 -7.856 0.624 -5.659 1.00 0.00 S ATOM 0 H CYS A 90 -5.959 2.524 -4.752 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.334 3.578 -7.462 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.654 1.582 -7.857 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -6.087 1.152 -7.202 1.00 0.00 H new ATOM 0 HG CYS A 90 -7.224 0.778 -4.534 1.00 0.00 H new ATOM 214 N GLY A 91 -8.892 3.229 -5.408 1.00 0.00 N ATOM 215 CA GLY A 91 -10.191 3.776 -5.092 1.00 0.00 C ATOM 216 C GLY A 91 -11.275 2.718 -5.149 1.00 0.00 C ATOM 217 O GLY A 91 -12.461 3.022 -5.047 1.00 0.00 O ATOM 0 H GLY A 91 -8.654 2.379 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.167 4.219 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.428 4.578 -5.791 1.00 0.00 H new ATOM 221 N GLN A 92 -10.873 1.467 -5.331 1.00 0.00 N ATOM 222 CA GLN A 92 -11.821 0.369 -5.286 1.00 0.00 C ATOM 223 C GLN A 92 -12.045 -0.053 -3.843 1.00 0.00 C ATOM 224 O GLN A 92 -11.113 -0.468 -3.150 1.00 0.00 O ATOM 225 CB GLN A 92 -11.337 -0.815 -6.126 1.00 0.00 C ATOM 226 CG GLN A 92 -12.080 -0.961 -7.446 1.00 0.00 C ATOM 227 CD GLN A 92 -13.508 -1.457 -7.268 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.437 -0.545 -6.992 1.00 0.00 O flip ATOM 229 NE2 GLN A 92 -13.782 -2.653 -7.375 1.00 0.00 N flip ATOM 0 H GLN A 92 -9.907 1.192 -5.509 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.766 0.708 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.272 -0.697 -6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.453 -1.732 -5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.096 0.002 -7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.537 -1.654 -8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.047 -3.328 -7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.744 -2.969 -7.251 1.00 0.00 H new ATOM 238 N SER A 93 -13.283 0.086 -3.391 1.00 0.00 N ATOM 239 CA SER A 93 -13.645 -0.229 -2.017 1.00 0.00 C ATOM 240 C SER A 93 -13.416 -1.706 -1.725 1.00 0.00 C ATOM 241 O SER A 93 -13.951 -2.568 -2.420 1.00 0.00 O ATOM 242 CB SER A 93 -15.099 0.159 -1.790 1.00 0.00 C ATOM 243 OG SER A 93 -15.463 1.196 -2.687 1.00 0.00 O ATOM 0 H SER A 93 -14.060 0.418 -3.962 1.00 0.00 H new ATOM 0 HA SER A 93 -13.013 0.337 -1.332 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.744 -0.707 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.241 0.489 -0.761 1.00 0.00 H new ATOM 0 HG SER A 93 -15.982 0.820 -3.428 1.00 0.00 H new ATOM 249 N ILE A 94 -12.623 -1.978 -0.694 1.00 0.00 N ATOM 250 CA ILE A 94 -12.160 -3.328 -0.390 1.00 0.00 C ATOM 251 C ILE A 94 -13.311 -4.258 -0.002 1.00 0.00 C ATOM 252 O ILE A 94 -13.938 -4.092 1.048 1.00 0.00 O ATOM 253 CB ILE A 94 -11.115 -3.306 0.749 1.00 0.00 C ATOM 254 CG1 ILE A 94 -10.030 -2.263 0.455 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.496 -4.686 0.941 1.00 0.00 C ATOM 256 CD1 ILE A 94 -9.855 -1.240 1.556 1.00 0.00 C ATOM 0 H ILE A 94 -12.283 -1.269 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.702 -3.714 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.620 -3.030 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.081 -2.775 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.277 -1.747 -0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.764 -4.647 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.277 -5.403 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.004 -4.996 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.071 -0.536 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.791 -0.701 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.577 -1.745 2.481 1.00 0.00 H new ATOM 268 N PRO A 95 -13.616 -5.239 -0.863 1.00 0.00 N ATOM 269 CA PRO A 95 -14.600 -6.276 -0.572 1.00 0.00 C ATOM 270 C PRO A 95 -14.057 -7.280 0.436 1.00 0.00 C ATOM 271 O PRO A 95 -12.859 -7.304 0.718 1.00 0.00 O ATOM 272 CB PRO A 95 -14.840 -6.957 -1.930 1.00 0.00 C ATOM 273 CG PRO A 95 -14.141 -6.107 -2.940 1.00 0.00 C ATOM 274 CD PRO A 95 -13.040 -5.407 -2.203 1.00 0.00 C ATOM 0 HA PRO A 95 -15.511 -5.869 -0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.445 -7.973 -1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.905 -7.028 -2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.742 -6.715 -3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.828 -5.389 -3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.125 -5.999 -2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.789 -4.450 -2.660 1.00 0.00 H new ATOM 282 N ALA A 96 -14.932 -8.123 0.961 1.00 0.00 N ATOM 283 CA ALA A 96 -14.538 -9.106 1.966 1.00 0.00 C ATOM 284 C ALA A 96 -13.698 -10.226 1.350 1.00 0.00 C ATOM 285 O ALA A 96 -13.265 -11.145 2.044 1.00 0.00 O ATOM 286 CB ALA A 96 -15.771 -9.681 2.649 1.00 0.00 C ATOM 0 H ALA A 96 -15.920 -8.149 0.710 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.923 -8.600 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.465 -10.413 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.326 -8.878 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.406 -10.164 1.907 1.00 0.00 H new ATOM 292 N SER A 97 -13.472 -10.144 0.046 1.00 0.00 N ATOM 293 CA SER A 97 -12.686 -11.144 -0.662 1.00 0.00 C ATOM 294 C SER A 97 -11.416 -10.528 -1.249 1.00 0.00 C ATOM 295 O SER A 97 -10.745 -11.139 -2.083 1.00 0.00 O ATOM 296 CB SER A 97 -13.533 -11.778 -1.766 1.00 0.00 C ATOM 297 OG SER A 97 -14.890 -11.371 -1.657 1.00 0.00 O ATOM 0 H SER A 97 -13.824 -9.391 -0.545 1.00 0.00 H new ATOM 0 HA SER A 97 -12.385 -11.916 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.140 -11.492 -2.742 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.468 -12.864 -1.702 1.00 0.00 H new ATOM 0 HG SER A 97 -15.415 -11.786 -2.373 1.00 0.00 H new ATOM 303 N GLU A 98 -11.092 -9.319 -0.814 1.00 0.00 N ATOM 304 CA GLU A 98 -9.889 -8.648 -1.276 1.00 0.00 C ATOM 305 C GLU A 98 -8.928 -8.450 -0.113 1.00 0.00 C ATOM 306 O GLU A 98 -9.348 -8.185 1.014 1.00 0.00 O ATOM 307 CB GLU A 98 -10.228 -7.304 -1.920 1.00 0.00 C ATOM 308 CG GLU A 98 -9.122 -6.750 -2.805 1.00 0.00 C ATOM 309 CD GLU A 98 -9.523 -6.633 -4.262 1.00 0.00 C ATOM 310 OE1 GLU A 98 -10.422 -7.377 -4.698 1.00 0.00 O ATOM 311 OE2 GLU A 98 -8.927 -5.798 -4.981 1.00 0.00 O ATOM 0 H GLU A 98 -11.645 -8.785 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.412 -9.273 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.135 -7.415 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.448 -6.581 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.829 -5.767 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.246 -7.394 -2.727 1.00 0.00 H new ATOM 318 N LEU A 99 -7.644 -8.589 -0.388 1.00 0.00 N ATOM 319 CA LEU A 99 -6.626 -8.486 0.642 1.00 0.00 C ATOM 320 C LEU A 99 -5.820 -7.206 0.462 1.00 0.00 C ATOM 321 O LEU A 99 -5.478 -6.826 -0.660 1.00 0.00 O ATOM 322 CB LEU A 99 -5.700 -9.707 0.593 1.00 0.00 C ATOM 323 CG LEU A 99 -5.888 -10.726 1.724 1.00 0.00 C ATOM 324 CD1 LEU A 99 -7.345 -11.150 1.839 1.00 0.00 C ATOM 325 CD2 LEU A 99 -4.993 -11.940 1.497 1.00 0.00 C ATOM 0 H LEU A 99 -7.280 -8.775 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.115 -8.455 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.849 -10.216 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.667 -9.359 0.610 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.601 -10.251 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.451 -11.873 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.963 -10.277 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.667 -11.605 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.137 -12.655 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.251 -12.410 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.950 -11.624 1.473 1.00 0.00 H new ATOM 337 N VAL A 100 -5.524 -6.544 1.569 1.00 0.00 N ATOM 338 CA VAL A 100 -4.794 -5.287 1.541 1.00 0.00 C ATOM 339 C VAL A 100 -3.499 -5.404 2.329 1.00 0.00 C ATOM 340 O VAL A 100 -3.428 -6.128 3.323 1.00 0.00 O ATOM 341 CB VAL A 100 -5.626 -4.123 2.119 1.00 0.00 C ATOM 342 CG1 VAL A 100 -6.434 -3.450 1.026 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.535 -4.604 3.239 1.00 0.00 C ATOM 0 H VAL A 100 -5.780 -6.859 2.505 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.577 -5.072 0.495 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.935 -3.391 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.014 -2.632 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.760 -3.058 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.110 -4.176 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.109 -3.763 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.217 -5.362 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.931 -5.032 4.039 1.00 0.00 H new ATOM 353 N MET A 101 -2.482 -4.692 1.879 1.00 0.00 N ATOM 354 CA MET A 101 -1.190 -4.695 2.535 1.00 0.00 C ATOM 355 C MET A 101 -1.095 -3.517 3.497 1.00 0.00 C ATOM 356 O MET A 101 -1.093 -2.359 3.078 1.00 0.00 O ATOM 357 CB MET A 101 -0.075 -4.616 1.493 1.00 0.00 C ATOM 358 CG MET A 101 0.565 -5.958 1.173 1.00 0.00 C ATOM 359 SD MET A 101 0.357 -6.442 -0.551 1.00 0.00 S ATOM 360 CE MET A 101 2.027 -6.933 -0.964 1.00 0.00 C ATOM 0 H MET A 101 -2.529 -4.098 1.051 1.00 0.00 H new ATOM 0 HA MET A 101 -1.078 -5.621 3.099 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.479 -4.189 0.575 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.696 -3.933 1.851 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.629 -5.912 1.406 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.131 -6.724 1.815 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.422 -6.268 -1.732 1.00 0.00 H new ATOM 0 HE2 MET A 101 2.654 -6.873 -0.075 1.00 0.00 H new ATOM 0 HE3 MET A 101 2.023 -7.957 -1.337 1.00 0.00 H new ATOM 370 N ARG A 102 -1.037 -3.812 4.783 1.00 0.00 N ATOM 371 CA ARG A 102 -0.990 -2.773 5.795 1.00 0.00 C ATOM 372 C ARG A 102 0.453 -2.410 6.129 1.00 0.00 C ATOM 373 O ARG A 102 1.143 -3.149 6.830 1.00 0.00 O ATOM 374 CB ARG A 102 -1.731 -3.228 7.053 1.00 0.00 C ATOM 375 CG ARG A 102 -1.630 -4.719 7.327 1.00 0.00 C ATOM 376 CD ARG A 102 -0.712 -5.005 8.507 1.00 0.00 C ATOM 377 NE ARG A 102 -1.434 -5.620 9.618 1.00 0.00 N ATOM 378 CZ ARG A 102 -1.792 -4.969 10.724 1.00 0.00 C ATOM 379 NH1 ARG A 102 -1.511 -3.679 10.858 1.00 0.00 N ATOM 380 NH2 ARG A 102 -2.446 -5.603 11.688 1.00 0.00 N ATOM 0 H ARG A 102 -1.021 -4.763 5.151 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.482 -1.884 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.336 -2.684 7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.783 -2.957 6.960 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.622 -5.121 7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.255 -5.229 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.095 -5.665 8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.251 -4.076 8.843 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.679 -6.607 9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.020 -3.184 10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.786 -3.183 11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.676 -6.591 11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.719 -5.102 12.534 1.00 0.00 H new ATOM 394 N ALA A 103 0.915 -1.288 5.603 1.00 0.00 N ATOM 395 CA ALA A 103 2.248 -0.798 5.916 1.00 0.00 C ATOM 396 C ALA A 103 2.250 -0.116 7.275 1.00 0.00 C ATOM 397 O ALA A 103 3.211 -0.210 8.035 1.00 0.00 O ATOM 398 CB ALA A 103 2.726 0.164 4.839 1.00 0.00 C ATOM 0 H ALA A 103 0.388 -0.699 4.958 1.00 0.00 H new ATOM 0 HA ALA A 103 2.933 -1.645 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.725 0.522 5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.754 -0.350 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.042 1.011 4.778 1.00 0.00 H new ATOM 404 N GLN A 104 1.147 0.552 7.578 1.00 0.00 N ATOM 405 CA GLN A 104 1.001 1.277 8.830 1.00 0.00 C ATOM 406 C GLN A 104 -0.466 1.269 9.250 1.00 0.00 C ATOM 407 O GLN A 104 -1.101 0.216 9.277 1.00 0.00 O ATOM 408 CB GLN A 104 1.499 2.719 8.674 1.00 0.00 C ATOM 409 CG GLN A 104 3.013 2.849 8.682 1.00 0.00 C ATOM 410 CD GLN A 104 3.482 4.217 9.135 1.00 0.00 C ATOM 411 OE1 GLN A 104 2.704 5.171 9.188 1.00 0.00 O ATOM 412 NE2 GLN A 104 4.757 4.321 9.470 1.00 0.00 N ATOM 0 H GLN A 104 0.333 0.606 6.966 1.00 0.00 H new ATOM 0 HA GLN A 104 1.600 0.789 9.599 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.113 3.128 7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.087 3.325 9.481 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.435 2.089 9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.395 2.652 7.680 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.368 3.506 9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.130 5.216 9.787 1.00 0.00 H new ATOM 421 N GLY A 105 -1.006 2.447 9.549 1.00 0.00 N ATOM 422 CA GLY A 105 -2.429 2.564 9.811 1.00 0.00 C ATOM 423 C GLY A 105 -3.190 2.878 8.541 1.00 0.00 C ATOM 424 O GLY A 105 -4.378 3.201 8.570 1.00 0.00 O ATOM 0 H GLY A 105 -0.484 3.321 9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.801 1.634 10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.604 3.349 10.547 1.00 0.00 H new ATOM 428 N ASN A 106 -2.486 2.782 7.424 1.00 0.00 N ATOM 429 CA ASN A 106 -3.065 3.046 6.118 1.00 0.00 C ATOM 430 C ASN A 106 -2.958 1.804 5.245 1.00 0.00 C ATOM 431 O ASN A 106 -1.962 1.076 5.315 1.00 0.00 O ATOM 432 CB ASN A 106 -2.359 4.223 5.440 1.00 0.00 C ATOM 433 CG ASN A 106 -3.227 4.868 4.382 1.00 0.00 C ATOM 434 OD1 ASN A 106 -4.438 4.994 4.555 1.00 0.00 O ATOM 435 ND2 ASN A 106 -2.620 5.275 3.278 1.00 0.00 N ATOM 0 H ASN A 106 -1.501 2.520 7.398 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.116 3.305 6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.089 4.966 6.191 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.430 3.877 4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.160 5.712 2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.613 5.151 3.175 1.00 0.00 H new ATOM 442 N VAL A 107 -3.967 1.566 4.420 1.00 0.00 N ATOM 443 CA VAL A 107 -4.035 0.335 3.642 1.00 0.00 C ATOM 444 C VAL A 107 -3.902 0.586 2.144 1.00 0.00 C ATOM 445 O VAL A 107 -4.418 1.572 1.611 1.00 0.00 O ATOM 446 CB VAL A 107 -5.349 -0.437 3.899 1.00 0.00 C ATOM 447 CG1 VAL A 107 -5.231 -1.301 5.146 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.527 0.519 4.020 1.00 0.00 C ATOM 0 H VAL A 107 -4.748 2.205 4.271 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.189 -0.266 3.976 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.528 -1.090 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.167 -1.836 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.421 -2.019 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.020 -0.668 6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.440 -0.049 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.356 1.204 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.631 1.088 3.096 1.00 0.00 H new ATOM 458 N TYR A 108 -3.182 -0.308 1.487 1.00 0.00 N ATOM 459 CA TYR A 108 -3.080 -0.325 0.038 1.00 0.00 C ATOM 460 C TYR A 108 -3.334 -1.749 -0.442 1.00 0.00 C ATOM 461 O TYR A 108 -3.220 -2.687 0.340 1.00 0.00 O ATOM 462 CB TYR A 108 -1.692 0.137 -0.425 1.00 0.00 C ATOM 463 CG TYR A 108 -1.211 1.427 0.218 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.541 2.665 -0.321 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.423 1.403 1.367 1.00 0.00 C ATOM 466 CE1 TYR A 108 -1.101 3.842 0.261 1.00 0.00 C ATOM 467 CE2 TYR A 108 0.021 2.575 1.955 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.321 3.792 1.401 1.00 0.00 C ATOM 469 OH TYR A 108 0.116 4.962 1.991 1.00 0.00 O ATOM 0 H TYR A 108 -2.649 -1.046 1.947 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.816 0.360 -0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.970 -0.652 -0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.709 0.269 -1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.152 2.710 -1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.154 0.454 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.366 4.794 -0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.633 2.537 2.844 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.395 5.719 1.635 1.00 0.00 H new ATOM 479 N HIS A 109 -3.672 -1.925 -1.705 1.00 0.00 N ATOM 480 CA HIS A 109 -3.961 -3.259 -2.219 1.00 0.00 C ATOM 481 C HIS A 109 -2.678 -3.983 -2.595 1.00 0.00 C ATOM 482 O HIS A 109 -1.606 -3.389 -2.626 1.00 0.00 O ATOM 483 CB HIS A 109 -4.871 -3.178 -3.440 1.00 0.00 C ATOM 484 CG HIS A 109 -6.319 -2.981 -3.107 1.00 0.00 C ATOM 485 ND1 HIS A 109 -6.980 -1.820 -3.414 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.189 -3.835 -2.509 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.224 -1.977 -3.001 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.402 -3.186 -2.437 1.00 0.00 N ATOM 0 H HIS A 109 -3.754 -1.174 -2.390 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.466 -3.816 -1.430 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.539 -2.356 -4.074 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.764 -4.093 -4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.972 -4.833 -2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -8.999 -1.232 -3.103 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.266 -3.550 -2.035 1.00 0.00 H new ATOM 496 N LEU A 110 -2.795 -5.271 -2.888 1.00 0.00 N ATOM 497 CA LEU A 110 -1.660 -6.051 -3.369 1.00 0.00 C ATOM 498 C LEU A 110 -1.242 -5.561 -4.754 1.00 0.00 C ATOM 499 O LEU A 110 -0.073 -5.632 -5.131 1.00 0.00 O ATOM 500 CB LEU A 110 -2.027 -7.540 -3.410 1.00 0.00 C ATOM 501 CG LEU A 110 -1.164 -8.410 -4.331 1.00 0.00 C ATOM 502 CD1 LEU A 110 0.027 -8.978 -3.580 1.00 0.00 C ATOM 503 CD2 LEU A 110 -1.990 -9.534 -4.933 1.00 0.00 C ATOM 0 H LEU A 110 -3.664 -5.799 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.820 -5.921 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.963 -7.939 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.067 -7.631 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.792 -7.779 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.624 -9.592 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.638 -8.161 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.325 -9.590 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.360 -10.140 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.393 -10.157 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.811 -9.112 -5.513 1.00 0.00 H new ATOM 515 N LYS A 111 -2.212 -5.048 -5.495 1.00 0.00 N ATOM 516 CA LYS A 111 -1.963 -4.497 -6.825 1.00 0.00 C ATOM 517 C LYS A 111 -1.615 -3.015 -6.731 1.00 0.00 C ATOM 518 O LYS A 111 -1.161 -2.409 -7.701 1.00 0.00 O ATOM 519 CB LYS A 111 -3.194 -4.686 -7.715 1.00 0.00 C ATOM 520 CG LYS A 111 -4.504 -4.676 -6.941 1.00 0.00 C ATOM 521 CD LYS A 111 -5.707 -4.621 -7.868 1.00 0.00 C ATOM 522 CE LYS A 111 -6.961 -4.175 -7.130 1.00 0.00 C ATOM 523 NZ LYS A 111 -8.110 -5.090 -7.369 1.00 0.00 N ATOM 0 H LYS A 111 -3.187 -5.000 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.120 -5.029 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.217 -3.895 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.104 -5.631 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.565 -5.569 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.523 -3.818 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.503 -3.934 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.873 -5.604 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.753 -4.127 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.229 -3.168 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.451 -5.464 -6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.877 -4.568 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.806 -5.878 -7.975 1.00 0.00 H new ATOM 537 N CYS A 112 -1.820 -2.447 -5.553 1.00 0.00 N ATOM 538 CA CYS A 112 -1.613 -1.028 -5.332 1.00 0.00 C ATOM 539 C CYS A 112 -0.369 -0.781 -4.479 1.00 0.00 C ATOM 540 O CYS A 112 -0.015 0.361 -4.188 1.00 0.00 O ATOM 541 CB CYS A 112 -2.864 -0.442 -4.675 1.00 0.00 C ATOM 542 SG CYS A 112 -4.400 -0.868 -5.565 1.00 0.00 S ATOM 0 H CYS A 112 -2.134 -2.956 -4.727 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.445 -0.532 -6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.932 -0.803 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.768 0.643 -4.625 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.334 -1.153 -4.707 1.00 0.00 H new ATOM 547 N PHE A 113 0.299 -1.863 -4.095 1.00 0.00 N ATOM 548 CA PHE A 113 1.525 -1.769 -3.314 1.00 0.00 C ATOM 549 C PHE A 113 2.729 -1.592 -4.237 1.00 0.00 C ATOM 550 O PHE A 113 3.648 -2.415 -4.259 1.00 0.00 O ATOM 551 CB PHE A 113 1.694 -3.016 -2.439 1.00 0.00 C ATOM 552 CG PHE A 113 2.158 -2.717 -1.036 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.838 -1.517 -0.418 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.926 -3.637 -0.337 1.00 0.00 C ATOM 555 CE1 PHE A 113 2.275 -1.241 0.866 1.00 0.00 C ATOM 556 CE2 PHE A 113 3.363 -3.368 0.947 1.00 0.00 C ATOM 557 CZ PHE A 113 3.039 -2.168 1.548 1.00 0.00 C ATOM 0 H PHE A 113 0.011 -2.817 -4.313 1.00 0.00 H new ATOM 0 HA PHE A 113 1.460 -0.897 -2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.743 -3.547 -2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.410 -3.687 -2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.240 -0.789 -0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.186 -4.576 -0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 113 2.019 -0.302 1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.957 -4.096 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.382 -1.954 2.549 1.00 0.00 H new ATOM 567 N THR A 114 2.705 -0.516 -5.004 1.00 0.00 N ATOM 568 CA THR A 114 3.782 -0.199 -5.921 1.00 0.00 C ATOM 569 C THR A 114 4.485 1.082 -5.485 1.00 0.00 C ATOM 570 O THR A 114 3.889 1.920 -4.801 1.00 0.00 O ATOM 571 CB THR A 114 3.247 -0.019 -7.356 1.00 0.00 C ATOM 572 OG1 THR A 114 1.972 0.642 -7.333 1.00 0.00 O ATOM 573 CG2 THR A 114 3.108 -1.362 -8.058 1.00 0.00 C ATOM 0 H THR A 114 1.941 0.159 -5.008 1.00 0.00 H new ATOM 0 HA THR A 114 4.489 -1.029 -5.907 1.00 0.00 H new ATOM 0 HB THR A 114 3.963 0.592 -7.906 1.00 0.00 H new ATOM 0 HG1 THR A 114 1.380 0.235 -8.000 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.729 -1.207 -9.068 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.082 -1.850 -8.107 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.414 -1.993 -7.503 1.00 0.00 H new ATOM 581 N CYS A 115 5.741 1.245 -5.876 1.00 0.00 N ATOM 582 CA CYS A 115 6.474 2.454 -5.547 1.00 0.00 C ATOM 583 C CYS A 115 5.908 3.645 -6.310 1.00 0.00 C ATOM 584 O CYS A 115 5.319 3.494 -7.388 1.00 0.00 O ATOM 585 CB CYS A 115 7.964 2.293 -5.838 1.00 0.00 C ATOM 586 SG CYS A 115 8.400 2.278 -7.599 1.00 0.00 S ATOM 0 H CYS A 115 6.268 0.560 -6.417 1.00 0.00 H new ATOM 0 HA CYS A 115 6.358 2.636 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.504 3.105 -5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.310 1.364 -5.385 1.00 0.00 H new ATOM 0 HG CYS A 115 9.549 1.691 -7.757 1.00 0.00 H new ATOM 591 N SER A 116 6.079 4.824 -5.748 1.00 0.00 N ATOM 592 CA SER A 116 5.533 6.036 -6.333 1.00 0.00 C ATOM 593 C SER A 116 6.500 6.655 -7.344 1.00 0.00 C ATOM 594 O SER A 116 6.263 7.757 -7.847 1.00 0.00 O ATOM 595 CB SER A 116 5.201 7.040 -5.221 1.00 0.00 C ATOM 596 OG SER A 116 5.312 6.440 -3.936 1.00 0.00 O ATOM 0 H SER A 116 6.595 4.971 -4.881 1.00 0.00 H new ATOM 0 HA SER A 116 4.621 5.777 -6.871 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.875 7.894 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.189 7.421 -5.361 1.00 0.00 H new ATOM 0 HG SER A 116 5.097 7.102 -3.246 1.00 0.00 H new ATOM 602 N THR A 117 7.583 5.948 -7.650 1.00 0.00 N ATOM 603 CA THR A 117 8.599 6.482 -8.549 1.00 0.00 C ATOM 604 C THR A 117 8.682 5.705 -9.864 1.00 0.00 C ATOM 605 O THR A 117 8.624 6.299 -10.942 1.00 0.00 O ATOM 606 CB THR A 117 9.980 6.495 -7.872 1.00 0.00 C ATOM 607 OG1 THR A 117 9.831 6.286 -6.462 1.00 0.00 O ATOM 608 CG2 THR A 117 10.697 7.814 -8.121 1.00 0.00 C ATOM 0 H THR A 117 7.779 5.013 -7.293 1.00 0.00 H new ATOM 0 HA THR A 117 8.298 7.503 -8.782 1.00 0.00 H new ATOM 0 HB THR A 117 10.579 5.691 -8.301 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.109 5.374 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 117 11.671 7.797 -7.632 1.00 0.00 H new ATOM 0 HG22 THR A 117 10.832 7.958 -9.193 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.102 8.633 -7.717 1.00 0.00 H new ATOM 616 N CYS A 118 8.797 4.383 -9.787 1.00 0.00 N ATOM 617 CA CYS A 118 8.946 3.573 -10.991 1.00 0.00 C ATOM 618 C CYS A 118 7.753 2.646 -11.192 1.00 0.00 C ATOM 619 O CYS A 118 7.669 1.941 -12.201 1.00 0.00 O ATOM 620 CB CYS A 118 10.235 2.741 -10.934 1.00 0.00 C ATOM 621 SG CYS A 118 11.426 3.255 -9.653 1.00 0.00 S ATOM 0 H CYS A 118 8.790 3.855 -8.915 1.00 0.00 H new ATOM 0 HA CYS A 118 8.998 4.260 -11.835 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.969 1.698 -10.764 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.725 2.791 -11.906 1.00 0.00 H new ATOM 0 HG CYS A 118 11.559 2.304 -8.777 1.00 0.00 H new ATOM 626 N ARG A 119 6.843 2.654 -10.219 1.00 0.00 N ATOM 627 CA ARG A 119 5.674 1.782 -10.224 1.00 0.00 C ATOM 628 C ARG A 119 6.105 0.328 -10.087 1.00 0.00 C ATOM 629 O ARG A 119 5.471 -0.582 -10.624 1.00 0.00 O ATOM 630 CB ARG A 119 4.833 1.978 -11.490 1.00 0.00 C ATOM 631 CG ARG A 119 3.382 2.348 -11.210 1.00 0.00 C ATOM 632 CD ARG A 119 2.522 1.121 -10.918 1.00 0.00 C ATOM 633 NE ARG A 119 3.011 -0.078 -11.600 1.00 0.00 N ATOM 634 CZ ARG A 119 2.308 -0.770 -12.501 1.00 0.00 C ATOM 635 NH1 ARG A 119 1.069 -0.404 -12.809 1.00 0.00 N ATOM 636 NH2 ARG A 119 2.843 -1.841 -13.080 1.00 0.00 N ATOM 0 H ARG A 119 6.897 3.267 -9.405 1.00 0.00 H new ATOM 0 HA ARG A 119 5.050 2.049 -9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.287 2.759 -12.100 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.858 1.060 -12.078 1.00 0.00 H new ATOM 0 HG2 ARG A 119 3.340 3.030 -10.361 1.00 0.00 H new ATOM 0 HG3 ARG A 119 2.972 2.881 -12.068 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.503 0.942 -9.843 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.495 1.318 -11.227 1.00 0.00 H new ATOM 0 HE ARG A 119 3.949 -0.407 -11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.650 0.409 -12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.536 -0.936 -13.498 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.789 -2.133 -12.836 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.307 -2.370 -13.768 1.00 0.00 H new ATOM 650 N ASN A 120 7.196 0.120 -9.369 1.00 0.00 N ATOM 651 CA ASN A 120 7.699 -1.215 -9.118 1.00 0.00 C ATOM 652 C ASN A 120 6.891 -1.856 -8.000 1.00 0.00 C ATOM 653 O ASN A 120 6.757 -1.283 -6.918 1.00 0.00 O ATOM 654 CB ASN A 120 9.179 -1.142 -8.744 1.00 0.00 C ATOM 655 CG ASN A 120 9.871 -2.493 -8.744 1.00 0.00 C ATOM 656 OD1 ASN A 120 9.411 -3.456 -9.365 1.00 0.00 O ATOM 657 ND2 ASN A 120 10.996 -2.560 -8.053 1.00 0.00 N ATOM 0 H ASN A 120 7.751 0.865 -8.949 1.00 0.00 H new ATOM 0 HA ASN A 120 7.599 -1.825 -10.016 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.690 -0.481 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.274 -0.694 -7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.522 -3.433 -8.018 1.00 0.00 H new ATOM 0 HD22 ASN A 120 11.338 -1.738 -7.555 1.00 0.00 H new ATOM 664 N ARG A 121 6.317 -3.019 -8.275 1.00 0.00 N ATOM 665 CA ARG A 121 5.497 -3.706 -7.293 1.00 0.00 C ATOM 666 C ARG A 121 6.371 -4.428 -6.274 1.00 0.00 C ATOM 667 O ARG A 121 7.184 -5.281 -6.634 1.00 0.00 O ATOM 668 CB ARG A 121 4.547 -4.696 -7.975 1.00 0.00 C ATOM 669 CG ARG A 121 3.247 -4.908 -7.214 1.00 0.00 C ATOM 670 CD ARG A 121 2.686 -6.303 -7.437 1.00 0.00 C ATOM 671 NE ARG A 121 3.714 -7.332 -7.306 1.00 0.00 N ATOM 672 CZ ARG A 121 3.465 -8.601 -7.006 1.00 0.00 C ATOM 673 NH1 ARG A 121 2.216 -9.018 -6.833 1.00 0.00 N ATOM 674 NH2 ARG A 121 4.474 -9.454 -6.903 1.00 0.00 N ATOM 0 H ARG A 121 6.405 -3.504 -9.168 1.00 0.00 H new ATOM 0 HA ARG A 121 4.899 -2.960 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.318 -4.336 -8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.053 -5.655 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.419 -4.751 -6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.514 -4.166 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.889 -6.493 -6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.240 -6.360 -8.430 1.00 0.00 H new ATOM 0 HE ARG A 121 4.685 -7.058 -7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.441 -8.362 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.032 -9.994 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.430 -9.133 -7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.294 -10.431 -6.673 1.00 0.00 H new ATOM 688 N LEU A 122 6.196 -4.083 -5.007 1.00 0.00 N ATOM 689 CA LEU A 122 6.965 -4.696 -3.931 1.00 0.00 C ATOM 690 C LEU A 122 6.545 -6.151 -3.746 1.00 0.00 C ATOM 691 O LEU A 122 5.478 -6.557 -4.211 1.00 0.00 O ATOM 692 CB LEU A 122 6.768 -3.907 -2.633 1.00 0.00 C ATOM 693 CG LEU A 122 6.604 -2.395 -2.825 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.900 -1.773 -1.630 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.950 -1.720 -3.062 1.00 0.00 C ATOM 0 H LEU A 122 5.526 -3.379 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 122 8.023 -4.676 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.888 -4.292 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.622 -4.087 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 122 5.987 -2.238 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.794 -0.700 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.913 -2.222 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.487 -1.951 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.801 -0.648 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.600 -1.893 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.413 -2.136 -3.957 1.00 0.00 H new ATOM 707 N VAL A 123 7.380 -6.940 -3.079 1.00 0.00 N ATOM 708 CA VAL A 123 7.120 -8.365 -2.953 1.00 0.00 C ATOM 709 C VAL A 123 7.199 -8.799 -1.497 1.00 0.00 C ATOM 710 O VAL A 123 8.168 -8.484 -0.806 1.00 0.00 O ATOM 711 CB VAL A 123 8.133 -9.193 -3.785 1.00 0.00 C ATOM 712 CG1 VAL A 123 7.956 -10.687 -3.543 1.00 0.00 C ATOM 713 CG2 VAL A 123 7.999 -8.875 -5.267 1.00 0.00 C ATOM 0 H VAL A 123 8.234 -6.619 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 123 6.115 -8.548 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 123 9.136 -8.915 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.680 -11.241 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.114 -10.906 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.947 -10.985 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 123 8.719 -9.467 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 123 6.990 -9.115 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 123 8.192 -7.815 -5.431 1.00 0.00 H new ATOM 723 N PRO A 124 6.182 -9.530 -1.013 1.00 0.00 N ATOM 724 CA PRO A 124 6.194 -10.102 0.333 1.00 0.00 C ATOM 725 C PRO A 124 7.345 -11.088 0.492 1.00 0.00 C ATOM 726 O PRO A 124 7.358 -12.158 -0.122 1.00 0.00 O ATOM 727 CB PRO A 124 4.841 -10.818 0.447 1.00 0.00 C ATOM 728 CG PRO A 124 3.992 -10.214 -0.618 1.00 0.00 C ATOM 729 CD PRO A 124 4.932 -9.837 -1.726 1.00 0.00 C ATOM 0 HA PRO A 124 6.334 -9.348 1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 124 4.950 -11.893 0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.400 -10.673 1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.240 -10.922 -0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.458 -9.340 -0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.064 -10.652 -2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.568 -8.978 -2.289 1.00 0.00 H new ATOM 737 N GLY A 125 8.317 -10.713 1.303 1.00 0.00 N ATOM 738 CA GLY A 125 9.495 -11.534 1.475 1.00 0.00 C ATOM 739 C GLY A 125 10.740 -10.828 0.985 1.00 0.00 C ATOM 740 O GLY A 125 11.863 -11.196 1.345 1.00 0.00 O ATOM 0 H GLY A 125 8.312 -9.851 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.611 -11.789 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.369 -12.471 0.932 1.00 0.00 H new ATOM 744 N ASP A 126 10.541 -9.806 0.159 1.00 0.00 N ATOM 745 CA ASP A 126 11.649 -9.006 -0.348 1.00 0.00 C ATOM 746 C ASP A 126 11.574 -7.592 0.219 1.00 0.00 C ATOM 747 O ASP A 126 10.779 -7.323 1.120 1.00 0.00 O ATOM 748 CB ASP A 126 11.662 -8.971 -1.880 1.00 0.00 C ATOM 749 CG ASP A 126 13.075 -8.853 -2.430 1.00 0.00 C ATOM 750 OD1 ASP A 126 13.626 -7.731 -2.429 1.00 0.00 O ATOM 751 OD2 ASP A 126 13.645 -9.884 -2.846 1.00 0.00 O ATOM 0 H ASP A 126 9.622 -9.513 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 126 12.579 -9.472 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.195 -9.876 -2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.064 -8.129 -2.229 1.00 0.00 H new ATOM 756 N ARG A 127 12.376 -6.691 -0.323 1.00 0.00 N ATOM 757 CA ARG A 127 12.528 -5.362 0.250 1.00 0.00 C ATOM 758 C ARG A 127 11.536 -4.364 -0.336 1.00 0.00 C ATOM 759 O ARG A 127 11.150 -4.450 -1.505 1.00 0.00 O ATOM 760 CB ARG A 127 13.957 -4.856 0.042 1.00 0.00 C ATOM 761 CG ARG A 127 14.987 -5.541 0.925 1.00 0.00 C ATOM 762 CD ARG A 127 15.565 -6.774 0.248 1.00 0.00 C ATOM 763 NE ARG A 127 16.857 -6.496 -0.373 1.00 0.00 N ATOM 764 CZ ARG A 127 17.068 -6.449 -1.687 1.00 0.00 C ATOM 765 NH1 ARG A 127 16.090 -6.724 -2.547 1.00 0.00 N ATOM 766 NH2 ARG A 127 18.274 -6.153 -2.147 1.00 0.00 N ATOM 0 H ARG A 127 12.934 -6.855 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 127 12.320 -5.446 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.235 -5.000 -1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.984 -3.783 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.790 -4.842 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.526 -5.826 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.679 -7.572 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 127 14.868 -7.134 -0.509 1.00 0.00 H new ATOM 0 HE ARG A 127 17.653 -6.326 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.163 -6.975 -2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.267 -6.684 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 127 19.036 -5.962 -1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 127 18.441 -6.116 -3.152 1.00 0.00 H new ATOM 780 N PHE A 128 11.130 -3.429 0.506 1.00 0.00 N ATOM 781 CA PHE A 128 10.266 -2.328 0.122 1.00 0.00 C ATOM 782 C PHE A 128 10.667 -1.094 0.923 1.00 0.00 C ATOM 783 O PHE A 128 11.323 -1.214 1.961 1.00 0.00 O ATOM 784 CB PHE A 128 8.789 -2.697 0.353 1.00 0.00 C ATOM 785 CG PHE A 128 8.188 -2.168 1.629 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.589 -2.659 2.865 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.217 -1.178 1.592 1.00 0.00 C ATOM 788 CE1 PHE A 128 8.033 -2.172 4.029 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.657 -0.690 2.755 1.00 0.00 C ATOM 790 CZ PHE A 128 7.067 -1.185 3.975 1.00 0.00 C ATOM 0 H PHE A 128 11.396 -3.414 1.491 1.00 0.00 H new ATOM 0 HA PHE A 128 10.380 -2.114 -0.941 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.203 -2.326 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 128 8.698 -3.783 0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 128 9.344 -3.430 2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 128 6.895 -0.784 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 128 8.353 -2.562 4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.899 0.078 2.710 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.634 -0.802 4.887 1.00 0.00 H new ATOM 800 N HIS A 129 10.302 0.086 0.452 1.00 0.00 N ATOM 801 CA HIS A 129 10.681 1.310 1.142 1.00 0.00 C ATOM 802 C HIS A 129 9.470 2.178 1.430 1.00 0.00 C ATOM 803 O HIS A 129 8.726 2.552 0.524 1.00 0.00 O ATOM 804 CB HIS A 129 11.697 2.097 0.310 1.00 0.00 C ATOM 805 CG HIS A 129 13.124 1.766 0.627 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.816 2.435 1.609 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.932 0.829 0.076 1.00 0.00 C ATOM 808 CE1 HIS A 129 15.017 1.889 1.640 1.00 0.00 C ATOM 809 NE2 HIS A 129 15.137 0.911 0.727 1.00 0.00 N ATOM 0 H HIS A 129 9.750 0.224 -0.395 1.00 0.00 H new ATOM 0 HA HIS A 129 11.134 1.029 2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.515 1.903 -0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.537 3.163 0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.677 0.148 -0.722 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.805 2.191 2.315 1.00 0.00 H new ATOM 0 HE2 HIS A 129 15.964 0.340 0.552 1.00 0.00 H new ATOM 817 N TYR A 130 9.264 2.483 2.698 1.00 0.00 N ATOM 818 CA TYR A 130 8.234 3.413 3.103 1.00 0.00 C ATOM 819 C TYR A 130 8.875 4.511 3.941 1.00 0.00 C ATOM 820 O TYR A 130 9.166 4.316 5.118 1.00 0.00 O ATOM 821 CB TYR A 130 7.146 2.690 3.908 1.00 0.00 C ATOM 822 CG TYR A 130 5.801 3.390 3.907 1.00 0.00 C ATOM 823 CD1 TYR A 130 5.004 3.425 2.769 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.327 4.016 5.054 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.775 4.061 2.775 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.102 4.653 5.066 1.00 0.00 C ATOM 827 CZ TYR A 130 3.332 4.674 3.927 1.00 0.00 C ATOM 828 OH TYR A 130 2.112 5.310 3.947 1.00 0.00 O ATOM 0 H TYR A 130 9.805 2.094 3.470 1.00 0.00 H new ATOM 0 HA TYR A 130 7.763 3.849 2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.020 1.685 3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.485 2.580 4.938 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.350 2.947 1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.927 4.004 5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.167 4.077 1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.750 5.133 5.967 1.00 0.00 H new ATOM 0 HH TYR A 130 1.587 5.035 3.167 1.00 0.00 H new ATOM 838 N ILE A 131 9.103 5.660 3.333 1.00 0.00 N ATOM 839 CA ILE A 131 9.769 6.757 4.015 1.00 0.00 C ATOM 840 C ILE A 131 8.912 8.011 3.967 1.00 0.00 C ATOM 841 O ILE A 131 8.494 8.440 2.893 1.00 0.00 O ATOM 842 CB ILE A 131 11.160 7.043 3.399 1.00 0.00 C ATOM 843 CG1 ILE A 131 12.125 5.899 3.717 1.00 0.00 C ATOM 844 CG2 ILE A 131 11.723 8.363 3.910 1.00 0.00 C ATOM 845 CD1 ILE A 131 13.131 5.632 2.622 1.00 0.00 C ATOM 0 H ILE A 131 8.837 5.859 2.369 1.00 0.00 H new ATOM 0 HA ILE A 131 9.912 6.462 5.055 1.00 0.00 H new ATOM 0 HB ILE A 131 11.043 7.119 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 131 12.658 6.130 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 131 11.551 4.991 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 131 12.701 8.539 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.048 9.175 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.824 8.320 4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 131 13.781 4.809 2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 131 12.607 5.369 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 131 13.732 6.526 2.454 1.00 0.00 H new ATOM 857 N ASN A 132 8.621 8.560 5.147 1.00 0.00 N ATOM 858 CA ASN A 132 7.828 9.782 5.275 1.00 0.00 C ATOM 859 C ASN A 132 6.433 9.587 4.694 1.00 0.00 C ATOM 860 O ASN A 132 5.799 10.530 4.218 1.00 0.00 O ATOM 861 CB ASN A 132 8.541 10.956 4.597 1.00 0.00 C ATOM 862 CG ASN A 132 8.493 12.223 5.428 1.00 0.00 C ATOM 863 OD1 ASN A 132 7.758 13.160 5.115 1.00 0.00 O ATOM 864 ND2 ASN A 132 9.279 12.265 6.495 1.00 0.00 N ATOM 0 H ASN A 132 8.928 8.171 6.039 1.00 0.00 H new ATOM 0 HA ASN A 132 7.721 10.011 6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.581 10.687 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.082 11.144 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 132 9.289 13.094 7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.874 11.468 6.722 1.00 0.00 H new ATOM 871 N GLY A 133 5.955 8.350 4.752 1.00 0.00 N ATOM 872 CA GLY A 133 4.647 8.035 4.222 1.00 0.00 C ATOM 873 C GLY A 133 4.631 7.980 2.706 1.00 0.00 C ATOM 874 O GLY A 133 3.644 8.366 2.077 1.00 0.00 O ATOM 0 H GLY A 133 6.454 7.559 5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 133 4.319 7.075 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 133 3.931 8.783 4.563 1.00 0.00 H new ATOM 878 N SER A 134 5.722 7.504 2.114 1.00 0.00 N ATOM 879 CA SER A 134 5.817 7.392 0.665 1.00 0.00 C ATOM 880 C SER A 134 6.449 6.058 0.284 1.00 0.00 C ATOM 881 O SER A 134 7.314 5.549 1.000 1.00 0.00 O ATOM 882 CB SER A 134 6.632 8.555 0.096 1.00 0.00 C ATOM 883 OG SER A 134 6.135 9.796 0.565 1.00 0.00 O ATOM 0 H SER A 134 6.552 7.190 2.617 1.00 0.00 H new ATOM 0 HA SER A 134 4.814 7.435 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.678 8.446 0.382 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.595 8.532 -0.993 1.00 0.00 H new ATOM 0 HG SER A 134 6.671 10.526 0.190 1.00 0.00 H new ATOM 889 N LEU A 135 6.018 5.495 -0.837 1.00 0.00 N ATOM 890 CA LEU A 135 6.456 4.165 -1.237 1.00 0.00 C ATOM 891 C LEU A 135 7.575 4.227 -2.263 1.00 0.00 C ATOM 892 O LEU A 135 7.492 4.949 -3.261 1.00 0.00 O ATOM 893 CB LEU A 135 5.285 3.365 -1.807 1.00 0.00 C ATOM 894 CG LEU A 135 4.250 2.904 -0.782 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.851 2.975 -1.376 1.00 0.00 C ATOM 896 CD2 LEU A 135 4.564 1.492 -0.309 1.00 0.00 C ATOM 0 H LEU A 135 5.366 5.938 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 135 6.837 3.668 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.782 3.974 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.681 2.488 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 135 4.291 3.570 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.124 2.644 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.631 4.002 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.795 2.330 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 135 3.818 1.178 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.548 0.811 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.552 1.474 0.152 1.00 0.00 H new ATOM 908 N PHE A 136 8.627 3.475 -1.989 1.00 0.00 N ATOM 909 CA PHE A 136 9.725 3.285 -2.920 1.00 0.00 C ATOM 910 C PHE A 136 10.013 1.795 -3.031 1.00 0.00 C ATOM 911 O PHE A 136 9.586 1.013 -2.177 1.00 0.00 O ATOM 912 CB PHE A 136 10.988 4.031 -2.464 1.00 0.00 C ATOM 913 CG PHE A 136 10.754 5.466 -2.091 1.00 0.00 C ATOM 914 CD1 PHE A 136 10.559 6.428 -3.066 1.00 0.00 C ATOM 915 CD2 PHE A 136 10.725 5.851 -0.761 1.00 0.00 C ATOM 916 CE1 PHE A 136 10.340 7.751 -2.721 1.00 0.00 C ATOM 917 CE2 PHE A 136 10.506 7.168 -0.409 1.00 0.00 C ATOM 918 CZ PHE A 136 10.312 8.120 -1.389 1.00 0.00 C ATOM 0 H PHE A 136 8.744 2.975 -1.107 1.00 0.00 H new ATOM 0 HA PHE A 136 9.439 3.692 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.415 3.510 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.728 3.991 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 136 10.578 6.144 -4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.876 5.111 0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.191 8.493 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 136 10.487 7.453 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 136 10.139 9.151 -1.116 1.00 0.00 H new ATOM 928 N CYS A 137 10.737 1.400 -4.065 1.00 0.00 N ATOM 929 CA CYS A 137 10.982 -0.006 -4.309 1.00 0.00 C ATOM 930 C CYS A 137 12.421 -0.388 -3.966 1.00 0.00 C ATOM 931 O CYS A 137 13.188 0.424 -3.435 1.00 0.00 O ATOM 932 CB CYS A 137 10.677 -0.341 -5.770 1.00 0.00 C ATOM 933 SG CYS A 137 11.752 0.502 -6.976 1.00 0.00 S ATOM 0 H CYS A 137 11.162 2.031 -4.744 1.00 0.00 H new ATOM 0 HA CYS A 137 10.322 -0.584 -3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 137 10.769 -1.418 -5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.640 -0.080 -5.981 1.00 0.00 H new ATOM 0 HG CYS A 137 11.590 1.788 -6.877 1.00 0.00 H new ATOM 938 N GLU A 138 12.774 -1.629 -4.289 1.00 0.00 N ATOM 939 CA GLU A 138 14.122 -2.139 -4.070 1.00 0.00 C ATOM 940 C GLU A 138 15.065 -1.552 -5.117 1.00 0.00 C ATOM 941 O GLU A 138 16.272 -1.413 -4.891 1.00 0.00 O ATOM 942 CB GLU A 138 14.111 -3.682 -4.119 1.00 0.00 C ATOM 943 CG GLU A 138 14.911 -4.290 -5.267 1.00 0.00 C ATOM 944 CD GLU A 138 14.038 -4.800 -6.398 1.00 0.00 C ATOM 945 OE1 GLU A 138 13.170 -4.045 -6.878 1.00 0.00 O ATOM 946 OE2 GLU A 138 14.237 -5.960 -6.826 1.00 0.00 O ATOM 0 H GLU A 138 12.136 -2.306 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 138 14.478 -1.838 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 138 14.505 -4.064 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 138 13.078 -4.022 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 138 15.600 -3.541 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 138 15.516 -5.112 -4.885 1.00 0.00 H new ATOM 953 N HIS A 139 14.497 -1.200 -6.262 1.00 0.00 N ATOM 954 CA HIS A 139 15.247 -0.561 -7.330 1.00 0.00 C ATOM 955 C HIS A 139 15.453 0.913 -6.999 1.00 0.00 C ATOM 956 O HIS A 139 16.503 1.490 -7.286 1.00 0.00 O ATOM 957 CB HIS A 139 14.499 -0.717 -8.661 1.00 0.00 C ATOM 958 CG HIS A 139 15.377 -0.613 -9.870 1.00 0.00 C ATOM 959 ND1 HIS A 139 16.746 -0.711 -9.778 1.00 0.00 N ATOM 960 CD2 HIS A 139 15.035 -0.434 -11.166 1.00 0.00 C ATOM 961 CE1 HIS A 139 17.200 -0.591 -11.014 1.00 0.00 C ATOM 962 NE2 HIS A 139 16.200 -0.418 -11.888 1.00 0.00 N ATOM 0 H HIS A 139 13.510 -1.349 -6.474 1.00 0.00 H new ATOM 0 HA HIS A 139 16.222 -1.039 -7.425 1.00 0.00 H new ATOM 0 HB2 HIS A 139 13.996 -1.684 -8.672 1.00 0.00 H new ATOM 0 HB3 HIS A 139 13.723 0.046 -8.721 1.00 0.00 H new ATOM 0 HD2 HIS A 139 14.034 -0.325 -11.558 1.00 0.00 H new ATOM 0 HE1 HIS A 139 18.245 -0.628 -11.285 1.00 0.00 H new ATOM 0 HE2 HIS A 139 16.288 -0.297 -12.897 1.00 0.00 H new ATOM 970 N ASP A 140 14.433 1.494 -6.381 1.00 0.00 N ATOM 971 CA ASP A 140 14.452 2.884 -5.944 1.00 0.00 C ATOM 972 C ASP A 140 15.608 3.144 -4.997 1.00 0.00 C ATOM 973 O ASP A 140 16.550 3.858 -5.343 1.00 0.00 O ATOM 974 CB ASP A 140 13.145 3.220 -5.227 1.00 0.00 C ATOM 975 CG ASP A 140 12.273 4.188 -5.992 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.722 5.333 -6.232 1.00 0.00 O ATOM 977 OD2 ASP A 140 11.123 3.819 -6.316 1.00 0.00 O ATOM 0 H ASP A 140 13.561 1.009 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 140 14.570 3.511 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.588 2.300 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.374 3.644 -4.249 1.00 0.00 H new ATOM 982 N ARG A 141 15.519 2.552 -3.802 1.00 0.00 N ATOM 983 CA ARG A 141 16.515 2.735 -2.743 1.00 0.00 C ATOM 984 C ARG A 141 16.935 4.202 -2.619 1.00 0.00 C ATOM 985 O ARG A 141 18.062 4.559 -2.973 1.00 0.00 O ATOM 986 CB ARG A 141 17.743 1.856 -3.005 1.00 0.00 C ATOM 987 CG ARG A 141 18.181 1.013 -1.810 1.00 0.00 C ATOM 988 CD ARG A 141 18.154 1.792 -0.499 1.00 0.00 C ATOM 989 NE ARG A 141 18.998 2.989 -0.530 1.00 0.00 N ATOM 990 CZ ARG A 141 20.310 2.996 -0.281 1.00 0.00 C ATOM 991 NH1 ARG A 141 20.936 1.873 0.047 1.00 0.00 N ATOM 992 NH2 ARG A 141 20.987 4.133 -0.355 1.00 0.00 N ATOM 0 H ARG A 141 14.753 1.931 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 141 16.056 2.434 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 141 17.528 1.193 -3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 141 18.573 2.494 -3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 141 17.529 0.144 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 141 19.190 0.639 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 141 17.127 2.083 -0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 141 18.484 1.142 0.311 1.00 0.00 H new ATOM 0 HE ARG A 141 18.553 3.878 -0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 141 20.415 0.998 0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 141 21.938 1.884 0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 141 20.506 4.998 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 141 21.989 4.143 -0.166 1.00 0.00 H new ATOM 1006 N PRO A 142 16.043 5.064 -2.104 1.00 0.00 N ATOM 1007 CA PRO A 142 16.310 6.499 -1.975 1.00 0.00 C ATOM 1008 C PRO A 142 17.650 6.779 -1.300 1.00 0.00 C ATOM 1009 O PRO A 142 17.909 6.331 -0.182 1.00 0.00 O ATOM 1010 CB PRO A 142 15.146 7.021 -1.120 1.00 0.00 C ATOM 1011 CG PRO A 142 14.451 5.807 -0.600 1.00 0.00 C ATOM 1012 CD PRO A 142 14.709 4.719 -1.600 1.00 0.00 C ATOM 0 HA PRO A 142 16.376 6.986 -2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 142 15.509 7.644 -0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 142 14.469 7.636 -1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 142 14.832 5.531 0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 142 13.382 5.988 -0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 142 14.692 3.731 -1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.963 4.713 -2.395 1.00 0.00 H new ATOM 1020 N THR A 143 18.510 7.495 -2.000 1.00 0.00 N ATOM 1021 CA THR A 143 19.852 7.771 -1.518 1.00 0.00 C ATOM 1022 C THR A 143 19.939 9.139 -0.846 1.00 0.00 C ATOM 1023 O THR A 143 21.019 9.576 -0.443 1.00 0.00 O ATOM 1024 CB THR A 143 20.848 7.709 -2.682 1.00 0.00 C ATOM 1025 OG1 THR A 143 20.169 7.225 -3.849 1.00 0.00 O ATOM 1026 CG2 THR A 143 22.018 6.794 -2.362 1.00 0.00 C ATOM 0 H THR A 143 18.301 7.900 -2.913 1.00 0.00 H new ATOM 0 HA THR A 143 20.100 7.012 -0.776 1.00 0.00 H new ATOM 0 HB THR A 143 21.241 8.711 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 143 20.798 7.183 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 143 22.705 6.773 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 143 22.540 7.165 -1.480 1.00 0.00 H new ATOM 0 HG23 THR A 143 21.650 5.787 -2.168 1.00 0.00 H new ATOM 1034 N ALA A 144 18.802 9.810 -0.728 1.00 0.00 N ATOM 1035 CA ALA A 144 18.755 11.126 -0.103 1.00 0.00 C ATOM 1036 C ALA A 144 18.170 11.037 1.305 1.00 0.00 C ATOM 1037 O ALA A 144 18.847 11.331 2.288 1.00 0.00 O ATOM 1038 CB ALA A 144 17.946 12.088 -0.955 1.00 0.00 C ATOM 0 H ALA A 144 17.900 9.466 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 144 19.774 11.504 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 144 17.920 13.066 -0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 144 18.407 12.179 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.929 11.711 -1.064 1.00 0.00 H new ATOM 1044 N LEU A 145 16.912 10.633 1.399 1.00 0.00 N ATOM 1045 CA LEU A 145 16.257 10.488 2.687 1.00 0.00 C ATOM 1046 C LEU A 145 15.986 9.020 2.977 1.00 0.00 C ATOM 1047 O LEU A 145 15.204 8.374 2.281 1.00 0.00 O ATOM 1048 CB LEU A 145 14.951 11.280 2.715 1.00 0.00 C ATOM 1049 CG LEU A 145 14.879 12.368 3.788 1.00 0.00 C ATOM 1050 CD1 LEU A 145 14.623 13.728 3.154 1.00 0.00 C ATOM 1051 CD2 LEU A 145 13.802 12.036 4.813 1.00 0.00 C ATOM 0 H LEU A 145 16.326 10.400 0.598 1.00 0.00 H new ATOM 0 HA LEU A 145 16.919 10.883 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 145 14.803 11.742 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 145 14.125 10.585 2.867 1.00 0.00 H new ATOM 0 HG LEU A 145 15.838 12.409 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 145 14.575 14.489 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 145 15.432 13.966 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 145 13.678 13.704 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 145 13.765 12.821 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 145 12.835 11.966 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 145 14.035 11.084 5.290 1.00 0.00 H new ATOM 1063 N ILE A 146 16.656 8.497 3.991 1.00 0.00 N ATOM 1064 CA ILE A 146 16.492 7.106 4.389 1.00 0.00 C ATOM 1065 C ILE A 146 16.463 6.997 5.908 1.00 0.00 C ATOM 1066 O ILE A 146 16.959 7.880 6.607 1.00 0.00 O ATOM 1067 CB ILE A 146 17.628 6.200 3.847 1.00 0.00 C ATOM 1068 CG1 ILE A 146 18.751 7.033 3.213 1.00 0.00 C ATOM 1069 CG2 ILE A 146 17.075 5.202 2.843 1.00 0.00 C ATOM 1070 CD1 ILE A 146 20.014 7.082 4.042 1.00 0.00 C ATOM 0 H ILE A 146 17.324 9.019 4.558 1.00 0.00 H new ATOM 0 HA ILE A 146 15.549 6.764 3.962 1.00 0.00 H new ATOM 0 HB ILE A 146 18.052 5.653 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 146 18.987 6.621 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 146 18.392 8.050 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 146 17.884 4.573 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 146 16.323 4.578 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 146 16.620 5.738 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 146 20.762 7.688 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 146 19.794 7.522 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 146 20.398 6.071 4.179 1.00 0.00 H new ATOM 1146 N GLY A 207 16.451 -1.626 3.504 1.00 0.00 N ATOM 1147 CA GLY A 207 15.185 -2.024 2.925 1.00 0.00 C ATOM 1148 C GLY A 207 14.427 -2.977 3.818 1.00 0.00 C ATOM 1149 O GLY A 207 14.913 -4.064 4.125 1.00 0.00 O ATOM 0 HA2 GLY A 207 14.577 -1.139 2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 207 15.361 -2.496 1.958 1.00 0.00 H new ATOM 1153 N SER A 208 13.248 -2.565 4.248 1.00 0.00 N ATOM 1154 CA SER A 208 12.399 -3.409 5.066 1.00 0.00 C ATOM 1155 C SER A 208 11.686 -4.431 4.184 1.00 0.00 C ATOM 1156 O SER A 208 11.663 -4.290 2.966 1.00 0.00 O ATOM 1157 CB SER A 208 11.385 -2.546 5.816 1.00 0.00 C ATOM 1158 OG SER A 208 11.666 -1.162 5.647 1.00 0.00 O ATOM 0 H SER A 208 12.856 -1.646 4.042 1.00 0.00 H new ATOM 0 HA SER A 208 13.009 -3.943 5.795 1.00 0.00 H new ATOM 0 HB2 SER A 208 10.380 -2.763 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.403 -2.797 6.877 1.00 0.00 H new ATOM 0 HG SER A 208 11.002 -0.631 6.135 1.00 0.00 H new ATOM 1164 N ILE A 404 11.117 -5.454 4.791 1.00 0.00 N ATOM 1165 CA ILE A 404 10.414 -6.487 4.043 1.00 0.00 C ATOM 1166 C ILE A 404 8.962 -6.086 3.830 1.00 0.00 C ATOM 1167 O ILE A 404 8.285 -5.662 4.769 1.00 0.00 O ATOM 1168 CB ILE A 404 10.481 -7.845 4.778 1.00 0.00 C ATOM 1169 CG1 ILE A 404 11.943 -8.254 5.008 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.732 -8.921 4.004 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.749 -8.399 3.734 1.00 0.00 C ATOM 0 H ILE A 404 11.126 -5.595 5.801 1.00 0.00 H new ATOM 0 HA ILE A 404 10.903 -6.595 3.075 1.00 0.00 H new ATOM 0 HB ILE A 404 9.996 -7.735 5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.421 -7.511 5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 404 11.964 -9.200 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 404 9.794 -9.867 4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.686 -8.632 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.178 -9.036 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.770 -8.690 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.297 -9.164 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.761 -7.448 3.201 1.00 0.00 H new ATOM 1183 N ALA A 405 8.507 -6.192 2.589 1.00 0.00 N ATOM 1184 CA ALA A 405 7.138 -5.840 2.243 1.00 0.00 C ATOM 1185 C ALA A 405 6.144 -6.702 3.011 1.00 0.00 C ATOM 1186 O ALA A 405 6.201 -7.934 2.953 1.00 0.00 O ATOM 1187 CB ALA A 405 6.907 -5.971 0.745 1.00 0.00 C ATOM 0 H ALA A 405 9.069 -6.520 1.803 1.00 0.00 H new ATOM 0 HA ALA A 405 6.979 -4.799 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.877 -5.703 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.586 -5.305 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 405 7.093 -7.000 0.437 1.00 0.00 H new ATOM 1193 N PRO A 406 5.231 -6.055 3.753 1.00 0.00 N ATOM 1194 CA PRO A 406 4.207 -6.748 4.541 1.00 0.00 C ATOM 1195 C PRO A 406 3.292 -7.610 3.678 1.00 0.00 C ATOM 1196 O PRO A 406 3.103 -7.348 2.488 1.00 0.00 O ATOM 1197 CB PRO A 406 3.406 -5.610 5.183 1.00 0.00 C ATOM 1198 CG PRO A 406 4.316 -4.430 5.141 1.00 0.00 C ATOM 1199 CD PRO A 406 5.134 -4.594 3.895 1.00 0.00 C ATOM 0 HA PRO A 406 4.654 -7.432 5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.484 -5.418 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.123 -5.855 6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.749 -3.499 5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 406 4.952 -4.394 6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.651 -4.136 3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 406 6.116 -4.132 3.993 1.00 0.00 H new ATOM 1207 N PHE A 407 2.716 -8.627 4.291 1.00 0.00 N ATOM 1208 CA PHE A 407 1.829 -9.541 3.594 1.00 0.00 C ATOM 1209 C PHE A 407 0.406 -9.003 3.616 1.00 0.00 C ATOM 1210 O PHE A 407 0.008 -8.329 4.571 1.00 0.00 O ATOM 1211 CB PHE A 407 1.871 -10.925 4.244 1.00 0.00 C ATOM 1212 CG PHE A 407 2.998 -11.788 3.750 1.00 0.00 C ATOM 1213 CD1 PHE A 407 4.298 -11.565 4.174 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.751 -12.826 2.869 1.00 0.00 C ATOM 1215 CE1 PHE A 407 5.333 -12.360 3.724 1.00 0.00 C ATOM 1216 CE2 PHE A 407 3.782 -13.625 2.414 1.00 0.00 C ATOM 1217 CZ PHE A 407 5.075 -13.393 2.846 1.00 0.00 C ATOM 0 H PHE A 407 2.848 -8.843 5.279 1.00 0.00 H new ATOM 0 HA PHE A 407 2.163 -9.629 2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.961 -10.807 5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.926 -11.434 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 407 4.504 -10.760 4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.742 -13.013 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 407 6.343 -12.174 4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.579 -14.429 1.722 1.00 0.00 H new ATOM 0 HZ PHE A 407 5.882 -14.020 2.497 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.376 -9.290 2.563 1.00 0.00 N ATOM 1228 CA PRO A 408 -1.762 -8.836 2.453 1.00 0.00 C ATOM 1229 C PRO A 408 -2.681 -9.557 3.433 1.00 0.00 C ATOM 1230 O PRO A 408 -2.571 -10.769 3.629 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.160 -9.188 1.009 1.00 0.00 C ATOM 1232 CG PRO A 408 -0.899 -9.590 0.323 1.00 0.00 C ATOM 1233 CD PRO A 408 0.024 -10.085 1.399 1.00 0.00 C ATOM 0 HA PRO A 408 -1.852 -7.775 2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -2.889 -9.998 0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.620 -8.334 0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.089 -10.369 -0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.459 -8.746 -0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 408 -0.099 -11.153 1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 408 1.070 -9.924 1.140 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.585 -8.810 4.043 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.559 -9.381 4.958 1.00 0.00 C ATOM 1243 C GLU A 409 -5.891 -8.664 4.801 1.00 0.00 C ATOM 1244 O GLU A 409 -6.004 -7.725 4.014 1.00 0.00 O ATOM 1245 CB GLU A 409 -4.067 -9.281 6.407 1.00 0.00 C ATOM 1246 CG GLU A 409 -3.872 -7.856 6.901 1.00 0.00 C ATOM 1247 CD GLU A 409 -3.578 -7.796 8.385 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -2.408 -8.012 8.779 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -4.512 -7.534 9.168 1.00 0.00 O ATOM 0 H GLU A 409 -3.665 -7.801 3.920 1.00 0.00 H new ATOM 0 HA GLU A 409 -4.690 -10.436 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -4.782 -9.785 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -3.122 -9.817 6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -3.052 -7.393 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -4.768 -7.274 6.687 1.00 0.00 H new ATOM 1256 N ALA A 410 -6.896 -9.105 5.534 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.203 -8.475 5.471 1.00 0.00 C ATOM 1258 C ALA A 410 -8.334 -7.416 6.557 1.00 0.00 C ATOM 1259 O ALA A 410 -8.378 -7.733 7.747 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.305 -9.515 5.600 1.00 0.00 C ATOM 0 H ALA A 410 -6.834 -9.894 6.178 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.306 -7.988 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.277 -9.024 5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.221 -10.236 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -9.208 -10.031 6.555 1.00 0.00 H new ATOM 1266 N ALA A 411 -8.372 -6.157 6.142 1.00 0.00 N ATOM 1267 CA ALA A 411 -8.504 -5.049 7.080 1.00 0.00 C ATOM 1268 C ALA A 411 -9.959 -4.868 7.501 1.00 0.00 C ATOM 1269 O ALA A 411 -10.415 -5.493 8.459 1.00 0.00 O ATOM 1270 CB ALA A 411 -7.955 -3.764 6.476 1.00 0.00 C ATOM 0 H ALA A 411 -8.313 -5.877 5.163 1.00 0.00 H new ATOM 0 HA ALA A 411 -7.919 -5.285 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.063 -2.950 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.900 -3.897 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.508 -3.524 5.568 1.00 0.00 H new ATOM 1276 N LEU A 412 -10.685 -4.022 6.784 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.091 -3.791 7.068 1.00 0.00 C ATOM 1278 C LEU A 412 -12.907 -3.894 5.788 1.00 0.00 C ATOM 1279 O LEU A 412 -12.656 -3.169 4.822 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.291 -2.414 7.710 1.00 0.00 C ATOM 1281 CG LEU A 412 -13.730 -2.094 8.122 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -14.063 -2.752 9.456 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -13.941 -0.587 8.188 1.00 0.00 C ATOM 0 H LEU A 412 -10.320 -3.483 5.999 1.00 0.00 H new ATOM 0 HA LEU A 412 -12.432 -4.553 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.653 -2.345 8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -11.951 -1.651 7.010 1.00 0.00 H new ATOM 0 HG LEU A 412 -14.406 -2.498 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -15.090 -2.514 9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -13.953 -3.833 9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -13.385 -2.381 10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -14.969 -0.376 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -13.258 -0.156 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -13.747 -0.149 7.209 1.00 0.00 H new ATOM 1295 N PRO A 413 -13.868 -4.826 5.748 1.00 0.00 N ATOM 1296 CA PRO A 413 -14.776 -4.960 4.612 1.00 0.00 C ATOM 1297 C PRO A 413 -15.617 -3.700 4.424 1.00 0.00 C ATOM 1298 O PRO A 413 -16.345 -3.285 5.327 1.00 0.00 O ATOM 1299 CB PRO A 413 -15.664 -6.154 4.980 1.00 0.00 C ATOM 1300 CG PRO A 413 -15.512 -6.322 6.453 1.00 0.00 C ATOM 1301 CD PRO A 413 -14.138 -5.826 6.797 1.00 0.00 C ATOM 0 HA PRO A 413 -14.242 -5.105 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -16.704 -5.968 4.711 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -15.353 -7.053 4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -16.274 -5.757 6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -15.630 -7.367 6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -14.107 -5.383 7.793 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -13.404 -6.632 6.784 1.00 0.00 H new ATOM 1309 N THR A 414 -15.504 -3.096 3.252 1.00 0.00 N ATOM 1310 CA THR A 414 -16.177 -1.838 2.970 1.00 0.00 C ATOM 1311 C THR A 414 -17.672 -2.046 2.725 1.00 0.00 C ATOM 1312 O THR A 414 -18.091 -3.131 2.319 1.00 0.00 O ATOM 1313 CB THR A 414 -15.537 -1.155 1.749 1.00 0.00 C ATOM 1314 OG1 THR A 414 -14.107 -1.222 1.858 1.00 0.00 O ATOM 1315 CG2 THR A 414 -15.971 0.296 1.638 1.00 0.00 C ATOM 0 H THR A 414 -14.949 -3.459 2.477 1.00 0.00 H new ATOM 0 HA THR A 414 -16.063 -1.197 3.844 1.00 0.00 H new ATOM 0 HB THR A 414 -15.868 -1.678 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 414 -13.799 -2.110 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 414 -15.502 0.750 0.765 1.00 0.00 H new ATOM 0 HG22 THR A 414 -17.055 0.345 1.534 1.00 0.00 H new ATOM 0 HG23 THR A 414 -15.668 0.836 2.535 1.00 0.00 H new ATOM 1323 N SER A 415 -18.461 -0.999 2.994 1.00 0.00 N ATOM 1324 CA SER A 415 -19.905 -1.000 2.772 1.00 0.00 C ATOM 1325 C SER A 415 -20.618 -1.851 3.820 1.00 0.00 C ATOM 1326 O SER A 415 -20.935 -3.020 3.594 1.00 0.00 O ATOM 1327 CB SER A 415 -20.252 -1.464 1.348 1.00 0.00 C ATOM 1328 OG SER A 415 -19.340 -0.924 0.399 1.00 0.00 O ATOM 0 H SER A 415 -18.108 -0.121 3.375 1.00 0.00 H new ATOM 0 HA SER A 415 -20.258 0.026 2.877 1.00 0.00 H new ATOM 0 HB2 SER A 415 -20.229 -2.553 1.301 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.267 -1.155 1.098 1.00 0.00 H new ATOM 0 HG SER A 415 -19.580 -1.235 -0.499 1.00 0.00 H new