USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=25 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 84 SER OG : rot 90:sc= 1.78 USER MOD Set 1.2: A 415 SER OG : rot 71:sc= 1.24 USER MOD Set 2.1: A 129 HIS : no HE2:sc= -2.35 K(o=-2.2,f=-2.9!) USER MOD Set 2.2: A 208 SER OG : rot 113:sc= 0.19 USER MOD Set 3.1: A 115 CYS SG : rot -163:sc= 1.22 USER MOD Set 3.2: A 118 CYS SG : rot 115:sc= -0.506 USER MOD Set 3.3: A 137 CYS SG : rot 180:sc= -0.0333 USER MOD Set 4.1: A 87 CYS SG : rot -179:sc= 0.79 USER MOD Set 4.2: A 90 CYS SG : rot -112:sc= 0.334 USER MOD Set 4.3: A 109 HIS : no HD1:sc= 1.22 K(o=-1.9,f=-7!) USER MOD Set 4.4: A 112 CYS SG : rot 142:sc= -4.22! USER MOD Set 5.1: A 92 GLN :FLIP amide:sc= -0.187 F(o=-0.74,f=-0.2) USER MOD Set 5.2: A 93 SER OG : rot 180:sc= -0.0181 USER MOD Set 6.1: A 88 SER OG : rot 99:sc= 1.84 USER MOD Set 6.2: A 106 ASN : amide:sc= 0.465 K(o=2.3,f=-2.3!) USER MOD Set 6.3: A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.179 USER MOD Single : A 101 MET CE :methyl -138:sc= -0.208 (180deg=-3.25!) USER MOD Single : A 104 GLN : amide:sc=-0.00814 X(o=-0.0081,f=-0.061) USER MOD Single : A 111 LYS NZ :NH3+ 179:sc= 0.985 (180deg=0.975) USER MOD Single : A 114 THR OG1 : rot 35:sc= 0.185 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 120 ASN :FLIP amide:sc= -0.171 F(o=-3.8!,f=-0.17) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.4!) USER MOD Single : A 134 SER OG : rot 92:sc= 1.26 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 143 THR OG1 : rot -47:sc= 0.567 USER MOD Single : A 414 THR OG1 : rot -48:sc= 0.522 USER MOD ----------------------------------------------------------------- ATOM 61 N ARG A 79 -13.813 8.543 -1.769 1.00 0.00 N ATOM 62 CA ARG A 79 -14.044 7.818 -3.011 1.00 0.00 C ATOM 63 C ARG A 79 -14.341 6.355 -2.704 1.00 0.00 C ATOM 64 O ARG A 79 -14.520 5.535 -3.603 1.00 0.00 O ATOM 65 CB ARG A 79 -12.816 7.928 -3.931 1.00 0.00 C ATOM 66 CG ARG A 79 -11.637 7.077 -3.481 1.00 0.00 C ATOM 67 CD ARG A 79 -10.358 7.449 -4.215 1.00 0.00 C ATOM 68 NE ARG A 79 -9.173 6.955 -3.520 1.00 0.00 N ATOM 69 CZ ARG A 79 -8.219 7.740 -3.019 1.00 0.00 C ATOM 70 NH1 ARG A 79 -8.271 9.051 -3.210 1.00 0.00 N ATOM 71 NH2 ARG A 79 -7.206 7.213 -2.343 1.00 0.00 N ATOM 0 HA ARG A 79 -14.900 8.257 -3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.102 7.633 -4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.502 8.971 -3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.489 7.200 -2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.862 6.024 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.385 7.039 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.297 8.533 -4.313 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.068 5.946 -3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.041 9.459 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.541 9.652 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.155 6.204 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.478 7.817 -1.961 1.00 0.00 H new ATOM 85 N LEU A 80 -14.423 6.041 -1.418 1.00 0.00 N ATOM 86 CA LEU A 80 -14.520 4.657 -0.972 1.00 0.00 C ATOM 87 C LEU A 80 -15.973 4.235 -0.766 1.00 0.00 C ATOM 88 O LEU A 80 -16.307 3.624 0.250 1.00 0.00 O ATOM 89 CB LEU A 80 -13.723 4.465 0.325 1.00 0.00 C ATOM 90 CG LEU A 80 -13.514 5.729 1.166 1.00 0.00 C ATOM 91 CD1 LEU A 80 -13.508 5.382 2.639 1.00 0.00 C ATOM 92 CD2 LEU A 80 -12.222 6.436 0.787 1.00 0.00 C ATOM 0 H LEU A 80 -14.424 6.727 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.097 4.023 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.234 3.723 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.746 4.052 0.073 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.342 6.409 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.359 6.288 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.461 4.927 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.700 4.680 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.102 7.329 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.378 5.766 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -12.258 6.721 -0.264 1.00 0.00 H new ATOM 104 N PHE A 81 -16.823 4.559 -1.748 1.00 0.00 N ATOM 105 CA PHE A 81 -18.247 4.237 -1.696 1.00 0.00 C ATOM 106 C PHE A 81 -18.863 4.704 -0.378 1.00 0.00 C ATOM 107 O PHE A 81 -19.761 4.067 0.174 1.00 0.00 O ATOM 108 CB PHE A 81 -18.438 2.739 -1.880 1.00 0.00 C ATOM 109 CG PHE A 81 -18.743 2.342 -3.297 1.00 0.00 C ATOM 110 CD1 PHE A 81 -19.973 2.638 -3.860 1.00 0.00 C ATOM 111 CD2 PHE A 81 -17.802 1.672 -4.067 1.00 0.00 C ATOM 112 CE1 PHE A 81 -20.262 2.276 -5.163 1.00 0.00 C ATOM 113 CE2 PHE A 81 -18.086 1.308 -5.372 1.00 0.00 C ATOM 114 CZ PHE A 81 -19.318 1.609 -5.919 1.00 0.00 C ATOM 0 H PHE A 81 -16.541 5.050 -2.596 1.00 0.00 H new ATOM 0 HA PHE A 81 -18.757 4.762 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -17.535 2.223 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -19.249 2.402 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -20.716 3.158 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -16.838 1.432 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -21.225 2.515 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -17.345 0.789 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 81 -19.543 1.323 -6.936 1.00 0.00 H new ATOM 124 N GLY A 82 -18.371 5.834 0.107 1.00 0.00 N ATOM 125 CA GLY A 82 -18.750 6.326 1.409 1.00 0.00 C ATOM 126 C GLY A 82 -17.532 6.474 2.281 1.00 0.00 C ATOM 127 O GLY A 82 -16.541 7.075 1.859 1.00 0.00 O ATOM 0 H GLY A 82 -17.705 6.425 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -19.255 7.287 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -19.458 5.640 1.874 1.00 0.00 H new ATOM 131 N ASN A 83 -17.582 5.919 3.478 1.00 0.00 N ATOM 132 CA ASN A 83 -16.425 5.928 4.355 1.00 0.00 C ATOM 133 C ASN A 83 -16.311 4.630 5.139 1.00 0.00 C ATOM 134 O ASN A 83 -16.701 4.554 6.306 1.00 0.00 O ATOM 135 CB ASN A 83 -16.472 7.121 5.314 1.00 0.00 C ATOM 136 CG ASN A 83 -15.180 7.285 6.096 1.00 0.00 C ATOM 137 OD1 ASN A 83 -14.094 7.010 5.589 1.00 0.00 O ATOM 138 ND2 ASN A 83 -15.283 7.744 7.334 1.00 0.00 N ATOM 0 H ASN A 83 -18.406 5.459 3.864 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.541 6.023 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.669 8.031 4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -17.301 6.992 6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.445 7.880 7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -16.201 7.962 7.722 1.00 0.00 H new ATOM 145 N SER A 84 -15.788 3.606 4.485 1.00 0.00 N ATOM 146 CA SER A 84 -15.514 2.334 5.136 1.00 0.00 C ATOM 147 C SER A 84 -14.012 2.043 5.102 1.00 0.00 C ATOM 148 O SER A 84 -13.381 1.833 6.142 1.00 0.00 O ATOM 149 CB SER A 84 -16.297 1.214 4.442 1.00 0.00 C ATOM 150 OG SER A 84 -17.086 1.732 3.376 1.00 0.00 O ATOM 0 H SER A 84 -15.543 3.631 3.495 1.00 0.00 H new ATOM 0 HA SER A 84 -15.833 2.387 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.605 0.465 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.940 0.712 5.165 1.00 0.00 H new ATOM 0 HG SER A 84 -16.563 1.722 2.547 1.00 0.00 H new ATOM 156 N GLY A 85 -13.445 2.051 3.901 1.00 0.00 N ATOM 157 CA GLY A 85 -12.024 1.810 3.742 1.00 0.00 C ATOM 158 C GLY A 85 -11.612 1.814 2.285 1.00 0.00 C ATOM 159 O GLY A 85 -12.370 1.364 1.423 1.00 0.00 O ATOM 0 H GLY A 85 -13.948 2.221 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.463 2.574 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.766 0.850 4.190 1.00 0.00 H new ATOM 163 N ALA A 86 -10.416 2.323 2.005 1.00 0.00 N ATOM 164 CA ALA A 86 -9.908 2.381 0.640 1.00 0.00 C ATOM 165 C ALA A 86 -8.396 2.544 0.632 1.00 0.00 C ATOM 166 O ALA A 86 -7.812 2.982 1.620 1.00 0.00 O ATOM 167 CB ALA A 86 -10.558 3.518 -0.125 1.00 0.00 C ATOM 0 H ALA A 86 -9.780 2.702 2.707 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.158 1.441 0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.165 3.544 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.637 3.365 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.340 4.463 0.373 1.00 0.00 H new ATOM 173 N CYS A 87 -7.777 2.179 -0.485 1.00 0.00 N ATOM 174 CA CYS A 87 -6.340 2.309 -0.648 1.00 0.00 C ATOM 175 C CYS A 87 -5.996 3.711 -1.166 1.00 0.00 C ATOM 176 O CYS A 87 -6.771 4.317 -1.909 1.00 0.00 O ATOM 177 CB CYS A 87 -5.820 1.196 -1.580 1.00 0.00 C ATOM 178 SG CYS A 87 -5.322 1.729 -3.250 1.00 0.00 S ATOM 0 H CYS A 87 -8.256 1.788 -1.296 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.843 2.190 0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.965 0.717 -1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.597 0.437 -1.678 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.925 0.697 -3.934 1.00 0.00 H new ATOM 183 N SER A 88 -4.863 4.249 -0.742 1.00 0.00 N ATOM 184 CA SER A 88 -4.468 5.589 -1.151 1.00 0.00 C ATOM 185 C SER A 88 -4.008 5.623 -2.609 1.00 0.00 C ATOM 186 O SER A 88 -3.873 6.698 -3.196 1.00 0.00 O ATOM 187 CB SER A 88 -3.360 6.115 -0.237 1.00 0.00 C ATOM 188 OG SER A 88 -3.154 5.250 0.867 1.00 0.00 O ATOM 0 H SER A 88 -4.204 3.782 -0.119 1.00 0.00 H new ATOM 0 HA SER A 88 -5.343 6.233 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.434 6.214 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.622 7.111 0.121 1.00 0.00 H new ATOM 0 HG SER A 88 -2.383 4.671 0.690 1.00 0.00 H new ATOM 194 N ALA A 89 -3.784 4.452 -3.200 1.00 0.00 N ATOM 195 CA ALA A 89 -3.292 4.380 -4.568 1.00 0.00 C ATOM 196 C ALA A 89 -4.440 4.517 -5.562 1.00 0.00 C ATOM 197 O ALA A 89 -4.361 5.304 -6.506 1.00 0.00 O ATOM 198 CB ALA A 89 -2.531 3.084 -4.798 1.00 0.00 C ATOM 0 H ALA A 89 -3.935 3.547 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.604 5.211 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.172 3.051 -5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.682 3.034 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.192 2.237 -4.617 1.00 0.00 H new ATOM 204 N CYS A 90 -5.509 3.763 -5.333 1.00 0.00 N ATOM 205 CA CYS A 90 -6.678 3.818 -6.197 1.00 0.00 C ATOM 206 C CYS A 90 -7.942 4.075 -5.381 1.00 0.00 C ATOM 207 O CYS A 90 -8.784 4.887 -5.759 1.00 0.00 O ATOM 208 CB CYS A 90 -6.806 2.524 -7.019 1.00 0.00 C ATOM 209 SG CYS A 90 -7.631 1.135 -6.169 1.00 0.00 S ATOM 0 H CYS A 90 -5.589 3.107 -4.556 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.552 4.649 -6.892 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.357 2.747 -7.933 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -5.808 2.204 -7.318 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.767 0.191 -5.940 1.00 0.00 H new ATOM 214 N GLY A 91 -8.048 3.392 -4.248 1.00 0.00 N ATOM 215 CA GLY A 91 -9.189 3.555 -3.370 1.00 0.00 C ATOM 216 C GLY A 91 -10.447 2.881 -3.876 1.00 0.00 C ATOM 217 O GLY A 91 -11.543 3.166 -3.387 1.00 0.00 O ATOM 0 H GLY A 91 -7.354 2.720 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.941 3.152 -2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.385 4.619 -3.238 1.00 0.00 H new ATOM 221 N GLN A 92 -10.307 1.985 -4.838 1.00 0.00 N ATOM 222 CA GLN A 92 -11.465 1.313 -5.405 1.00 0.00 C ATOM 223 C GLN A 92 -11.925 0.149 -4.532 1.00 0.00 C ATOM 224 O GLN A 92 -11.705 -1.008 -4.877 1.00 0.00 O ATOM 225 CB GLN A 92 -11.168 0.815 -6.816 1.00 0.00 C ATOM 226 CG GLN A 92 -12.311 1.060 -7.801 1.00 0.00 C ATOM 227 CD GLN A 92 -13.662 0.594 -7.274 1.00 0.00 C ATOM 228 OE1 GLN A 92 -14.378 1.482 -6.597 1.00 0.00 O flip ATOM 229 NE2 GLN A 92 -14.060 -0.556 -7.471 1.00 0.00 N flip ATOM 0 H GLN A 92 -9.412 1.707 -5.240 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.271 2.046 -5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.269 1.308 -7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.954 -0.253 -6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.364 2.124 -8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.094 0.543 -8.736 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.483 -1.213 -7.996 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -14.967 -0.851 -7.109 1.00 0.00 H new ATOM 238 N SER A 93 -12.590 0.489 -3.426 1.00 0.00 N ATOM 239 CA SER A 93 -13.246 -0.478 -2.538 1.00 0.00 C ATOM 240 C SER A 93 -12.273 -1.470 -1.891 1.00 0.00 C ATOM 241 O SER A 93 -11.459 -2.108 -2.555 1.00 0.00 O ATOM 242 CB SER A 93 -14.334 -1.242 -3.295 1.00 0.00 C ATOM 243 OG SER A 93 -14.849 -0.469 -4.368 1.00 0.00 O ATOM 0 H SER A 93 -12.690 1.456 -3.116 1.00 0.00 H new ATOM 0 HA SER A 93 -13.688 0.104 -1.729 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.926 -2.177 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.141 -1.504 -2.611 1.00 0.00 H new ATOM 0 HG SER A 93 -15.541 -0.980 -4.837 1.00 0.00 H new ATOM 249 N ILE A 94 -12.358 -1.589 -0.579 1.00 0.00 N ATOM 250 CA ILE A 94 -11.632 -2.629 0.128 1.00 0.00 C ATOM 251 C ILE A 94 -12.605 -3.735 0.519 1.00 0.00 C ATOM 252 O ILE A 94 -13.375 -3.590 1.467 1.00 0.00 O ATOM 253 CB ILE A 94 -10.909 -2.082 1.379 1.00 0.00 C ATOM 254 CG1 ILE A 94 -9.855 -1.048 0.950 1.00 0.00 C ATOM 255 CG2 ILE A 94 -10.285 -3.224 2.177 1.00 0.00 C ATOM 256 CD1 ILE A 94 -8.579 -1.057 1.772 1.00 0.00 C ATOM 0 H ILE A 94 -12.920 -0.981 0.017 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.863 -3.024 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.630 -1.588 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.598 -1.224 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.299 -0.054 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.780 -2.821 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.066 -3.916 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.563 -3.752 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.898 -0.295 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.817 -0.847 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.105 -2.036 1.698 1.00 0.00 H new ATOM 268 N PRO A 95 -12.635 -4.823 -0.261 1.00 0.00 N ATOM 269 CA PRO A 95 -13.513 -5.960 -0.011 1.00 0.00 C ATOM 270 C PRO A 95 -12.980 -6.864 1.094 1.00 0.00 C ATOM 271 O PRO A 95 -11.791 -6.847 1.400 1.00 0.00 O ATOM 272 CB PRO A 95 -13.532 -6.714 -1.351 1.00 0.00 C ATOM 273 CG PRO A 95 -12.684 -5.915 -2.294 1.00 0.00 C ATOM 274 CD PRO A 95 -11.804 -5.047 -1.445 1.00 0.00 C ATOM 0 HA PRO A 95 -14.500 -5.641 0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.139 -7.724 -1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.550 -6.810 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.087 -6.570 -2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.304 -5.310 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.865 -5.541 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.549 -4.113 -1.946 1.00 0.00 H new ATOM 282 N ALA A 96 -13.861 -7.654 1.688 1.00 0.00 N ATOM 283 CA ALA A 96 -13.447 -8.640 2.676 1.00 0.00 C ATOM 284 C ALA A 96 -12.873 -9.863 1.971 1.00 0.00 C ATOM 285 O ALA A 96 -12.178 -10.683 2.573 1.00 0.00 O ATOM 286 CB ALA A 96 -14.619 -9.031 3.565 1.00 0.00 C ATOM 0 H ALA A 96 -14.864 -7.633 1.505 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.675 -8.205 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.290 -9.769 4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -14.993 -8.148 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -15.414 -9.457 2.953 1.00 0.00 H new ATOM 292 N SER A 97 -13.173 -9.960 0.679 1.00 0.00 N ATOM 293 CA SER A 97 -12.734 -11.070 -0.147 1.00 0.00 C ATOM 294 C SER A 97 -11.291 -10.870 -0.610 1.00 0.00 C ATOM 295 O SER A 97 -10.527 -11.827 -0.726 1.00 0.00 O ATOM 296 CB SER A 97 -13.663 -11.184 -1.353 1.00 0.00 C ATOM 297 OG SER A 97 -14.522 -10.052 -1.423 1.00 0.00 O ATOM 0 H SER A 97 -13.729 -9.267 0.178 1.00 0.00 H new ATOM 0 HA SER A 97 -12.771 -11.988 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.075 -11.260 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.256 -12.095 -1.279 1.00 0.00 H new ATOM 0 HG SER A 97 -15.111 -10.136 -2.201 1.00 0.00 H new ATOM 303 N GLU A 98 -10.922 -9.624 -0.869 1.00 0.00 N ATOM 304 CA GLU A 98 -9.583 -9.316 -1.332 1.00 0.00 C ATOM 305 C GLU A 98 -8.741 -8.796 -0.175 1.00 0.00 C ATOM 306 O GLU A 98 -9.066 -7.777 0.431 1.00 0.00 O ATOM 307 CB GLU A 98 -9.627 -8.287 -2.466 1.00 0.00 C ATOM 308 CG GLU A 98 -9.525 -8.912 -3.849 1.00 0.00 C ATOM 309 CD GLU A 98 -9.117 -7.916 -4.923 1.00 0.00 C ATOM 310 OE1 GLU A 98 -9.773 -6.861 -5.047 1.00 0.00 O ATOM 311 OE2 GLU A 98 -8.141 -8.184 -5.652 1.00 0.00 O ATOM 0 H GLU A 98 -11.532 -8.813 -0.766 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.128 -10.228 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.556 -7.721 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.811 -7.577 -2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.800 -9.725 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.487 -9.351 -4.115 1.00 0.00 H new ATOM 318 N LEU A 99 -7.677 -9.517 0.137 1.00 0.00 N ATOM 319 CA LEU A 99 -6.795 -9.146 1.237 1.00 0.00 C ATOM 320 C LEU A 99 -6.026 -7.868 0.904 1.00 0.00 C ATOM 321 O LEU A 99 -5.567 -7.689 -0.226 1.00 0.00 O ATOM 322 CB LEU A 99 -5.819 -10.285 1.532 1.00 0.00 C ATOM 323 CG LEU A 99 -6.455 -11.668 1.671 1.00 0.00 C ATOM 324 CD1 LEU A 99 -5.545 -12.734 1.080 1.00 0.00 C ATOM 325 CD2 LEU A 99 -6.758 -11.965 3.130 1.00 0.00 C ATOM 0 H LEU A 99 -7.400 -10.366 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.404 -8.961 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.077 -10.322 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.284 -10.054 2.453 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.394 -11.678 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.013 -13.712 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.379 -12.525 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.590 -12.729 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.211 -12.953 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.833 -11.939 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.448 -11.216 3.518 1.00 0.00 H new ATOM 337 N VAL A 100 -5.881 -6.986 1.887 1.00 0.00 N ATOM 338 CA VAL A 100 -5.228 -5.703 1.666 1.00 0.00 C ATOM 339 C VAL A 100 -3.968 -5.568 2.512 1.00 0.00 C ATOM 340 O VAL A 100 -3.875 -6.113 3.611 1.00 0.00 O ATOM 341 CB VAL A 100 -6.177 -4.520 1.956 1.00 0.00 C ATOM 342 CG1 VAL A 100 -7.117 -4.312 0.782 1.00 0.00 C ATOM 343 CG2 VAL A 100 -6.965 -4.740 3.240 1.00 0.00 C ATOM 0 H VAL A 100 -6.206 -7.136 2.842 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.950 -5.672 0.612 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.572 -3.624 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.784 -3.476 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.537 -4.096 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.707 -5.215 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.623 -3.888 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.562 -5.647 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.275 -4.842 4.077 1.00 0.00 H new ATOM 353 N MET A 101 -3.001 -4.841 1.991 1.00 0.00 N ATOM 354 CA MET A 101 -1.724 -4.672 2.655 1.00 0.00 C ATOM 355 C MET A 101 -1.772 -3.463 3.573 1.00 0.00 C ATOM 356 O MET A 101 -1.956 -2.333 3.117 1.00 0.00 O ATOM 357 CB MET A 101 -0.609 -4.508 1.620 1.00 0.00 C ATOM 358 CG MET A 101 0.245 -5.752 1.456 1.00 0.00 C ATOM 359 SD MET A 101 0.064 -6.509 -0.171 1.00 0.00 S ATOM 360 CE MET A 101 1.738 -7.063 -0.477 1.00 0.00 C ATOM 0 H MET A 101 -3.077 -4.352 1.099 1.00 0.00 H new ATOM 0 HA MET A 101 -1.516 -5.559 3.253 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.051 -4.250 0.658 1.00 0.00 H new ATOM 0 HB3 MET A 101 0.029 -3.674 1.912 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.291 -5.494 1.618 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.026 -6.478 2.222 1.00 0.00 H new ATOM 0 HE1 MET A 101 2.007 -6.853 -1.512 1.00 0.00 H new ATOM 0 HE2 MET A 101 2.422 -6.538 0.189 1.00 0.00 H new ATOM 0 HE3 MET A 101 1.805 -8.136 -0.295 1.00 0.00 H new ATOM 370 N ARG A 102 -1.634 -3.702 4.866 1.00 0.00 N ATOM 371 CA ARG A 102 -1.667 -2.623 5.837 1.00 0.00 C ATOM 372 C ARG A 102 -0.293 -2.441 6.474 1.00 0.00 C ATOM 373 O ARG A 102 0.370 -3.417 6.837 1.00 0.00 O ATOM 374 CB ARG A 102 -2.733 -2.883 6.910 1.00 0.00 C ATOM 375 CG ARG A 102 -2.651 -4.257 7.562 1.00 0.00 C ATOM 376 CD ARG A 102 -3.592 -4.354 8.751 1.00 0.00 C ATOM 377 NE ARG A 102 -3.395 -5.584 9.514 1.00 0.00 N ATOM 378 CZ ARG A 102 -3.614 -5.689 10.823 1.00 0.00 C ATOM 379 NH1 ARG A 102 -4.048 -4.645 11.518 1.00 0.00 N ATOM 380 NH2 ARG A 102 -3.412 -6.847 11.439 1.00 0.00 N ATOM 0 H ARG A 102 -1.499 -4.630 5.266 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.933 -1.703 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.644 -2.121 7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.719 -2.766 6.460 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.903 -5.026 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.628 -4.449 7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.438 -3.495 9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.623 -4.308 8.400 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.070 -6.412 9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.216 -3.755 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.214 -4.733 12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.089 -7.657 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.580 -6.927 12.442 1.00 0.00 H new ATOM 394 N ALA A 103 0.136 -1.193 6.594 1.00 0.00 N ATOM 395 CA ALA A 103 1.451 -0.895 7.139 1.00 0.00 C ATOM 396 C ALA A 103 1.342 -0.161 8.478 1.00 0.00 C ATOM 397 O ALA A 103 0.717 -0.663 9.412 1.00 0.00 O ATOM 398 CB ALA A 103 2.262 -0.088 6.133 1.00 0.00 C ATOM 0 H ALA A 103 -0.406 -0.373 6.322 1.00 0.00 H new ATOM 0 HA ALA A 103 1.969 -1.835 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.245 0.130 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.377 -0.663 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.745 0.846 5.915 1.00 0.00 H new ATOM 404 N GLN A 104 1.942 1.029 8.555 1.00 0.00 N ATOM 405 CA GLN A 104 1.984 1.812 9.791 1.00 0.00 C ATOM 406 C GLN A 104 0.582 2.180 10.268 1.00 0.00 C ATOM 407 O GLN A 104 0.217 1.933 11.416 1.00 0.00 O ATOM 408 CB GLN A 104 2.798 3.090 9.572 1.00 0.00 C ATOM 409 CG GLN A 104 4.146 3.098 10.278 1.00 0.00 C ATOM 410 CD GLN A 104 5.151 4.003 9.593 1.00 0.00 C ATOM 411 OE1 GLN A 104 4.817 5.108 9.169 1.00 0.00 O ATOM 412 NE2 GLN A 104 6.386 3.542 9.473 1.00 0.00 N ATOM 0 H GLN A 104 2.410 1.475 7.766 1.00 0.00 H new ATOM 0 HA GLN A 104 2.456 1.198 10.558 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.959 3.226 8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 104 2.214 3.943 9.917 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.011 3.424 11.309 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.541 2.083 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.624 2.620 9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.100 4.109 9.016 1.00 0.00 H new ATOM 421 N GLY A 105 -0.180 2.797 9.383 1.00 0.00 N ATOM 422 CA GLY A 105 -1.537 3.180 9.708 1.00 0.00 C ATOM 423 C GLY A 105 -2.339 3.459 8.461 1.00 0.00 C ATOM 424 O GLY A 105 -3.234 4.303 8.460 1.00 0.00 O ATOM 0 H GLY A 105 0.118 3.042 8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.015 2.385 10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.525 4.067 10.342 1.00 0.00 H new ATOM 428 N ASN A 106 -2.009 2.746 7.395 1.00 0.00 N ATOM 429 CA ASN A 106 -2.656 2.951 6.109 1.00 0.00 C ATOM 430 C ASN A 106 -2.892 1.615 5.422 1.00 0.00 C ATOM 431 O ASN A 106 -2.228 0.620 5.731 1.00 0.00 O ATOM 432 CB ASN A 106 -1.806 3.862 5.217 1.00 0.00 C ATOM 433 CG ASN A 106 -2.633 4.617 4.191 1.00 0.00 C ATOM 434 OD1 ASN A 106 -3.854 4.470 4.126 1.00 0.00 O ATOM 435 ND2 ASN A 106 -1.972 5.429 3.379 1.00 0.00 N ATOM 0 H ASN A 106 -1.294 2.018 7.396 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.618 3.435 6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -1.269 4.576 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.056 3.262 4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.475 5.960 2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.960 5.523 3.465 1.00 0.00 H new ATOM 442 N VAL A 107 -3.831 1.604 4.489 1.00 0.00 N ATOM 443 CA VAL A 107 -4.219 0.389 3.795 1.00 0.00 C ATOM 444 C VAL A 107 -3.998 0.532 2.296 1.00 0.00 C ATOM 445 O VAL A 107 -4.248 1.591 1.718 1.00 0.00 O ATOM 446 CB VAL A 107 -5.701 0.032 4.048 1.00 0.00 C ATOM 447 CG1 VAL A 107 -5.829 -0.940 5.210 1.00 0.00 C ATOM 448 CG2 VAL A 107 -6.534 1.281 4.295 1.00 0.00 C ATOM 0 H VAL A 107 -4.343 2.435 4.193 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.593 -0.412 4.188 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.086 -0.453 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.880 -1.178 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.281 -1.854 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.418 -0.486 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.572 0.997 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.150 1.808 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.478 1.934 3.424 1.00 0.00 H new ATOM 458 N TYR A 108 -3.509 -0.532 1.679 1.00 0.00 N ATOM 459 CA TYR A 108 -3.285 -0.553 0.242 1.00 0.00 C ATOM 460 C TYR A 108 -3.742 -1.881 -0.346 1.00 0.00 C ATOM 461 O TYR A 108 -3.877 -2.871 0.369 1.00 0.00 O ATOM 462 CB TYR A 108 -1.800 -0.346 -0.070 1.00 0.00 C ATOM 463 CG TYR A 108 -1.309 1.065 0.163 1.00 0.00 C ATOM 464 CD1 TYR A 108 -1.509 2.056 -0.788 1.00 0.00 C ATOM 465 CD2 TYR A 108 -0.646 1.404 1.336 1.00 0.00 C ATOM 466 CE1 TYR A 108 -1.064 3.345 -0.577 1.00 0.00 C ATOM 467 CE2 TYR A 108 -0.201 2.691 1.557 1.00 0.00 C ATOM 468 CZ TYR A 108 -0.411 3.657 0.597 1.00 0.00 C ATOM 469 OH TYR A 108 0.018 4.947 0.813 1.00 0.00 O ATOM 0 H TYR A 108 -3.258 -1.398 2.155 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.863 0.257 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.213 -1.029 0.543 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.618 -0.615 -1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.021 1.814 -1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.476 0.647 2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.226 4.105 -1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.309 2.940 2.476 1.00 0.00 H new ATOM 0 HH TYR A 108 0.459 5.003 1.687 1.00 0.00 H new ATOM 479 N HIS A 109 -3.976 -1.903 -1.647 1.00 0.00 N ATOM 480 CA HIS A 109 -4.324 -3.141 -2.334 1.00 0.00 C ATOM 481 C HIS A 109 -3.045 -3.877 -2.728 1.00 0.00 C ATOM 482 O HIS A 109 -2.015 -3.246 -2.946 1.00 0.00 O ATOM 483 CB HIS A 109 -5.165 -2.852 -3.583 1.00 0.00 C ATOM 484 CG HIS A 109 -6.580 -2.438 -3.305 1.00 0.00 C ATOM 485 ND1 HIS A 109 -7.084 -1.242 -3.759 1.00 0.00 N ATOM 486 CD2 HIS A 109 -7.575 -3.113 -2.669 1.00 0.00 C ATOM 487 CE1 HIS A 109 -8.354 -1.211 -3.407 1.00 0.00 C ATOM 488 NE2 HIS A 109 -8.702 -2.324 -2.735 1.00 0.00 N ATOM 0 H HIS A 109 -3.932 -1.081 -2.250 1.00 0.00 H new ATOM 0 HA HIS A 109 -4.914 -3.763 -1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -4.677 -2.065 -4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.178 -3.744 -4.210 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -7.496 -4.083 -2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -9.028 -0.397 -3.629 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -9.621 -2.541 -2.350 1.00 0.00 H new ATOM 496 N LEU A 110 -3.107 -5.201 -2.831 1.00 0.00 N ATOM 497 CA LEU A 110 -1.930 -5.989 -3.203 1.00 0.00 C ATOM 498 C LEU A 110 -1.494 -5.682 -4.638 1.00 0.00 C ATOM 499 O LEU A 110 -0.345 -5.919 -5.017 1.00 0.00 O ATOM 500 CB LEU A 110 -2.209 -7.489 -3.034 1.00 0.00 C ATOM 501 CG LEU A 110 -3.503 -8.003 -3.673 1.00 0.00 C ATOM 502 CD1 LEU A 110 -3.211 -8.645 -5.021 1.00 0.00 C ATOM 503 CD2 LEU A 110 -4.190 -8.995 -2.747 1.00 0.00 C ATOM 0 H LEU A 110 -3.950 -5.750 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.114 -5.711 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.372 -8.045 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.237 -7.716 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.172 -7.158 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.141 -9.005 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.756 -7.909 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.526 -9.482 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.108 -9.352 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.526 -9.839 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.429 -8.506 -1.803 1.00 0.00 H new ATOM 515 N LYS A 111 -2.418 -5.152 -5.431 1.00 0.00 N ATOM 516 CA LYS A 111 -2.125 -4.783 -6.814 1.00 0.00 C ATOM 517 C LYS A 111 -1.634 -3.342 -6.885 1.00 0.00 C ATOM 518 O LYS A 111 -0.948 -2.947 -7.830 1.00 0.00 O ATOM 519 CB LYS A 111 -3.368 -4.954 -7.698 1.00 0.00 C ATOM 520 CG LYS A 111 -4.543 -5.605 -6.986 1.00 0.00 C ATOM 521 CD LYS A 111 -5.870 -5.002 -7.418 1.00 0.00 C ATOM 522 CE LYS A 111 -6.958 -5.271 -6.396 1.00 0.00 C ATOM 523 NZ LYS A 111 -8.239 -5.668 -7.042 1.00 0.00 N ATOM 0 H LYS A 111 -3.378 -4.967 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.342 -5.445 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.676 -3.976 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.104 -5.556 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.546 -6.675 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.425 -5.489 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.755 -3.927 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.163 -5.417 -8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.633 -6.061 -5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.117 -4.378 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.952 -5.859 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.572 -4.897 -7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.089 -6.525 -7.612 1.00 0.00 H new ATOM 537 N CYS A 112 -2.002 -2.564 -5.879 1.00 0.00 N ATOM 538 CA CYS A 112 -1.645 -1.158 -5.817 1.00 0.00 C ATOM 539 C CYS A 112 -0.364 -0.944 -5.007 1.00 0.00 C ATOM 540 O CYS A 112 0.129 0.179 -4.892 1.00 0.00 O ATOM 541 CB CYS A 112 -2.816 -0.376 -5.223 1.00 0.00 C ATOM 542 SG CYS A 112 -4.420 -0.848 -5.951 1.00 0.00 S ATOM 0 H CYS A 112 -2.555 -2.889 -5.086 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.443 -0.793 -6.824 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.848 -0.540 -4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.651 0.690 -5.378 1.00 0.00 H new ATOM 0 HG CYS A 112 -5.332 -0.854 -5.025 1.00 0.00 H new ATOM 547 N PHE A 113 0.177 -2.032 -4.464 1.00 0.00 N ATOM 548 CA PHE A 113 1.429 -1.978 -3.721 1.00 0.00 C ATOM 549 C PHE A 113 2.610 -1.867 -4.680 1.00 0.00 C ATOM 550 O PHE A 113 3.339 -2.832 -4.909 1.00 0.00 O ATOM 551 CB PHE A 113 1.583 -3.218 -2.831 1.00 0.00 C ATOM 552 CG PHE A 113 1.929 -2.900 -1.401 1.00 0.00 C ATOM 553 CD1 PHE A 113 1.512 -1.712 -0.826 1.00 0.00 C ATOM 554 CD2 PHE A 113 2.660 -3.790 -0.631 1.00 0.00 C ATOM 555 CE1 PHE A 113 1.821 -1.414 0.488 1.00 0.00 C ATOM 556 CE2 PHE A 113 2.972 -3.496 0.681 1.00 0.00 C ATOM 557 CZ PHE A 113 2.550 -2.308 1.241 1.00 0.00 C ATOM 0 H PHE A 113 -0.235 -2.963 -4.526 1.00 0.00 H new ATOM 0 HA PHE A 113 1.412 -1.095 -3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.653 -3.787 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.359 -3.860 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.938 -1.009 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.989 -4.724 -1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 113 1.492 -0.482 0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.547 -4.196 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 113 2.791 -2.079 2.269 1.00 0.00 H new ATOM 567 N THR A 114 2.785 -0.684 -5.244 1.00 0.00 N ATOM 568 CA THR A 114 3.873 -0.433 -6.177 1.00 0.00 C ATOM 569 C THR A 114 4.617 0.838 -5.783 1.00 0.00 C ATOM 570 O THR A 114 4.041 1.716 -5.136 1.00 0.00 O ATOM 571 CB THR A 114 3.349 -0.276 -7.621 1.00 0.00 C ATOM 572 OG1 THR A 114 2.111 0.446 -7.621 1.00 0.00 O ATOM 573 CG2 THR A 114 3.138 -1.627 -8.285 1.00 0.00 C ATOM 0 H THR A 114 2.185 0.122 -5.072 1.00 0.00 H new ATOM 0 HA THR A 114 4.546 -1.290 -6.137 1.00 0.00 H new ATOM 0 HB THR A 114 4.101 0.276 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.126 1.120 -6.910 1.00 0.00 H new ATOM 0 HG21 THR A 114 2.769 -1.480 -9.300 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.084 -2.168 -8.318 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.410 -2.203 -7.714 1.00 0.00 H new ATOM 581 N CYS A 115 5.890 0.938 -6.160 1.00 0.00 N ATOM 582 CA CYS A 115 6.661 2.132 -5.868 1.00 0.00 C ATOM 583 C CYS A 115 6.206 3.285 -6.756 1.00 0.00 C ATOM 584 O CYS A 115 5.734 3.078 -7.878 1.00 0.00 O ATOM 585 CB CYS A 115 8.163 1.871 -6.032 1.00 0.00 C ATOM 586 SG CYS A 115 8.749 1.693 -7.746 1.00 0.00 S ATOM 0 H CYS A 115 6.400 0.212 -6.663 1.00 0.00 H new ATOM 0 HA CYS A 115 6.486 2.409 -4.828 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.709 2.690 -5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.418 0.964 -5.484 1.00 0.00 H new ATOM 0 HG CYS A 115 9.923 1.134 -7.747 1.00 0.00 H new ATOM 591 N SER A 116 6.344 4.499 -6.255 1.00 0.00 N ATOM 592 CA SER A 116 5.886 5.672 -6.984 1.00 0.00 C ATOM 593 C SER A 116 6.968 6.206 -7.921 1.00 0.00 C ATOM 594 O SER A 116 6.768 7.212 -8.604 1.00 0.00 O ATOM 595 CB SER A 116 5.456 6.761 -5.999 1.00 0.00 C ATOM 596 OG SER A 116 5.025 6.193 -4.770 1.00 0.00 O ATOM 0 H SER A 116 6.768 4.700 -5.349 1.00 0.00 H new ATOM 0 HA SER A 116 5.033 5.379 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.288 7.442 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.650 7.352 -6.433 1.00 0.00 H new ATOM 0 HG SER A 116 4.757 6.908 -4.156 1.00 0.00 H new ATOM 602 N THR A 117 8.104 5.526 -7.963 1.00 0.00 N ATOM 603 CA THR A 117 9.225 5.982 -8.770 1.00 0.00 C ATOM 604 C THR A 117 9.375 5.175 -10.058 1.00 0.00 C ATOM 605 O THR A 117 9.459 5.747 -11.145 1.00 0.00 O ATOM 606 CB THR A 117 10.531 5.914 -7.967 1.00 0.00 C ATOM 607 OG1 THR A 117 10.228 5.698 -6.584 1.00 0.00 O ATOM 608 CG2 THR A 117 11.338 7.194 -8.114 1.00 0.00 C ATOM 0 H THR A 117 8.273 4.661 -7.450 1.00 0.00 H new ATOM 0 HA THR A 117 9.017 7.016 -9.044 1.00 0.00 H new ATOM 0 HB THR A 117 11.128 5.089 -8.355 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.345 4.749 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.257 7.114 -7.533 1.00 0.00 H new ATOM 0 HG22 THR A 117 11.585 7.350 -9.164 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.752 8.038 -7.750 1.00 0.00 H new ATOM 616 N CYS A 118 9.394 3.850 -9.946 1.00 0.00 N ATOM 617 CA CYS A 118 9.590 2.997 -11.112 1.00 0.00 C ATOM 618 C CYS A 118 8.382 2.091 -11.334 1.00 0.00 C ATOM 619 O CYS A 118 8.337 1.321 -12.298 1.00 0.00 O ATOM 620 CB CYS A 118 10.864 2.159 -10.949 1.00 0.00 C ATOM 621 SG CYS A 118 11.942 2.696 -9.577 1.00 0.00 S ATOM 0 H CYS A 118 9.277 3.347 -9.066 1.00 0.00 H new ATOM 0 HA CYS A 118 9.700 3.636 -11.988 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.583 1.118 -10.789 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.432 2.197 -11.879 1.00 0.00 H new ATOM 0 HG CYS A 118 11.998 1.759 -8.677 1.00 0.00 H new ATOM 626 N ARG A 119 7.417 2.190 -10.422 1.00 0.00 N ATOM 627 CA ARG A 119 6.200 1.390 -10.472 1.00 0.00 C ATOM 628 C ARG A 119 6.524 -0.096 -10.356 1.00 0.00 C ATOM 629 O ARG A 119 5.940 -0.932 -11.052 1.00 0.00 O ATOM 630 CB ARG A 119 5.408 1.682 -11.748 1.00 0.00 C ATOM 631 CG ARG A 119 4.032 2.267 -11.480 1.00 0.00 C ATOM 632 CD ARG A 119 3.077 1.224 -10.929 1.00 0.00 C ATOM 633 NE ARG A 119 1.756 1.324 -11.543 1.00 0.00 N ATOM 634 CZ ARG A 119 0.664 1.735 -10.900 1.00 0.00 C ATOM 635 NH1 ARG A 119 0.713 2.014 -9.603 1.00 0.00 N ATOM 636 NH2 ARG A 119 -0.488 1.838 -11.548 1.00 0.00 N ATOM 0 H ARG A 119 7.459 2.828 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 119 5.577 1.666 -9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.975 2.375 -12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 119 5.298 0.760 -12.318 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.118 3.091 -10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.626 2.681 -12.403 1.00 0.00 H new ATOM 0 HD2 ARG A 119 3.485 0.228 -11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.987 1.347 -9.850 1.00 0.00 H new ATOM 0 HE ARG A 119 1.664 1.063 -12.525 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.590 1.914 -9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.127 2.328 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.538 1.603 -12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.324 2.153 -11.055 1.00 0.00 H new ATOM 650 N ASN A 120 7.456 -0.413 -9.474 1.00 0.00 N ATOM 651 CA ASN A 120 7.826 -1.791 -9.210 1.00 0.00 C ATOM 652 C ASN A 120 6.944 -2.333 -8.101 1.00 0.00 C ATOM 653 O ASN A 120 6.794 -1.697 -7.055 1.00 0.00 O ATOM 654 CB ASN A 120 9.303 -1.876 -8.812 1.00 0.00 C ATOM 655 CG ASN A 120 9.688 -3.220 -8.216 1.00 0.00 C ATOM 656 OD1 ASN A 120 10.289 -3.191 -7.040 1.00 0.00 O flip ATOM 657 ND2 ASN A 120 9.452 -4.275 -8.811 1.00 0.00 N flip ATOM 0 H ASN A 120 7.974 0.273 -8.925 1.00 0.00 H new ATOM 0 HA ASN A 120 7.684 -2.389 -10.110 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.920 -1.685 -9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.524 -1.090 -8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 120 8.986 -4.256 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.723 -5.166 -8.396 1.00 0.00 H new ATOM 664 N ARG A 121 6.332 -3.485 -8.338 1.00 0.00 N ATOM 665 CA ARG A 121 5.429 -4.066 -7.357 1.00 0.00 C ATOM 666 C ARG A 121 6.214 -4.613 -6.176 1.00 0.00 C ATOM 667 O ARG A 121 7.148 -5.402 -6.348 1.00 0.00 O ATOM 668 CB ARG A 121 4.574 -5.172 -7.980 1.00 0.00 C ATOM 669 CG ARG A 121 3.360 -5.537 -7.140 1.00 0.00 C ATOM 670 CD ARG A 121 2.129 -5.755 -8.002 1.00 0.00 C ATOM 671 NE ARG A 121 1.444 -6.997 -7.656 1.00 0.00 N ATOM 672 CZ ARG A 121 1.240 -8.002 -8.509 1.00 0.00 C ATOM 673 NH1 ARG A 121 1.567 -7.874 -9.791 1.00 0.00 N ATOM 674 NH2 ARG A 121 0.679 -9.125 -8.089 1.00 0.00 N ATOM 0 H ARG A 121 6.443 -4.031 -9.193 1.00 0.00 H new ATOM 0 HA ARG A 121 4.762 -3.279 -7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 121 4.241 -4.852 -8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.189 -6.060 -8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.570 -6.442 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.164 -4.744 -6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.445 -4.915 -7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.419 -5.779 -9.052 1.00 0.00 H new ATOM 0 HE ARG A 121 1.100 -7.103 -6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.977 -7.003 -10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.408 -8.647 -10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.402 -9.223 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.524 -9.893 -8.742 1.00 0.00 H new ATOM 688 N LEU A 122 5.830 -4.180 -4.985 1.00 0.00 N ATOM 689 CA LEU A 122 6.476 -4.617 -3.760 1.00 0.00 C ATOM 690 C LEU A 122 5.932 -5.976 -3.355 1.00 0.00 C ATOM 691 O LEU A 122 4.721 -6.192 -3.353 1.00 0.00 O ATOM 692 CB LEU A 122 6.244 -3.595 -2.643 1.00 0.00 C ATOM 693 CG LEU A 122 6.057 -2.146 -3.114 1.00 0.00 C ATOM 694 CD1 LEU A 122 5.341 -1.325 -2.051 1.00 0.00 C ATOM 695 CD2 LEU A 122 7.402 -1.518 -3.463 1.00 0.00 C ATOM 0 H LEU A 122 5.066 -3.519 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 122 7.549 -4.700 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.362 -3.893 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.090 -3.631 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 122 5.440 -2.154 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 122 5.218 -0.301 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.362 -1.761 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 122 5.930 -1.324 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.249 -0.491 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.045 -1.523 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.875 -2.090 -4.261 1.00 0.00 H new ATOM 707 N VAL A 123 6.824 -6.894 -3.018 1.00 0.00 N ATOM 708 CA VAL A 123 6.427 -8.268 -2.758 1.00 0.00 C ATOM 709 C VAL A 123 6.945 -8.733 -1.405 1.00 0.00 C ATOM 710 O VAL A 123 8.068 -8.403 -1.025 1.00 0.00 O ATOM 711 CB VAL A 123 6.959 -9.237 -3.845 1.00 0.00 C ATOM 712 CG1 VAL A 123 5.982 -10.381 -4.074 1.00 0.00 C ATOM 713 CG2 VAL A 123 7.234 -8.511 -5.154 1.00 0.00 C ATOM 0 H VAL A 123 7.823 -6.714 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 123 5.337 -8.285 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 123 7.901 -9.647 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.376 -11.048 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 123 5.847 -10.935 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 123 5.022 -9.980 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 123 7.606 -9.221 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 123 6.313 -8.057 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 123 7.981 -7.734 -4.989 1.00 0.00 H new ATOM 723 N PRO A 124 6.127 -9.478 -0.645 1.00 0.00 N ATOM 724 CA PRO A 124 6.581 -10.127 0.584 1.00 0.00 C ATOM 725 C PRO A 124 7.730 -11.081 0.293 1.00 0.00 C ATOM 726 O PRO A 124 7.547 -12.116 -0.352 1.00 0.00 O ATOM 727 CB PRO A 124 5.346 -10.891 1.075 1.00 0.00 C ATOM 728 CG PRO A 124 4.192 -10.217 0.422 1.00 0.00 C ATOM 729 CD PRO A 124 4.700 -9.729 -0.904 1.00 0.00 C ATOM 0 HA PRO A 124 6.956 -9.419 1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 124 5.397 -11.944 0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 124 5.263 -10.851 2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.359 -10.907 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 124 3.828 -9.389 1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.558 -10.473 -1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.184 -8.824 -1.225 1.00 0.00 H new ATOM 737 N GLY A 125 8.914 -10.722 0.761 1.00 0.00 N ATOM 738 CA GLY A 125 10.101 -11.486 0.442 1.00 0.00 C ATOM 739 C GLY A 125 11.042 -10.695 -0.436 1.00 0.00 C ATOM 740 O GLY A 125 12.156 -11.135 -0.739 1.00 0.00 O ATOM 0 H GLY A 125 9.075 -9.911 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 125 10.611 -11.771 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 125 9.817 -12.409 -0.064 1.00 0.00 H new ATOM 744 N ASP A 126 10.578 -9.525 -0.851 1.00 0.00 N ATOM 745 CA ASP A 126 11.384 -8.601 -1.632 1.00 0.00 C ATOM 746 C ASP A 126 11.573 -7.309 -0.855 1.00 0.00 C ATOM 747 O ASP A 126 10.859 -7.057 0.121 1.00 0.00 O ATOM 748 CB ASP A 126 10.728 -8.302 -2.982 1.00 0.00 C ATOM 749 CG ASP A 126 11.730 -8.328 -4.118 1.00 0.00 C ATOM 750 OD1 ASP A 126 12.762 -7.635 -4.022 1.00 0.00 O ATOM 751 OD2 ASP A 126 11.497 -9.056 -5.105 1.00 0.00 O ATOM 0 H ASP A 126 9.634 -9.191 -0.656 1.00 0.00 H new ATOM 0 HA ASP A 126 12.353 -9.064 -1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 126 9.943 -9.034 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 126 10.249 -7.324 -2.944 1.00 0.00 H new ATOM 756 N ARG A 127 12.511 -6.487 -1.290 1.00 0.00 N ATOM 757 CA ARG A 127 12.861 -5.280 -0.552 1.00 0.00 C ATOM 758 C ARG A 127 12.085 -4.073 -1.063 1.00 0.00 C ATOM 759 O ARG A 127 12.014 -3.825 -2.268 1.00 0.00 O ATOM 760 CB ARG A 127 14.370 -5.019 -0.623 1.00 0.00 C ATOM 761 CG ARG A 127 15.106 -5.404 0.654 1.00 0.00 C ATOM 762 CD ARG A 127 16.620 -5.421 0.466 1.00 0.00 C ATOM 763 NE ARG A 127 17.014 -5.856 -0.875 1.00 0.00 N ATOM 764 CZ ARG A 127 17.108 -7.134 -1.255 1.00 0.00 C ATOM 765 NH1 ARG A 127 16.907 -8.117 -0.380 1.00 0.00 N ATOM 766 NH2 ARG A 127 17.426 -7.421 -2.507 1.00 0.00 N ATOM 0 H ARG A 127 13.044 -6.630 -2.148 1.00 0.00 H new ATOM 0 HA ARG A 127 12.585 -5.438 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.790 -5.578 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.540 -3.962 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.848 -4.701 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.771 -6.389 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 127 17.017 -4.423 0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 127 17.067 -6.085 1.206 1.00 0.00 H new ATOM 0 HE ARG A 127 17.231 -5.137 -1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 127 16.679 -7.898 0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.981 -9.089 -0.679 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.598 -6.669 -3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 127 17.500 -8.394 -2.804 1.00 0.00 H new ATOM 780 N PHE A 128 11.499 -3.332 -0.134 1.00 0.00 N ATOM 781 CA PHE A 128 10.713 -2.157 -0.466 1.00 0.00 C ATOM 782 C PHE A 128 11.025 -1.047 0.530 1.00 0.00 C ATOM 783 O PHE A 128 11.729 -1.281 1.510 1.00 0.00 O ATOM 784 CB PHE A 128 9.207 -2.507 -0.482 1.00 0.00 C ATOM 785 CG PHE A 128 8.453 -2.178 0.788 1.00 0.00 C ATOM 786 CD1 PHE A 128 8.841 -2.706 2.013 1.00 0.00 C ATOM 787 CD2 PHE A 128 7.354 -1.336 0.749 1.00 0.00 C ATOM 788 CE1 PHE A 128 8.147 -2.398 3.167 1.00 0.00 C ATOM 789 CE2 PHE A 128 6.657 -1.025 1.902 1.00 0.00 C ATOM 790 CZ PHE A 128 7.055 -1.557 3.112 1.00 0.00 C ATOM 0 H PHE A 128 11.555 -3.528 0.865 1.00 0.00 H new ATOM 0 HA PHE A 128 10.974 -1.806 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.737 -1.979 -1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.101 -3.573 -0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 128 9.695 -3.365 2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 128 7.037 -0.917 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 128 8.459 -2.816 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.802 -0.367 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 128 6.512 -1.315 4.014 1.00 0.00 H new ATOM 800 N HIS A 129 10.524 0.151 0.284 1.00 0.00 N ATOM 801 CA HIS A 129 10.754 1.264 1.195 1.00 0.00 C ATOM 802 C HIS A 129 9.448 1.990 1.503 1.00 0.00 C ATOM 803 O HIS A 129 8.658 2.273 0.604 1.00 0.00 O ATOM 804 CB HIS A 129 11.784 2.236 0.608 1.00 0.00 C ATOM 805 CG HIS A 129 13.175 1.676 0.573 1.00 0.00 C ATOM 806 ND1 HIS A 129 13.830 1.304 1.723 1.00 0.00 N ATOM 807 CD2 HIS A 129 13.973 1.417 -0.489 1.00 0.00 C ATOM 808 CE1 HIS A 129 15.000 0.829 1.335 1.00 0.00 C ATOM 809 NE2 HIS A 129 15.132 0.876 0.003 1.00 0.00 N ATOM 0 H HIS A 129 9.958 0.380 -0.533 1.00 0.00 H new ATOM 0 HA HIS A 129 11.150 0.864 2.128 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.483 2.506 -0.404 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.784 3.154 1.196 1.00 0.00 H new ATOM 0 HD1 HIS A 129 13.484 1.379 2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.740 1.602 -1.527 1.00 0.00 H new ATOM 0 HE1 HIS A 129 15.755 0.450 2.008 1.00 0.00 H new ATOM 817 N TYR A 130 9.218 2.273 2.778 1.00 0.00 N ATOM 818 CA TYR A 130 8.019 2.959 3.216 1.00 0.00 C ATOM 819 C TYR A 130 8.417 4.186 4.026 1.00 0.00 C ATOM 820 O TYR A 130 8.786 4.076 5.195 1.00 0.00 O ATOM 821 CB TYR A 130 7.168 2.001 4.059 1.00 0.00 C ATOM 822 CG TYR A 130 5.808 2.532 4.450 1.00 0.00 C ATOM 823 CD1 TYR A 130 4.785 2.635 3.517 1.00 0.00 C ATOM 824 CD2 TYR A 130 5.546 2.922 5.756 1.00 0.00 C ATOM 825 CE1 TYR A 130 3.535 3.104 3.878 1.00 0.00 C ATOM 826 CE2 TYR A 130 4.301 3.388 6.128 1.00 0.00 C ATOM 827 CZ TYR A 130 3.299 3.486 5.185 1.00 0.00 C ATOM 828 OH TYR A 130 2.054 3.949 5.555 1.00 0.00 O ATOM 0 H TYR A 130 9.859 2.032 3.534 1.00 0.00 H new ATOM 0 HA TYR A 130 7.430 3.281 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 130 7.033 1.073 3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.719 1.752 4.966 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.968 2.344 2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 130 6.331 2.860 6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 130 2.747 3.171 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.112 3.674 7.152 1.00 0.00 H new ATOM 0 HH TYR A 130 2.059 4.173 6.509 1.00 0.00 H new ATOM 838 N ILE A 131 8.350 5.353 3.398 1.00 0.00 N ATOM 839 CA ILE A 131 8.748 6.601 4.047 1.00 0.00 C ATOM 840 C ILE A 131 7.662 7.652 3.887 1.00 0.00 C ATOM 841 O ILE A 131 7.181 7.876 2.780 1.00 0.00 O ATOM 842 CB ILE A 131 10.077 7.160 3.483 1.00 0.00 C ATOM 843 CG1 ILE A 131 10.972 6.028 2.965 1.00 0.00 C ATOM 844 CG2 ILE A 131 10.800 7.967 4.553 1.00 0.00 C ATOM 845 CD1 ILE A 131 12.148 6.507 2.147 1.00 0.00 C ATOM 0 H ILE A 131 8.023 5.464 2.438 1.00 0.00 H new ATOM 0 HA ILE A 131 8.896 6.371 5.102 1.00 0.00 H new ATOM 0 HB ILE A 131 9.847 7.816 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 131 11.342 5.452 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.371 5.351 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 131 11.734 8.356 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 131 10.169 8.797 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 131 11.016 7.327 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 131 12.734 5.650 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.787 7.057 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 131 12.773 7.160 2.756 1.00 0.00 H new ATOM 857 N ASN A 132 7.262 8.267 5.003 1.00 0.00 N ATOM 858 CA ASN A 132 6.233 9.320 5.005 1.00 0.00 C ATOM 859 C ASN A 132 4.887 8.769 4.549 1.00 0.00 C ATOM 860 O ASN A 132 3.989 9.523 4.166 1.00 0.00 O ATOM 861 CB ASN A 132 6.639 10.491 4.099 1.00 0.00 C ATOM 862 CG ASN A 132 7.753 11.335 4.690 1.00 0.00 C ATOM 863 OD1 ASN A 132 8.065 11.235 5.878 1.00 0.00 O ATOM 864 ND2 ASN A 132 8.365 12.172 3.862 1.00 0.00 N ATOM 0 H ASN A 132 7.637 8.054 5.927 1.00 0.00 H new ATOM 0 HA ASN A 132 6.141 9.681 6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 132 6.958 10.102 3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 132 5.769 11.122 3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 132 9.124 12.763 4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 132 8.077 12.225 2.885 1.00 0.00 H new ATOM 871 N GLY A 133 4.753 7.451 4.598 1.00 0.00 N ATOM 872 CA GLY A 133 3.550 6.806 4.120 1.00 0.00 C ATOM 873 C GLY A 133 3.556 6.624 2.611 1.00 0.00 C ATOM 874 O GLY A 133 2.501 6.611 1.976 1.00 0.00 O ATOM 0 H GLY A 133 5.462 6.815 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 133 3.446 5.833 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.682 7.399 4.409 1.00 0.00 H new ATOM 878 N SER A 134 4.741 6.457 2.039 1.00 0.00 N ATOM 879 CA SER A 134 4.878 6.340 0.596 1.00 0.00 C ATOM 880 C SER A 134 5.639 5.070 0.252 1.00 0.00 C ATOM 881 O SER A 134 6.415 4.568 1.069 1.00 0.00 O ATOM 882 CB SER A 134 5.597 7.566 0.030 1.00 0.00 C ATOM 883 OG SER A 134 5.501 8.669 0.919 1.00 0.00 O ATOM 0 H SER A 134 5.620 6.400 2.553 1.00 0.00 H new ATOM 0 HA SER A 134 3.886 6.288 0.148 1.00 0.00 H new ATOM 0 HB2 SER A 134 6.646 7.327 -0.147 1.00 0.00 H new ATOM 0 HB3 SER A 134 5.164 7.833 -0.934 1.00 0.00 H new ATOM 0 HG SER A 134 6.279 8.678 1.515 1.00 0.00 H new ATOM 889 N LEU A 135 5.422 4.559 -0.949 1.00 0.00 N ATOM 890 CA LEU A 135 6.006 3.291 -1.353 1.00 0.00 C ATOM 891 C LEU A 135 7.114 3.494 -2.373 1.00 0.00 C ATOM 892 O LEU A 135 6.913 4.119 -3.419 1.00 0.00 O ATOM 893 CB LEU A 135 4.928 2.372 -1.930 1.00 0.00 C ATOM 894 CG LEU A 135 3.646 2.286 -1.103 1.00 0.00 C ATOM 895 CD1 LEU A 135 2.512 1.711 -1.937 1.00 0.00 C ATOM 896 CD2 LEU A 135 3.880 1.446 0.144 1.00 0.00 C ATOM 0 H LEU A 135 4.844 5.004 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 135 6.440 2.825 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.674 2.718 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 135 5.343 1.370 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 135 3.362 3.291 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.607 1.657 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.334 2.352 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.781 0.711 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.959 1.392 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.185 0.441 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 135 4.664 1.902 0.748 1.00 0.00 H new ATOM 908 N PHE A 136 8.287 2.985 -2.039 1.00 0.00 N ATOM 909 CA PHE A 136 9.427 2.977 -2.939 1.00 0.00 C ATOM 910 C PHE A 136 9.996 1.565 -2.985 1.00 0.00 C ATOM 911 O PHE A 136 9.541 0.695 -2.238 1.00 0.00 O ATOM 912 CB PHE A 136 10.491 3.985 -2.480 1.00 0.00 C ATOM 913 CG PHE A 136 9.925 5.323 -2.089 1.00 0.00 C ATOM 914 CD1 PHE A 136 9.551 6.241 -3.061 1.00 0.00 C ATOM 915 CD2 PHE A 136 9.767 5.662 -0.755 1.00 0.00 C ATOM 916 CE1 PHE A 136 9.032 7.470 -2.708 1.00 0.00 C ATOM 917 CE2 PHE A 136 9.248 6.891 -0.397 1.00 0.00 C ATOM 918 CZ PHE A 136 8.881 7.795 -1.374 1.00 0.00 C ATOM 0 H PHE A 136 8.476 2.563 -1.130 1.00 0.00 H new ATOM 0 HA PHE A 136 9.110 3.275 -3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 136 11.033 3.567 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 136 11.215 4.127 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.668 5.991 -4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.053 4.958 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 136 8.745 8.176 -3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.129 7.145 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 136 8.476 8.756 -1.095 1.00 0.00 H new ATOM 928 N CYS A 137 10.983 1.326 -3.834 1.00 0.00 N ATOM 929 CA CYS A 137 11.492 -0.020 -4.012 1.00 0.00 C ATOM 930 C CYS A 137 13.004 -0.074 -3.843 1.00 0.00 C ATOM 931 O CYS A 137 13.650 0.922 -3.517 1.00 0.00 O ATOM 932 CB CYS A 137 11.084 -0.563 -5.385 1.00 0.00 C ATOM 933 SG CYS A 137 12.092 0.037 -6.783 1.00 0.00 S ATOM 0 H CYS A 137 11.441 2.038 -4.403 1.00 0.00 H new ATOM 0 HA CYS A 137 11.053 -0.649 -3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 137 11.137 -1.651 -5.359 1.00 0.00 H new ATOM 0 HB3 CYS A 137 10.042 -0.299 -5.568 1.00 0.00 H new ATOM 0 HG CYS A 137 11.657 -0.489 -7.889 1.00 0.00 H new ATOM 938 N GLU A 138 13.558 -1.252 -4.075 1.00 0.00 N ATOM 939 CA GLU A 138 14.986 -1.471 -3.961 1.00 0.00 C ATOM 940 C GLU A 138 15.718 -0.811 -5.129 1.00 0.00 C ATOM 941 O GLU A 138 16.886 -0.431 -5.008 1.00 0.00 O ATOM 942 CB GLU A 138 15.266 -2.980 -3.914 1.00 0.00 C ATOM 943 CG GLU A 138 16.588 -3.395 -4.536 1.00 0.00 C ATOM 944 CD GLU A 138 17.491 -4.099 -3.550 1.00 0.00 C ATOM 945 OE1 GLU A 138 17.722 -3.543 -2.454 1.00 0.00 O ATOM 946 OE2 GLU A 138 17.960 -5.214 -3.857 1.00 0.00 O ATOM 0 H GLU A 138 13.030 -2.081 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 138 15.353 -1.018 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 138 15.249 -3.308 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 138 14.458 -3.503 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 138 16.397 -4.053 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 138 17.097 -2.513 -4.925 1.00 0.00 H new ATOM 953 N HIS A 139 15.014 -0.647 -6.241 1.00 0.00 N ATOM 954 CA HIS A 139 15.616 -0.115 -7.452 1.00 0.00 C ATOM 955 C HIS A 139 15.791 1.393 -7.350 1.00 0.00 C ATOM 956 O HIS A 139 16.807 1.935 -7.789 1.00 0.00 O ATOM 957 CB HIS A 139 14.762 -0.471 -8.673 1.00 0.00 C ATOM 958 CG HIS A 139 15.484 -0.322 -9.978 1.00 0.00 C ATOM 959 ND1 HIS A 139 16.634 -1.026 -10.246 1.00 0.00 N ATOM 960 CD2 HIS A 139 15.183 0.458 -11.047 1.00 0.00 C ATOM 961 CE1 HIS A 139 17.005 -0.663 -11.463 1.00 0.00 C ATOM 962 NE2 HIS A 139 16.159 0.234 -11.986 1.00 0.00 N ATOM 0 H HIS A 139 14.024 -0.876 -6.328 1.00 0.00 H new ATOM 0 HA HIS A 139 16.601 -0.566 -7.571 1.00 0.00 H new ATOM 0 HB2 HIS A 139 14.415 -1.500 -8.575 1.00 0.00 H new ATOM 0 HB3 HIS A 139 13.876 0.164 -8.683 1.00 0.00 H new ATOM 0 HD2 HIS A 139 14.339 1.126 -11.141 1.00 0.00 H new ATOM 0 HE1 HIS A 139 17.880 -1.042 -11.971 1.00 0.00 H new ATOM 0 HE2 HIS A 139 16.227 0.668 -12.907 1.00 0.00 H new ATOM 970 N ASP A 140 14.812 2.074 -6.763 1.00 0.00 N ATOM 971 CA ASP A 140 14.915 3.521 -6.602 1.00 0.00 C ATOM 972 C ASP A 140 15.687 3.860 -5.331 1.00 0.00 C ATOM 973 O ASP A 140 16.728 4.514 -5.392 1.00 0.00 O ATOM 974 CB ASP A 140 13.538 4.222 -6.638 1.00 0.00 C ATOM 975 CG ASP A 140 12.455 3.579 -5.781 1.00 0.00 C ATOM 976 OD1 ASP A 140 12.676 3.401 -4.571 1.00 0.00 O ATOM 977 OD2 ASP A 140 11.352 3.304 -6.310 1.00 0.00 O ATOM 0 H ASP A 140 13.955 1.659 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 140 15.471 3.906 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.667 5.255 -6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.191 4.251 -7.671 1.00 0.00 H new ATOM 982 N ARG A 141 15.185 3.393 -4.195 1.00 0.00 N ATOM 983 CA ARG A 141 15.866 3.519 -2.910 1.00 0.00 C ATOM 984 C ARG A 141 16.210 4.973 -2.585 1.00 0.00 C ATOM 985 O ARG A 141 17.375 5.368 -2.639 1.00 0.00 O ATOM 986 CB ARG A 141 17.132 2.658 -2.917 1.00 0.00 C ATOM 987 CG ARG A 141 17.729 2.403 -1.540 1.00 0.00 C ATOM 988 CD ARG A 141 19.108 1.763 -1.649 1.00 0.00 C ATOM 989 NE ARG A 141 19.212 0.521 -0.872 1.00 0.00 N ATOM 990 CZ ARG A 141 18.773 -0.673 -1.298 1.00 0.00 C ATOM 991 NH1 ARG A 141 18.177 -0.795 -2.477 1.00 0.00 N ATOM 992 NH2 ARG A 141 18.934 -1.756 -0.551 1.00 0.00 N ATOM 0 H ARG A 141 14.287 2.912 -4.138 1.00 0.00 H new ATOM 0 HA ARG A 141 15.188 3.169 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 141 16.902 1.700 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 141 17.883 3.143 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 141 17.803 3.343 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 141 17.067 1.753 -0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 141 19.326 1.553 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 141 19.862 2.470 -1.302 1.00 0.00 H new ATOM 0 HE ARG A 141 19.646 0.569 0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 141 18.048 0.024 -3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 141 17.848 -1.708 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 141 19.395 -1.686 0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 141 18.597 -2.659 -0.883 1.00 0.00 H new ATOM 1006 N PRO A 142 15.199 5.793 -2.246 1.00 0.00 N ATOM 1007 CA PRO A 142 15.419 7.188 -1.842 1.00 0.00 C ATOM 1008 C PRO A 142 16.404 7.295 -0.679 1.00 0.00 C ATOM 1009 O PRO A 142 16.041 7.105 0.480 1.00 0.00 O ATOM 1010 CB PRO A 142 14.032 7.657 -1.413 1.00 0.00 C ATOM 1011 CG PRO A 142 13.088 6.778 -2.151 1.00 0.00 C ATOM 1012 CD PRO A 142 13.764 5.441 -2.252 1.00 0.00 C ATOM 0 HA PRO A 142 15.852 7.786 -2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 142 13.899 7.564 -0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 142 13.874 8.706 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 142 12.137 6.696 -1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 142 12.871 7.181 -3.140 1.00 0.00 H new ATOM 0 HD2 PRO A 142 13.504 4.793 -1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 142 13.482 4.914 -3.163 1.00 0.00 H new ATOM 1020 N THR A 143 17.646 7.611 -1.003 1.00 0.00 N ATOM 1021 CA THR A 143 18.727 7.583 -0.039 1.00 0.00 C ATOM 1022 C THR A 143 18.926 8.941 0.616 1.00 0.00 C ATOM 1023 O THR A 143 19.478 9.035 1.712 1.00 0.00 O ATOM 1024 CB THR A 143 20.032 7.134 -0.720 1.00 0.00 C ATOM 1025 OG1 THR A 143 19.754 6.750 -2.078 1.00 0.00 O ATOM 1026 CG2 THR A 143 20.652 5.962 0.025 1.00 0.00 C ATOM 0 H THR A 143 17.931 7.893 -1.941 1.00 0.00 H new ATOM 0 HA THR A 143 18.459 6.869 0.740 1.00 0.00 H new ATOM 0 HB THR A 143 20.738 7.965 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 143 18.974 6.157 -2.097 1.00 0.00 H new ATOM 0 HG21 THR A 143 21.573 5.661 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 143 20.874 6.259 1.050 1.00 0.00 H new ATOM 0 HG23 THR A 143 19.953 5.125 0.033 1.00 0.00 H new ATOM 1034 N ALA A 144 18.450 9.991 -0.045 1.00 0.00 N ATOM 1035 CA ALA A 144 18.608 11.346 0.467 1.00 0.00 C ATOM 1036 C ALA A 144 17.779 11.570 1.731 1.00 0.00 C ATOM 1037 O ALA A 144 18.102 12.433 2.551 1.00 0.00 O ATOM 1038 CB ALA A 144 18.230 12.364 -0.596 1.00 0.00 C ATOM 0 H ALA A 144 17.953 9.929 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 144 19.658 11.478 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 144 18.354 13.370 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 144 18.874 12.237 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 144 17.191 12.215 -0.889 1.00 0.00 H new ATOM 1044 N LEU A 145 16.720 10.785 1.891 1.00 0.00 N ATOM 1045 CA LEU A 145 15.832 10.926 3.039 1.00 0.00 C ATOM 1046 C LEU A 145 15.370 9.564 3.552 1.00 0.00 C ATOM 1047 O LEU A 145 14.178 9.267 3.577 1.00 0.00 O ATOM 1048 CB LEU A 145 14.618 11.787 2.675 1.00 0.00 C ATOM 1049 CG LEU A 145 14.426 13.042 3.533 1.00 0.00 C ATOM 1050 CD1 LEU A 145 13.171 13.782 3.115 1.00 0.00 C ATOM 1051 CD2 LEU A 145 14.361 12.686 5.012 1.00 0.00 C ATOM 0 H LEU A 145 16.455 10.045 1.241 1.00 0.00 H new ATOM 0 HA LEU A 145 16.393 11.418 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 145 14.708 12.090 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 145 13.721 11.173 2.753 1.00 0.00 H new ATOM 0 HG LEU A 145 15.286 13.693 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 145 13.049 14.671 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 145 13.254 14.077 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 145 12.306 13.131 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 145 14.224 13.594 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 145 13.523 12.011 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 145 15.289 12.198 5.310 1.00 0.00 H new ATOM 1063 N ILE A 146 16.321 8.741 3.960 1.00 0.00 N ATOM 1064 CA ILE A 146 16.005 7.447 4.547 1.00 0.00 C ATOM 1065 C ILE A 146 16.698 7.301 5.899 1.00 0.00 C ATOM 1066 O ILE A 146 17.905 7.053 5.984 1.00 0.00 O ATOM 1067 CB ILE A 146 16.394 6.274 3.611 1.00 0.00 C ATOM 1068 CG1 ILE A 146 16.184 4.928 4.312 1.00 0.00 C ATOM 1069 CG2 ILE A 146 17.831 6.414 3.135 1.00 0.00 C ATOM 1070 CD1 ILE A 146 15.485 3.903 3.447 1.00 0.00 C ATOM 0 H ILE A 146 17.318 8.944 3.896 1.00 0.00 H new ATOM 0 HA ILE A 146 14.925 7.404 4.689 1.00 0.00 H new ATOM 0 HB ILE A 146 15.743 6.309 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 146 17.152 4.533 4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 146 15.600 5.086 5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 146 18.080 5.579 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 146 17.944 7.350 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 146 18.501 6.413 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 146 15.369 2.974 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 146 14.503 4.279 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 146 16.079 3.717 2.552 1.00 0.00 H new ATOM 1146 N GLY A 207 17.000 -2.961 5.298 1.00 0.00 N ATOM 1147 CA GLY A 207 16.416 -4.272 5.097 1.00 0.00 C ATOM 1148 C GLY A 207 14.916 -4.283 5.313 1.00 0.00 C ATOM 1149 O GLY A 207 14.402 -5.037 6.144 1.00 0.00 O ATOM 0 HA2 GLY A 207 16.636 -4.612 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 207 16.883 -4.982 5.780 1.00 0.00 H new ATOM 1153 N SER A 208 14.216 -3.443 4.568 1.00 0.00 N ATOM 1154 CA SER A 208 12.767 -3.351 4.668 1.00 0.00 C ATOM 1155 C SER A 208 12.094 -4.318 3.693 1.00 0.00 C ATOM 1156 O SER A 208 12.431 -4.357 2.506 1.00 0.00 O ATOM 1157 CB SER A 208 12.332 -1.913 4.392 1.00 0.00 C ATOM 1158 OG SER A 208 13.433 -1.129 3.954 1.00 0.00 O ATOM 0 H SER A 208 14.630 -2.811 3.883 1.00 0.00 H new ATOM 0 HA SER A 208 12.459 -3.630 5.676 1.00 0.00 H new ATOM 0 HB2 SER A 208 11.549 -1.904 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 208 11.906 -1.477 5.296 1.00 0.00 H new ATOM 0 HG SER A 208 13.298 -0.869 3.019 1.00 0.00 H new ATOM 1164 N ILE A 404 11.147 -5.098 4.199 1.00 0.00 N ATOM 1165 CA ILE A 404 10.472 -6.116 3.403 1.00 0.00 C ATOM 1166 C ILE A 404 8.974 -5.833 3.360 1.00 0.00 C ATOM 1167 O ILE A 404 8.376 -5.469 4.375 1.00 0.00 O ATOM 1168 CB ILE A 404 10.724 -7.536 3.977 1.00 0.00 C ATOM 1169 CG1 ILE A 404 12.227 -7.857 3.977 1.00 0.00 C ATOM 1170 CG2 ILE A 404 9.953 -8.591 3.192 1.00 0.00 C ATOM 1171 CD1 ILE A 404 12.831 -7.982 2.592 1.00 0.00 C ATOM 0 H ILE A 404 10.827 -5.044 5.166 1.00 0.00 H new ATOM 0 HA ILE A 404 10.878 -6.081 2.392 1.00 0.00 H new ATOM 0 HB ILE A 404 10.364 -7.552 5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 404 12.755 -7.075 4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 404 12.389 -8.789 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 404 10.149 -9.576 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 404 8.886 -8.378 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 404 10.273 -8.575 2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 404 13.894 -8.209 2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 404 12.331 -8.784 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 404 12.703 -7.043 2.053 1.00 0.00 H new ATOM 1183 N ALA A 405 8.376 -5.986 2.181 1.00 0.00 N ATOM 1184 CA ALA A 405 6.959 -5.693 1.991 1.00 0.00 C ATOM 1185 C ALA A 405 6.082 -6.588 2.861 1.00 0.00 C ATOM 1186 O ALA A 405 6.299 -7.799 2.939 1.00 0.00 O ATOM 1187 CB ALA A 405 6.578 -5.833 0.524 1.00 0.00 C ATOM 0 H ALA A 405 8.853 -6.312 1.341 1.00 0.00 H new ATOM 0 HA ALA A 405 6.788 -4.662 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 405 5.518 -5.611 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 405 7.167 -5.136 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 405 6.776 -6.852 0.192 1.00 0.00 H new ATOM 1193 N PRO A 406 5.094 -5.988 3.545 1.00 0.00 N ATOM 1194 CA PRO A 406 4.158 -6.717 4.403 1.00 0.00 C ATOM 1195 C PRO A 406 3.215 -7.611 3.606 1.00 0.00 C ATOM 1196 O PRO A 406 3.177 -7.561 2.375 1.00 0.00 O ATOM 1197 CB PRO A 406 3.359 -5.610 5.110 1.00 0.00 C ATOM 1198 CG PRO A 406 4.105 -4.346 4.848 1.00 0.00 C ATOM 1199 CD PRO A 406 4.816 -4.547 3.542 1.00 0.00 C ATOM 0 HA PRO A 406 4.684 -7.383 5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 406 2.342 -5.552 4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 406 3.282 -5.805 6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 406 3.425 -3.496 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 406 4.814 -4.138 5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 406 4.196 -4.256 2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 406 5.731 -3.958 3.484 1.00 0.00 H new ATOM 1207 N PHE A 407 2.446 -8.416 4.321 1.00 0.00 N ATOM 1208 CA PHE A 407 1.503 -9.333 3.701 1.00 0.00 C ATOM 1209 C PHE A 407 0.105 -8.718 3.684 1.00 0.00 C ATOM 1210 O PHE A 407 -0.188 -7.811 4.464 1.00 0.00 O ATOM 1211 CB PHE A 407 1.476 -10.663 4.465 1.00 0.00 C ATOM 1212 CG PHE A 407 2.592 -11.597 4.102 1.00 0.00 C ATOM 1213 CD1 PHE A 407 3.826 -11.493 4.721 1.00 0.00 C ATOM 1214 CD2 PHE A 407 2.409 -12.583 3.144 1.00 0.00 C ATOM 1215 CE1 PHE A 407 4.856 -12.353 4.395 1.00 0.00 C ATOM 1216 CE2 PHE A 407 3.436 -13.446 2.813 1.00 0.00 C ATOM 1217 CZ PHE A 407 4.661 -13.330 3.438 1.00 0.00 C ATOM 0 H PHE A 407 2.457 -8.453 5.340 1.00 0.00 H new ATOM 0 HA PHE A 407 1.822 -9.520 2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 407 1.521 -10.457 5.534 1.00 0.00 H new ATOM 0 HB3 PHE A 407 0.524 -11.160 4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 407 3.985 -10.730 5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 407 1.453 -12.677 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 407 5.813 -12.262 4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 407 3.280 -14.210 2.066 1.00 0.00 H new ATOM 0 HZ PHE A 407 5.466 -14.002 3.179 1.00 0.00 H new ATOM 1227 N PRO A 408 -0.772 -9.187 2.788 1.00 0.00 N ATOM 1228 CA PRO A 408 -2.139 -8.703 2.698 1.00 0.00 C ATOM 1229 C PRO A 408 -3.105 -9.473 3.598 1.00 0.00 C ATOM 1230 O PRO A 408 -3.155 -10.704 3.566 1.00 0.00 O ATOM 1231 CB PRO A 408 -2.495 -8.918 1.224 1.00 0.00 C ATOM 1232 CG PRO A 408 -1.470 -9.866 0.667 1.00 0.00 C ATOM 1233 CD PRO A 408 -0.507 -10.213 1.779 1.00 0.00 C ATOM 0 HA PRO A 408 -2.220 -7.667 3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -3.499 -9.331 1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -2.484 -7.973 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -1.951 -10.766 0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -0.940 -9.408 -0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 408 -0.686 -11.215 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 408 0.528 -10.184 1.438 1.00 0.00 H new ATOM 1241 N GLU A 409 -3.867 -8.738 4.397 1.00 0.00 N ATOM 1242 CA GLU A 409 -4.875 -9.323 5.276 1.00 0.00 C ATOM 1243 C GLU A 409 -6.195 -8.581 5.101 1.00 0.00 C ATOM 1244 O GLU A 409 -6.219 -7.480 4.559 1.00 0.00 O ATOM 1245 CB GLU A 409 -4.434 -9.258 6.744 1.00 0.00 C ATOM 1246 CG GLU A 409 -2.930 -9.107 6.942 1.00 0.00 C ATOM 1247 CD GLU A 409 -2.530 -9.124 8.403 1.00 0.00 C ATOM 1248 OE1 GLU A 409 -2.321 -10.224 8.960 1.00 0.00 O ATOM 1249 OE2 GLU A 409 -2.415 -8.038 9.004 1.00 0.00 O ATOM 0 H GLU A 409 -3.805 -7.722 4.455 1.00 0.00 H new ATOM 0 HA GLU A 409 -5.001 -10.371 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -4.938 -8.420 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -4.766 -10.164 7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -2.416 -9.913 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -2.600 -8.172 6.490 1.00 0.00 H new ATOM 1256 N ALA A 410 -7.295 -9.171 5.545 1.00 0.00 N ATOM 1257 CA ALA A 410 -8.594 -8.517 5.423 1.00 0.00 C ATOM 1258 C ALA A 410 -8.746 -7.435 6.488 1.00 0.00 C ATOM 1259 O ALA A 410 -8.533 -7.688 7.675 1.00 0.00 O ATOM 1260 CB ALA A 410 -9.726 -9.529 5.526 1.00 0.00 C ATOM 0 H ALA A 410 -7.318 -10.090 5.988 1.00 0.00 H new ATOM 0 HA ALA A 410 -8.648 -8.049 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 410 -10.683 -9.015 5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 410 -9.629 -10.265 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 410 -9.678 -10.032 6.492 1.00 0.00 H new ATOM 1266 N ALA A 411 -9.101 -6.229 6.057 1.00 0.00 N ATOM 1267 CA ALA A 411 -9.220 -5.102 6.969 1.00 0.00 C ATOM 1268 C ALA A 411 -10.680 -4.751 7.239 1.00 0.00 C ATOM 1269 O ALA A 411 -11.264 -5.196 8.229 1.00 0.00 O ATOM 1270 CB ALA A 411 -8.476 -3.897 6.414 1.00 0.00 C ATOM 0 H ALA A 411 -9.311 -6.009 5.083 1.00 0.00 H new ATOM 0 HA ALA A 411 -8.770 -5.391 7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -8.572 -3.060 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -7.422 -4.146 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -8.900 -3.621 5.448 1.00 0.00 H new ATOM 1276 N LEU A 412 -11.267 -3.960 6.354 1.00 0.00 N ATOM 1277 CA LEU A 412 -12.624 -3.487 6.540 1.00 0.00 C ATOM 1278 C LEU A 412 -13.428 -3.700 5.270 1.00 0.00 C ATOM 1279 O LEU A 412 -12.892 -3.572 4.176 1.00 0.00 O ATOM 1280 CB LEU A 412 -12.616 -2.001 6.895 1.00 0.00 C ATOM 1281 CG LEU A 412 -12.415 -1.681 8.375 1.00 0.00 C ATOM 1282 CD1 LEU A 412 -11.166 -0.833 8.566 1.00 0.00 C ATOM 1283 CD2 LEU A 412 -13.647 -0.974 8.927 1.00 0.00 C ATOM 0 H LEU A 412 -10.820 -3.633 5.498 1.00 0.00 H new ATOM 0 HA LEU A 412 -13.082 -4.049 7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -11.825 -1.513 6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -13.560 -1.563 6.571 1.00 0.00 H new ATOM 0 HG LEU A 412 -12.278 -2.611 8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -11.035 -0.612 9.625 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -10.297 -1.378 8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -11.271 0.099 8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -13.495 -0.750 9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -13.810 -0.046 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -14.518 -1.620 8.815 1.00 0.00 H new ATOM 1295 N PRO A 413 -14.719 -4.031 5.399 1.00 0.00 N ATOM 1296 CA PRO A 413 -15.617 -4.179 4.258 1.00 0.00 C ATOM 1297 C PRO A 413 -16.097 -2.815 3.756 1.00 0.00 C ATOM 1298 O PRO A 413 -16.262 -1.884 4.547 1.00 0.00 O ATOM 1299 CB PRO A 413 -16.800 -4.987 4.821 1.00 0.00 C ATOM 1300 CG PRO A 413 -16.462 -5.284 6.248 1.00 0.00 C ATOM 1301 CD PRO A 413 -15.419 -4.284 6.656 1.00 0.00 C ATOM 0 HA PRO A 413 -15.134 -4.663 3.409 1.00 0.00 H new ATOM 0 HB2 PRO A 413 -17.728 -4.419 4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 413 -16.946 -5.908 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 413 -17.346 -5.203 6.881 1.00 0.00 H new ATOM 0 HG3 PRO A 413 -16.086 -6.302 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 413 -15.864 -3.376 7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 413 -14.751 -4.682 7.420 1.00 0.00 H new ATOM 1309 N THR A 414 -16.317 -2.695 2.456 1.00 0.00 N ATOM 1310 CA THR A 414 -16.764 -1.435 1.877 1.00 0.00 C ATOM 1311 C THR A 414 -18.281 -1.313 1.928 1.00 0.00 C ATOM 1312 O THR A 414 -18.999 -2.314 1.852 1.00 0.00 O ATOM 1313 CB THR A 414 -16.296 -1.293 0.422 1.00 0.00 C ATOM 1314 OG1 THR A 414 -15.393 -2.359 0.097 1.00 0.00 O ATOM 1315 CG2 THR A 414 -15.609 0.051 0.208 1.00 0.00 C ATOM 0 H THR A 414 -16.194 -3.451 1.783 1.00 0.00 H new ATOM 0 HA THR A 414 -16.321 -0.637 2.473 1.00 0.00 H new ATOM 0 HB THR A 414 -17.167 -1.345 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 414 -14.717 -2.441 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 414 -15.284 0.133 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 414 -16.307 0.857 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 414 -14.743 0.126 0.866 1.00 0.00 H new ATOM 1323 N SER A 415 -18.763 -0.090 2.078 1.00 0.00 N ATOM 1324 CA SER A 415 -20.195 0.164 2.096 1.00 0.00 C ATOM 1325 C SER A 415 -20.779 0.066 0.685 1.00 0.00 C ATOM 1326 O SER A 415 -20.186 0.560 -0.274 1.00 0.00 O ATOM 1327 CB SER A 415 -20.461 1.542 2.698 1.00 0.00 C ATOM 1328 OG SER A 415 -19.758 1.695 3.924 1.00 0.00 O ATOM 0 H SER A 415 -18.184 0.742 2.189 1.00 0.00 H new ATOM 0 HA SER A 415 -20.683 -0.592 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 415 -20.153 2.317 1.996 1.00 0.00 H new ATOM 0 HB3 SER A 415 -21.530 1.671 2.867 1.00 0.00 H new ATOM 0 HG SER A 415 -18.798 1.773 3.743 1.00 0.00 H new