USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 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 120 THR OG1 : rot 180:sc= 0.634 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.27 K(o=1.9,f=0.81) USER MOD Set 2.1: A 128 TYR OH : rot 12:sc= 0.108 USER MOD Set 2.2: A 172 HIS : no HD1:sc= 0.299 K(o=-1.3,f=-5.5!) USER MOD Set 2.3: A 181 CYS SG : rot 51:sc= -1.67 USER MOD Set 3.1: A 110 LYS NZ :NH3+ 174:sc= 0 (180deg=0) USER MOD Set 3.2: A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 171:sc=-0.00239 (180deg=-0.0899) USER MOD Single : A 117 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00293 USER MOD Single : A 126 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.14) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 GLN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 166:sc= 2.12 (180deg=1.83) USER MOD Single : A 141 MET CE :methyl 152:sc= -0.0274 (180deg=-1.25) USER MOD Single : A 149 HIS : no HD1:sc= 0.542 K(o=0.54,f=-4.7!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc=0.000779 USER MOD Single : A 165 LYS NZ :NH3+ -171:sc= 1.08 (180deg=0.998) USER MOD Single : A 167 CYS SG : rot 88:sc= 0.0925 USER MOD Single : A 170 HIS : no HD1:sc= 1.01 K(o=1,f=-3.2!) USER MOD Single : A 176 ASN : amide:sc= 0.182 X(o=0.18,f=-0.12) USER MOD Single : A 177 LYS NZ :NH3+ 179:sc= 2.24 (180deg=2.18) USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 LYS NZ :NH3+ 163:sc= 0.00354 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ -171:sc= 1.09 (180deg=0.934) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -1.298 8.954 0.918 1.00 0.00 N ATOM 56 CA LYS A 109 -2.253 7.873 0.596 1.00 0.00 C ATOM 57 C LYS A 109 -1.598 6.496 0.752 1.00 0.00 C ATOM 58 O LYS A 109 -1.456 5.765 -0.226 1.00 0.00 O ATOM 59 CB LYS A 109 -2.797 8.080 -0.835 1.00 0.00 C ATOM 60 CG LYS A 109 -3.524 9.413 -1.040 1.00 0.00 C ATOM 61 CD LYS A 109 -3.773 9.662 -2.533 1.00 0.00 C ATOM 62 CE LYS A 109 -4.432 11.028 -2.782 1.00 0.00 C ATOM 63 NZ LYS A 109 -3.548 12.166 -2.404 1.00 0.00 N ATOM 0 HA LYS A 109 -3.087 7.911 1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.968 8.018 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.480 7.265 -1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.473 9.403 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.930 10.226 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.827 9.611 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.410 8.873 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.697 11.113 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.360 11.089 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.972 13.058 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.438 12.192 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.616 12.044 -2.848 1.00 0.00 H new ATOM 77 N LYS A 110 -1.132 6.161 1.958 1.00 0.00 N ATOM 78 CA LYS A 110 -0.260 4.997 2.202 1.00 0.00 C ATOM 79 C LYS A 110 -0.696 4.151 3.401 1.00 0.00 C ATOM 80 O LYS A 110 -1.068 4.688 4.448 1.00 0.00 O ATOM 81 CB LYS A 110 1.176 5.533 2.325 1.00 0.00 C ATOM 82 CG LYS A 110 2.276 4.463 2.334 1.00 0.00 C ATOM 83 CD LYS A 110 3.637 5.173 2.383 1.00 0.00 C ATOM 84 CE LYS A 110 4.807 4.186 2.402 1.00 0.00 C ATOM 85 NZ LYS A 110 6.095 4.907 2.556 1.00 0.00 N ATOM 0 H LYS A 110 -1.348 6.691 2.802 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.329 4.298 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.363 6.216 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.251 6.116 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.159 3.805 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.205 3.838 1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.733 5.830 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.683 5.805 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.680 3.478 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.816 3.607 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.867 4.219 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.270 5.489 1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.052 5.519 3.395 1.00 0.00 H new ATOM 99 N ILE A 111 -0.607 2.827 3.257 1.00 0.00 N ATOM 100 CA ILE A 111 -0.888 1.838 4.311 1.00 0.00 C ATOM 101 C ILE A 111 0.337 0.965 4.585 1.00 0.00 C ATOM 102 O ILE A 111 1.174 0.720 3.717 1.00 0.00 O ATOM 103 CB ILE A 111 -2.124 0.950 3.995 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.809 -0.202 3.011 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.312 1.815 3.553 1.00 0.00 C ATOM 106 CD1 ILE A 111 -3.014 -1.054 2.595 1.00 0.00 C ATOM 0 H ILE A 111 -0.328 2.395 2.376 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.127 2.409 5.208 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.412 0.449 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.357 0.221 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.064 -0.854 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.167 1.175 3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.572 2.511 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.041 2.374 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.688 -1.833 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.457 -1.514 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.755 -0.422 2.105 1.00 0.00 H new ATOM 118 N PHE A 112 0.380 0.477 5.817 1.00 0.00 N ATOM 119 CA PHE A 112 1.237 -0.576 6.338 1.00 0.00 C ATOM 120 C PHE A 112 0.452 -1.882 6.104 1.00 0.00 C ATOM 121 O PHE A 112 -0.770 -1.927 6.279 1.00 0.00 O ATOM 122 CB PHE A 112 1.344 -0.329 7.848 1.00 0.00 C ATOM 123 CG PHE A 112 2.443 -1.092 8.550 1.00 0.00 C ATOM 124 CD1 PHE A 112 2.238 -2.407 9.009 1.00 0.00 C ATOM 125 CD2 PHE A 112 3.668 -0.455 8.784 1.00 0.00 C ATOM 126 CE1 PHE A 112 3.252 -3.064 9.732 1.00 0.00 C ATOM 127 CE2 PHE A 112 4.687 -1.113 9.482 1.00 0.00 C ATOM 128 CZ PHE A 112 4.473 -2.409 9.981 1.00 0.00 C ATOM 0 H PHE A 112 -0.240 0.841 6.541 1.00 0.00 H new ATOM 0 HA PHE A 112 2.226 -0.613 5.882 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.500 0.737 8.015 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.392 -0.588 8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.304 -2.911 8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.827 0.551 8.423 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.093 -4.069 10.095 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.638 -0.625 9.637 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.244 -2.902 10.555 1.00 0.00 H new ATOM 138 N VAL A 113 1.164 -2.959 5.779 1.00 0.00 N ATOM 139 CA VAL A 113 0.648 -4.331 5.658 1.00 0.00 C ATOM 140 C VAL A 113 1.457 -5.256 6.567 1.00 0.00 C ATOM 141 O VAL A 113 2.606 -5.573 6.259 1.00 0.00 O ATOM 142 CB VAL A 113 0.638 -4.815 4.193 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.094 -6.156 4.071 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.031 -3.813 3.243 1.00 0.00 C ATOM 0 H VAL A 113 2.163 -2.902 5.583 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.392 -4.348 5.983 1.00 0.00 H new ATOM 0 HB VAL A 113 1.684 -4.921 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.090 -6.480 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.410 -6.903 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.123 -6.041 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.009 -4.205 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.065 -3.656 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.506 -2.865 3.277 1.00 0.00 H new ATOM 154 N GLY A 114 0.890 -5.631 7.715 1.00 0.00 N ATOM 155 CA GLY A 114 1.585 -6.344 8.793 1.00 0.00 C ATOM 156 C GLY A 114 1.245 -7.835 8.883 1.00 0.00 C ATOM 157 O GLY A 114 0.091 -8.229 8.707 1.00 0.00 O ATOM 0 H GLY A 114 -0.090 -5.443 7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.660 -6.236 8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.341 -5.869 9.743 1.00 0.00 H new ATOM 161 N GLY A 115 2.248 -8.659 9.202 1.00 0.00 N ATOM 162 CA GLY A 115 2.112 -10.108 9.392 1.00 0.00 C ATOM 163 C GLY A 115 2.212 -10.942 8.109 1.00 0.00 C ATOM 164 O GLY A 115 1.714 -12.067 8.077 1.00 0.00 O ATOM 0 H GLY A 115 3.203 -8.328 9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.883 -10.442 10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.150 -10.309 9.864 1.00 0.00 H new ATOM 168 N LEU A 116 2.817 -10.407 7.045 1.00 0.00 N ATOM 169 CA LEU A 116 2.997 -11.086 5.754 1.00 0.00 C ATOM 170 C LEU A 116 3.869 -12.349 5.870 1.00 0.00 C ATOM 171 O LEU A 116 4.846 -12.382 6.622 1.00 0.00 O ATOM 172 CB LEU A 116 3.633 -10.103 4.751 1.00 0.00 C ATOM 173 CG LEU A 116 2.644 -9.084 4.162 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.399 -7.886 3.594 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.849 -9.699 3.009 1.00 0.00 C ATOM 0 H LEU A 116 3.206 -9.464 7.056 1.00 0.00 H new ATOM 0 HA LEU A 116 2.015 -11.406 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.441 -9.565 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.082 -10.671 3.936 1.00 0.00 H new ATOM 0 HG LEU A 116 1.974 -8.781 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.688 -7.171 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.973 -7.408 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.076 -8.222 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.156 -8.959 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.534 -10.016 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.289 -10.561 3.372 1.00 0.00 H new ATOM 187 N SER A 117 3.550 -13.373 5.071 1.00 0.00 N ATOM 188 CA SER A 117 4.416 -14.546 4.886 1.00 0.00 C ATOM 189 C SER A 117 5.707 -14.157 4.164 1.00 0.00 C ATOM 190 O SER A 117 5.665 -13.425 3.173 1.00 0.00 O ATOM 191 CB SER A 117 3.690 -15.655 4.119 1.00 0.00 C ATOM 192 OG SER A 117 4.592 -16.697 3.779 1.00 0.00 O ATOM 0 H SER A 117 2.684 -13.413 4.533 1.00 0.00 H new ATOM 0 HA SER A 117 4.672 -14.929 5.874 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.877 -16.053 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.241 -15.245 3.214 1.00 0.00 H new ATOM 0 HG SER A 117 4.112 -17.399 3.291 1.00 0.00 H new ATOM 198 N VAL A 118 6.858 -14.676 4.600 1.00 0.00 N ATOM 199 CA VAL A 118 8.151 -14.461 3.916 1.00 0.00 C ATOM 200 C VAL A 118 8.239 -15.114 2.529 1.00 0.00 C ATOM 201 O VAL A 118 9.190 -14.845 1.793 1.00 0.00 O ATOM 202 CB VAL A 118 9.355 -14.842 4.801 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.295 -14.152 6.168 1.00 0.00 C ATOM 204 CG2 VAL A 118 9.489 -16.357 4.992 1.00 0.00 C ATOM 0 H VAL A 118 6.928 -15.257 5.435 1.00 0.00 H new ATOM 0 HA VAL A 118 8.199 -13.386 3.741 1.00 0.00 H new ATOM 0 HB VAL A 118 10.238 -14.491 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.160 -14.446 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.300 -13.071 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 118 8.382 -14.448 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 118 10.352 -16.569 5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 118 8.588 -16.745 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 118 9.622 -16.836 4.022 1.00 0.00 H new ATOM 214 N ASN A 119 7.269 -15.956 2.149 1.00 0.00 N ATOM 215 CA ASN A 119 7.115 -16.472 0.782 1.00 0.00 C ATOM 216 C ASN A 119 6.295 -15.534 -0.130 1.00 0.00 C ATOM 217 O ASN A 119 6.412 -15.610 -1.355 1.00 0.00 O ATOM 218 CB ASN A 119 6.509 -17.886 0.844 1.00 0.00 C ATOM 219 CG ASN A 119 7.449 -18.908 1.464 1.00 0.00 C ATOM 220 OD1 ASN A 119 8.649 -18.922 1.219 1.00 0.00 O ATOM 221 ND2 ASN A 119 6.939 -19.824 2.254 1.00 0.00 N ATOM 0 H ASN A 119 6.558 -16.303 2.793 1.00 0.00 H new ATOM 0 HA ASN A 119 8.103 -16.521 0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.584 -17.854 1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.246 -18.207 -0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 119 7.541 -20.541 2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 119 5.941 -19.819 2.463 1.00 0.00 H new ATOM 228 N THR A 120 5.491 -14.633 0.444 1.00 0.00 N ATOM 229 CA THR A 120 4.771 -13.571 -0.278 1.00 0.00 C ATOM 230 C THR A 120 5.723 -12.478 -0.753 1.00 0.00 C ATOM 231 O THR A 120 6.509 -11.953 0.038 1.00 0.00 O ATOM 232 CB THR A 120 3.660 -12.967 0.596 1.00 0.00 C ATOM 233 OG1 THR A 120 2.797 -14.000 1.022 1.00 0.00 O ATOM 234 CG2 THR A 120 2.803 -11.920 -0.107 1.00 0.00 C ATOM 0 H THR A 120 5.316 -14.619 1.449 1.00 0.00 H new ATOM 0 HA THR A 120 4.313 -14.027 -1.156 1.00 0.00 H new ATOM 0 HB THR A 120 4.171 -12.471 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.086 -13.623 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.045 -11.547 0.582 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.434 -11.093 -0.434 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.316 -12.370 -0.973 1.00 0.00 H new ATOM 242 N THR A 121 5.633 -12.120 -2.037 1.00 0.00 N ATOM 243 CA THR A 121 6.405 -11.032 -2.660 1.00 0.00 C ATOM 244 C THR A 121 5.620 -9.740 -2.892 1.00 0.00 C ATOM 245 O THR A 121 4.389 -9.732 -2.858 1.00 0.00 O ATOM 246 CB THR A 121 7.191 -11.522 -3.886 1.00 0.00 C ATOM 247 OG1 THR A 121 8.251 -10.625 -4.138 1.00 0.00 O ATOM 248 CG2 THR A 121 6.355 -11.613 -5.161 1.00 0.00 C ATOM 0 H THR A 121 5.006 -12.588 -2.692 1.00 0.00 H new ATOM 0 HA THR A 121 7.146 -10.732 -1.919 1.00 0.00 H new ATOM 0 HB THR A 121 7.537 -12.527 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.760 -10.930 -4.918 1.00 0.00 H new ATOM 0 HG21 THR A 121 6.980 -11.966 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.531 -12.310 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.957 -10.628 -5.406 1.00 0.00 H new ATOM 256 N VAL A 122 6.323 -8.634 -3.139 1.00 0.00 N ATOM 257 CA VAL A 122 5.739 -7.294 -3.320 1.00 0.00 C ATOM 258 C VAL A 122 4.660 -7.219 -4.404 1.00 0.00 C ATOM 259 O VAL A 122 3.632 -6.569 -4.210 1.00 0.00 O ATOM 260 CB VAL A 122 6.865 -6.265 -3.538 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.554 -6.360 -4.905 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.329 -4.846 -3.371 1.00 0.00 C ATOM 0 H VAL A 122 7.340 -8.640 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 122 5.205 -7.050 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 122 7.613 -6.502 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.333 -5.600 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.000 -7.348 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.820 -6.199 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.137 -4.131 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.539 -4.667 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 122 5.928 -4.725 -2.365 1.00 0.00 H new ATOM 272 N GLU A 123 4.848 -7.932 -5.516 1.00 0.00 N ATOM 273 CA GLU A 123 3.875 -7.985 -6.612 1.00 0.00 C ATOM 274 C GLU A 123 2.583 -8.729 -6.222 1.00 0.00 C ATOM 275 O GLU A 123 1.515 -8.366 -6.708 1.00 0.00 O ATOM 276 CB GLU A 123 4.508 -8.633 -7.857 1.00 0.00 C ATOM 277 CG GLU A 123 5.703 -7.857 -8.444 1.00 0.00 C ATOM 278 CD GLU A 123 5.354 -6.486 -9.067 1.00 0.00 C ATOM 279 OE1 GLU A 123 6.282 -5.675 -9.297 1.00 0.00 O ATOM 280 OE2 GLU A 123 4.171 -6.195 -9.361 1.00 0.00 O ATOM 0 H GLU A 123 5.684 -8.492 -5.684 1.00 0.00 H new ATOM 0 HA GLU A 123 3.595 -6.956 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.836 -9.640 -7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.743 -8.734 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 123 6.439 -7.703 -7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.178 -8.475 -9.206 1.00 0.00 H new ATOM 287 N ASP A 124 2.640 -9.709 -5.307 1.00 0.00 N ATOM 288 CA ASP A 124 1.442 -10.384 -4.774 1.00 0.00 C ATOM 289 C ASP A 124 0.592 -9.393 -3.963 1.00 0.00 C ATOM 290 O ASP A 124 -0.625 -9.318 -4.135 1.00 0.00 O ATOM 291 CB ASP A 124 1.803 -11.550 -3.832 1.00 0.00 C ATOM 292 CG ASP A 124 2.700 -12.657 -4.401 1.00 0.00 C ATOM 293 OD1 ASP A 124 2.751 -12.857 -5.637 1.00 0.00 O ATOM 294 OD2 ASP A 124 3.331 -13.361 -3.574 1.00 0.00 O ATOM 0 H ASP A 124 3.515 -10.057 -4.915 1.00 0.00 H new ATOM 0 HA ASP A 124 0.895 -10.768 -5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.295 -11.134 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.875 -12.009 -3.491 1.00 0.00 H new ATOM 299 N VAL A 125 1.247 -8.611 -3.098 1.00 0.00 N ATOM 300 CA VAL A 125 0.609 -7.610 -2.229 1.00 0.00 C ATOM 301 C VAL A 125 -0.007 -6.482 -3.060 1.00 0.00 C ATOM 302 O VAL A 125 -1.187 -6.167 -2.903 1.00 0.00 O ATOM 303 CB VAL A 125 1.619 -7.091 -1.180 1.00 0.00 C ATOM 304 CG1 VAL A 125 0.991 -6.074 -0.225 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.155 -8.250 -0.331 1.00 0.00 C ATOM 0 H VAL A 125 2.259 -8.656 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.210 -8.079 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 125 2.421 -6.612 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.739 -5.739 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.625 -5.219 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.161 -6.539 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.865 -7.866 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.327 -8.736 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.655 -8.973 -0.976 1.00 0.00 H new ATOM 315 N LYS A 126 0.754 -5.934 -4.015 1.00 0.00 N ATOM 316 CA LYS A 126 0.295 -4.938 -4.997 1.00 0.00 C ATOM 317 C LYS A 126 -0.905 -5.434 -5.815 1.00 0.00 C ATOM 318 O LYS A 126 -1.928 -4.751 -5.863 1.00 0.00 O ATOM 319 CB LYS A 126 1.510 -4.564 -5.859 1.00 0.00 C ATOM 320 CG LYS A 126 1.223 -3.781 -7.147 1.00 0.00 C ATOM 321 CD LYS A 126 2.564 -3.505 -7.840 1.00 0.00 C ATOM 322 CE LYS A 126 2.374 -3.189 -9.326 1.00 0.00 C ATOM 323 NZ LYS A 126 3.607 -3.521 -10.089 1.00 0.00 N ATOM 0 H LYS A 126 1.738 -6.178 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.083 -4.048 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.193 -3.975 -5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 126 2.033 -5.482 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.565 -4.352 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.712 -2.846 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.062 -2.669 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 126 3.216 -4.372 -7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.531 -3.757 -9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.134 -2.133 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 3.425 -3.414 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 4.374 -2.879 -9.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.886 -4.503 -9.889 1.00 0.00 H new ATOM 337 N HIS A 127 -0.823 -6.629 -6.408 1.00 0.00 N ATOM 338 CA HIS A 127 -1.915 -7.236 -7.182 1.00 0.00 C ATOM 339 C HIS A 127 -3.168 -7.506 -6.338 1.00 0.00 C ATOM 340 O HIS A 127 -4.286 -7.291 -6.810 1.00 0.00 O ATOM 341 CB HIS A 127 -1.406 -8.529 -7.832 1.00 0.00 C ATOM 342 CG HIS A 127 -2.392 -9.135 -8.796 1.00 0.00 C ATOM 343 ND1 HIS A 127 -3.306 -10.153 -8.513 1.00 0.00 N ATOM 344 CD2 HIS A 127 -2.574 -8.715 -10.078 1.00 0.00 C ATOM 345 CE1 HIS A 127 -4.014 -10.330 -9.644 1.00 0.00 C ATOM 346 NE2 HIS A 127 -3.594 -9.481 -10.599 1.00 0.00 N ATOM 0 H HIS A 127 0.014 -7.211 -6.365 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.219 -6.524 -7.949 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.474 -8.322 -8.358 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.177 -9.255 -7.052 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -2.027 -7.935 -10.587 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -4.808 -11.052 -9.767 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -3.967 -9.415 -11.546 1.00 0.00 H new ATOM 354 N TYR A 128 -3.001 -7.908 -5.074 1.00 0.00 N ATOM 355 CA TYR A 128 -4.118 -8.071 -4.148 1.00 0.00 C ATOM 356 C TYR A 128 -4.835 -6.761 -3.786 1.00 0.00 C ATOM 357 O TYR A 128 -6.065 -6.692 -3.836 1.00 0.00 O ATOM 358 CB TYR A 128 -3.701 -8.885 -2.918 1.00 0.00 C ATOM 359 CG TYR A 128 -4.790 -8.975 -1.870 1.00 0.00 C ATOM 360 CD1 TYR A 128 -4.915 -7.993 -0.867 1.00 0.00 C ATOM 361 CD2 TYR A 128 -5.719 -10.031 -1.941 1.00 0.00 C ATOM 362 CE1 TYR A 128 -5.963 -8.078 0.067 1.00 0.00 C ATOM 363 CE2 TYR A 128 -6.769 -10.115 -1.010 1.00 0.00 C ATOM 364 CZ TYR A 128 -6.885 -9.147 0.011 1.00 0.00 C ATOM 365 OH TYR A 128 -7.876 -9.258 0.939 1.00 0.00 O ATOM 0 H TYR A 128 -2.091 -8.128 -4.669 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.874 -8.645 -4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -3.423 -9.891 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.814 -8.433 -2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.208 -7.178 -0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.624 -10.779 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -6.064 -7.322 0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -7.486 -10.920 -1.076 1.00 0.00 H new ATOM 0 HH TYR A 128 -7.933 -8.428 1.458 1.00 0.00 H new ATOM 375 N PHE A 129 -4.079 -5.700 -3.478 1.00 0.00 N ATOM 376 CA PHE A 129 -4.643 -4.377 -3.193 1.00 0.00 C ATOM 377 C PHE A 129 -5.237 -3.602 -4.385 1.00 0.00 C ATOM 378 O PHE A 129 -6.184 -2.834 -4.216 1.00 0.00 O ATOM 379 CB PHE A 129 -3.730 -3.556 -2.271 1.00 0.00 C ATOM 380 CG PHE A 129 -3.713 -4.059 -0.834 1.00 0.00 C ATOM 381 CD1 PHE A 129 -4.861 -3.960 -0.022 1.00 0.00 C ATOM 382 CD2 PHE A 129 -2.560 -4.678 -0.314 1.00 0.00 C ATOM 383 CE1 PHE A 129 -4.858 -4.501 1.278 1.00 0.00 C ATOM 384 CE2 PHE A 129 -2.555 -5.204 0.990 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.707 -5.120 1.786 1.00 0.00 C ATOM 0 H PHE A 129 -3.061 -5.735 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.553 -4.584 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.715 -3.575 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.057 -2.516 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -5.746 -3.468 -0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -1.671 -4.749 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.747 -4.439 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.663 -5.673 1.379 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.707 -5.530 2.785 1.00 0.00 H new ATOM 395 N GLU A 130 -4.764 -3.891 -5.604 1.00 0.00 N ATOM 396 CA GLU A 130 -5.331 -3.412 -6.880 1.00 0.00 C ATOM 397 C GLU A 130 -6.817 -3.767 -7.097 1.00 0.00 C ATOM 398 O GLU A 130 -7.515 -3.082 -7.848 1.00 0.00 O ATOM 399 CB GLU A 130 -4.487 -3.955 -8.049 1.00 0.00 C ATOM 400 CG GLU A 130 -3.309 -3.037 -8.410 1.00 0.00 C ATOM 401 CD GLU A 130 -3.704 -1.801 -9.243 1.00 0.00 C ATOM 402 OE1 GLU A 130 -2.862 -0.884 -9.377 1.00 0.00 O ATOM 403 OE2 GLU A 130 -4.832 -1.726 -9.782 1.00 0.00 O ATOM 0 H GLU A 130 -3.946 -4.486 -5.738 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.294 -2.323 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.106 -4.942 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.125 -4.081 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.828 -2.703 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.570 -3.614 -8.965 1.00 0.00 H new ATOM 410 N GLN A 131 -7.330 -4.801 -6.419 1.00 0.00 N ATOM 411 CA GLN A 131 -8.749 -5.192 -6.452 1.00 0.00 C ATOM 412 C GLN A 131 -9.676 -4.084 -5.938 1.00 0.00 C ATOM 413 O GLN A 131 -10.725 -3.798 -6.520 1.00 0.00 O ATOM 414 CB GLN A 131 -8.946 -6.434 -5.571 1.00 0.00 C ATOM 415 CG GLN A 131 -8.166 -7.626 -6.122 1.00 0.00 C ATOM 416 CD GLN A 131 -8.393 -8.888 -5.296 1.00 0.00 C ATOM 417 OE1 GLN A 131 -9.144 -9.786 -5.659 1.00 0.00 O ATOM 418 NE2 GLN A 131 -7.901 -8.917 -4.078 1.00 0.00 N ATOM 0 H GLN A 131 -6.762 -5.401 -5.821 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.007 -5.392 -7.492 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -8.618 -6.219 -4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -10.006 -6.682 -5.518 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.465 -7.809 -7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -7.102 -7.388 -6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.275 -8.176 -3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.145 -9.681 -3.447 1.00 0.00 H new ATOM 427 N PHE A 132 -9.260 -3.464 -4.835 1.00 0.00 N ATOM 428 CA PHE A 132 -9.970 -2.362 -4.176 1.00 0.00 C ATOM 429 C PHE A 132 -9.929 -1.031 -4.938 1.00 0.00 C ATOM 430 O PHE A 132 -10.891 -0.258 -4.896 1.00 0.00 O ATOM 431 CB PHE A 132 -9.433 -2.185 -2.750 1.00 0.00 C ATOM 432 CG PHE A 132 -9.657 -3.403 -1.876 1.00 0.00 C ATOM 433 CD1 PHE A 132 -10.958 -3.792 -1.505 1.00 0.00 C ATOM 434 CD2 PHE A 132 -8.557 -4.190 -1.488 1.00 0.00 C ATOM 435 CE1 PHE A 132 -11.153 -4.968 -0.760 1.00 0.00 C ATOM 436 CE2 PHE A 132 -8.750 -5.349 -0.720 1.00 0.00 C ATOM 437 CZ PHE A 132 -10.049 -5.743 -0.359 1.00 0.00 C ATOM 0 H PHE A 132 -8.395 -3.720 -4.359 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.022 -2.645 -4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.366 -1.968 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.915 -1.322 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.806 -3.187 -1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.559 -3.901 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -12.153 -5.278 -0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.900 -5.937 -0.407 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.200 -6.639 0.225 1.00 0.00 H new ATOM 447 N GLY A 133 -8.822 -0.776 -5.637 1.00 0.00 N ATOM 448 CA GLY A 133 -8.571 0.405 -6.462 1.00 0.00 C ATOM 449 C GLY A 133 -7.088 0.546 -6.830 1.00 0.00 C ATOM 450 O GLY A 133 -6.239 -0.184 -6.315 1.00 0.00 O ATOM 0 H GLY A 133 -8.034 -1.424 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.166 0.344 -7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.898 1.297 -5.927 1.00 0.00 H new ATOM 454 N LYS A 134 -6.769 1.479 -7.735 1.00 0.00 N ATOM 455 CA LYS A 134 -5.437 1.624 -8.338 1.00 0.00 C ATOM 456 C LYS A 134 -4.353 1.912 -7.288 1.00 0.00 C ATOM 457 O LYS A 134 -4.486 2.800 -6.441 1.00 0.00 O ATOM 458 CB LYS A 134 -5.473 2.680 -9.459 1.00 0.00 C ATOM 459 CG LYS A 134 -4.151 2.802 -10.242 1.00 0.00 C ATOM 460 CD LYS A 134 -4.023 1.714 -11.320 1.00 0.00 C ATOM 461 CE LYS A 134 -2.612 1.604 -11.913 1.00 0.00 C ATOM 462 NZ LYS A 134 -1.645 1.015 -10.951 1.00 0.00 N ATOM 0 H LYS A 134 -7.441 2.167 -8.075 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.161 0.671 -8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.275 2.431 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -5.718 3.649 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.095 3.785 -10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.311 2.729 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -4.304 0.753 -10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -4.731 1.923 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -2.645 0.991 -12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.267 2.594 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.778 0.740 -11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.413 1.716 -10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.067 0.176 -10.505 1.00 0.00 H new ATOM 476 N VAL A 135 -3.262 1.163 -7.393 1.00 0.00 N ATOM 477 CA VAL A 135 -2.070 1.243 -6.538 1.00 0.00 C ATOM 478 C VAL A 135 -1.027 2.115 -7.242 1.00 0.00 C ATOM 479 O VAL A 135 -0.790 1.976 -8.443 1.00 0.00 O ATOM 480 CB VAL A 135 -1.551 -0.182 -6.253 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.176 -0.223 -5.577 1.00 0.00 C ATOM 482 CG2 VAL A 135 -2.570 -0.924 -5.374 1.00 0.00 C ATOM 0 H VAL A 135 -3.174 0.445 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.301 1.701 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.431 -0.666 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.117 -1.260 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.559 0.264 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.225 0.298 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.208 -1.932 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -2.699 -0.387 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -3.526 -0.980 -5.894 1.00 0.00 H new ATOM 492 N ASP A 136 -0.409 3.026 -6.496 1.00 0.00 N ATOM 493 CA ASP A 136 0.697 3.865 -6.961 1.00 0.00 C ATOM 494 C ASP A 136 2.070 3.165 -6.910 1.00 0.00 C ATOM 495 O ASP A 136 2.831 3.196 -7.879 1.00 0.00 O ATOM 496 CB ASP A 136 0.678 5.204 -6.206 1.00 0.00 C ATOM 497 CG ASP A 136 1.937 6.057 -6.445 1.00 0.00 C ATOM 498 OD1 ASP A 136 2.229 6.389 -7.618 1.00 0.00 O ATOM 499 OD2 ASP A 136 2.610 6.432 -5.456 1.00 0.00 O ATOM 0 H ASP A 136 -0.668 3.208 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 136 0.542 4.062 -8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.201 5.772 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.577 5.009 -5.138 1.00 0.00 H new ATOM 504 N ASP A 137 2.364 2.487 -5.793 1.00 0.00 N ATOM 505 CA ASP A 137 3.608 1.733 -5.568 1.00 0.00 C ATOM 506 C ASP A 137 3.425 0.768 -4.372 1.00 0.00 C ATOM 507 O ASP A 137 2.531 0.953 -3.542 1.00 0.00 O ATOM 508 CB ASP A 137 4.739 2.733 -5.241 1.00 0.00 C ATOM 509 CG ASP A 137 6.151 2.128 -5.329 1.00 0.00 C ATOM 510 OD1 ASP A 137 7.099 2.754 -4.798 1.00 0.00 O ATOM 511 OD2 ASP A 137 6.328 1.052 -5.949 1.00 0.00 O ATOM 0 H ASP A 137 1.727 2.446 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 137 3.856 1.158 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.673 3.578 -5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.584 3.125 -4.236 1.00 0.00 H new ATOM 516 N ALA A 138 4.299 -0.235 -4.249 1.00 0.00 N ATOM 517 CA ALA A 138 4.406 -1.128 -3.091 1.00 0.00 C ATOM 518 C ALA A 138 5.874 -1.505 -2.794 1.00 0.00 C ATOM 519 O ALA A 138 6.710 -1.535 -3.701 1.00 0.00 O ATOM 520 CB ALA A 138 3.546 -2.375 -3.341 1.00 0.00 C ATOM 0 H ALA A 138 4.976 -0.456 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 138 4.037 -0.608 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.619 -3.045 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.507 -2.078 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.901 -2.888 -4.235 1.00 0.00 H new ATOM 526 N MET A 139 6.187 -1.821 -1.531 1.00 0.00 N ATOM 527 CA MET A 139 7.513 -2.299 -1.092 1.00 0.00 C ATOM 528 C MET A 139 7.438 -3.108 0.209 1.00 0.00 C ATOM 529 O MET A 139 6.782 -2.689 1.160 1.00 0.00 O ATOM 530 CB MET A 139 8.507 -1.129 -0.954 1.00 0.00 C ATOM 531 CG MET A 139 8.020 0.013 -0.055 1.00 0.00 C ATOM 532 SD MET A 139 9.257 1.311 0.191 1.00 0.00 S ATOM 533 CE MET A 139 8.249 2.464 1.153 1.00 0.00 C ATOM 0 H MET A 139 5.515 -1.752 -0.767 1.00 0.00 H new ATOM 0 HA MET A 139 7.879 -2.972 -1.868 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.447 -1.512 -0.557 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.719 -0.729 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 139 7.124 0.453 -0.493 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.734 -0.394 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.842 3.343 1.406 1.00 0.00 H new ATOM 0 HE2 MET A 139 7.383 2.768 0.565 1.00 0.00 H new ATOM 0 HE3 MET A 139 7.913 1.977 2.069 1.00 0.00 H new ATOM 543 N LEU A 140 8.124 -4.255 0.276 1.00 0.00 N ATOM 544 CA LEU A 140 8.256 -5.062 1.501 1.00 0.00 C ATOM 545 C LEU A 140 9.624 -4.837 2.158 1.00 0.00 C ATOM 546 O LEU A 140 10.613 -4.571 1.473 1.00 0.00 O ATOM 547 CB LEU A 140 7.954 -6.551 1.235 1.00 0.00 C ATOM 548 CG LEU A 140 6.669 -6.836 0.432 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.399 -8.339 0.390 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.428 -6.158 1.014 1.00 0.00 C ATOM 0 H LEU A 140 8.610 -4.656 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 140 7.504 -4.726 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 140 8.799 -6.985 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 140 7.884 -7.066 2.193 1.00 0.00 H new ATOM 0 HG LEU A 140 6.846 -6.431 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.489 -8.529 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.238 -8.846 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.277 -8.715 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.560 -6.400 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.264 -6.512 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.575 -5.078 1.025 1.00 0.00 H new ATOM 562 N MET A 141 9.688 -4.900 3.490 1.00 0.00 N ATOM 563 CA MET A 141 10.873 -4.497 4.260 1.00 0.00 C ATOM 564 C MET A 141 11.954 -5.588 4.309 1.00 0.00 C ATOM 565 O MET A 141 12.115 -6.297 5.306 1.00 0.00 O ATOM 566 CB MET A 141 10.445 -3.982 5.641 1.00 0.00 C ATOM 567 CG MET A 141 9.608 -2.693 5.563 1.00 0.00 C ATOM 568 SD MET A 141 10.309 -1.248 4.709 1.00 0.00 S ATOM 569 CE MET A 141 9.660 -1.422 3.026 1.00 0.00 C ATOM 0 H MET A 141 8.918 -5.233 4.070 1.00 0.00 H new ATOM 0 HA MET A 141 11.359 -3.671 3.741 1.00 0.00 H new ATOM 0 HB2 MET A 141 9.868 -4.755 6.149 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.333 -3.798 6.246 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.665 -2.940 5.075 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.370 -2.391 6.583 1.00 0.00 H new ATOM 0 HE1 MET A 141 9.575 -0.438 2.565 1.00 0.00 H new ATOM 0 HE2 MET A 141 10.337 -2.041 2.437 1.00 0.00 H new ATOM 0 HE3 MET A 141 8.677 -1.892 3.062 1.00 0.00 H new ATOM 699 N HIS A 149 11.900 -10.548 3.679 1.00 0.00 N ATOM 700 CA HIS A 149 11.353 -9.386 4.396 1.00 0.00 C ATOM 701 C HIS A 149 11.032 -9.701 5.861 1.00 0.00 C ATOM 702 O HIS A 149 10.812 -10.852 6.241 1.00 0.00 O ATOM 703 CB HIS A 149 10.167 -8.778 3.634 1.00 0.00 C ATOM 704 CG HIS A 149 8.986 -9.700 3.506 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.075 -9.989 4.525 1.00 0.00 N ATOM 706 CD2 HIS A 149 8.579 -10.305 2.355 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.153 -10.790 3.965 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.431 -10.995 2.666 1.00 0.00 N ATOM 0 HA HIS A 149 12.130 -8.622 4.431 1.00 0.00 H new ATOM 0 HB2 HIS A 149 9.850 -7.867 4.142 1.00 0.00 H new ATOM 0 HB3 HIS A 149 10.499 -8.488 2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.062 -10.253 1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.306 -11.211 4.486 1.00 0.00 H new ATOM 0 HE2 HIS A 149 6.884 -11.565 2.021 1.00 0.00 H new ATOM 716 N ARG A 150 11.009 -8.655 6.693 1.00 0.00 N ATOM 717 CA ARG A 150 10.788 -8.688 8.143 1.00 0.00 C ATOM 718 C ARG A 150 9.328 -8.986 8.563 1.00 0.00 C ATOM 719 O ARG A 150 8.931 -8.731 9.699 1.00 0.00 O ATOM 720 CB ARG A 150 11.387 -7.367 8.672 1.00 0.00 C ATOM 721 CG ARG A 150 11.529 -7.320 10.195 1.00 0.00 C ATOM 722 CD ARG A 150 12.638 -6.375 10.684 1.00 0.00 C ATOM 723 NE ARG A 150 12.488 -4.981 10.215 1.00 0.00 N ATOM 724 CZ ARG A 150 12.241 -3.908 10.947 1.00 0.00 C ATOM 725 NH1 ARG A 150 11.878 -3.941 12.194 1.00 0.00 N ATOM 726 NH2 ARG A 150 12.344 -2.728 10.433 1.00 0.00 N ATOM 0 H ARG A 150 11.153 -7.705 6.352 1.00 0.00 H new ATOM 0 HA ARG A 150 11.289 -9.538 8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 150 12.367 -7.217 8.220 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.757 -6.538 8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 150 10.580 -7.007 10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 150 11.732 -8.326 10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 150 12.653 -6.382 11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 150 13.602 -6.759 10.350 1.00 0.00 H new ATOM 0 HE ARG A 150 12.586 -4.830 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 150 11.767 -4.837 12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 150 11.704 -3.071 12.698 1.00 0.00 H new ATOM 0 HH21 ARG A 150 12.617 -2.619 9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 150 12.152 -1.905 11.004 1.00 0.00 H new ATOM 740 N GLY A 151 8.511 -9.523 7.653 1.00 0.00 N ATOM 741 CA GLY A 151 7.103 -9.864 7.878 1.00 0.00 C ATOM 742 C GLY A 151 6.124 -8.701 7.694 1.00 0.00 C ATOM 743 O GLY A 151 4.981 -8.800 8.143 1.00 0.00 O ATOM 0 H GLY A 151 8.822 -9.740 6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.824 -10.667 7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.995 -10.255 8.890 1.00 0.00 H new ATOM 747 N PHE A 152 6.535 -7.595 7.064 1.00 0.00 N ATOM 748 CA PHE A 152 5.647 -6.460 6.784 1.00 0.00 C ATOM 749 C PHE A 152 6.160 -5.631 5.590 1.00 0.00 C ATOM 750 O PHE A 152 7.294 -5.782 5.120 1.00 0.00 O ATOM 751 CB PHE A 152 5.521 -5.566 8.031 1.00 0.00 C ATOM 752 CG PHE A 152 6.748 -4.755 8.407 1.00 0.00 C ATOM 753 CD1 PHE A 152 6.800 -3.384 8.090 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.818 -5.348 9.105 1.00 0.00 C ATOM 755 CE1 PHE A 152 7.895 -2.603 8.495 1.00 0.00 C ATOM 756 CE2 PHE A 152 8.933 -4.573 9.475 1.00 0.00 C ATOM 757 CZ PHE A 152 8.971 -3.204 9.169 1.00 0.00 C ATOM 0 H PHE A 152 7.491 -7.461 6.734 1.00 0.00 H new ATOM 0 HA PHE A 152 4.665 -6.856 6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.691 -4.877 7.875 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.256 -6.198 8.879 1.00 0.00 H new ATOM 0 HD1 PHE A 152 5.994 -2.931 7.533 1.00 0.00 H new ATOM 0 HD2 PHE A 152 7.783 -6.398 9.356 1.00 0.00 H new ATOM 0 HE1 PHE A 152 7.910 -1.543 8.289 1.00 0.00 H new ATOM 0 HE2 PHE A 152 9.760 -5.033 9.995 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.829 -2.612 9.452 1.00 0.00 H new ATOM 767 N GLY A 153 5.303 -4.729 5.111 1.00 0.00 N ATOM 768 CA GLY A 153 5.601 -3.781 4.037 1.00 0.00 C ATOM 769 C GLY A 153 4.593 -2.638 3.934 1.00 0.00 C ATOM 770 O GLY A 153 3.763 -2.441 4.822 1.00 0.00 O ATOM 0 H GLY A 153 4.353 -4.635 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.595 -3.364 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.629 -4.317 3.088 1.00 0.00 H new ATOM 774 N PHE A 154 4.667 -1.896 2.830 1.00 0.00 N ATOM 775 CA PHE A 154 3.848 -0.725 2.518 1.00 0.00 C ATOM 776 C PHE A 154 3.189 -0.745 1.134 1.00 0.00 C ATOM 777 O PHE A 154 3.759 -1.289 0.184 1.00 0.00 O ATOM 778 CB PHE A 154 4.666 0.559 2.705 1.00 0.00 C ATOM 779 CG PHE A 154 5.075 0.838 4.136 1.00 0.00 C ATOM 780 CD1 PHE A 154 4.289 1.659 4.966 1.00 0.00 C ATOM 781 CD2 PHE A 154 6.251 0.256 4.639 1.00 0.00 C ATOM 782 CE1 PHE A 154 4.695 1.915 6.287 1.00 0.00 C ATOM 783 CE2 PHE A 154 6.633 0.476 5.968 1.00 0.00 C ATOM 784 CZ PHE A 154 5.867 1.319 6.791 1.00 0.00 C ATOM 0 H PHE A 154 5.336 -2.107 2.089 1.00 0.00 H new ATOM 0 HA PHE A 154 3.020 -0.754 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.563 0.496 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.084 1.403 2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 154 3.375 2.092 4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 154 6.862 -0.363 3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 154 4.108 2.569 6.915 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.518 -0.003 6.361 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.177 1.509 7.808 1.00 0.00 H new ATOM 794 N VAL A 155 2.029 -0.092 1.007 1.00 0.00 N ATOM 795 CA VAL A 155 1.322 0.151 -0.266 1.00 0.00 C ATOM 796 C VAL A 155 0.793 1.585 -0.349 1.00 0.00 C ATOM 797 O VAL A 155 0.109 2.048 0.564 1.00 0.00 O ATOM 798 CB VAL A 155 0.190 -0.870 -0.531 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.359 -0.753 -1.957 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.629 -2.324 -0.322 1.00 0.00 C ATOM 0 H VAL A 155 1.536 0.297 1.811 1.00 0.00 H new ATOM 0 HA VAL A 155 2.062 0.012 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.582 -0.622 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.152 -1.487 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.759 0.249 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.443 -0.938 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.210 -2.990 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.449 -2.558 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 155 0.961 -2.460 0.707 1.00 0.00 H new ATOM 810 N THR A 156 1.105 2.275 -1.444 1.00 0.00 N ATOM 811 CA THR A 156 0.624 3.622 -1.805 1.00 0.00 C ATOM 812 C THR A 156 -0.509 3.615 -2.833 1.00 0.00 C ATOM 813 O THR A 156 -0.525 2.750 -3.708 1.00 0.00 O ATOM 814 CB THR A 156 1.771 4.583 -2.185 1.00 0.00 C ATOM 815 OG1 THR A 156 2.941 4.317 -1.434 1.00 0.00 O ATOM 816 CG2 THR A 156 1.424 6.056 -1.972 1.00 0.00 C ATOM 0 H THR A 156 1.736 1.894 -2.149 1.00 0.00 H new ATOM 0 HA THR A 156 0.179 4.022 -0.894 1.00 0.00 H new ATOM 0 HB THR A 156 1.937 4.405 -3.247 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.649 4.941 -1.699 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.274 6.675 -2.259 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.561 6.319 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.189 6.226 -0.921 1.00 0.00 H new ATOM 824 N PHE A 157 -1.454 4.557 -2.768 1.00 0.00 N ATOM 825 CA PHE A 157 -2.705 4.547 -3.530 1.00 0.00 C ATOM 826 C PHE A 157 -2.939 5.743 -4.458 1.00 0.00 C ATOM 827 O PHE A 157 -2.476 6.852 -4.192 1.00 0.00 O ATOM 828 CB PHE A 157 -3.888 4.298 -2.585 1.00 0.00 C ATOM 829 CG PHE A 157 -3.940 2.894 -2.012 1.00 0.00 C ATOM 830 CD1 PHE A 157 -4.797 1.927 -2.568 1.00 0.00 C ATOM 831 CD2 PHE A 157 -3.129 2.553 -0.913 1.00 0.00 C ATOM 832 CE1 PHE A 157 -4.852 0.632 -2.020 1.00 0.00 C ATOM 833 CE2 PHE A 157 -3.166 1.253 -0.386 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.030 0.291 -0.934 1.00 0.00 C ATOM 0 H PHE A 157 -1.366 5.374 -2.164 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.613 3.719 -4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.839 5.012 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -4.816 4.494 -3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -5.414 2.179 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -2.477 3.294 -0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -5.528 -0.101 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -2.527 0.991 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.062 -0.707 -0.522 1.00 0.00 H new ATOM 844 N GLU A 158 -3.694 5.529 -5.533 1.00 0.00 N ATOM 845 CA GLU A 158 -4.079 6.580 -6.489 1.00 0.00 C ATOM 846 C GLU A 158 -5.112 7.570 -5.911 1.00 0.00 C ATOM 847 O GLU A 158 -5.118 8.744 -6.288 1.00 0.00 O ATOM 848 CB GLU A 158 -4.585 5.896 -7.769 1.00 0.00 C ATOM 849 CG GLU A 158 -4.917 6.847 -8.933 1.00 0.00 C ATOM 850 CD GLU A 158 -6.353 7.421 -8.947 1.00 0.00 C ATOM 851 OE1 GLU A 158 -7.248 6.921 -8.223 1.00 0.00 O ATOM 852 OE2 GLU A 158 -6.605 8.367 -9.733 1.00 0.00 O ATOM 0 H GLU A 158 -4.064 4.609 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.206 7.193 -6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -3.830 5.186 -8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.478 5.320 -7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -4.214 7.680 -8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -4.750 6.316 -9.870 1.00 0.00 H new ATOM 859 N SER A 159 -5.941 7.124 -4.956 1.00 0.00 N ATOM 860 CA SER A 159 -6.942 7.942 -4.261 1.00 0.00 C ATOM 861 C SER A 159 -7.049 7.585 -2.776 1.00 0.00 C ATOM 862 O SER A 159 -6.982 6.415 -2.390 1.00 0.00 O ATOM 863 CB SER A 159 -8.305 7.827 -4.953 1.00 0.00 C ATOM 864 OG SER A 159 -9.295 8.546 -4.232 1.00 0.00 O ATOM 0 H SER A 159 -5.932 6.155 -4.637 1.00 0.00 H new ATOM 0 HA SER A 159 -6.610 8.979 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.236 8.213 -5.970 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.593 6.778 -5.029 1.00 0.00 H new ATOM 0 HG SER A 159 -10.158 8.463 -4.689 1.00 0.00 H new ATOM 870 N GLU A 160 -7.247 8.603 -1.936 1.00 0.00 N ATOM 871 CA GLU A 160 -7.452 8.460 -0.490 1.00 0.00 C ATOM 872 C GLU A 160 -8.752 7.695 -0.170 1.00 0.00 C ATOM 873 O GLU A 160 -8.830 6.996 0.839 1.00 0.00 O ATOM 874 CB GLU A 160 -7.456 9.869 0.127 1.00 0.00 C ATOM 875 CG GLU A 160 -7.337 9.855 1.658 1.00 0.00 C ATOM 876 CD GLU A 160 -7.285 11.268 2.285 1.00 0.00 C ATOM 877 OE1 GLU A 160 -7.278 12.291 1.557 1.00 0.00 O ATOM 878 OE2 GLU A 160 -7.254 11.364 3.536 1.00 0.00 O ATOM 0 H GLU A 160 -7.270 9.574 -2.248 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.644 7.868 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -6.630 10.445 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -8.376 10.381 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -8.185 9.312 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -6.437 9.308 1.940 1.00 0.00 H new ATOM 885 N ASP A 161 -9.747 7.738 -1.064 1.00 0.00 N ATOM 886 CA ASP A 161 -10.966 6.930 -0.945 1.00 0.00 C ATOM 887 C ASP A 161 -10.734 5.411 -0.947 1.00 0.00 C ATOM 888 O ASP A 161 -11.433 4.676 -0.245 1.00 0.00 O ATOM 889 CB ASP A 161 -12.013 7.339 -1.997 1.00 0.00 C ATOM 890 CG ASP A 161 -12.714 8.688 -1.741 1.00 0.00 C ATOM 891 OD1 ASP A 161 -13.478 9.130 -2.634 1.00 0.00 O ATOM 892 OD2 ASP A 161 -12.545 9.307 -0.663 1.00 0.00 O ATOM 0 H ASP A 161 -9.729 8.335 -1.891 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.357 7.153 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.527 7.380 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.772 6.559 -2.052 1.00 0.00 H new ATOM 897 N ILE A 162 -9.714 4.937 -1.679 1.00 0.00 N ATOM 898 CA ILE A 162 -9.298 3.529 -1.624 1.00 0.00 C ATOM 899 C ILE A 162 -8.629 3.226 -0.288 1.00 0.00 C ATOM 900 O ILE A 162 -8.937 2.205 0.316 1.00 0.00 O ATOM 901 CB ILE A 162 -8.356 3.124 -2.775 1.00 0.00 C ATOM 902 CG1 ILE A 162 -8.782 3.634 -4.158 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.217 1.592 -2.819 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.233 3.330 -4.558 1.00 0.00 C ATOM 0 H ILE A 162 -9.162 5.510 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.208 2.939 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.402 3.603 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.634 4.713 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.119 3.199 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.550 1.310 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -7.805 1.237 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.197 1.142 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.429 3.734 -5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.389 2.251 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -10.912 3.789 -3.840 1.00 0.00 H new ATOM 916 N VAL A 163 -7.767 4.116 0.214 1.00 0.00 N ATOM 917 CA VAL A 163 -7.106 3.922 1.516 1.00 0.00 C ATOM 918 C VAL A 163 -8.146 3.707 2.619 1.00 0.00 C ATOM 919 O VAL A 163 -8.014 2.769 3.400 1.00 0.00 O ATOM 920 CB VAL A 163 -6.187 5.107 1.881 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.468 4.905 3.221 1.00 0.00 C ATOM 922 CG2 VAL A 163 -5.126 5.343 0.803 1.00 0.00 C ATOM 0 H VAL A 163 -7.508 4.981 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.482 3.032 1.430 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.845 5.973 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.835 5.768 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.205 4.796 4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.852 4.007 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.496 6.184 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.511 4.449 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.614 5.564 -0.146 1.00 0.00 H new ATOM 932 N GLU A 164 -9.220 4.506 2.647 1.00 0.00 N ATOM 933 CA GLU A 164 -10.342 4.308 3.577 1.00 0.00 C ATOM 934 C GLU A 164 -11.093 2.985 3.334 1.00 0.00 C ATOM 935 O GLU A 164 -11.313 2.227 4.283 1.00 0.00 O ATOM 936 CB GLU A 164 -11.331 5.488 3.501 1.00 0.00 C ATOM 937 CG GLU A 164 -10.756 6.871 3.857 1.00 0.00 C ATOM 938 CD GLU A 164 -10.232 7.020 5.299 1.00 0.00 C ATOM 939 OE1 GLU A 164 -10.399 6.113 6.149 1.00 0.00 O ATOM 940 OE2 GLU A 164 -9.622 8.070 5.611 1.00 0.00 O ATOM 0 H GLU A 164 -9.337 5.307 2.027 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.907 4.259 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.735 5.533 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -12.167 5.280 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.942 7.095 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.530 7.621 3.691 1.00 0.00 H new ATOM 947 N LYS A 165 -11.439 2.664 2.076 1.00 0.00 N ATOM 948 CA LYS A 165 -12.125 1.412 1.692 1.00 0.00 C ATOM 949 C LYS A 165 -11.365 0.170 2.176 1.00 0.00 C ATOM 950 O LYS A 165 -11.951 -0.736 2.766 1.00 0.00 O ATOM 951 CB LYS A 165 -12.300 1.391 0.161 1.00 0.00 C ATOM 952 CG LYS A 165 -13.154 0.214 -0.342 1.00 0.00 C ATOM 953 CD LYS A 165 -13.040 -0.002 -1.859 1.00 0.00 C ATOM 954 CE LYS A 165 -13.445 1.227 -2.687 1.00 0.00 C ATOM 955 NZ LYS A 165 -13.385 0.936 -4.144 1.00 0.00 N ATOM 0 H LYS A 165 -11.248 3.275 1.282 1.00 0.00 H new ATOM 0 HA LYS A 165 -13.102 1.384 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.761 2.326 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.318 1.344 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.848 -0.696 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.198 0.392 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -12.012 -0.272 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -13.668 -0.846 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -14.455 1.535 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -12.784 2.061 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -13.513 1.818 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -12.460 0.521 -4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -14.139 0.265 -4.395 1.00 0.00 H new ATOM 969 N VAL A 166 -10.051 0.159 1.952 1.00 0.00 N ATOM 970 CA VAL A 166 -9.118 -0.899 2.361 1.00 0.00 C ATOM 971 C VAL A 166 -8.977 -0.943 3.887 1.00 0.00 C ATOM 972 O VAL A 166 -9.119 -2.009 4.485 1.00 0.00 O ATOM 973 CB VAL A 166 -7.747 -0.673 1.693 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.730 -1.730 2.124 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.818 -0.716 0.159 1.00 0.00 C ATOM 0 H VAL A 166 -9.584 0.920 1.459 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.515 -1.861 2.036 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.437 0.320 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.776 -1.538 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.597 -1.687 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.091 -2.719 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.824 -0.551 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.187 -1.690 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.493 0.062 -0.196 1.00 0.00 H new ATOM 985 N CYS A 167 -8.730 0.200 4.535 1.00 0.00 N ATOM 986 CA CYS A 167 -8.502 0.267 5.984 1.00 0.00 C ATOM 987 C CYS A 167 -9.715 -0.137 6.843 1.00 0.00 C ATOM 988 O CYS A 167 -9.540 -0.738 7.903 1.00 0.00 O ATOM 989 CB CYS A 167 -7.989 1.657 6.381 1.00 0.00 C ATOM 990 SG CYS A 167 -6.264 1.849 5.843 1.00 0.00 S ATOM 0 H CYS A 167 -8.682 1.107 4.070 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.740 -0.482 6.197 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.610 2.428 5.926 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -8.060 1.787 7.461 1.00 0.00 H new ATOM 0 HG CYS A 167 -6.237 2.301 4.624 1.00 0.00 H new ATOM 996 N GLU A 168 -10.942 0.140 6.390 1.00 0.00 N ATOM 997 CA GLU A 168 -12.179 -0.272 7.078 1.00 0.00 C ATOM 998 C GLU A 168 -12.395 -1.799 7.125 1.00 0.00 C ATOM 999 O GLU A 168 -13.112 -2.294 7.999 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.392 0.421 6.428 1.00 0.00 C ATOM 1001 CG GLU A 168 -13.516 1.914 6.789 1.00 0.00 C ATOM 1002 CD GLU A 168 -13.950 2.197 8.245 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -14.305 1.262 9.005 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -13.957 3.389 8.643 1.00 0.00 O ATOM 0 H GLU A 168 -11.110 0.660 5.529 1.00 0.00 H new ATOM 0 HA GLU A 168 -12.072 0.043 8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.319 0.323 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -14.302 -0.095 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -12.555 2.397 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.235 2.378 6.114 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.762 -2.563 6.224 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.789 -4.038 6.228 1.00 0.00 C ATOM 1013 C ILE A 169 -10.914 -4.611 7.360 1.00 0.00 C ATOM 1014 O ILE A 169 -11.259 -5.640 7.946 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.383 -4.571 4.835 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.451 -4.157 3.791 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.200 -6.097 4.813 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -11.970 -4.244 2.341 1.00 0.00 C ATOM 0 H ILE A 169 -11.209 -2.172 5.461 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.805 -4.377 6.431 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.418 -4.129 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.328 -4.794 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.769 -3.135 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.915 -6.415 3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.419 -6.380 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -12.136 -6.580 5.095 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.774 -3.938 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.112 -3.586 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.680 -5.270 2.115 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.827 -3.907 7.710 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.866 -4.168 8.802 1.00 0.00 C ATOM 1032 C HIS A 170 -8.018 -5.444 8.649 1.00 0.00 C ATOM 1033 O HIS A 170 -6.789 -5.369 8.685 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.577 -4.080 10.165 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.669 -4.048 11.375 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -9.070 -4.364 12.678 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -7.347 -3.708 11.398 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.978 -4.220 13.448 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.931 -3.830 12.703 1.00 0.00 N ATOM 0 H HIS A 170 -9.572 -3.066 7.193 1.00 0.00 H new ATOM 0 HA HIS A 170 -8.119 -3.376 8.740 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -10.197 -3.183 10.174 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -10.249 -4.933 10.260 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.745 -3.403 10.555 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.947 -4.393 14.514 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.987 -3.654 13.047 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.656 -6.595 8.428 1.00 0.00 N ATOM 1048 CA PHE A 171 -8.019 -7.879 8.115 1.00 0.00 C ATOM 1049 C PHE A 171 -8.235 -8.420 6.697 1.00 0.00 C ATOM 1050 O PHE A 171 -9.366 -8.648 6.266 1.00 0.00 O ATOM 1051 CB PHE A 171 -8.180 -8.915 9.235 1.00 0.00 C ATOM 1052 CG PHE A 171 -7.219 -8.711 10.392 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -5.980 -9.381 10.400 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -7.548 -7.838 11.448 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -5.080 -9.190 11.464 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -6.644 -7.643 12.508 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.412 -8.320 12.517 1.00 0.00 C ATOM 0 H PHE A 171 -9.673 -6.662 8.463 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.956 -7.640 8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -9.202 -8.876 9.611 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -8.031 -9.912 8.821 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -5.720 -10.043 9.587 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -8.495 -7.318 11.444 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -4.134 -9.712 11.472 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -6.897 -6.972 13.316 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.720 -8.172 13.333 1.00 0.00 H new ATOM 1067 N HIS A 172 -7.130 -8.634 5.984 1.00 0.00 N ATOM 1068 CA HIS A 172 -7.049 -9.015 4.570 1.00 0.00 C ATOM 1069 C HIS A 172 -6.362 -10.379 4.410 1.00 0.00 C ATOM 1070 O HIS A 172 -5.734 -10.861 5.351 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.300 -7.901 3.828 1.00 0.00 C ATOM 1072 CG HIS A 172 -7.079 -6.610 3.702 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.842 -6.218 2.597 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.148 -5.623 4.644 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.323 -4.999 2.890 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.914 -4.617 4.107 1.00 0.00 N ATOM 0 H HIS A 172 -6.205 -8.540 6.404 1.00 0.00 H new ATOM 0 HA HIS A 172 -8.046 -9.126 4.144 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.364 -7.699 4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -6.040 -8.255 2.830 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.689 -5.632 5.622 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.950 -4.410 2.237 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.134 -3.729 4.559 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.456 -11.016 3.241 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.949 -12.383 3.024 1.00 0.00 C ATOM 1086 C GLU A 173 -5.089 -12.487 1.755 1.00 0.00 C ATOM 1087 O GLU A 173 -5.598 -12.351 0.642 1.00 0.00 O ATOM 1088 CB GLU A 173 -7.130 -13.369 3.003 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.658 -14.833 2.963 1.00 0.00 C ATOM 1090 CD GLU A 173 -7.813 -15.859 2.947 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -9.012 -15.484 2.971 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -7.515 -17.077 2.894 1.00 0.00 O ATOM 0 H GLU A 173 -6.886 -10.602 2.413 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.290 -12.645 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.749 -13.212 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.756 -13.166 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -6.040 -14.982 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -6.025 -15.025 3.830 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.788 -12.761 1.913 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.793 -12.776 0.824 1.00 0.00 C ATOM 1101 C ILE A 174 -2.013 -14.095 0.868 1.00 0.00 C ATOM 1102 O ILE A 174 -1.547 -14.502 1.932 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.862 -11.536 0.885 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.682 -10.232 1.054 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.978 -11.492 -0.378 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.881 -8.927 0.993 1.00 0.00 C ATOM 0 H ILE A 174 -3.384 -12.984 2.823 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.309 -12.715 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.214 -11.619 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.447 -10.203 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.201 -10.273 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.324 -10.621 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.373 -12.397 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.611 -11.427 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.555 -8.080 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -1.134 -8.921 1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.384 -8.850 0.026 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.915 -14.794 -0.272 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.372 -16.160 -0.373 1.00 0.00 C ATOM 1120 C ASN A 175 -1.967 -17.120 0.689 1.00 0.00 C ATOM 1121 O ASN A 175 -1.247 -17.843 1.381 1.00 0.00 O ATOM 1122 CB ASN A 175 0.169 -16.127 -0.424 1.00 0.00 C ATOM 1123 CG ASN A 175 0.732 -15.490 -1.685 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.180 -15.577 -2.775 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.885 -14.879 -1.582 1.00 0.00 N ATOM 0 H ASN A 175 -2.217 -14.418 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.696 -16.593 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.540 -15.581 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.547 -17.146 -0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.324 -14.475 -2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.345 -14.807 -0.674 1.00 0.00 H new ATOM 1132 N ASN A 176 -3.296 -17.058 0.857 1.00 0.00 N ATOM 1133 CA ASN A 176 -4.105 -17.768 1.860 1.00 0.00 C ATOM 1134 C ASN A 176 -3.648 -17.604 3.333 1.00 0.00 C ATOM 1135 O ASN A 176 -3.821 -18.518 4.147 1.00 0.00 O ATOM 1136 CB ASN A 176 -4.417 -19.216 1.417 1.00 0.00 C ATOM 1137 CG ASN A 176 -3.215 -20.143 1.319 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -2.762 -20.507 0.240 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -2.705 -20.609 2.437 1.00 0.00 N ATOM 0 H ASN A 176 -3.874 -16.471 0.255 1.00 0.00 H new ATOM 0 HA ASN A 176 -5.063 -17.249 1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -5.130 -19.647 2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -4.908 -19.182 0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -1.932 -21.274 2.407 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -3.082 -20.306 3.335 1.00 0.00 H new ATOM 1146 N LYS A 177 -3.072 -16.443 3.685 1.00 0.00 N ATOM 1147 CA LYS A 177 -2.635 -16.074 5.046 1.00 0.00 C ATOM 1148 C LYS A 177 -3.163 -14.678 5.417 1.00 0.00 C ATOM 1149 O LYS A 177 -3.237 -13.795 4.563 1.00 0.00 O ATOM 1150 CB LYS A 177 -1.097 -16.226 5.117 1.00 0.00 C ATOM 1151 CG LYS A 177 -0.535 -16.330 6.546 1.00 0.00 C ATOM 1152 CD LYS A 177 -0.177 -14.978 7.177 1.00 0.00 C ATOM 1153 CE LYS A 177 -0.077 -15.129 8.701 1.00 0.00 C ATOM 1154 NZ LYS A 177 -0.039 -13.805 9.366 1.00 0.00 N ATOM 0 H LYS A 177 -2.890 -15.705 3.004 1.00 0.00 H new ATOM 0 HA LYS A 177 -3.056 -16.739 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -0.806 -17.116 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.636 -15.373 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -1.268 -16.831 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 177 0.355 -16.959 6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.770 -14.617 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -0.934 -14.236 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -0.929 -15.701 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 177 0.820 -15.693 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 0.012 -13.935 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 0.797 -13.278 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -0.899 -13.271 9.126 1.00 0.00 H new ATOM 1168 N MET A 178 -3.563 -14.478 6.676 1.00 0.00 N ATOM 1169 CA MET A 178 -4.224 -13.256 7.150 1.00 0.00 C ATOM 1170 C MET A 178 -3.213 -12.167 7.510 1.00 0.00 C ATOM 1171 O MET A 178 -2.233 -12.437 8.211 1.00 0.00 O ATOM 1172 CB MET A 178 -5.125 -13.545 8.361 1.00 0.00 C ATOM 1173 CG MET A 178 -6.280 -14.513 8.063 1.00 0.00 C ATOM 1174 SD MET A 178 -7.357 -14.091 6.662 1.00 0.00 S ATOM 1175 CE MET A 178 -8.056 -12.512 7.220 1.00 0.00 C ATOM 0 H MET A 178 -3.434 -15.174 7.410 1.00 0.00 H new ATOM 0 HA MET A 178 -4.841 -12.894 6.327 1.00 0.00 H new ATOM 0 HB2 MET A 178 -4.515 -13.959 9.164 1.00 0.00 H new ATOM 0 HB3 MET A 178 -5.538 -12.605 8.727 1.00 0.00 H new ATOM 0 HG2 MET A 178 -5.858 -15.501 7.882 1.00 0.00 H new ATOM 0 HG3 MET A 178 -6.899 -14.590 8.957 1.00 0.00 H new ATOM 0 HE1 MET A 178 -8.739 -12.128 6.462 1.00 0.00 H new ATOM 0 HE2 MET A 178 -8.598 -12.664 8.153 1.00 0.00 H new ATOM 0 HE3 MET A 178 -7.251 -11.794 7.380 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.475 -10.934 7.079 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.628 -9.760 7.329 1.00 0.00 C ATOM 1187 C VAL A 179 -3.450 -8.546 7.763 1.00 0.00 C ATOM 1188 O VAL A 179 -4.624 -8.417 7.415 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.746 -9.407 6.113 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.844 -10.579 5.726 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.539 -8.964 4.877 1.00 0.00 C ATOM 0 H VAL A 179 -4.306 -10.714 6.530 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.966 -10.033 8.151 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.146 -8.557 6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.234 -10.301 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.195 -10.831 6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.459 -11.442 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.849 -8.733 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.208 -9.767 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.124 -8.077 5.119 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.828 -7.643 8.519 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.474 -6.424 9.031 1.00 0.00 C ATOM 1203 C GLU A 180 -3.112 -5.187 8.193 1.00 0.00 C ATOM 1204 O GLU A 180 -1.927 -4.898 8.003 1.00 0.00 O ATOM 1205 CB GLU A 180 -3.080 -6.208 10.503 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.909 -5.091 11.160 1.00 0.00 C ATOM 1207 CD GLU A 180 -3.578 -4.848 12.648 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -2.716 -5.550 13.226 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -4.188 -3.935 13.252 1.00 0.00 O ATOM 0 H GLU A 180 -1.851 -7.733 8.799 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.553 -6.559 8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -3.219 -7.137 11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -2.021 -5.957 10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.751 -4.164 10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.967 -5.339 11.071 1.00 0.00 H new ATOM 1216 N CYS A 181 -4.112 -4.429 7.726 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.898 -3.100 7.145 1.00 0.00 C ATOM 1218 C CYS A 181 -3.972 -2.017 8.238 1.00 0.00 C ATOM 1219 O CYS A 181 -4.877 -2.028 9.081 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.874 -2.816 5.992 1.00 0.00 C ATOM 1221 SG CYS A 181 -6.595 -2.853 6.555 1.00 0.00 S ATOM 0 H CYS A 181 -5.090 -4.720 7.741 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.897 -3.077 6.715 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -4.653 -1.841 5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.732 -3.555 5.203 1.00 0.00 H new ATOM 0 HG CYS A 181 -6.726 -2.091 7.600 1.00 0.00 H new ATOM 1227 N LYS A 182 -3.045 -1.054 8.208 1.00 0.00 N ATOM 1228 CA LYS A 182 -3.009 0.116 9.111 1.00 0.00 C ATOM 1229 C LYS A 182 -2.579 1.343 8.308 1.00 0.00 C ATOM 1230 O LYS A 182 -1.778 1.202 7.388 1.00 0.00 O ATOM 1231 CB LYS A 182 -2.037 -0.120 10.293 1.00 0.00 C ATOM 1232 CG LYS A 182 -2.219 -1.461 11.033 1.00 0.00 C ATOM 1233 CD LYS A 182 -1.189 -1.698 12.149 1.00 0.00 C ATOM 1234 CE LYS A 182 0.235 -1.825 11.590 1.00 0.00 C ATOM 1235 NZ LYS A 182 1.196 -2.313 12.611 1.00 0.00 N ATOM 0 H LYS A 182 -2.275 -1.061 7.539 1.00 0.00 H new ATOM 0 HA LYS A 182 -4.003 0.274 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -1.015 -0.065 9.919 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -2.158 0.692 11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -3.220 -1.496 11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -2.153 -2.275 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -1.228 -0.874 12.861 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -1.447 -2.605 12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 182 0.231 -2.509 10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.565 -0.856 11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 2.058 -2.656 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 1.440 -1.536 13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 0.764 -3.090 13.151 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.045 2.549 8.636 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.542 3.781 7.988 1.00 0.00 C ATOM 1251 C LYS A 183 -1.066 4.016 8.332 1.00 0.00 C ATOM 1252 O LYS A 183 -0.655 3.836 9.482 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.443 4.981 8.322 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.787 4.865 7.580 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.808 5.902 8.059 1.00 0.00 C ATOM 1256 CE LYS A 183 -7.144 5.651 7.349 1.00 0.00 C ATOM 1257 NZ LYS A 183 -8.208 6.566 7.830 1.00 0.00 N ATOM 0 H LYS A 183 -3.765 2.708 9.341 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.587 3.656 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.616 5.026 9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.944 5.908 8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.621 4.990 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.194 3.864 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.937 5.833 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.451 6.909 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -7.014 5.779 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.453 4.618 7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -9.125 6.267 7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -8.247 6.538 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -7.999 7.536 7.518 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.254 4.371 7.335 1.00 0.00 N ATOM 1272 CA ALA A 184 1.188 4.535 7.510 1.00 0.00 C ATOM 1273 C ALA A 184 1.514 5.824 8.288 1.00 0.00 C ATOM 1274 O ALA A 184 1.232 6.931 7.821 1.00 0.00 O ATOM 1275 CB ALA A 184 1.869 4.505 6.136 1.00 0.00 C ATOM 0 H ALA A 184 -0.578 4.552 6.385 1.00 0.00 H new ATOM 0 HA ALA A 184 1.575 3.710 8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.945 4.627 6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.666 3.551 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.481 5.316 5.520 1.00 0.00 H new