USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 467 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 Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= -0.0267 (180deg=-0.162) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 80:sc= -2.02! USER MOD Single : A 105 THR OG1 : rot 25:sc= 0.156 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.285 F(o=-3!,f=-0.28) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 33:sc= 0.465 USER MOD Single : A 135 HIS : no HD1:sc= -0.631 K(o=-0.63,f=-6.6!) USER MOD Single : A 139 SER OG : rot 120:sc= 0.976 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 30:sc= -2.17! USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -121:sc= -0.756! USER MOD Single : A 153 LYS NZ :NH3+ -119:sc= -7.05! (180deg=-9!) USER MOD Single : A 155 HIS : no HD1:sc= -0.347 K(o=-0.35,f=-0.87) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 159 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 18.402 0.826 -6.875 1.00 0.00 N ATOM 80 CA ARG A 97 17.288 -0.039 -7.254 1.00 0.00 C ATOM 81 C ARG A 97 16.083 0.184 -6.342 1.00 0.00 C ATOM 82 O ARG A 97 15.572 -0.754 -5.727 1.00 0.00 O ATOM 83 CB ARG A 97 17.717 -1.509 -7.223 1.00 0.00 C ATOM 84 CG ARG A 97 18.352 -1.941 -5.911 1.00 0.00 C ATOM 85 CD ARG A 97 18.791 -3.396 -5.962 1.00 0.00 C ATOM 86 NE ARG A 97 19.491 -3.808 -4.746 1.00 0.00 N ATOM 87 CZ ARG A 97 18.927 -3.846 -3.542 1.00 0.00 C ATOM 88 NH1 ARG A 97 17.654 -3.508 -3.388 1.00 0.00 N ATOM 89 NH2 ARG A 97 19.638 -4.228 -2.489 1.00 0.00 N ATOM 0 HA ARG A 97 16.993 0.218 -8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.846 -2.135 -7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 97 18.424 -1.687 -8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 97 19.212 -1.307 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.640 -1.802 -5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.918 -4.032 -6.109 1.00 0.00 H new ATOM 0 HD3 ARG A 97 19.443 -3.546 -6.822 1.00 0.00 H new ATOM 0 HE ARG A 97 20.470 -4.083 -4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.102 -3.217 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.226 -3.539 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.617 -4.492 -2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.206 -4.257 -1.565 1.00 0.00 H new ATOM 103 N ILE A 98 15.636 1.434 -6.260 1.00 0.00 N ATOM 104 CA ILE A 98 14.495 1.794 -5.426 1.00 0.00 C ATOM 105 C ILE A 98 13.286 0.900 -5.694 1.00 0.00 C ATOM 106 O ILE A 98 13.083 0.425 -6.811 1.00 0.00 O ATOM 107 CB ILE A 98 14.101 3.276 -5.621 1.00 0.00 C ATOM 108 CG1 ILE A 98 14.121 3.667 -7.106 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.033 4.176 -4.824 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.006 3.056 -7.925 1.00 0.00 C ATOM 0 H ILE A 98 16.050 2.218 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 98 14.807 1.644 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 98 13.083 3.406 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 98 14.061 4.753 -7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 98 15.077 3.368 -7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.746 5.217 -4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.964 3.925 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 98 16.058 4.032 -5.165 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.094 3.383 -8.961 1.00 0.00 H new ATOM 0 HD12 ILE A 98 13.075 1.969 -7.881 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.044 3.375 -7.524 1.00 0.00 H new ATOM 122 N CYS A 99 12.491 0.670 -4.652 1.00 0.00 N ATOM 123 CA CYS A 99 11.301 -0.169 -4.760 1.00 0.00 C ATOM 124 C CYS A 99 10.326 0.394 -5.787 1.00 0.00 C ATOM 125 O CYS A 99 10.180 1.610 -5.919 1.00 0.00 O ATOM 126 CB CYS A 99 10.608 -0.296 -3.403 1.00 0.00 C ATOM 127 SG CYS A 99 11.581 -1.186 -2.146 1.00 0.00 S ATOM 0 H CYS A 99 12.650 1.054 -3.721 1.00 0.00 H new ATOM 0 HA CYS A 99 11.620 -1.158 -5.090 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.380 0.702 -3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.657 -0.810 -3.540 1.00 0.00 H new ATOM 132 N SER A 100 9.662 -0.503 -6.511 1.00 0.00 N ATOM 133 CA SER A 100 8.697 -0.111 -7.531 1.00 0.00 C ATOM 134 C SER A 100 7.727 0.940 -6.999 1.00 0.00 C ATOM 135 O SER A 100 7.067 0.729 -5.981 1.00 0.00 O ATOM 136 CB SER A 100 7.918 -1.339 -8.009 1.00 0.00 C ATOM 137 OG SER A 100 8.785 -2.304 -8.580 1.00 0.00 O ATOM 0 H SER A 100 9.776 -1.511 -6.408 1.00 0.00 H new ATOM 0 HA SER A 100 9.245 0.323 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.379 -1.781 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.172 -1.037 -8.744 1.00 0.00 H new ATOM 0 HG SER A 100 8.263 -3.079 -8.876 1.00 0.00 H new ATOM 143 N LYS A 101 7.642 2.069 -7.696 1.00 0.00 N ATOM 144 CA LYS A 101 6.746 3.149 -7.293 1.00 0.00 C ATOM 145 C LYS A 101 5.335 2.913 -7.823 1.00 0.00 C ATOM 146 O LYS A 101 4.504 3.821 -7.829 1.00 0.00 O ATOM 147 CB LYS A 101 7.272 4.495 -7.795 1.00 0.00 C ATOM 148 CG LYS A 101 7.431 4.561 -9.306 1.00 0.00 C ATOM 149 CD LYS A 101 7.850 5.950 -9.769 1.00 0.00 C ATOM 150 CE LYS A 101 9.184 6.366 -9.168 1.00 0.00 C ATOM 151 NZ LYS A 101 10.277 5.424 -9.533 1.00 0.00 N ATOM 0 H LYS A 101 8.181 2.260 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 101 6.709 3.166 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.591 5.284 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.236 4.696 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.175 3.831 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.490 4.287 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.921 5.965 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.084 6.673 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.440 7.369 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.094 6.414 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.194 5.836 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.142 4.524 -9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.260 5.254 -10.559 1.00 0.00 H new ATOM 165 N SER A 102 5.071 1.688 -8.263 1.00 0.00 N ATOM 166 CA SER A 102 3.760 1.330 -8.789 1.00 0.00 C ATOM 167 C SER A 102 2.711 1.360 -7.685 1.00 0.00 C ATOM 168 O SER A 102 1.559 1.729 -7.914 1.00 0.00 O ATOM 169 CB SER A 102 3.804 -0.060 -9.430 1.00 0.00 C ATOM 170 OG SER A 102 4.738 -0.101 -10.495 1.00 0.00 O ATOM 0 H SER A 102 5.749 0.926 -8.266 1.00 0.00 H new ATOM 0 HA SER A 102 3.487 2.062 -9.549 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.072 -0.802 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.814 -0.325 -9.800 1.00 0.00 H new ATOM 0 HG SER A 102 4.749 -0.999 -10.886 1.00 0.00 H new ATOM 176 N TYR A 103 3.124 0.963 -6.487 1.00 0.00 N ATOM 177 CA TYR A 103 2.231 0.933 -5.334 1.00 0.00 C ATOM 178 C TYR A 103 1.650 2.314 -5.043 1.00 0.00 C ATOM 179 O TYR A 103 0.572 2.427 -4.462 1.00 0.00 O ATOM 180 CB TYR A 103 2.968 0.397 -4.102 1.00 0.00 C ATOM 181 CG TYR A 103 3.401 -1.048 -4.237 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.267 -1.448 -5.249 1.00 0.00 C ATOM 183 CD2 TYR A 103 2.943 -2.012 -3.350 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.662 -2.766 -5.372 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.333 -3.332 -3.465 1.00 0.00 C ATOM 186 CZ TYR A 103 4.192 -3.704 -4.478 1.00 0.00 C ATOM 187 OH TYR A 103 4.583 -5.018 -4.597 1.00 0.00 O ATOM 0 H TYR A 103 4.076 0.656 -6.288 1.00 0.00 H new ATOM 0 HA TYR A 103 1.403 0.264 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.846 1.015 -3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.320 0.494 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.637 -0.715 -5.951 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.270 -1.725 -2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.335 -3.060 -6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.967 -4.069 -2.765 1.00 0.00 H new ATOM 0 HH TYR A 103 5.476 -5.130 -4.210 1.00 0.00 H new ATOM 197 N LEU A 104 2.368 3.360 -5.449 1.00 0.00 N ATOM 198 CA LEU A 104 1.914 4.731 -5.229 1.00 0.00 C ATOM 199 C LEU A 104 0.472 4.914 -5.694 1.00 0.00 C ATOM 200 O LEU A 104 -0.310 5.618 -5.056 1.00 0.00 O ATOM 201 CB LEU A 104 2.823 5.725 -5.958 1.00 0.00 C ATOM 202 CG LEU A 104 4.260 5.801 -5.436 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.064 6.808 -6.245 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.276 6.169 -3.960 1.00 0.00 C ATOM 0 H LEU A 104 3.264 3.284 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 104 1.961 4.926 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.851 5.459 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.377 6.717 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 104 4.720 4.819 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.084 6.851 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.082 6.503 -7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.603 7.792 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.307 6.218 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.799 7.139 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.734 5.414 -3.391 1.00 0.00 H new ATOM 216 N THR A 105 0.127 4.276 -6.809 1.00 0.00 N ATOM 217 CA THR A 105 -1.222 4.372 -7.353 1.00 0.00 C ATOM 218 C THR A 105 -2.104 3.239 -6.838 1.00 0.00 C ATOM 219 O THR A 105 -1.742 2.066 -6.929 1.00 0.00 O ATOM 220 CB THR A 105 -1.212 4.339 -8.892 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.582 3.140 -9.354 1.00 0.00 O ATOM 222 CG2 THR A 105 -0.483 5.552 -9.454 1.00 0.00 C ATOM 0 H THR A 105 0.761 3.689 -7.351 1.00 0.00 H new ATOM 0 HA THR A 105 -1.629 5.327 -7.021 1.00 0.00 H new ATOM 0 HB THR A 105 -2.245 4.361 -9.240 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.659 2.445 -8.668 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.488 5.507 -10.543 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.985 6.462 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.547 5.556 -9.096 1.00 0.00 H new ATOM 230 N LEU A 106 -3.263 3.601 -6.295 1.00 0.00 N ATOM 231 CA LEU A 106 -4.200 2.619 -5.763 1.00 0.00 C ATOM 232 C LEU A 106 -5.636 3.079 -6.000 1.00 0.00 C ATOM 233 O LEU A 106 -6.023 4.173 -5.591 1.00 0.00 O ATOM 234 CB LEU A 106 -3.937 2.410 -4.264 1.00 0.00 C ATOM 235 CG LEU A 106 -4.646 1.212 -3.619 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.057 0.931 -2.244 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.141 1.459 -3.504 1.00 0.00 C ATOM 0 H LEU A 106 -3.575 4.569 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.056 1.669 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.863 2.295 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.237 3.314 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.492 0.343 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.568 0.079 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.995 0.706 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.185 1.806 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.618 0.594 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.318 2.341 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.561 1.619 -4.497 1.00 0.00 H new ATOM 249 N GLU A 107 -6.421 2.237 -6.665 1.00 0.00 N ATOM 250 CA GLU A 107 -7.813 2.559 -6.961 1.00 0.00 C ATOM 251 C GLU A 107 -8.686 2.447 -5.716 1.00 0.00 C ATOM 252 O GLU A 107 -8.648 1.441 -5.008 1.00 0.00 O ATOM 253 CB GLU A 107 -8.355 1.638 -8.055 1.00 0.00 C ATOM 254 CG GLU A 107 -7.658 1.811 -9.395 1.00 0.00 C ATOM 255 CD GLU A 107 -8.214 0.891 -10.466 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.144 0.115 -10.159 1.00 0.00 O ATOM 257 OE2 GLU A 107 -7.720 0.947 -11.611 1.00 0.00 O ATOM 0 H GLU A 107 -6.117 1.326 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.844 3.591 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.251 0.602 -7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.421 1.826 -8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.759 2.846 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.592 1.618 -9.273 1.00 0.00 H new ATOM 264 N ASN A 108 -9.482 3.482 -5.468 1.00 0.00 N ATOM 265 CA ASN A 108 -10.381 3.503 -4.320 1.00 0.00 C ATOM 266 C ASN A 108 -9.607 3.385 -3.010 1.00 0.00 C ATOM 267 O ASN A 108 -9.968 2.598 -2.134 1.00 0.00 O ATOM 268 CB ASN A 108 -11.403 2.367 -4.425 1.00 0.00 C ATOM 269 CG ASN A 108 -12.227 2.426 -5.701 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.955 3.413 -6.551 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -13.101 1.589 -5.924 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.523 4.320 -6.049 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.905 4.459 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.881 1.411 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.072 2.406 -3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.281 0.847 -5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.646 1.638 -6.785 1.00 0.00 H new ATOM 278 N GLY A 109 -8.543 4.173 -2.876 1.00 0.00 N ATOM 279 CA GLY A 109 -7.747 4.131 -1.663 1.00 0.00 C ATOM 280 C GLY A 109 -6.651 5.178 -1.635 1.00 0.00 C ATOM 281 O GLY A 109 -6.591 6.053 -2.501 1.00 0.00 O ATOM 0 H GLY A 109 -8.220 4.835 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.400 4.274 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.299 3.142 -1.563 1.00 0.00 H new ATOM 285 N LYS A 110 -5.783 5.084 -0.632 1.00 0.00 N ATOM 286 CA LYS A 110 -4.677 6.021 -0.473 1.00 0.00 C ATOM 287 C LYS A 110 -3.427 5.299 0.022 1.00 0.00 C ATOM 288 O LYS A 110 -3.518 4.341 0.789 1.00 0.00 O ATOM 289 CB LYS A 110 -5.052 7.129 0.516 1.00 0.00 C ATOM 290 CG LYS A 110 -6.239 7.974 0.080 1.00 0.00 C ATOM 291 CD LYS A 110 -5.924 8.792 -1.162 1.00 0.00 C ATOM 292 CE LYS A 110 -7.086 9.695 -1.541 1.00 0.00 C ATOM 293 NZ LYS A 110 -6.772 10.543 -2.725 1.00 0.00 N ATOM 0 H LYS A 110 -5.826 4.362 0.088 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.469 6.465 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.276 6.678 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.190 7.780 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.093 7.326 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.527 8.642 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.034 9.396 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.695 8.123 -1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.964 9.085 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.340 10.334 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.591 11.143 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.950 11.144 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.555 9.935 -3.540 1.00 0.00 H new ATOM 307 N VAL A 111 -2.262 5.764 -0.416 1.00 0.00 N ATOM 308 CA VAL A 111 -0.999 5.160 -0.008 1.00 0.00 C ATOM 309 C VAL A 111 -0.251 6.077 0.957 1.00 0.00 C ATOM 310 O VAL A 111 -0.042 7.255 0.671 1.00 0.00 O ATOM 311 CB VAL A 111 -0.105 4.856 -1.226 1.00 0.00 C ATOM 312 CG1 VAL A 111 1.196 4.202 -0.792 1.00 0.00 C ATOM 313 CG2 VAL A 111 -0.843 3.972 -2.221 1.00 0.00 C ATOM 0 H VAL A 111 -2.166 6.556 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.233 4.222 0.495 1.00 0.00 H new ATOM 0 HB VAL A 111 0.137 5.799 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.810 3.997 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.734 4.872 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.979 3.268 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.197 3.767 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.117 3.033 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.744 4.482 -2.562 1.00 0.00 H new ATOM 323 N PHE A 112 0.139 5.529 2.106 1.00 0.00 N ATOM 324 CA PHE A 112 0.855 6.297 3.122 1.00 0.00 C ATOM 325 C PHE A 112 2.294 5.814 3.264 1.00 0.00 C ATOM 326 O PHE A 112 2.650 5.192 4.264 1.00 0.00 O ATOM 327 CB PHE A 112 0.144 6.196 4.476 1.00 0.00 C ATOM 328 CG PHE A 112 -1.204 6.862 4.518 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.196 6.518 3.613 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.478 7.831 5.470 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.435 7.130 3.657 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.715 8.445 5.520 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.695 8.094 4.612 1.00 0.00 C ATOM 0 H PHE A 112 -0.029 4.555 2.357 1.00 0.00 H new ATOM 0 HA PHE A 112 0.867 7.338 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.024 5.143 4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.780 6.641 5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.999 5.764 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.715 8.110 6.182 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.199 6.855 2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.915 9.198 6.268 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.663 8.572 4.649 1.00 0.00 H new ATOM 343 N LEU A 113 3.111 6.099 2.252 1.00 0.00 N ATOM 344 CA LEU A 113 4.514 5.693 2.252 1.00 0.00 C ATOM 345 C LEU A 113 5.329 6.571 3.204 1.00 0.00 C ATOM 346 O LEU A 113 6.237 7.287 2.780 1.00 0.00 O ATOM 347 CB LEU A 113 5.086 5.778 0.830 1.00 0.00 C ATOM 348 CG LEU A 113 6.260 4.838 0.523 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.685 4.983 -0.931 1.00 0.00 C ATOM 350 CD2 LEU A 113 7.440 5.104 1.446 1.00 0.00 C ATOM 0 H LEU A 113 2.823 6.612 1.418 1.00 0.00 H new ATOM 0 HA LEU A 113 4.577 4.661 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.283 5.568 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.410 6.803 0.650 1.00 0.00 H new ATOM 0 HG LEU A 113 5.924 3.816 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.518 4.311 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.848 4.731 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.994 6.011 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.254 4.421 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.778 6.132 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.135 4.949 2.481 1.00 0.00 H new ATOM 362 N THR A 114 4.996 6.522 4.490 1.00 0.00 N ATOM 363 CA THR A 114 5.701 7.316 5.488 1.00 0.00 C ATOM 364 C THR A 114 7.073 6.724 5.792 1.00 0.00 C ATOM 365 O THR A 114 7.181 5.575 6.223 1.00 0.00 O ATOM 366 CB THR A 114 4.896 7.415 6.798 1.00 0.00 C ATOM 367 OG1 THR A 114 4.654 6.105 7.326 1.00 0.00 O ATOM 368 CG2 THR A 114 3.572 8.127 6.567 1.00 0.00 C ATOM 0 H THR A 114 4.245 5.942 4.864 1.00 0.00 H new ATOM 0 HA THR A 114 5.823 8.315 5.069 1.00 0.00 H new ATOM 0 HB THR A 114 5.481 7.992 7.515 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.409 5.520 7.108 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.021 8.185 7.506 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.760 9.134 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.984 7.573 5.835 1.00 0.00 H new ATOM 376 N GLY A 115 8.119 7.512 5.569 1.00 0.00 N ATOM 377 CA GLY A 115 9.468 7.043 5.829 1.00 0.00 C ATOM 378 C GLY A 115 10.524 7.908 5.170 1.00 0.00 C ATOM 379 O GLY A 115 11.540 8.235 5.784 1.00 0.00 O ATOM 0 H GLY A 115 8.057 8.466 5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.640 7.023 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.568 6.018 5.471 1.00 0.00 H new ATOM 383 N GLY A 116 10.284 8.275 3.916 1.00 0.00 N ATOM 384 CA GLY A 116 11.232 9.099 3.189 1.00 0.00 C ATOM 385 C GLY A 116 10.701 9.543 1.840 1.00 0.00 C ATOM 386 O GLY A 116 9.599 10.084 1.747 1.00 0.00 O ATOM 0 H GLY A 116 9.449 8.016 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 116 11.478 9.977 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.158 8.542 3.046 1.00 0.00 H new ATOM 390 N ASP A 117 11.487 9.313 0.792 1.00 0.00 N ATOM 391 CA ASP A 117 11.093 9.691 -0.559 1.00 0.00 C ATOM 392 C ASP A 117 11.984 9.001 -1.589 1.00 0.00 C ATOM 393 O ASP A 117 12.274 7.812 -1.465 1.00 0.00 O ATOM 394 CB ASP A 117 11.164 11.213 -0.725 1.00 0.00 C ATOM 395 CG ASP A 117 12.553 11.762 -0.459 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.046 11.604 0.677 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.147 12.348 -1.388 1.00 0.00 O ATOM 0 H ASP A 117 12.402 8.866 0.854 1.00 0.00 H new ATOM 0 HA ASP A 117 10.065 9.369 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.859 11.480 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.454 11.683 -0.044 1.00 0.00 H new ATOM 402 N LEU A 118 12.417 9.743 -2.604 1.00 0.00 N ATOM 403 CA LEU A 118 13.272 9.184 -3.643 1.00 0.00 C ATOM 404 C LEU A 118 14.642 9.860 -3.644 1.00 0.00 C ATOM 405 O LEU A 118 14.734 11.087 -3.598 1.00 0.00 O ATOM 406 CB LEU A 118 12.618 9.340 -5.022 1.00 0.00 C ATOM 407 CG LEU A 118 11.312 8.564 -5.235 1.00 0.00 C ATOM 408 CD1 LEU A 118 11.520 7.081 -4.964 1.00 0.00 C ATOM 409 CD2 LEU A 118 10.198 9.119 -4.360 1.00 0.00 C ATOM 0 H LEU A 118 12.190 10.730 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 118 13.405 8.123 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.421 10.399 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.334 9.023 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 118 11.013 8.685 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 118 10.582 6.548 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 118 12.278 6.690 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 118 11.849 6.942 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 118 9.284 8.551 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 118 10.485 9.039 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 118 10.026 10.166 -4.610 1.00 0.00 H new ATOM 421 N PRO A 119 15.733 9.070 -3.701 1.00 0.00 N ATOM 422 CA PRO A 119 15.679 7.612 -3.757 1.00 0.00 C ATOM 423 C PRO A 119 15.767 6.970 -2.373 1.00 0.00 C ATOM 424 O PRO A 119 16.468 5.975 -2.188 1.00 0.00 O ATOM 425 CB PRO A 119 16.926 7.290 -4.570 1.00 0.00 C ATOM 426 CG PRO A 119 17.917 8.334 -4.161 1.00 0.00 C ATOM 427 CD PRO A 119 17.125 9.546 -3.714 1.00 0.00 C ATOM 0 HA PRO A 119 14.745 7.237 -4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.293 6.287 -4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 119 16.724 7.331 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.551 7.968 -3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.575 8.588 -4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.440 9.888 -2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.255 10.384 -4.399 1.00 0.00 H new ATOM 435 N ALA A 120 15.064 7.547 -1.402 1.00 0.00 N ATOM 436 CA ALA A 120 15.077 7.028 -0.038 1.00 0.00 C ATOM 437 C ALA A 120 14.262 5.744 0.086 1.00 0.00 C ATOM 438 O ALA A 120 13.194 5.613 -0.511 1.00 0.00 O ATOM 439 CB ALA A 120 14.556 8.081 0.929 1.00 0.00 C ATOM 0 H ALA A 120 14.479 8.372 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 120 16.109 6.788 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.570 7.682 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.189 8.967 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 120 13.535 8.349 0.659 1.00 0.00 H new ATOM 445 N LEU A 121 14.771 4.803 0.876 1.00 0.00 N ATOM 446 CA LEU A 121 14.088 3.531 1.092 1.00 0.00 C ATOM 447 C LEU A 121 14.712 2.772 2.261 1.00 0.00 C ATOM 448 O LEU A 121 14.809 1.544 2.237 1.00 0.00 O ATOM 449 CB LEU A 121 14.120 2.667 -0.176 1.00 0.00 C ATOM 450 CG LEU A 121 15.500 2.143 -0.590 1.00 0.00 C ATOM 451 CD1 LEU A 121 15.369 1.171 -1.753 1.00 0.00 C ATOM 452 CD2 LEU A 121 16.421 3.293 -0.964 1.00 0.00 C ATOM 0 H LEU A 121 15.654 4.897 1.377 1.00 0.00 H new ATOM 0 HA LEU A 121 13.048 3.750 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.457 1.814 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 121 13.711 3.250 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 121 15.936 1.616 0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.357 0.807 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 121 14.744 0.329 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 121 14.912 1.679 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 121 17.395 2.899 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 121 15.990 3.848 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 121 16.539 3.958 -0.108 1.00 0.00 H new ATOM 464 N ASP A 122 15.125 3.515 3.284 1.00 0.00 N ATOM 465 CA ASP A 122 15.732 2.924 4.475 1.00 0.00 C ATOM 466 C ASP A 122 14.671 2.279 5.365 1.00 0.00 C ATOM 467 O ASP A 122 14.491 2.676 6.517 1.00 0.00 O ATOM 468 CB ASP A 122 16.500 3.986 5.267 1.00 0.00 C ATOM 469 CG ASP A 122 17.658 4.575 4.483 1.00 0.00 C ATOM 470 OD1 ASP A 122 17.879 4.141 3.332 1.00 0.00 O ATOM 471 OD2 ASP A 122 18.346 5.468 5.021 1.00 0.00 O ATOM 0 H ASP A 122 15.050 4.532 3.313 1.00 0.00 H new ATOM 0 HA ASP A 122 16.428 2.151 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.816 4.785 5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.878 3.544 6.189 1.00 0.00 H new ATOM 476 N GLY A 123 13.967 1.293 4.823 1.00 0.00 N ATOM 477 CA GLY A 123 12.929 0.621 5.580 1.00 0.00 C ATOM 478 C GLY A 123 11.677 1.464 5.709 1.00 0.00 C ATOM 479 O GLY A 123 11.053 1.507 6.769 1.00 0.00 O ATOM 0 H GLY A 123 14.097 0.947 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.681 -0.323 5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.306 0.379 6.574 1.00 0.00 H new ATOM 483 N ALA A 124 11.307 2.136 4.621 1.00 0.00 N ATOM 484 CA ALA A 124 10.121 2.981 4.611 1.00 0.00 C ATOM 485 C ALA A 124 8.863 2.158 4.855 1.00 0.00 C ATOM 486 O ALA A 124 8.687 1.087 4.277 1.00 0.00 O ATOM 487 CB ALA A 124 10.018 3.734 3.291 1.00 0.00 C ATOM 0 H ALA A 124 11.813 2.110 3.736 1.00 0.00 H new ATOM 0 HA ALA A 124 10.213 3.705 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.127 4.361 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.901 4.360 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.953 3.021 2.469 1.00 0.00 H new ATOM 493 N ARG A 125 7.990 2.668 5.717 1.00 0.00 N ATOM 494 CA ARG A 125 6.746 1.983 6.047 1.00 0.00 C ATOM 495 C ARG A 125 5.569 2.646 5.343 1.00 0.00 C ATOM 496 O ARG A 125 5.521 3.869 5.219 1.00 0.00 O ATOM 497 CB ARG A 125 6.529 1.995 7.562 1.00 0.00 C ATOM 498 CG ARG A 125 7.648 1.321 8.339 1.00 0.00 C ATOM 499 CD ARG A 125 7.425 1.418 9.839 1.00 0.00 C ATOM 500 NE ARG A 125 7.386 2.803 10.299 1.00 0.00 N ATOM 501 CZ ARG A 125 7.185 3.153 11.566 1.00 0.00 C ATOM 502 NH1 ARG A 125 7.006 2.221 12.494 1.00 0.00 N ATOM 503 NH2 ARG A 125 7.164 4.434 11.907 1.00 0.00 N ATOM 0 H ARG A 125 8.122 3.556 6.201 1.00 0.00 H new ATOM 0 HA ARG A 125 6.815 0.950 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.433 3.027 7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.587 1.496 7.790 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.714 0.273 8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.601 1.784 8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.489 0.923 10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 125 8.222 0.886 10.359 1.00 0.00 H new ATOM 0 HE ARG A 125 7.520 3.543 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.023 1.234 12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.852 2.491 13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 125 7.302 5.153 11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 125 7.010 4.700 12.879 1.00 0.00 H new ATOM 517 N VAL A 126 4.623 1.838 4.872 1.00 0.00 N ATOM 518 CA VAL A 126 3.463 2.371 4.173 1.00 0.00 C ATOM 519 C VAL A 126 2.190 1.593 4.487 1.00 0.00 C ATOM 520 O VAL A 126 2.178 0.357 4.490 1.00 0.00 O ATOM 521 CB VAL A 126 3.679 2.377 2.647 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.034 0.988 2.147 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.443 2.902 1.934 1.00 0.00 C ATOM 0 H VAL A 126 4.638 0.822 4.961 1.00 0.00 H new ATOM 0 HA VAL A 126 3.343 3.394 4.529 1.00 0.00 H new ATOM 0 HB VAL A 126 4.513 3.042 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.182 1.017 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.951 0.651 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.224 0.298 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.615 2.899 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.590 2.265 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.237 3.920 2.265 1.00 0.00 H new ATOM 533 N GLU A 127 1.116 2.340 4.732 1.00 0.00 N ATOM 534 CA GLU A 127 -0.184 1.752 5.032 1.00 0.00 C ATOM 535 C GLU A 127 -1.134 1.973 3.856 1.00 0.00 C ATOM 536 O GLU A 127 -1.390 3.110 3.460 1.00 0.00 O ATOM 537 CB GLU A 127 -0.765 2.371 6.305 1.00 0.00 C ATOM 538 CG GLU A 127 -2.017 1.675 6.813 1.00 0.00 C ATOM 539 CD GLU A 127 -1.750 0.262 7.295 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.315 -0.575 6.477 1.00 0.00 O ATOM 541 OE2 GLU A 127 -1.975 -0.007 8.494 1.00 0.00 O ATOM 0 H GLU A 127 1.123 3.360 4.728 1.00 0.00 H new ATOM 0 HA GLU A 127 -0.060 0.681 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.006 2.349 7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.996 3.419 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.445 2.257 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.761 1.648 6.016 1.00 0.00 H new ATOM 548 N PHE A 128 -1.643 0.883 3.294 1.00 0.00 N ATOM 549 CA PHE A 128 -2.551 0.960 2.153 1.00 0.00 C ATOM 550 C PHE A 128 -4.003 1.117 2.594 1.00 0.00 C ATOM 551 O PHE A 128 -4.864 0.322 2.216 1.00 0.00 O ATOM 552 CB PHE A 128 -2.397 -0.276 1.264 1.00 0.00 C ATOM 553 CG PHE A 128 -1.059 -0.365 0.589 1.00 0.00 C ATOM 554 CD1 PHE A 128 0.110 -0.400 1.333 1.00 0.00 C ATOM 555 CD2 PHE A 128 -0.968 -0.403 -0.793 1.00 0.00 C ATOM 556 CE1 PHE A 128 1.340 -0.473 0.713 1.00 0.00 C ATOM 557 CE2 PHE A 128 0.261 -0.478 -1.419 1.00 0.00 C ATOM 558 CZ PHE A 128 1.417 -0.513 -0.664 1.00 0.00 C ATOM 0 H PHE A 128 -1.443 -0.066 3.609 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.282 1.847 1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.550 -1.170 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.179 -0.267 0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.057 -0.370 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.869 -0.374 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.243 -0.499 1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.318 -0.509 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.379 -0.572 -1.151 1.00 0.00 H new ATOM 568 N ARG A 129 -4.271 2.150 3.383 1.00 0.00 N ATOM 569 CA ARG A 129 -5.623 2.413 3.862 1.00 0.00 C ATOM 570 C ARG A 129 -6.577 2.617 2.690 1.00 0.00 C ATOM 571 O ARG A 129 -6.272 3.356 1.754 1.00 0.00 O ATOM 572 CB ARG A 129 -5.636 3.652 4.759 1.00 0.00 C ATOM 573 CG ARG A 129 -4.694 3.557 5.939 1.00 0.00 C ATOM 574 CD ARG A 129 -4.707 4.829 6.773 1.00 0.00 C ATOM 575 NE ARG A 129 -3.773 4.756 7.895 1.00 0.00 N ATOM 576 CZ ARG A 129 -3.868 3.868 8.880 1.00 0.00 C ATOM 577 NH1 ARG A 129 -4.869 2.998 8.902 1.00 0.00 N ATOM 578 NH2 ARG A 129 -2.962 3.854 9.849 1.00 0.00 N ATOM 0 H ARG A 129 -3.571 2.819 3.705 1.00 0.00 H new ATOM 0 HA ARG A 129 -5.954 1.550 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.370 4.525 4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.649 3.813 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.977 2.710 6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -3.682 3.366 5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.450 5.679 6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.714 5.005 7.150 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.004 5.425 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.570 3.008 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -4.938 2.319 9.660 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.193 4.524 9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.034 3.173 10.605 1.00 0.00 H new ATOM 592 N CYS A 130 -7.730 1.958 2.743 1.00 0.00 N ATOM 593 CA CYS A 130 -8.721 2.075 1.680 1.00 0.00 C ATOM 594 C CYS A 130 -9.680 3.231 1.947 1.00 0.00 C ATOM 595 O CYS A 130 -9.961 3.564 3.098 1.00 0.00 O ATOM 596 CB CYS A 130 -9.509 0.774 1.534 1.00 0.00 C ATOM 597 SG CYS A 130 -10.759 0.823 0.211 1.00 0.00 S ATOM 0 H CYS A 130 -8.000 1.340 3.508 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.187 2.275 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -8.814 -0.042 1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.002 0.550 2.480 1.00 0.00 H new ATOM 602 N ASP A 131 -10.173 3.841 0.871 1.00 0.00 N ATOM 603 CA ASP A 131 -11.099 4.965 0.976 1.00 0.00 C ATOM 604 C ASP A 131 -12.292 4.623 1.866 1.00 0.00 C ATOM 605 O ASP A 131 -12.709 3.466 1.941 1.00 0.00 O ATOM 606 CB ASP A 131 -11.596 5.384 -0.412 1.00 0.00 C ATOM 607 CG ASP A 131 -12.298 4.263 -1.153 1.00 0.00 C ATOM 608 OD1 ASP A 131 -12.361 3.141 -0.612 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.778 4.507 -2.279 1.00 0.00 O ATOM 0 H ASP A 131 -9.945 3.574 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.557 5.794 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.279 6.227 -0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -10.750 5.731 -1.006 1.00 0.00 H new ATOM 614 N PRO A 132 -12.862 5.632 2.550 1.00 0.00 N ATOM 615 CA PRO A 132 -14.018 5.440 3.429 1.00 0.00 C ATOM 616 C PRO A 132 -15.144 4.702 2.718 1.00 0.00 C ATOM 617 O PRO A 132 -15.252 4.762 1.494 1.00 0.00 O ATOM 618 CB PRO A 132 -14.452 6.868 3.795 1.00 0.00 C ATOM 619 CG PRO A 132 -13.697 7.769 2.872 1.00 0.00 C ATOM 620 CD PRO A 132 -12.438 7.037 2.513 1.00 0.00 C ATOM 0 HA PRO A 132 -13.773 4.834 4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -15.528 6.994 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -14.222 7.092 4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.284 7.995 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -13.471 8.720 3.354 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.070 7.323 1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -11.636 7.237 3.224 1.00 0.00 H new ATOM 628 N ASP A 133 -15.965 3.991 3.493 1.00 0.00 N ATOM 629 CA ASP A 133 -17.077 3.216 2.945 1.00 0.00 C ATOM 630 C ASP A 133 -16.564 1.928 2.306 1.00 0.00 C ATOM 631 O ASP A 133 -17.344 1.098 1.838 1.00 0.00 O ATOM 632 CB ASP A 133 -17.871 4.040 1.924 1.00 0.00 C ATOM 633 CG ASP A 133 -19.062 3.286 1.366 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.943 2.896 2.161 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.113 3.086 0.135 1.00 0.00 O ATOM 0 H ASP A 133 -15.879 3.937 4.508 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.746 2.957 3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.217 4.960 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.212 4.329 1.105 1.00 0.00 H new ATOM 640 N PHE A 134 -15.244 1.763 2.311 1.00 0.00 N ATOM 641 CA PHE A 134 -14.609 0.570 1.758 1.00 0.00 C ATOM 642 C PHE A 134 -13.544 0.054 2.720 1.00 0.00 C ATOM 643 O PHE A 134 -12.699 0.818 3.186 1.00 0.00 O ATOM 644 CB PHE A 134 -13.960 0.859 0.400 1.00 0.00 C ATOM 645 CG PHE A 134 -14.901 1.347 -0.661 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.450 2.617 -0.595 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.228 0.534 -1.733 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.310 3.066 -1.577 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.088 0.977 -2.719 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.630 2.246 -2.641 1.00 0.00 C ATOM 0 H PHE A 134 -14.590 2.445 2.694 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.384 -0.183 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.176 1.604 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.476 -0.051 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.202 3.263 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.806 -0.458 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.732 4.058 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.336 0.333 -3.549 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.302 2.596 -3.411 1.00 0.00 H new ATOM 660 N HIS A 135 -13.580 -1.241 3.016 1.00 0.00 N ATOM 661 CA HIS A 135 -12.605 -1.834 3.924 1.00 0.00 C ATOM 662 C HIS A 135 -11.555 -2.637 3.159 1.00 0.00 C ATOM 663 O HIS A 135 -11.887 -3.499 2.345 1.00 0.00 O ATOM 664 CB HIS A 135 -13.305 -2.722 4.956 1.00 0.00 C ATOM 665 CG HIS A 135 -14.103 -3.836 4.355 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.144 -3.628 3.475 1.00 0.00 N ATOM 667 CD2 HIS A 135 -14.011 -5.178 4.515 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.660 -4.793 3.122 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.989 -5.748 3.739 1.00 0.00 N ATOM 0 H HIS A 135 -14.268 -1.896 2.644 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.097 -1.023 4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.556 -3.145 5.625 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.964 -2.104 5.566 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.300 -5.702 5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.489 -4.938 2.445 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -15.169 -6.748 3.653 1.00 0.00 H new ATOM 678 N LEU A 136 -10.285 -2.346 3.432 1.00 0.00 N ATOM 679 CA LEU A 136 -9.180 -3.041 2.777 1.00 0.00 C ATOM 680 C LEU A 136 -9.087 -4.473 3.300 1.00 0.00 C ATOM 681 O LEU A 136 -9.137 -4.705 4.507 1.00 0.00 O ATOM 682 CB LEU A 136 -7.872 -2.276 3.021 1.00 0.00 C ATOM 683 CG LEU A 136 -6.675 -2.695 2.158 1.00 0.00 C ATOM 684 CD1 LEU A 136 -6.176 -4.074 2.553 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.039 -2.661 0.680 1.00 0.00 C ATOM 0 H LEU A 136 -9.996 -1.634 4.102 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.357 -3.083 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.059 -1.215 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.597 -2.392 4.069 1.00 0.00 H new ATOM 0 HG LEU A 136 -5.870 -1.981 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.327 -4.347 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.867 -4.063 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.976 -4.803 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.176 -2.962 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.865 -3.347 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.337 -1.650 0.402 1.00 0.00 H new ATOM 697 N VAL A 137 -8.973 -5.435 2.385 1.00 0.00 N ATOM 698 CA VAL A 137 -8.901 -6.843 2.764 1.00 0.00 C ATOM 699 C VAL A 137 -7.761 -7.569 2.052 1.00 0.00 C ATOM 700 O VAL A 137 -8.001 -8.434 1.209 1.00 0.00 O ATOM 701 CB VAL A 137 -10.223 -7.568 2.448 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.208 -8.988 2.995 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.407 -6.788 3.000 1.00 0.00 C ATOM 0 H VAL A 137 -8.929 -5.265 1.380 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.715 -6.864 3.838 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.328 -7.627 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -11.152 -9.479 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.387 -9.544 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -10.074 -8.960 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.331 -7.316 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.307 -6.692 4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.432 -5.796 2.548 1.00 0.00 H new ATOM 713 N GLY A 138 -6.522 -7.223 2.384 1.00 0.00 N ATOM 714 CA GLY A 138 -5.394 -7.876 1.748 1.00 0.00 C ATOM 715 C GLY A 138 -4.056 -7.421 2.290 1.00 0.00 C ATOM 716 O GLY A 138 -3.869 -7.316 3.502 1.00 0.00 O ATOM 0 H GLY A 138 -6.280 -6.511 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.485 -8.954 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.429 -7.683 0.676 1.00 0.00 H new ATOM 720 N SER A 139 -3.124 -7.161 1.380 1.00 0.00 N ATOM 721 CA SER A 139 -1.786 -6.716 1.733 1.00 0.00 C ATOM 722 C SER A 139 -1.791 -5.253 2.167 1.00 0.00 C ATOM 723 O SER A 139 -1.082 -4.422 1.599 1.00 0.00 O ATOM 724 CB SER A 139 -0.859 -6.913 0.538 1.00 0.00 C ATOM 725 OG SER A 139 -1.383 -6.289 -0.619 1.00 0.00 O ATOM 0 H SER A 139 -3.278 -7.254 0.376 1.00 0.00 H new ATOM 0 HA SER A 139 -1.428 -7.309 2.574 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.124 -6.501 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.723 -7.978 0.351 1.00 0.00 H new ATOM 0 HG SER A 139 -0.749 -5.616 -0.943 1.00 0.00 H new ATOM 731 N SER A 140 -2.606 -4.948 3.169 1.00 0.00 N ATOM 732 CA SER A 140 -2.731 -3.598 3.687 1.00 0.00 C ATOM 733 C SER A 140 -1.385 -3.041 4.151 1.00 0.00 C ATOM 734 O SER A 140 -1.098 -1.861 3.959 1.00 0.00 O ATOM 735 CB SER A 140 -3.728 -3.593 4.842 1.00 0.00 C ATOM 736 OG SER A 140 -3.266 -4.391 5.919 1.00 0.00 O ATOM 0 H SER A 140 -3.197 -5.631 3.643 1.00 0.00 H new ATOM 0 HA SER A 140 -3.089 -2.955 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.887 -2.571 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.692 -3.966 4.496 1.00 0.00 H new ATOM 0 HG SER A 140 -3.922 -4.370 6.647 1.00 0.00 H new ATOM 742 N ARG A 141 -0.571 -3.888 4.773 1.00 0.00 N ATOM 743 CA ARG A 141 0.733 -3.461 5.273 1.00 0.00 C ATOM 744 C ARG A 141 1.856 -3.852 4.314 1.00 0.00 C ATOM 745 O ARG A 141 1.907 -4.983 3.835 1.00 0.00 O ATOM 746 CB ARG A 141 0.992 -4.071 6.653 1.00 0.00 C ATOM 747 CG ARG A 141 2.279 -3.592 7.304 1.00 0.00 C ATOM 748 CD ARG A 141 2.244 -2.096 7.577 1.00 0.00 C ATOM 749 NE ARG A 141 3.464 -1.631 8.228 1.00 0.00 N ATOM 750 CZ ARG A 141 3.666 -0.370 8.600 1.00 0.00 C ATOM 751 NH1 ARG A 141 2.732 0.548 8.385 1.00 0.00 N ATOM 752 NH2 ARG A 141 4.802 -0.026 9.190 1.00 0.00 N ATOM 0 H ARG A 141 -0.789 -4.870 4.943 1.00 0.00 H new ATOM 0 HA ARG A 141 0.720 -2.374 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.154 -3.833 7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.025 -5.156 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 141 2.437 -4.130 8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 141 3.124 -3.825 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.107 -1.559 6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 141 1.385 -1.862 8.206 1.00 0.00 H new ATOM 0 HE ARG A 141 4.203 -2.311 8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.855 0.288 7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.891 1.514 8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 141 5.522 -0.728 9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 141 4.956 0.941 9.475 1.00 0.00 H new ATOM 766 N SER A 142 2.755 -2.907 4.046 1.00 0.00 N ATOM 767 CA SER A 142 3.887 -3.142 3.149 1.00 0.00 C ATOM 768 C SER A 142 5.074 -2.275 3.558 1.00 0.00 C ATOM 769 O SER A 142 4.892 -1.178 4.086 1.00 0.00 O ATOM 770 CB SER A 142 3.494 -2.840 1.702 1.00 0.00 C ATOM 771 OG SER A 142 4.577 -3.072 0.819 1.00 0.00 O ATOM 0 H SER A 142 2.722 -1.966 4.439 1.00 0.00 H new ATOM 0 HA SER A 142 4.173 -4.191 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.647 -3.463 1.415 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.169 -1.803 1.619 1.00 0.00 H new ATOM 0 HG SER A 142 5.147 -3.782 1.180 1.00 0.00 H new ATOM 777 N VAL A 143 6.289 -2.769 3.328 1.00 0.00 N ATOM 778 CA VAL A 143 7.487 -2.023 3.698 1.00 0.00 C ATOM 779 C VAL A 143 8.635 -2.259 2.718 1.00 0.00 C ATOM 780 O VAL A 143 8.973 -3.399 2.395 1.00 0.00 O ATOM 781 CB VAL A 143 7.951 -2.397 5.120 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.210 -3.892 5.226 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.190 -1.605 5.510 1.00 0.00 C ATOM 0 H VAL A 143 6.468 -3.673 2.892 1.00 0.00 H new ATOM 0 HA VAL A 143 7.218 -0.967 3.666 1.00 0.00 H new ATOM 0 HB VAL A 143 7.153 -2.140 5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.536 -4.134 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.293 -4.437 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.986 -4.178 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.499 -1.885 6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.996 -1.822 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 143 8.964 -0.539 5.484 1.00 0.00 H new ATOM 793 N CYS A 144 9.233 -1.163 2.258 1.00 0.00 N ATOM 794 CA CYS A 144 10.355 -1.220 1.326 1.00 0.00 C ATOM 795 C CYS A 144 11.683 -1.214 2.073 1.00 0.00 C ATOM 796 O CYS A 144 11.838 -0.503 3.065 1.00 0.00 O ATOM 797 CB CYS A 144 10.299 -0.036 0.357 1.00 0.00 C ATOM 798 SG CYS A 144 11.800 0.171 -0.656 1.00 0.00 S ATOM 0 H CYS A 144 8.956 -0.217 2.519 1.00 0.00 H new ATOM 0 HA CYS A 144 10.279 -2.149 0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.442 -0.163 -0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.130 0.878 0.927 1.00 0.00 H new ATOM 803 N SER A 145 12.642 -2.000 1.591 1.00 0.00 N ATOM 804 CA SER A 145 13.956 -2.071 2.220 1.00 0.00 C ATOM 805 C SER A 145 14.945 -2.830 1.346 1.00 0.00 C ATOM 806 O SER A 145 15.964 -2.286 0.921 1.00 0.00 O ATOM 807 CB SER A 145 13.852 -2.741 3.591 1.00 0.00 C ATOM 808 OG SER A 145 15.118 -2.819 4.221 1.00 0.00 O ATOM 0 H SER A 145 12.534 -2.595 0.769 1.00 0.00 H new ATOM 0 HA SER A 145 14.322 -1.052 2.345 1.00 0.00 H new ATOM 0 HB2 SER A 145 13.163 -2.179 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.437 -3.742 3.479 1.00 0.00 H new ATOM 0 HG SER A 145 15.022 -3.250 5.096 1.00 0.00 H new ATOM 814 N GLN A 146 14.632 -4.088 1.084 1.00 0.00 N ATOM 815 CA GLN A 146 15.484 -4.938 0.259 1.00 0.00 C ATOM 816 C GLN A 146 15.125 -4.798 -1.218 1.00 0.00 C ATOM 817 O GLN A 146 15.039 -5.791 -1.942 1.00 0.00 O ATOM 818 CB GLN A 146 15.351 -6.398 0.695 1.00 0.00 C ATOM 819 CG GLN A 146 15.767 -6.639 2.137 1.00 0.00 C ATOM 820 CD GLN A 146 15.565 -8.078 2.570 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.140 -9.000 1.993 1.00 0.00 O ATOM 822 NE2 GLN A 146 14.741 -8.276 3.592 1.00 0.00 N ATOM 0 H GLN A 146 13.790 -4.548 1.431 1.00 0.00 H new ATOM 0 HA GLN A 146 16.517 -4.618 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.316 -6.715 0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 146 15.960 -7.022 0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.817 -6.371 2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 146 15.193 -5.983 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 146 14.285 -7.482 4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 146 14.564 -9.223 3.928 1.00 0.00 H new ATOM 831 N GLY A 147 14.912 -3.561 -1.656 1.00 0.00 N ATOM 832 CA GLY A 147 14.557 -3.317 -3.043 1.00 0.00 C ATOM 833 C GLY A 147 13.315 -4.082 -3.451 1.00 0.00 C ATOM 834 O GLY A 147 13.236 -4.615 -4.558 1.00 0.00 O ATOM 0 H GLY A 147 14.979 -2.724 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 147 14.392 -2.250 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 147 15.388 -3.605 -3.687 1.00 0.00 H new ATOM 838 N GLN A 148 12.342 -4.134 -2.545 1.00 0.00 N ATOM 839 CA GLN A 148 11.090 -4.838 -2.792 1.00 0.00 C ATOM 840 C GLN A 148 10.120 -4.619 -1.636 1.00 0.00 C ATOM 841 O GLN A 148 10.534 -4.485 -0.484 1.00 0.00 O ATOM 842 CB GLN A 148 11.345 -6.335 -2.986 1.00 0.00 C ATOM 843 CG GLN A 148 10.081 -7.135 -3.260 1.00 0.00 C ATOM 844 CD GLN A 148 10.358 -8.611 -3.466 1.00 0.00 C ATOM 845 OE1 GLN A 148 10.891 -9.285 -2.584 1.00 0.00 O ATOM 846 NE2 GLN A 148 9.997 -9.122 -4.638 1.00 0.00 N ATOM 0 H GLN A 148 12.399 -3.693 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 148 10.647 -4.438 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 148 12.040 -6.473 -3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.830 -6.731 -2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.390 -7.012 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.587 -6.735 -4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.558 -8.527 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 148 10.159 -10.110 -4.835 1.00 0.00 H new ATOM 855 N TRP A 149 8.832 -4.577 -1.950 1.00 0.00 N ATOM 856 CA TRP A 149 7.807 -4.365 -0.936 1.00 0.00 C ATOM 857 C TRP A 149 7.434 -5.681 -0.260 1.00 0.00 C ATOM 858 O TRP A 149 7.318 -6.715 -0.918 1.00 0.00 O ATOM 859 CB TRP A 149 6.566 -3.722 -1.561 1.00 0.00 C ATOM 860 CG TRP A 149 6.866 -2.462 -2.318 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.509 -2.356 -3.519 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.550 -1.125 -1.914 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.602 -1.037 -3.890 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.024 -0.262 -2.920 1.00 0.00 C ATOM 865 CE3 TRP A 149 5.910 -0.574 -0.801 1.00 0.00 C ATOM 866 CZ2 TRP A 149 6.877 1.120 -2.845 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.767 0.798 -0.728 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.248 1.632 -1.744 1.00 0.00 C ATOM 0 H TRP A 149 8.472 -4.687 -2.898 1.00 0.00 H new ATOM 0 HA TRP A 149 8.210 -3.692 -0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 149 6.095 -4.438 -2.234 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.845 -3.502 -0.774 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.889 -3.188 -4.093 1.00 0.00 H new ATOM 0 HE1 TRP A 149 8.031 -0.691 -4.748 1.00 0.00 H new ATOM 0 HE3 TRP A 149 5.534 -1.209 -0.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.247 1.765 -3.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.275 1.235 0.128 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.120 2.701 -1.657 1.00 0.00 H new ATOM 879 N SER A 150 7.257 -5.635 1.060 1.00 0.00 N ATOM 880 CA SER A 150 6.906 -6.823 1.831 1.00 0.00 C ATOM 881 C SER A 150 5.720 -7.549 1.205 1.00 0.00 C ATOM 882 O SER A 150 5.741 -8.770 1.046 1.00 0.00 O ATOM 883 CB SER A 150 6.582 -6.443 3.277 1.00 0.00 C ATOM 884 OG SER A 150 6.254 -7.588 4.046 1.00 0.00 O ATOM 0 H SER A 150 7.352 -4.786 1.617 1.00 0.00 H new ATOM 0 HA SER A 150 7.764 -7.495 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 150 7.437 -5.935 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.749 -5.740 3.293 1.00 0.00 H new ATOM 0 HG SER A 150 6.053 -7.317 4.966 1.00 0.00 H new ATOM 890 N THR A 151 4.689 -6.792 0.847 1.00 0.00 N ATOM 891 CA THR A 151 3.499 -7.367 0.232 1.00 0.00 C ATOM 892 C THR A 151 3.042 -6.528 -0.958 1.00 0.00 C ATOM 893 O THR A 151 3.064 -5.298 -0.903 1.00 0.00 O ATOM 894 CB THR A 151 2.341 -7.480 1.237 1.00 0.00 C ATOM 895 OG1 THR A 151 1.942 -6.175 1.667 1.00 0.00 O ATOM 896 CG2 THR A 151 2.746 -8.315 2.441 1.00 0.00 C ATOM 0 H THR A 151 4.653 -5.780 0.972 1.00 0.00 H new ATOM 0 HA THR A 151 3.770 -8.367 -0.108 1.00 0.00 H new ATOM 0 HB THR A 151 1.505 -7.973 0.741 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.044 -6.106 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 151 1.910 -8.380 3.137 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.023 -9.317 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.596 -7.848 2.938 1.00 0.00 H new ATOM 904 N PRO A 152 2.627 -7.183 -2.058 1.00 0.00 N ATOM 905 CA PRO A 152 2.172 -6.487 -3.267 1.00 0.00 C ATOM 906 C PRO A 152 0.937 -5.626 -3.019 1.00 0.00 C ATOM 907 O PRO A 152 0.604 -5.309 -1.878 1.00 0.00 O ATOM 908 CB PRO A 152 1.835 -7.625 -4.240 1.00 0.00 C ATOM 909 CG PRO A 152 2.537 -8.824 -3.703 1.00 0.00 C ATOM 910 CD PRO A 152 2.577 -8.646 -2.213 1.00 0.00 C ATOM 0 HA PRO A 152 2.931 -5.799 -3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.759 -7.791 -4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.172 -7.392 -5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 152 2.009 -9.739 -3.973 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.543 -8.904 -4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.698 -9.073 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.449 -9.129 -1.772 1.00 0.00 H new ATOM 918 N LYS A 153 0.260 -5.258 -4.101 1.00 0.00 N ATOM 919 CA LYS A 153 -0.945 -4.440 -4.016 1.00 0.00 C ATOM 920 C LYS A 153 -2.159 -5.298 -3.661 1.00 0.00 C ATOM 921 O LYS A 153 -2.425 -6.306 -4.315 1.00 0.00 O ATOM 922 CB LYS A 153 -1.176 -3.718 -5.344 1.00 0.00 C ATOM 923 CG LYS A 153 -0.138 -2.647 -5.647 1.00 0.00 C ATOM 924 CD LYS A 153 -0.244 -1.464 -4.694 1.00 0.00 C ATOM 925 CE LYS A 153 -1.463 -0.600 -4.988 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.743 -1.332 -4.781 1.00 0.00 N ATOM 0 H LYS A 153 0.527 -5.514 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.809 -3.701 -3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.175 -4.451 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.165 -3.260 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.860 -3.080 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.265 -2.299 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.297 -1.829 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 153 0.658 -0.856 -4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -1.444 0.281 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.413 -0.245 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.269 -1.371 -5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.541 -2.299 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.314 -0.838 -4.066 1.00 0.00 H new ATOM 940 N PRO A 154 -2.910 -4.914 -2.613 1.00 0.00 N ATOM 941 CA PRO A 154 -4.092 -5.659 -2.173 1.00 0.00 C ATOM 942 C PRO A 154 -5.337 -5.340 -2.999 1.00 0.00 C ATOM 943 O PRO A 154 -5.244 -4.969 -4.169 1.00 0.00 O ATOM 944 CB PRO A 154 -4.271 -5.180 -0.735 1.00 0.00 C ATOM 945 CG PRO A 154 -3.771 -3.776 -0.746 1.00 0.00 C ATOM 946 CD PRO A 154 -2.664 -3.727 -1.768 1.00 0.00 C ATOM 0 HA PRO A 154 -3.961 -6.736 -2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.316 -5.227 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.705 -5.798 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.570 -3.081 -1.005 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.404 -3.487 0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.699 -2.807 -2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.682 -3.768 -1.296 1.00 0.00 H new ATOM 954 N HIS A 155 -6.503 -5.479 -2.369 1.00 0.00 N ATOM 955 CA HIS A 155 -7.775 -5.198 -3.023 1.00 0.00 C ATOM 956 C HIS A 155 -8.818 -4.807 -1.984 1.00 0.00 C ATOM 957 O HIS A 155 -8.903 -5.420 -0.919 1.00 0.00 O ATOM 958 CB HIS A 155 -8.253 -6.410 -3.827 1.00 0.00 C ATOM 959 CG HIS A 155 -8.474 -7.638 -3.001 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.469 -8.257 -2.286 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.593 -8.368 -2.781 1.00 0.00 C ATOM 962 CE1 HIS A 155 -7.961 -9.314 -1.664 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.246 -9.402 -1.947 1.00 0.00 N ATOM 0 H HIS A 155 -6.590 -5.787 -1.400 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.633 -4.367 -3.714 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.183 -6.153 -4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.519 -6.632 -4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.575 -8.173 -3.186 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.405 -9.991 -1.032 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.880 -10.122 -1.602 1.00 0.00 H new ATOM 972 N CYS A 156 -9.597 -3.773 -2.283 1.00 0.00 N ATOM 973 CA CYS A 156 -10.613 -3.299 -1.353 1.00 0.00 C ATOM 974 C CYS A 156 -11.996 -3.833 -1.710 1.00 0.00 C ATOM 975 O CYS A 156 -12.391 -3.840 -2.876 1.00 0.00 O ATOM 976 CB CYS A 156 -10.645 -1.773 -1.335 1.00 0.00 C ATOM 977 SG CYS A 156 -11.469 -1.075 0.127 1.00 0.00 S ATOM 0 H CYS A 156 -9.544 -3.250 -3.157 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.348 -3.672 -0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -9.623 -1.397 -1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.154 -1.419 -2.231 1.00 0.00 H new ATOM 982 N GLN A 157 -12.730 -4.262 -0.689 1.00 0.00 N ATOM 983 CA GLN A 157 -14.079 -4.782 -0.875 1.00 0.00 C ATOM 984 C GLN A 157 -15.105 -3.734 -0.456 1.00 0.00 C ATOM 985 O GLN A 157 -14.899 -3.009 0.517 1.00 0.00 O ATOM 986 CB GLN A 157 -14.276 -6.063 -0.062 1.00 0.00 C ATOM 987 CG GLN A 157 -15.651 -6.689 -0.233 1.00 0.00 C ATOM 988 CD GLN A 157 -15.825 -7.947 0.595 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.079 -8.914 0.440 1.00 0.00 O ATOM 990 NE2 GLN A 157 -16.817 -7.943 1.478 1.00 0.00 N ATOM 0 H GLN A 157 -12.411 -4.260 0.280 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.219 -5.015 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.517 -6.789 -0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.116 -5.842 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.414 -5.964 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.810 -6.926 -1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.411 -7.120 1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.984 -8.763 2.061 1.00 0.00 H new ATOM 999 N VAL A 158 -16.209 -3.657 -1.191 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.257 -2.695 -0.884 1.00 0.00 C ATOM 1001 C VAL A 158 -17.824 -2.956 0.503 1.00 0.00 C ATOM 1002 O VAL A 158 -18.486 -3.969 0.733 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.394 -2.748 -1.922 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -19.522 -1.802 -1.537 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -17.863 -2.418 -3.309 1.00 0.00 C ATOM 0 H VAL A 158 -16.400 -4.248 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.809 -1.702 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.795 -3.761 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.314 -1.856 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.921 -2.089 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.140 -0.782 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -18.679 -2.460 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -17.433 -1.416 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -17.096 -3.141 -3.586 1.00 0.00 H new ATOM 1015 N ASN A 159 -17.553 -2.043 1.424 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.028 -2.182 2.790 1.00 0.00 C ATOM 1017 C ASN A 159 -19.532 -1.943 2.874 1.00 0.00 C ATOM 1018 O ASN A 159 -20.279 -2.931 3.036 1.00 0.00 O ATOM 1019 CB ASN A 159 -17.285 -1.214 3.712 1.00 0.00 C ATOM 1020 CG ASN A 159 -17.796 -1.259 5.138 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.767 -2.304 5.788 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -18.267 -0.119 5.629 1.00 0.00 N ATOM 1023 OXT ASN A 159 -19.950 -0.770 2.780 1.00 0.00 O ATOM 0 H ASN A 159 -17.007 -1.199 1.249 1.00 0.00 H new ATOM 0 HA ASN A 159 -17.828 -3.203 3.116 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -16.222 -1.454 3.703 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -17.386 -0.200 3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.625 -0.084 6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.271 0.722 5.052 1.00 0.00 H new