USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= 1.26 K(o=2.6,f=-2.4) USER MOD Set 1.2: A 93 GLN : amide:sc= 1.36 K(o=2.6,f=-2.4!) USER MOD Single : A 30 SER OG : rot 170:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.74) USER MOD Single : A 32 THR OG1 : rot 153:sc= 0.791 USER MOD Single : A 44 GLN : amide:sc= 0.976 K(o=0.98,f=-0.019) USER MOD Single : A 46 SER OG : rot 85:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0023) USER MOD Single : A 58 MET CE :methyl -171:sc= -1.46 (180deg=-2.06) USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= 2.44 (180deg=2.32) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.491 K(o=0.49,f=-0.25) USER MOD Single : A 77 SER OG : rot -92:sc= 2.03 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 1.99 (180deg=1.95) USER MOD Single : A 86 HIS : no HE2:sc= 0.527 K(o=0.53,f=-3.5!) USER MOD Single : A 88 LYS NZ :NH3+ 167:sc= 0.824 (180deg=0.733) USER MOD Single : A 89 SER OG : rot 42:sc= 0.341 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -140:sc= -0.377 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 6.025 10.263 5.776 1.00 0.00 N ATOM 36 CA SER A 30 5.876 10.081 4.313 1.00 0.00 C ATOM 37 C SER A 30 4.530 10.584 3.758 1.00 0.00 C ATOM 38 O SER A 30 4.411 10.752 2.545 1.00 0.00 O ATOM 39 CB SER A 30 5.992 8.594 3.933 1.00 0.00 C ATOM 40 OG SER A 30 7.345 8.181 3.881 1.00 0.00 O ATOM 0 HA SER A 30 6.678 10.675 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.452 7.987 4.660 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.521 8.426 2.965 1.00 0.00 H new ATOM 0 HG SER A 30 7.386 7.205 3.798 1.00 0.00 H new ATOM 46 N ASN A 31 3.517 10.796 4.610 1.00 0.00 N ATOM 47 CA ASN A 31 2.126 11.207 4.343 1.00 0.00 C ATOM 48 C ASN A 31 1.309 10.495 3.231 1.00 0.00 C ATOM 49 O ASN A 31 0.106 10.737 3.149 1.00 0.00 O ATOM 50 CB ASN A 31 1.974 12.745 4.335 1.00 0.00 C ATOM 51 CG ASN A 31 2.810 13.497 3.310 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.372 13.793 2.211 1.00 0.00 O ATOM 53 ND2 ASN A 31 4.011 13.898 3.663 1.00 0.00 N ATOM 0 H ASN A 31 3.665 10.671 5.611 1.00 0.00 H new ATOM 0 HA ASN A 31 1.614 10.792 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.925 12.985 4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.229 13.120 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.573 14.455 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.381 13.653 4.581 1.00 0.00 H new ATOM 60 N THR A 32 1.882 9.604 2.408 1.00 0.00 N ATOM 61 CA THR A 32 1.204 9.077 1.198 1.00 0.00 C ATOM 62 C THR A 32 1.481 7.598 0.855 1.00 0.00 C ATOM 63 O THR A 32 1.245 7.214 -0.286 1.00 0.00 O ATOM 64 CB THR A 32 1.518 9.943 -0.037 1.00 0.00 C ATOM 65 OG1 THR A 32 2.793 9.666 -0.575 1.00 0.00 O ATOM 66 CG2 THR A 32 1.489 11.452 0.171 1.00 0.00 C ATOM 0 H THR A 32 2.819 9.227 2.554 1.00 0.00 H new ATOM 0 HA THR A 32 0.147 9.129 1.460 1.00 0.00 H new ATOM 0 HB THR A 32 0.702 9.665 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.795 9.869 -1.534 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.725 11.953 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.496 11.754 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.225 11.729 0.926 1.00 0.00 H new ATOM 74 N ARG A 33 1.945 6.730 1.780 1.00 0.00 N ATOM 75 CA ARG A 33 2.511 5.409 1.394 1.00 0.00 C ATOM 76 C ARG A 33 1.911 4.172 2.037 1.00 0.00 C ATOM 77 O ARG A 33 1.877 3.996 3.255 1.00 0.00 O ATOM 78 CB ARG A 33 4.006 5.346 1.677 1.00 0.00 C ATOM 79 CG ARG A 33 4.884 6.053 0.677 1.00 0.00 C ATOM 80 CD ARG A 33 6.359 6.092 1.091 1.00 0.00 C ATOM 81 NE ARG A 33 7.211 6.079 -0.101 1.00 0.00 N ATOM 82 CZ ARG A 33 8.206 5.267 -0.391 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.721 4.435 0.452 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.710 5.273 -1.583 1.00 0.00 N ATOM 0 H ARG A 33 1.942 6.911 2.784 1.00 0.00 H new ATOM 0 HA ARG A 33 2.260 5.371 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.190 5.773 2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.306 4.299 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.797 5.555 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.524 7.073 0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.557 6.987 1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.591 5.236 1.724 1.00 0.00 H new ATOM 0 HE ARG A 33 7.006 6.794 -0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.357 4.382 1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.492 3.831 0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.336 5.904 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.481 4.646 -1.814 1.00 0.00 H new ATOM 98 N LEU A 34 1.582 3.209 1.201 1.00 0.00 N ATOM 99 CA LEU A 34 0.799 2.059 1.594 1.00 0.00 C ATOM 100 C LEU A 34 1.670 0.806 1.603 1.00 0.00 C ATOM 101 O LEU A 34 2.178 0.378 0.571 1.00 0.00 O ATOM 102 CB LEU A 34 -0.453 1.949 0.713 1.00 0.00 C ATOM 103 CG LEU A 34 -1.205 3.253 0.336 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.379 4.264 1.476 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.578 3.924 -0.887 1.00 0.00 C ATOM 0 H LEU A 34 1.855 3.204 0.218 1.00 0.00 H new ATOM 0 HA LEU A 34 0.438 2.177 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.165 1.452 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.160 1.293 1.221 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.214 2.920 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.916 5.138 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.945 3.805 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.400 4.569 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.128 4.834 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.461 4.174 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.619 3.243 -1.737 1.00 0.00 H new ATOM 117 N PHE A 35 1.839 0.244 2.794 1.00 0.00 N ATOM 118 CA PHE A 35 2.773 -0.815 3.140 1.00 0.00 C ATOM 119 C PHE A 35 1.933 -2.086 3.234 1.00 0.00 C ATOM 120 O PHE A 35 1.184 -2.364 4.169 1.00 0.00 O ATOM 121 CB PHE A 35 3.589 -0.346 4.348 1.00 0.00 C ATOM 122 CG PHE A 35 4.384 -1.379 5.124 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.156 -2.342 4.444 1.00 0.00 C ATOM 124 CD2 PHE A 35 4.439 -1.310 6.521 1.00 0.00 C ATOM 125 CE1 PHE A 35 5.979 -3.227 5.161 1.00 0.00 C ATOM 126 CE2 PHE A 35 5.254 -2.201 7.246 1.00 0.00 C ATOM 127 CZ PHE A 35 6.026 -3.158 6.567 1.00 0.00 C ATOM 0 H PHE A 35 1.286 0.539 3.599 1.00 0.00 H new ATOM 0 HA PHE A 35 3.553 -1.054 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.285 0.418 4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.904 0.138 5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.115 -2.400 3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.853 -0.570 7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.574 -3.959 4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.285 -2.148 8.324 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.654 -3.839 7.122 1.00 0.00 H new ATOM 137 N VAL A 36 1.978 -2.800 2.122 1.00 0.00 N ATOM 138 CA VAL A 36 1.018 -3.822 1.721 1.00 0.00 C ATOM 139 C VAL A 36 1.801 -5.094 1.425 1.00 0.00 C ATOM 140 O VAL A 36 2.319 -5.324 0.344 1.00 0.00 O ATOM 141 CB VAL A 36 0.239 -3.149 0.579 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.564 -3.957 -0.394 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.774 -2.160 1.195 1.00 0.00 C ATOM 0 H VAL A 36 2.723 -2.678 1.437 1.00 0.00 H new ATOM 0 HA VAL A 36 0.283 -4.157 2.452 1.00 0.00 H new ATOM 0 HB VAL A 36 1.061 -2.745 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.034 -3.292 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.091 -4.656 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.334 -4.512 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.337 -1.672 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.461 -2.701 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.241 -1.407 1.776 1.00 0.00 H new ATOM 153 N ARG A 37 1.919 -5.906 2.479 1.00 0.00 N ATOM 154 CA ARG A 37 2.841 -7.046 2.607 1.00 0.00 C ATOM 155 C ARG A 37 2.304 -8.439 3.025 1.00 0.00 C ATOM 156 O ARG A 37 3.123 -9.357 3.070 1.00 0.00 O ATOM 157 CB ARG A 37 3.998 -6.552 3.505 1.00 0.00 C ATOM 158 CG ARG A 37 3.613 -6.036 4.903 1.00 0.00 C ATOM 159 CD ARG A 37 3.434 -7.167 5.918 1.00 0.00 C ATOM 160 NE ARG A 37 2.462 -6.823 6.979 1.00 0.00 N ATOM 161 CZ ARG A 37 2.394 -5.737 7.725 1.00 0.00 C ATOM 162 NH1 ARG A 37 3.341 -4.854 7.800 1.00 0.00 N ATOM 163 NH2 ARG A 37 1.343 -5.477 8.442 1.00 0.00 N ATOM 0 H ARG A 37 1.345 -5.782 3.313 1.00 0.00 H new ATOM 0 HA ARG A 37 3.139 -7.306 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.708 -7.370 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.520 -5.753 2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.383 -5.352 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.687 -5.465 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.100 -8.066 5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.397 -7.400 6.373 1.00 0.00 H new ATOM 0 HE ARG A 37 1.743 -7.524 7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.199 -4.979 7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.228 -4.034 8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.550 -6.118 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.311 -4.632 9.012 1.00 0.00 H new ATOM 177 N PRO A 38 1.010 -8.674 3.346 1.00 0.00 N ATOM 178 CA PRO A 38 0.506 -10.017 3.685 1.00 0.00 C ATOM 179 C PRO A 38 0.638 -11.119 2.627 1.00 0.00 C ATOM 180 O PRO A 38 0.522 -12.306 2.939 1.00 0.00 O ATOM 181 CB PRO A 38 -0.988 -9.825 3.905 1.00 0.00 C ATOM 182 CG PRO A 38 -1.143 -8.390 4.348 1.00 0.00 C ATOM 183 CD PRO A 38 -0.055 -7.695 3.543 1.00 0.00 C ATOM 0 HA PRO A 38 1.106 -10.363 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.548 -10.017 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.366 -10.513 4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.134 -7.997 4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.993 -8.275 5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.444 -7.348 2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.318 -6.818 4.072 1.00 0.00 H new ATOM 191 N PHE A 39 0.766 -10.732 1.362 1.00 0.00 N ATOM 192 CA PHE A 39 0.660 -11.621 0.211 1.00 0.00 C ATOM 193 C PHE A 39 1.931 -12.430 -0.033 1.00 0.00 C ATOM 194 O PHE A 39 3.011 -12.069 0.439 1.00 0.00 O ATOM 195 CB PHE A 39 0.415 -10.799 -1.064 1.00 0.00 C ATOM 196 CG PHE A 39 -0.399 -9.546 -0.877 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.220 -8.388 -0.383 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.770 -9.548 -1.175 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.559 -7.253 -0.128 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.519 -8.371 -1.020 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.918 -7.226 -0.477 1.00 0.00 C ATOM 0 H PHE A 39 0.952 -9.763 1.102 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.164 -12.300 0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.380 -10.525 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.088 -11.433 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.285 -8.372 -0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.248 -10.452 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.110 -6.390 0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.557 -8.347 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.498 -6.328 -0.328 1.00 0.00 H new ATOM 211 N PRO A 40 1.828 -13.493 -0.846 1.00 0.00 N ATOM 212 CA PRO A 40 3.001 -14.128 -1.411 1.00 0.00 C ATOM 213 C PRO A 40 3.467 -13.393 -2.683 1.00 0.00 C ATOM 214 O PRO A 40 2.873 -12.393 -3.100 1.00 0.00 O ATOM 215 CB PRO A 40 2.562 -15.573 -1.674 1.00 0.00 C ATOM 216 CG PRO A 40 1.084 -15.411 -2.039 1.00 0.00 C ATOM 217 CD PRO A 40 0.625 -14.258 -1.145 1.00 0.00 C ATOM 0 HA PRO A 40 3.867 -14.098 -0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.132 -16.029 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.696 -16.204 -0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.954 -15.177 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.519 -16.322 -1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.117 -13.640 -1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.160 -14.631 -0.232 1.00 0.00 H new ATOM 225 N LEU A 41 4.539 -13.890 -3.316 1.00 0.00 N ATOM 226 CA LEU A 41 5.146 -13.344 -4.542 1.00 0.00 C ATOM 227 C LEU A 41 4.140 -13.122 -5.695 1.00 0.00 C ATOM 228 O LEU A 41 4.397 -12.338 -6.606 1.00 0.00 O ATOM 229 CB LEU A 41 6.285 -14.281 -5.001 1.00 0.00 C ATOM 230 CG LEU A 41 7.643 -14.073 -4.307 1.00 0.00 C ATOM 231 CD1 LEU A 41 7.614 -14.295 -2.790 1.00 0.00 C ATOM 232 CD2 LEU A 41 8.678 -15.028 -4.900 1.00 0.00 C ATOM 0 H LEU A 41 5.028 -14.718 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 41 5.532 -12.356 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.970 -15.312 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.424 -14.155 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 41 7.901 -13.028 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.610 -14.129 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.912 -13.597 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.300 -15.317 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.638 -14.877 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.351 -16.057 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.785 -14.832 -5.967 1.00 0.00 H new ATOM 244 N ASP A 42 2.996 -13.802 -5.643 1.00 0.00 N ATOM 245 CA ASP A 42 1.873 -13.704 -6.570 1.00 0.00 C ATOM 246 C ASP A 42 1.202 -12.313 -6.646 1.00 0.00 C ATOM 247 O ASP A 42 0.570 -12.043 -7.666 1.00 0.00 O ATOM 248 CB ASP A 42 0.818 -14.758 -6.196 1.00 0.00 C ATOM 249 CG ASP A 42 1.386 -16.186 -6.072 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.106 -16.473 -5.082 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.098 -17.033 -6.952 1.00 0.00 O ATOM 0 H ASP A 42 2.819 -14.481 -4.903 1.00 0.00 H new ATOM 0 HA ASP A 42 2.292 -13.880 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.356 -14.477 -5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.030 -14.754 -6.949 1.00 0.00 H new ATOM 256 N VAL A 43 1.304 -11.431 -5.636 1.00 0.00 N ATOM 257 CA VAL A 43 0.745 -10.057 -5.728 1.00 0.00 C ATOM 258 C VAL A 43 1.529 -9.196 -6.718 1.00 0.00 C ATOM 259 O VAL A 43 2.756 -9.297 -6.827 1.00 0.00 O ATOM 260 CB VAL A 43 0.634 -9.337 -4.365 1.00 0.00 C ATOM 261 CG1 VAL A 43 1.995 -8.913 -3.811 1.00 0.00 C ATOM 262 CG2 VAL A 43 -0.283 -8.099 -4.444 1.00 0.00 C ATOM 0 H VAL A 43 1.764 -11.637 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.272 -10.187 -6.097 1.00 0.00 H new ATOM 0 HB VAL A 43 0.197 -10.068 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.858 -8.412 -2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.622 -9.794 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.476 -8.230 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.334 -7.621 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.119 -7.394 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.283 -8.406 -4.751 1.00 0.00 H new ATOM 272 N GLN A 44 0.826 -8.316 -7.432 1.00 0.00 N ATOM 273 CA GLN A 44 1.370 -7.509 -8.521 1.00 0.00 C ATOM 274 C GLN A 44 0.618 -6.184 -8.621 1.00 0.00 C ATOM 275 O GLN A 44 -0.442 -5.993 -8.024 1.00 0.00 O ATOM 276 CB GLN A 44 1.210 -8.247 -9.874 1.00 0.00 C ATOM 277 CG GLN A 44 1.953 -9.584 -10.030 1.00 0.00 C ATOM 278 CD GLN A 44 1.240 -10.521 -10.997 1.00 0.00 C ATOM 279 OE1 GLN A 44 1.659 -10.750 -12.132 1.00 0.00 O ATOM 280 NE2 GLN A 44 0.144 -11.103 -10.574 1.00 0.00 N ATOM 0 H GLN A 44 -0.165 -8.141 -7.263 1.00 0.00 H new ATOM 0 HA GLN A 44 2.425 -7.334 -8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.148 -8.428 -10.038 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.545 -7.578 -10.667 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.966 -9.397 -10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.041 -10.066 -9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.204 -10.914 -9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.361 -11.745 -11.185 1.00 0.00 H new ATOM 289 N GLU A 45 1.130 -5.297 -9.475 1.00 0.00 N ATOM 290 CA GLU A 45 0.460 -4.066 -9.896 1.00 0.00 C ATOM 291 C GLU A 45 -1.004 -4.302 -10.303 1.00 0.00 C ATOM 292 O GLU A 45 -1.847 -3.472 -9.997 1.00 0.00 O ATOM 293 CB GLU A 45 1.284 -3.476 -11.050 1.00 0.00 C ATOM 294 CG GLU A 45 0.718 -2.211 -11.702 1.00 0.00 C ATOM 295 CD GLU A 45 0.754 -0.997 -10.765 1.00 0.00 C ATOM 296 OE1 GLU A 45 -0.052 -0.957 -9.809 1.00 0.00 O ATOM 297 OE2 GLU A 45 1.570 -0.077 -11.017 1.00 0.00 O ATOM 0 H GLU A 45 2.047 -5.418 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 45 0.412 -3.366 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.284 -3.253 -10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.393 -4.240 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.287 -1.986 -12.604 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.311 -2.396 -12.012 1.00 0.00 H new ATOM 304 N SER A 46 -1.356 -5.435 -10.914 1.00 0.00 N ATOM 305 CA SER A 46 -2.746 -5.771 -11.268 1.00 0.00 C ATOM 306 C SER A 46 -3.677 -6.009 -10.060 1.00 0.00 C ATOM 307 O SER A 46 -4.857 -5.650 -10.098 1.00 0.00 O ATOM 308 CB SER A 46 -2.761 -6.998 -12.189 1.00 0.00 C ATOM 309 OG SER A 46 -1.846 -8.000 -11.784 1.00 0.00 O ATOM 0 H SER A 46 -0.683 -6.154 -11.181 1.00 0.00 H new ATOM 0 HA SER A 46 -3.145 -4.894 -11.778 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.767 -7.418 -12.210 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.524 -6.686 -13.206 1.00 0.00 H new ATOM 0 HG SER A 46 -2.266 -8.573 -11.109 1.00 0.00 H new ATOM 315 N GLU A 47 -3.173 -6.548 -8.941 1.00 0.00 N ATOM 316 CA GLU A 47 -3.944 -6.857 -7.741 1.00 0.00 C ATOM 317 C GLU A 47 -4.059 -5.607 -6.878 1.00 0.00 C ATOM 318 O GLU A 47 -5.101 -5.292 -6.301 1.00 0.00 O ATOM 319 CB GLU A 47 -3.163 -7.936 -7.000 1.00 0.00 C ATOM 320 CG GLU A 47 -3.426 -9.329 -7.568 1.00 0.00 C ATOM 321 CD GLU A 47 -2.566 -9.608 -8.797 1.00 0.00 C ATOM 322 OE1 GLU A 47 -1.374 -9.914 -8.604 1.00 0.00 O ATOM 323 OE2 GLU A 47 -3.060 -9.523 -9.949 1.00 0.00 O ATOM 0 H GLU A 47 -2.186 -6.786 -8.849 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.952 -7.196 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.097 -7.716 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.434 -7.918 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.222 -10.078 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.479 -9.422 -7.832 1.00 0.00 H new ATOM 330 N LEU A 48 -2.976 -4.837 -6.863 1.00 0.00 N ATOM 331 CA LEU A 48 -2.962 -3.501 -6.328 1.00 0.00 C ATOM 332 C LEU A 48 -3.911 -2.624 -7.156 1.00 0.00 C ATOM 333 O LEU A 48 -4.661 -1.850 -6.591 1.00 0.00 O ATOM 334 CB LEU A 48 -1.515 -3.020 -6.365 1.00 0.00 C ATOM 335 CG LEU A 48 -0.556 -3.890 -5.542 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.874 -3.694 -5.973 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.587 -3.492 -4.094 1.00 0.00 C ATOM 0 H LEU A 48 -2.074 -5.139 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.315 -3.455 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.175 -2.999 -7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.472 -1.996 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.881 -4.919 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.526 -4.325 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.978 -3.965 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.155 -2.649 -5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.100 -4.122 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.287 -2.449 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.597 -3.616 -3.704 1.00 0.00 H new ATOM 349 N ASN A 49 -3.990 -2.795 -8.470 1.00 0.00 N ATOM 350 CA ASN A 49 -4.995 -2.088 -9.296 1.00 0.00 C ATOM 351 C ASN A 49 -6.434 -2.462 -8.904 1.00 0.00 C ATOM 352 O ASN A 49 -7.280 -1.577 -8.777 1.00 0.00 O ATOM 353 CB ASN A 49 -4.777 -2.302 -10.804 1.00 0.00 C ATOM 354 CG ASN A 49 -3.992 -1.173 -11.443 1.00 0.00 C ATOM 355 OD1 ASN A 49 -4.525 -0.337 -12.158 1.00 0.00 O ATOM 356 ND2 ASN A 49 -2.708 -1.113 -11.216 1.00 0.00 N ATOM 0 H ASN A 49 -3.376 -3.415 -8.998 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.853 -1.027 -9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.249 -3.242 -10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.744 -2.393 -11.298 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.150 -0.369 -11.635 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.262 -1.810 -10.619 1.00 0.00 H new ATOM 363 N GLU A 50 -6.715 -3.743 -8.651 1.00 0.00 N ATOM 364 CA GLU A 50 -8.018 -4.184 -8.123 1.00 0.00 C ATOM 365 C GLU A 50 -8.382 -3.528 -6.773 1.00 0.00 C ATOM 366 O GLU A 50 -9.533 -3.137 -6.568 1.00 0.00 O ATOM 367 CB GLU A 50 -8.020 -5.708 -7.955 1.00 0.00 C ATOM 368 CG GLU A 50 -8.297 -6.450 -9.266 1.00 0.00 C ATOM 369 CD GLU A 50 -8.314 -7.978 -9.058 1.00 0.00 C ATOM 370 OE1 GLU A 50 -7.311 -8.551 -8.565 1.00 0.00 O ATOM 371 OE2 GLU A 50 -9.336 -8.627 -9.393 1.00 0.00 O ATOM 0 H GLU A 50 -6.053 -4.503 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.769 -3.871 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.055 -6.026 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.774 -5.987 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.255 -6.126 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.535 -6.190 -10.000 1.00 0.00 H new ATOM 378 N ILE A 51 -7.411 -3.404 -5.867 1.00 0.00 N ATOM 379 CA ILE A 51 -7.622 -2.939 -4.481 1.00 0.00 C ATOM 380 C ILE A 51 -7.567 -1.404 -4.349 1.00 0.00 C ATOM 381 O ILE A 51 -8.350 -0.832 -3.595 1.00 0.00 O ATOM 382 CB ILE A 51 -6.555 -3.606 -3.596 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.793 -5.130 -3.468 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.468 -2.956 -2.199 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.571 -5.891 -2.926 1.00 0.00 C ATOM 0 H ILE A 51 -6.437 -3.626 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.625 -3.223 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.599 -3.449 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.643 -5.304 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.060 -5.533 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.702 -3.460 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.211 -1.902 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.430 -3.046 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.804 -6.954 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.725 -5.746 -3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.317 -5.514 -1.935 1.00 0.00 H new ATOM 397 N PHE A 52 -6.654 -0.743 -5.071 1.00 0.00 N ATOM 398 CA PHE A 52 -6.317 0.683 -4.964 1.00 0.00 C ATOM 399 C PHE A 52 -6.954 1.544 -6.058 1.00 0.00 C ATOM 400 O PHE A 52 -7.145 2.748 -5.878 1.00 0.00 O ATOM 401 CB PHE A 52 -4.817 0.898 -5.029 1.00 0.00 C ATOM 402 CG PHE A 52 -4.017 0.383 -3.861 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.841 -0.996 -3.663 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.373 1.295 -3.013 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.941 -1.467 -2.708 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.427 0.822 -2.102 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.162 -0.548 -1.997 1.00 0.00 C ATOM 0 H PHE A 52 -6.099 -1.215 -5.785 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.717 0.993 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.442 0.423 -5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.629 1.967 -5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.408 -1.698 -4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.605 2.348 -3.064 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.847 -2.526 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.895 1.520 -1.472 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.356 -0.896 -1.367 1.00 0.00 H new ATOM 417 N GLY A 53 -7.322 0.933 -7.192 1.00 0.00 N ATOM 418 CA GLY A 53 -8.125 1.552 -8.242 1.00 0.00 C ATOM 419 C GLY A 53 -9.381 2.303 -7.764 1.00 0.00 C ATOM 420 O GLY A 53 -9.661 3.368 -8.317 1.00 0.00 O ATOM 0 H GLY A 53 -7.060 -0.030 -7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.494 2.250 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.432 0.777 -8.944 1.00 0.00 H new ATOM 424 N PRO A 54 -10.121 1.846 -6.724 1.00 0.00 N ATOM 425 CA PRO A 54 -11.233 2.610 -6.143 1.00 0.00 C ATOM 426 C PRO A 54 -10.827 3.971 -5.541 1.00 0.00 C ATOM 427 O PRO A 54 -11.663 4.874 -5.454 1.00 0.00 O ATOM 428 CB PRO A 54 -11.841 1.712 -5.055 1.00 0.00 C ATOM 429 CG PRO A 54 -11.363 0.307 -5.416 1.00 0.00 C ATOM 430 CD PRO A 54 -9.978 0.600 -5.976 1.00 0.00 C ATOM 0 HA PRO A 54 -11.937 2.861 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.501 2.005 -4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.929 1.773 -5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.325 -0.350 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.011 -0.172 -6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.244 0.703 -5.177 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.635 -0.209 -6.621 1.00 0.00 H new ATOM 438 N PHE A 55 -9.565 4.136 -5.121 1.00 0.00 N ATOM 439 CA PHE A 55 -9.069 5.358 -4.476 1.00 0.00 C ATOM 440 C PHE A 55 -8.730 6.429 -5.504 1.00 0.00 C ATOM 441 O PHE A 55 -9.015 7.615 -5.309 1.00 0.00 O ATOM 442 CB PHE A 55 -7.774 5.088 -3.681 1.00 0.00 C ATOM 443 CG PHE A 55 -7.706 3.840 -2.840 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.881 3.209 -2.398 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.452 3.256 -2.580 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.815 1.970 -1.756 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.387 2.081 -1.797 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.571 1.421 -1.431 1.00 0.00 C ATOM 0 H PHE A 55 -8.851 3.414 -5.221 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.868 5.693 -3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.947 5.058 -4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.601 5.942 -3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.838 3.683 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.550 3.700 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.722 1.438 -1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.430 1.692 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.520 0.484 -0.896 1.00 0.00 H new ATOM 458 N GLY A 56 -8.095 5.978 -6.584 1.00 0.00 N ATOM 459 CA GLY A 56 -7.764 6.760 -7.749 1.00 0.00 C ATOM 460 C GLY A 56 -6.260 7.036 -7.893 1.00 0.00 C ATOM 461 O GLY A 56 -5.612 6.327 -8.672 1.00 0.00 O ATOM 0 H GLY A 56 -7.787 5.009 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.117 6.239 -8.639 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.297 7.710 -7.703 1.00 0.00 H new ATOM 465 N PRO A 57 -5.678 8.025 -7.182 1.00 0.00 N ATOM 466 CA PRO A 57 -4.274 8.451 -7.317 1.00 0.00 C ATOM 467 C PRO A 57 -3.162 7.477 -6.865 1.00 0.00 C ATOM 468 O PRO A 57 -2.201 7.936 -6.256 1.00 0.00 O ATOM 469 CB PRO A 57 -4.175 9.806 -6.594 1.00 0.00 C ATOM 470 CG PRO A 57 -5.597 10.334 -6.680 1.00 0.00 C ATOM 471 CD PRO A 57 -6.389 9.056 -6.431 1.00 0.00 C ATOM 0 HA PRO A 57 -4.062 8.500 -8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.847 9.691 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.465 10.474 -7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.800 11.099 -5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.817 10.774 -7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.428 8.815 -5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.419 9.156 -6.774 1.00 0.00 H new ATOM 479 N MET A 58 -3.250 6.166 -7.150 1.00 0.00 N ATOM 480 CA MET A 58 -2.179 5.144 -7.012 1.00 0.00 C ATOM 481 C MET A 58 -0.964 5.419 -7.916 1.00 0.00 C ATOM 482 O MET A 58 -0.661 4.732 -8.890 1.00 0.00 O ATOM 483 CB MET A 58 -2.718 3.727 -7.143 1.00 0.00 C ATOM 484 CG MET A 58 -3.500 3.451 -8.425 1.00 0.00 C ATOM 485 SD MET A 58 -4.178 1.774 -8.577 1.00 0.00 S ATOM 486 CE MET A 58 -2.785 0.806 -7.937 1.00 0.00 C ATOM 0 H MET A 58 -4.117 5.761 -7.503 1.00 0.00 H new ATOM 0 HA MET A 58 -1.800 5.231 -5.994 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.882 3.030 -7.088 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.363 3.519 -6.290 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.322 4.164 -8.490 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.847 3.639 -9.277 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.970 -0.255 -8.108 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.870 1.102 -8.450 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.676 0.988 -6.868 1.00 0.00 H new ATOM 496 N LYS A 59 -0.295 6.506 -7.564 1.00 0.00 N ATOM 497 CA LYS A 59 0.729 7.224 -8.281 1.00 0.00 C ATOM 498 C LYS A 59 2.053 6.483 -8.435 1.00 0.00 C ATOM 499 O LYS A 59 2.692 6.613 -9.473 1.00 0.00 O ATOM 500 CB LYS A 59 0.855 8.503 -7.458 1.00 0.00 C ATOM 501 CG LYS A 59 1.631 9.662 -8.025 1.00 0.00 C ATOM 502 CD LYS A 59 3.099 9.724 -7.631 1.00 0.00 C ATOM 503 CE LYS A 59 3.475 9.554 -6.160 1.00 0.00 C ATOM 504 NZ LYS A 59 4.940 9.728 -6.004 1.00 0.00 N ATOM 0 H LYS A 59 -0.484 6.950 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 59 0.461 7.387 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.153 8.856 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.311 8.237 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.566 9.623 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.149 10.588 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.625 8.955 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.489 10.687 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.944 10.285 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.175 8.567 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.243 9.323 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.432 9.242 -6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.174 10.741 -6.027 1.00 0.00 H new ATOM 518 N GLU A 60 2.450 5.697 -7.436 1.00 0.00 N ATOM 519 CA GLU A 60 3.652 4.859 -7.483 1.00 0.00 C ATOM 520 C GLU A 60 3.489 3.574 -6.697 1.00 0.00 C ATOM 521 O GLU A 60 2.668 3.475 -5.796 1.00 0.00 O ATOM 522 CB GLU A 60 4.909 5.656 -7.078 1.00 0.00 C ATOM 523 CG GLU A 60 5.801 5.952 -8.289 1.00 0.00 C ATOM 524 CD GLU A 60 6.850 7.030 -7.969 1.00 0.00 C ATOM 525 OE1 GLU A 60 6.460 8.204 -7.760 1.00 0.00 O ATOM 526 OE2 GLU A 60 8.066 6.718 -7.945 1.00 0.00 O ATOM 0 H GLU A 60 1.939 5.622 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 60 3.795 4.553 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.611 6.593 -6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.475 5.092 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.303 5.037 -8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.184 6.281 -9.125 1.00 0.00 H new ATOM 533 N VAL A 61 4.239 2.562 -7.133 1.00 0.00 N ATOM 534 CA VAL A 61 4.004 1.168 -6.770 1.00 0.00 C ATOM 535 C VAL A 61 5.300 0.370 -6.826 1.00 0.00 C ATOM 536 O VAL A 61 5.656 -0.197 -7.861 1.00 0.00 O ATOM 537 CB VAL A 61 2.926 0.566 -7.722 1.00 0.00 C ATOM 538 CG1 VAL A 61 2.315 -0.692 -7.118 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.757 1.500 -8.093 1.00 0.00 C ATOM 0 H VAL A 61 5.036 2.691 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 61 3.637 1.116 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 61 3.485 0.368 -8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.565 -1.095 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.096 -1.435 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.845 -0.447 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.070 0.977 -8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.229 1.799 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.145 2.386 -8.596 1.00 0.00 H new ATOM 549 N LYS A 62 6.047 0.342 -5.713 1.00 0.00 N ATOM 550 CA LYS A 62 7.136 -0.628 -5.596 1.00 0.00 C ATOM 551 C LYS A 62 6.480 -2.002 -5.462 1.00 0.00 C ATOM 552 O LYS A 62 5.498 -2.146 -4.743 1.00 0.00 O ATOM 553 CB LYS A 62 8.040 -0.375 -4.383 1.00 0.00 C ATOM 554 CG LYS A 62 8.527 1.070 -4.190 1.00 0.00 C ATOM 555 CD LYS A 62 9.755 1.187 -3.263 1.00 0.00 C ATOM 556 CE LYS A 62 9.843 0.097 -2.180 1.00 0.00 C ATOM 557 NZ LYS A 62 10.830 0.428 -1.126 1.00 0.00 N ATOM 0 H LYS A 62 5.922 0.958 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 62 7.778 -0.550 -6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.501 -0.678 -3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.913 -1.023 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.774 1.495 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.713 1.667 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.659 1.151 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.737 2.163 -2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.862 -0.040 -1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.115 -0.851 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.853 -0.335 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.772 0.533 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.558 1.319 -0.664 1.00 0.00 H new ATOM 571 N ILE A 63 7.067 -2.997 -6.113 1.00 0.00 N ATOM 572 CA ILE A 63 6.669 -4.410 -6.053 1.00 0.00 C ATOM 573 C ILE A 63 7.898 -5.278 -5.778 1.00 0.00 C ATOM 574 O ILE A 63 8.927 -5.176 -6.450 1.00 0.00 O ATOM 575 CB ILE A 63 6.021 -4.894 -7.379 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.938 -3.987 -7.998 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.496 -6.336 -7.229 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.593 -3.964 -7.273 1.00 0.00 C ATOM 0 H ILE A 63 7.868 -2.842 -6.725 1.00 0.00 H new ATOM 0 HA ILE A 63 5.934 -4.502 -5.254 1.00 0.00 H new ATOM 0 HB ILE A 63 6.839 -4.848 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.324 -2.969 -8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.769 -4.306 -9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.045 -6.659 -8.168 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.323 -7.000 -6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.748 -6.370 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.910 -3.294 -7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.172 -4.969 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.736 -3.612 -6.251 1.00 0.00 H new ATOM 590 N LEU A 64 7.769 -6.114 -4.760 1.00 0.00 N ATOM 591 CA LEU A 64 8.814 -6.930 -4.150 1.00 0.00 C ATOM 592 C LEU A 64 8.257 -8.320 -3.805 1.00 0.00 C ATOM 593 O LEU A 64 7.046 -8.545 -3.811 1.00 0.00 O ATOM 594 CB LEU A 64 9.287 -6.291 -2.844 1.00 0.00 C ATOM 595 CG LEU A 64 9.716 -4.816 -2.783 1.00 0.00 C ATOM 596 CD1 LEU A 64 11.011 -4.574 -3.529 1.00 0.00 C ATOM 597 CD2 LEU A 64 8.737 -3.717 -3.168 1.00 0.00 C ATOM 0 H LEU A 64 6.867 -6.252 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 64 9.639 -7.008 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.483 -6.418 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.131 -6.882 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 64 9.808 -4.710 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.278 -3.519 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.804 -5.178 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.885 -4.850 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.220 -2.746 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.424 -3.855 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.865 -3.762 -2.516 1.00 0.00 H new ATOM 609 N ASN A 65 9.146 -9.225 -3.407 1.00 0.00 N ATOM 610 CA ASN A 65 8.828 -10.512 -2.777 1.00 0.00 C ATOM 611 C ASN A 65 7.707 -10.422 -1.726 1.00 0.00 C ATOM 612 O ASN A 65 7.958 -10.040 -0.582 1.00 0.00 O ATOM 613 CB ASN A 65 10.094 -11.101 -2.134 1.00 0.00 C ATOM 614 CG ASN A 65 11.085 -10.078 -1.586 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.223 -9.985 -2.022 1.00 0.00 O ATOM 616 ND2 ASN A 65 10.671 -9.246 -0.658 1.00 0.00 N ATOM 0 H ASN A 65 10.150 -9.080 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 65 8.460 -11.163 -3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.794 -11.763 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.605 -11.716 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.299 -8.525 -0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.722 -9.321 -0.292 1.00 0.00 H new ATOM 623 N GLY A 66 6.470 -10.753 -2.102 1.00 0.00 N ATOM 624 CA GLY A 66 5.332 -10.699 -1.185 1.00 0.00 C ATOM 625 C GLY A 66 4.874 -9.288 -0.796 1.00 0.00 C ATOM 626 O GLY A 66 3.829 -9.142 -0.154 1.00 0.00 O ATOM 0 H GLY A 66 6.231 -11.064 -3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.493 -11.223 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.591 -11.243 -0.277 1.00 0.00 H new ATOM 630 N PHE A 67 5.616 -8.244 -1.179 1.00 0.00 N ATOM 631 CA PHE A 67 5.421 -6.882 -0.670 1.00 0.00 C ATOM 632 C PHE A 67 5.153 -5.881 -1.800 1.00 0.00 C ATOM 633 O PHE A 67 5.685 -5.964 -2.904 1.00 0.00 O ATOM 634 CB PHE A 67 6.621 -6.420 0.178 1.00 0.00 C ATOM 635 CG PHE A 67 7.184 -7.350 1.247 1.00 0.00 C ATOM 636 CD1 PHE A 67 6.364 -8.255 1.941 1.00 0.00 C ATOM 637 CD2 PHE A 67 8.549 -7.265 1.585 1.00 0.00 C ATOM 638 CE1 PHE A 67 6.878 -9.035 2.989 1.00 0.00 C ATOM 639 CE2 PHE A 67 9.078 -8.070 2.615 1.00 0.00 C ATOM 640 CZ PHE A 67 8.241 -8.950 3.322 1.00 0.00 C ATOM 0 H PHE A 67 6.375 -8.321 -1.856 1.00 0.00 H new ATOM 0 HA PHE A 67 4.538 -6.911 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.433 -6.180 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.335 -5.491 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.324 -8.352 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.193 -6.580 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.227 -9.699 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.128 -8.010 2.861 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.643 -9.559 4.118 1.00 0.00 H new ATOM 650 N ALA A 68 4.368 -4.873 -1.468 1.00 0.00 N ATOM 651 CA ALA A 68 4.055 -3.703 -2.263 1.00 0.00 C ATOM 652 C ALA A 68 4.196 -2.484 -1.360 1.00 0.00 C ATOM 653 O ALA A 68 3.749 -2.481 -0.201 1.00 0.00 O ATOM 654 CB ALA A 68 2.641 -3.841 -2.811 1.00 0.00 C ATOM 0 H ALA A 68 3.896 -4.851 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 68 4.729 -3.596 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.396 -2.965 -3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.577 -4.735 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.936 -3.922 -1.983 1.00 0.00 H new ATOM 660 N PHE A 69 4.811 -1.444 -1.908 1.00 0.00 N ATOM 661 CA PHE A 69 4.910 -0.145 -1.251 1.00 0.00 C ATOM 662 C PHE A 69 4.364 0.870 -2.231 1.00 0.00 C ATOM 663 O PHE A 69 5.063 1.396 -3.102 1.00 0.00 O ATOM 664 CB PHE A 69 6.319 0.204 -0.749 1.00 0.00 C ATOM 665 CG PHE A 69 6.971 -0.860 0.098 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.416 -2.047 -0.499 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.128 -0.679 1.481 1.00 0.00 C ATOM 668 CE1 PHE A 69 7.993 -3.073 0.260 1.00 0.00 C ATOM 669 CE2 PHE A 69 7.709 -1.705 2.253 1.00 0.00 C ATOM 670 CZ PHE A 69 8.125 -2.906 1.648 1.00 0.00 C ATOM 0 H PHE A 69 5.257 -1.477 -2.825 1.00 0.00 H new ATOM 0 HA PHE A 69 4.327 -0.154 -0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.957 0.404 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.265 1.126 -0.171 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.312 -2.173 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.806 0.239 1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.332 -3.981 -0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.836 -1.569 3.317 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.545 -3.698 2.250 1.00 0.00 H new ATOM 680 N VAL A 70 3.054 1.020 -2.150 1.00 0.00 N ATOM 681 CA VAL A 70 2.306 1.948 -2.983 1.00 0.00 C ATOM 682 C VAL A 70 2.506 3.345 -2.406 1.00 0.00 C ATOM 683 O VAL A 70 2.900 3.519 -1.255 1.00 0.00 O ATOM 684 CB VAL A 70 0.845 1.473 -3.129 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.113 1.936 -4.384 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.791 -0.026 -3.391 1.00 0.00 C ATOM 0 H VAL A 70 2.472 0.495 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 70 2.667 1.984 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 70 0.404 1.854 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.903 1.542 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.080 3.025 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.638 1.572 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.248 -0.341 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.329 -0.254 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.253 -0.558 -2.559 1.00 0.00 H new ATOM 696 N GLU A 71 2.280 4.357 -3.220 1.00 0.00 N ATOM 697 CA GLU A 71 2.588 5.743 -2.911 1.00 0.00 C ATOM 698 C GLU A 71 1.637 6.630 -3.711 1.00 0.00 C ATOM 699 O GLU A 71 1.269 6.302 -4.842 1.00 0.00 O ATOM 700 CB GLU A 71 4.047 6.016 -3.320 1.00 0.00 C ATOM 701 CG GLU A 71 4.508 7.380 -2.789 1.00 0.00 C ATOM 702 CD GLU A 71 5.967 7.698 -3.148 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.875 6.940 -2.743 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.211 8.735 -3.808 1.00 0.00 O ATOM 0 H GLU A 71 1.864 4.236 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 71 2.468 5.951 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.693 5.230 -2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.137 5.993 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.861 8.159 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.393 7.400 -1.705 1.00 0.00 H new ATOM 711 N PHE A 72 1.281 7.779 -3.145 1.00 0.00 N ATOM 712 CA PHE A 72 0.390 8.744 -3.779 1.00 0.00 C ATOM 713 C PHE A 72 0.983 10.152 -3.822 1.00 0.00 C ATOM 714 O PHE A 72 1.951 10.473 -3.133 1.00 0.00 O ATOM 715 CB PHE A 72 -0.956 8.744 -3.037 1.00 0.00 C ATOM 716 CG PHE A 72 -1.596 7.411 -2.684 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.794 6.411 -3.646 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.128 7.228 -1.394 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.592 5.287 -3.370 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.938 6.114 -1.122 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.188 5.154 -2.111 1.00 0.00 C ATOM 0 H PHE A 72 1.607 8.069 -2.223 1.00 0.00 H new ATOM 0 HA PHE A 72 0.246 8.441 -4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.822 9.302 -2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.668 9.302 -3.645 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.326 6.505 -4.615 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.913 7.944 -0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.744 4.530 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.373 5.996 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.837 4.316 -1.903 1.00 0.00 H new ATOM 731 N GLU A 73 0.383 11.004 -4.649 1.00 0.00 N ATOM 732 CA GLU A 73 0.683 12.441 -4.704 1.00 0.00 C ATOM 733 C GLU A 73 -0.240 13.280 -3.787 1.00 0.00 C ATOM 734 O GLU A 73 -0.008 14.475 -3.601 1.00 0.00 O ATOM 735 CB GLU A 73 0.652 12.939 -6.151 1.00 0.00 C ATOM 736 CG GLU A 73 -0.700 12.719 -6.845 1.00 0.00 C ATOM 737 CD GLU A 73 -0.623 13.099 -8.338 1.00 0.00 C ATOM 738 OE1 GLU A 73 -0.697 14.308 -8.665 1.00 0.00 O ATOM 739 OE2 GLU A 73 -0.500 12.191 -9.200 1.00 0.00 O ATOM 0 H GLU A 73 -0.337 10.716 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 73 1.692 12.577 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.891 14.002 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.430 12.430 -6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.998 11.675 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.467 13.317 -6.353 1.00 0.00 H new ATOM 746 N GLU A 74 -1.264 12.661 -3.178 1.00 0.00 N ATOM 747 CA GLU A 74 -2.175 13.288 -2.212 1.00 0.00 C ATOM 748 C GLU A 74 -2.259 12.484 -0.897 1.00 0.00 C ATOM 749 O GLU A 74 -2.552 11.285 -0.894 1.00 0.00 O ATOM 750 CB GLU A 74 -3.578 13.545 -2.810 1.00 0.00 C ATOM 751 CG GLU A 74 -4.301 12.343 -3.449 1.00 0.00 C ATOM 752 CD GLU A 74 -5.826 12.566 -3.620 1.00 0.00 C ATOM 753 OE1 GLU A 74 -6.259 13.711 -3.895 1.00 0.00 O ATOM 754 OE2 GLU A 74 -6.606 11.589 -3.489 1.00 0.00 O ATOM 0 H GLU A 74 -1.486 11.681 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.750 14.262 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.215 13.941 -2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.486 14.325 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.859 12.138 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.137 11.459 -2.833 1.00 0.00 H new ATOM 761 N ALA A 75 -2.061 13.165 0.225 1.00 0.00 N ATOM 762 CA ALA A 75 -2.314 12.612 1.563 1.00 0.00 C ATOM 763 C ALA A 75 -3.791 12.214 1.762 1.00 0.00 C ATOM 764 O ALA A 75 -4.099 11.321 2.551 1.00 0.00 O ATOM 765 CB ALA A 75 -1.869 13.637 2.611 1.00 0.00 C ATOM 0 H ALA A 75 -1.717 14.125 0.239 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.737 11.694 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.051 13.239 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.805 13.842 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.433 14.560 2.480 1.00 0.00 H new ATOM 771 N GLU A 76 -4.709 12.821 1.008 1.00 0.00 N ATOM 772 CA GLU A 76 -6.124 12.437 0.967 1.00 0.00 C ATOM 773 C GLU A 76 -6.341 11.035 0.373 1.00 0.00 C ATOM 774 O GLU A 76 -7.277 10.346 0.781 1.00 0.00 O ATOM 775 CB GLU A 76 -6.939 13.470 0.176 1.00 0.00 C ATOM 776 CG GLU A 76 -6.757 14.914 0.665 1.00 0.00 C ATOM 777 CD GLU A 76 -6.990 15.057 2.186 1.00 0.00 C ATOM 778 OE1 GLU A 76 -8.147 14.881 2.647 1.00 0.00 O ATOM 779 OE2 GLU A 76 -6.025 15.351 2.931 1.00 0.00 O ATOM 0 H GLU A 76 -4.488 13.607 0.397 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.470 12.410 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.655 13.414 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.995 13.207 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.750 15.253 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.450 15.565 0.132 1.00 0.00 H new ATOM 786 N SER A 77 -5.464 10.565 -0.519 1.00 0.00 N ATOM 787 CA SER A 77 -5.493 9.160 -0.940 1.00 0.00 C ATOM 788 C SER A 77 -4.977 8.248 0.133 1.00 0.00 C ATOM 789 O SER A 77 -5.553 7.188 0.324 1.00 0.00 O ATOM 790 CB SER A 77 -4.789 8.886 -2.261 1.00 0.00 C ATOM 791 OG SER A 77 -5.078 7.588 -2.748 1.00 0.00 O ATOM 0 H SER A 77 -4.735 11.127 -0.959 1.00 0.00 H new ATOM 0 HA SER A 77 -6.547 8.944 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.096 9.628 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.712 8.994 -2.129 1.00 0.00 H new ATOM 0 HG SER A 77 -4.400 6.959 -2.425 1.00 0.00 H new ATOM 797 N ALA A 78 -3.978 8.650 0.920 1.00 0.00 N ATOM 798 CA ALA A 78 -3.592 7.860 2.074 1.00 0.00 C ATOM 799 C ALA A 78 -4.735 7.785 3.091 1.00 0.00 C ATOM 800 O ALA A 78 -5.130 6.675 3.427 1.00 0.00 O ATOM 801 CB ALA A 78 -2.272 8.383 2.601 1.00 0.00 C ATOM 0 H ALA A 78 -3.435 9.502 0.778 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.418 6.818 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.969 7.798 3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.512 8.300 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.384 9.428 2.889 1.00 0.00 H new ATOM 807 N ALA A 79 -5.366 8.905 3.464 1.00 0.00 N ATOM 808 CA ALA A 79 -6.571 8.927 4.297 1.00 0.00 C ATOM 809 C ALA A 79 -7.667 7.970 3.792 1.00 0.00 C ATOM 810 O ALA A 79 -8.149 7.110 4.538 1.00 0.00 O ATOM 811 CB ALA A 79 -7.073 10.372 4.412 1.00 0.00 C ATOM 0 H ALA A 79 -5.048 9.835 3.191 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.310 8.558 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.970 10.397 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.300 10.990 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.306 10.756 3.419 1.00 0.00 H new ATOM 817 N LYS A 80 -8.029 8.064 2.504 1.00 0.00 N ATOM 818 CA LYS A 80 -9.075 7.198 1.945 1.00 0.00 C ATOM 819 C LYS A 80 -8.638 5.742 1.844 1.00 0.00 C ATOM 820 O LYS A 80 -9.393 4.864 2.235 1.00 0.00 O ATOM 821 CB LYS A 80 -9.658 7.771 0.638 1.00 0.00 C ATOM 822 CG LYS A 80 -9.084 7.244 -0.682 1.00 0.00 C ATOM 823 CD LYS A 80 -9.589 8.102 -1.870 1.00 0.00 C ATOM 824 CE LYS A 80 -8.506 9.084 -2.330 1.00 0.00 C ATOM 825 NZ LYS A 80 -8.846 9.863 -3.541 1.00 0.00 N ATOM 0 H LYS A 80 -7.620 8.721 1.839 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.902 7.190 2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.732 7.583 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.524 8.853 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.995 7.265 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.378 6.204 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.874 7.453 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.483 8.651 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.296 9.778 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.588 8.528 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.104 10.569 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.917 9.222 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.756 10.345 -3.399 1.00 0.00 H new ATOM 839 N ALA A 81 -7.406 5.483 1.411 1.00 0.00 N ATOM 840 CA ALA A 81 -6.834 4.143 1.324 1.00 0.00 C ATOM 841 C ALA A 81 -6.827 3.484 2.720 1.00 0.00 C ATOM 842 O ALA A 81 -7.211 2.325 2.862 1.00 0.00 O ATOM 843 CB ALA A 81 -5.425 4.207 0.725 1.00 0.00 C ATOM 0 H ALA A 81 -6.765 6.215 1.105 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.447 3.529 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.009 3.201 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.474 4.639 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.789 4.826 1.357 1.00 0.00 H new ATOM 849 N ILE A 82 -6.459 4.237 3.768 1.00 0.00 N ATOM 850 CA ILE A 82 -6.518 3.788 5.164 1.00 0.00 C ATOM 851 C ILE A 82 -7.933 3.331 5.503 1.00 0.00 C ATOM 852 O ILE A 82 -8.157 2.168 5.846 1.00 0.00 O ATOM 853 CB ILE A 82 -6.043 4.871 6.164 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.537 5.189 6.046 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.321 4.509 7.634 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.271 6.650 6.401 1.00 0.00 C ATOM 0 H ILE A 82 -6.107 5.189 3.666 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.828 2.950 5.263 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.630 5.746 5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.968 4.538 6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.195 4.987 5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.963 5.311 8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.393 4.377 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.804 3.583 7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.205 6.858 6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.824 7.297 5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.594 6.840 7.424 1.00 0.00 H new ATOM 868 N GLU A 83 -8.908 4.227 5.352 1.00 0.00 N ATOM 869 CA GLU A 83 -10.299 3.905 5.674 1.00 0.00 C ATOM 870 C GLU A 83 -10.882 2.778 4.794 1.00 0.00 C ATOM 871 O GLU A 83 -11.753 2.033 5.247 1.00 0.00 O ATOM 872 CB GLU A 83 -11.142 5.185 5.627 1.00 0.00 C ATOM 873 CG GLU A 83 -10.726 6.202 6.701 1.00 0.00 C ATOM 874 CD GLU A 83 -10.917 5.665 8.139 1.00 0.00 C ATOM 875 OE1 GLU A 83 -12.041 5.767 8.688 1.00 0.00 O ATOM 876 OE2 GLU A 83 -9.944 5.143 8.733 1.00 0.00 O ATOM 0 H GLU A 83 -8.762 5.177 5.011 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.327 3.504 6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.048 5.642 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.193 4.929 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.680 6.471 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.310 7.114 6.578 1.00 0.00 H new ATOM 883 N GLU A 84 -10.340 2.569 3.590 1.00 0.00 N ATOM 884 CA GLU A 84 -10.765 1.534 2.639 1.00 0.00 C ATOM 885 C GLU A 84 -10.177 0.149 2.945 1.00 0.00 C ATOM 886 O GLU A 84 -10.879 -0.853 2.804 1.00 0.00 O ATOM 887 CB GLU A 84 -10.310 1.906 1.209 1.00 0.00 C ATOM 888 CG GLU A 84 -11.108 3.025 0.528 1.00 0.00 C ATOM 889 CD GLU A 84 -12.360 2.486 -0.186 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.338 2.097 0.490 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.383 2.461 -1.437 1.00 0.00 O ATOM 0 H GLU A 84 -9.567 3.134 3.238 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.850 1.485 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.262 2.203 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.366 1.014 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.405 3.764 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.471 3.537 -0.193 1.00 0.00 H new ATOM 898 N VAL A 85 -8.906 0.069 3.380 1.00 0.00 N ATOM 899 CA VAL A 85 -8.165 -1.209 3.433 1.00 0.00 C ATOM 900 C VAL A 85 -7.063 -1.318 4.510 1.00 0.00 C ATOM 901 O VAL A 85 -6.578 -2.416 4.761 1.00 0.00 O ATOM 902 CB VAL A 85 -7.672 -1.549 2.012 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.730 -0.494 1.425 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.041 -2.935 1.865 1.00 0.00 C ATOM 0 H VAL A 85 -8.368 0.874 3.701 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.868 -1.967 3.777 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.597 -1.554 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.422 -0.797 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.246 0.465 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.850 -0.397 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.725 -3.083 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.176 -3.013 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.772 -3.698 2.134 1.00 0.00 H new ATOM 914 N HIS A 86 -6.714 -0.266 5.260 1.00 0.00 N ATOM 915 CA HIS A 86 -5.837 -0.423 6.438 1.00 0.00 C ATOM 916 C HIS A 86 -6.505 -1.238 7.555 1.00 0.00 C ATOM 917 O HIS A 86 -7.565 -0.860 8.057 1.00 0.00 O ATOM 918 CB HIS A 86 -5.431 0.929 7.026 1.00 0.00 C ATOM 919 CG HIS A 86 -4.366 0.847 8.100 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.074 1.291 7.968 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.488 0.363 9.375 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.421 1.064 9.114 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.244 0.493 10.011 1.00 0.00 N ATOM 0 H HIS A 86 -7.017 0.691 5.081 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.956 -0.953 6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.070 1.569 6.221 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.315 1.411 7.443 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.677 1.723 7.134 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.385 -0.047 9.814 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.383 1.305 9.292 1.00 0.00 H new ATOM 931 N GLY A 87 -5.872 -2.336 7.965 1.00 0.00 N ATOM 932 CA GLY A 87 -6.258 -3.108 9.158 1.00 0.00 C ATOM 933 C GLY A 87 -7.205 -4.257 8.814 1.00 0.00 C ATOM 934 O GLY A 87 -7.551 -5.078 9.668 1.00 0.00 O ATOM 0 H GLY A 87 -5.066 -2.724 7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.364 -3.506 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.738 -2.446 9.879 1.00 0.00 H new ATOM 938 N LYS A 88 -7.599 -4.314 7.537 1.00 0.00 N ATOM 939 CA LYS A 88 -8.343 -5.380 6.900 1.00 0.00 C ATOM 940 C LYS A 88 -7.373 -6.517 6.589 1.00 0.00 C ATOM 941 O LYS A 88 -6.235 -6.261 6.206 1.00 0.00 O ATOM 942 CB LYS A 88 -8.900 -4.811 5.589 1.00 0.00 C ATOM 943 CG LYS A 88 -10.119 -3.873 5.724 1.00 0.00 C ATOM 944 CD LYS A 88 -9.812 -2.561 6.466 1.00 0.00 C ATOM 945 CE LYS A 88 -10.774 -1.430 6.093 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.287 -0.108 6.577 1.00 0.00 N ATOM 0 H LYS A 88 -7.386 -3.559 6.885 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.148 -5.751 7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.102 -4.267 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.177 -5.644 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.497 -3.637 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.915 -4.400 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.863 -2.736 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.791 -2.252 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.896 -1.398 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.757 -1.633 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.836 0.651 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.403 -0.052 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.281 0.001 6.335 1.00 0.00 H new ATOM 960 N SER A 89 -7.815 -7.754 6.768 1.00 0.00 N ATOM 961 CA SER A 89 -6.974 -8.957 6.706 1.00 0.00 C ATOM 962 C SER A 89 -6.890 -9.544 5.290 1.00 0.00 C ATOM 963 O SER A 89 -7.837 -10.189 4.829 1.00 0.00 O ATOM 964 CB SER A 89 -7.491 -9.993 7.719 1.00 0.00 C ATOM 965 OG SER A 89 -8.855 -10.319 7.492 1.00 0.00 O ATOM 0 H SER A 89 -8.794 -7.962 6.966 1.00 0.00 H new ATOM 0 HA SER A 89 -5.955 -8.674 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.886 -10.897 7.655 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.374 -9.602 8.730 1.00 0.00 H new ATOM 0 HG SER A 89 -9.014 -10.409 6.529 1.00 0.00 H new ATOM 971 N PHE A 90 -5.766 -9.353 4.592 1.00 0.00 N ATOM 972 CA PHE A 90 -5.531 -10.007 3.289 1.00 0.00 C ATOM 973 C PHE A 90 -4.577 -11.209 3.438 1.00 0.00 C ATOM 974 O PHE A 90 -3.656 -11.158 4.241 1.00 0.00 O ATOM 975 CB PHE A 90 -5.027 -8.927 2.330 1.00 0.00 C ATOM 976 CG PHE A 90 -5.272 -9.242 0.866 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.637 -10.327 0.238 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.237 -8.499 0.154 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.017 -10.719 -1.050 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.585 -8.858 -1.149 1.00 0.00 C ATOM 981 CZ PHE A 90 -5.997 -9.989 -1.743 1.00 0.00 C ATOM 0 H PHE A 90 -5.002 -8.753 4.902 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.446 -10.435 2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.513 -7.982 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.958 -8.786 2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.852 -10.861 0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.709 -7.647 0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.558 -11.581 -1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.304 -8.269 -1.699 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.299 -10.297 -2.733 1.00 0.00 H new ATOM 991 N ALA A 91 -4.773 -12.281 2.658 1.00 0.00 N ATOM 992 CA ALA A 91 -3.962 -13.514 2.559 1.00 0.00 C ATOM 993 C ALA A 91 -3.652 -14.288 3.866 1.00 0.00 C ATOM 994 O ALA A 91 -4.011 -15.463 3.975 1.00 0.00 O ATOM 995 CB ALA A 91 -2.682 -13.211 1.762 1.00 0.00 C ATOM 0 H ALA A 91 -5.571 -12.316 2.023 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.606 -14.222 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.079 -14.116 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.949 -12.866 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.110 -12.436 2.273 1.00 0.00 H new ATOM 1001 N ASN A 92 -3.004 -13.663 4.859 1.00 0.00 N ATOM 1002 CA ASN A 92 -2.719 -14.229 6.184 1.00 0.00 C ATOM 1003 C ASN A 92 -2.795 -13.208 7.342 1.00 0.00 C ATOM 1004 O ASN A 92 -2.804 -13.620 8.508 1.00 0.00 O ATOM 1005 CB ASN A 92 -1.350 -14.952 6.126 1.00 0.00 C ATOM 1006 CG ASN A 92 -0.143 -14.092 6.477 1.00 0.00 C ATOM 1007 OD1 ASN A 92 0.266 -14.002 7.625 1.00 0.00 O ATOM 1008 ND2 ASN A 92 0.492 -13.429 5.542 1.00 0.00 N ATOM 0 H ASN A 92 -2.650 -12.712 4.757 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.508 -14.943 6.419 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.379 -15.803 6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.211 -15.351 5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.303 -12.859 5.782 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.176 -13.483 4.574 1.00 0.00 H new ATOM 1015 N GLN A 93 -2.839 -11.895 7.062 1.00 0.00 N ATOM 1016 CA GLN A 93 -2.673 -10.823 8.062 1.00 0.00 C ATOM 1017 C GLN A 93 -3.133 -9.450 7.523 1.00 0.00 C ATOM 1018 O GLN A 93 -3.394 -9.303 6.322 1.00 0.00 O ATOM 1019 CB GLN A 93 -1.191 -10.798 8.512 1.00 0.00 C ATOM 1020 CG GLN A 93 -0.225 -10.430 7.383 1.00 0.00 C ATOM 1021 CD GLN A 93 1.235 -10.470 7.797 1.00 0.00 C ATOM 1022 OE1 GLN A 93 1.889 -9.446 7.924 1.00 0.00 O ATOM 1023 NE2 GLN A 93 1.808 -11.635 7.999 1.00 0.00 N ATOM 0 H GLN A 93 -2.994 -11.541 6.118 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.311 -11.031 8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.077 -10.083 9.327 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.921 -11.777 8.908 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.377 -11.115 6.549 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.465 -9.430 7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.268 -12.494 7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.793 -11.680 8.260 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.264 -8.418 8.370 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.700 -7.111 7.904 1.00 0.00 C ATOM 1034 C PRO A 94 -2.658 -6.270 7.162 1.00 0.00 C ATOM 1035 O PRO A 94 -1.453 -6.292 7.443 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.236 -6.383 9.139 1.00 0.00 C ATOM 1037 CG PRO A 94 -3.477 -7.047 10.288 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.371 -8.490 9.817 1.00 0.00 C ATOM 0 HA PRO A 94 -4.456 -7.263 7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.040 -5.312 9.092 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.314 -6.506 9.243 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.496 -6.596 10.441 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.016 -6.966 11.232 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.500 -8.982 10.251 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.246 -9.066 10.118 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.197 -5.479 6.235 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.532 -4.411 5.498 1.00 0.00 C ATOM 1048 C LEU A 95 -2.136 -3.240 6.402 1.00 0.00 C ATOM 1049 O LEU A 95 -2.812 -2.931 7.388 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.514 -3.882 4.438 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.835 -4.750 3.215 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.651 -5.526 2.672 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -5.012 -5.661 3.448 1.00 0.00 C ATOM 0 H LEU A 95 -4.175 -5.576 5.963 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.624 -4.820 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.456 -3.665 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.122 -2.933 4.073 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.107 -4.032 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.965 -6.113 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.867 -4.831 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.268 -6.193 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.197 -6.253 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.797 -6.326 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.895 -5.064 3.677 1.00 0.00 H new ATOM 1065 N GLU A 96 -1.098 -2.517 5.981 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.500 -1.396 6.711 1.00 0.00 C ATOM 1067 C GLU A 96 -0.369 -0.183 5.770 1.00 0.00 C ATOM 1068 O GLU A 96 0.668 0.438 5.554 1.00 0.00 O ATOM 1069 CB GLU A 96 0.790 -1.909 7.346 1.00 0.00 C ATOM 1070 CG GLU A 96 1.232 -1.035 8.516 1.00 0.00 C ATOM 1071 CD GLU A 96 2.333 -1.737 9.326 1.00 0.00 C ATOM 1072 OE1 GLU A 96 2.273 -2.976 9.528 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.261 -1.047 9.799 1.00 0.00 O ATOM 0 H GLU A 96 -0.633 -2.701 5.092 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.117 -1.025 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.643 -2.932 7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.579 -1.937 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.599 -0.078 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.379 -0.821 9.160 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.496 0.094 5.126 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.740 1.150 4.144 1.00 0.00 C ATOM 1082 C VAL A 97 -1.662 2.479 4.878 1.00 0.00 C ATOM 1083 O VAL A 97 -2.578 2.758 5.651 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.172 0.924 3.639 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.775 2.033 2.786 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.270 -0.392 2.854 1.00 0.00 C ATOM 0 H VAL A 97 -2.336 -0.461 5.290 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.026 1.145 3.320 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.758 0.902 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.787 1.756 2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.805 2.959 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.165 2.179 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.293 -0.532 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.597 -0.356 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.990 -1.223 3.501 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.594 3.278 4.758 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.399 4.331 5.758 1.00 0.00 C ATOM 1098 C VAL A 98 0.516 5.476 5.291 1.00 0.00 C ATOM 1099 O VAL A 98 0.384 6.015 4.187 1.00 0.00 O ATOM 1100 CB VAL A 98 0.041 3.551 7.048 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.522 3.164 7.252 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.723 4.122 8.225 1.00 0.00 C ATOM 0 H VAL A 98 0.111 3.223 4.023 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.303 4.905 5.959 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.250 2.511 6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.632 2.632 8.197 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.846 2.521 6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.135 4.065 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.435 3.596 9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.491 5.182 8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.793 3.999 8.058 1.00 0.00 H new ATOM 1112 N TYR A 99 1.425 5.888 6.163 1.00 0.00 N ATOM 1113 CA TYR A 99 2.589 6.717 5.874 1.00 0.00 C ATOM 1114 C TYR A 99 3.772 5.737 5.995 1.00 0.00 C ATOM 1115 O TYR A 99 4.472 5.753 7.003 1.00 0.00 O ATOM 1116 CB TYR A 99 2.675 7.890 6.874 1.00 0.00 C ATOM 1117 CG TYR A 99 1.500 8.859 6.961 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.429 8.852 6.041 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.502 9.807 8.008 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.642 9.755 6.184 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.445 10.728 8.133 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.635 10.702 7.225 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.648 11.602 7.355 1.00 0.00 O ATOM 0 H TYR A 99 1.367 5.638 7.150 1.00 0.00 H new ATOM 0 HA TYR A 99 2.562 7.189 4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.831 7.468 7.867 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.565 8.469 6.630 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.431 8.149 5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.318 9.825 8.715 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.471 9.721 5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.461 11.459 8.928 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.477 12.177 8.130 1.00 0.00 H new ATOM 1133 N SER A 100 3.880 4.772 5.063 1.00 0.00 N ATOM 1134 CA SER A 100 4.783 3.607 5.154 1.00 0.00 C ATOM 1135 C SER A 100 6.133 3.872 5.847 1.00 0.00 C ATOM 1136 O SER A 100 6.845 4.815 5.493 1.00 0.00 O ATOM 1137 CB SER A 100 4.957 2.850 3.843 1.00 0.00 C ATOM 1138 OG SER A 100 6.037 1.933 3.908 1.00 0.00 O ATOM 0 H SER A 100 3.329 4.780 4.205 1.00 0.00 H new ATOM 0 HA SER A 100 4.241 2.944 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.038 2.314 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.129 3.559 3.033 1.00 0.00 H new ATOM 0 HG SER A 100 6.528 1.946 3.060 1.00 0.00 H new