USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 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= 0.959 K(o=1.5,f=-0.0043) USER MOD Set 1.2: A 93 GLN : amide:sc= 0.545 K(o=1.5,f=-0.094) USER MOD Single : A 30 SER OG : rot -180:sc= 0.129 USER MOD Single : A 31 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.016) USER MOD Single : A 32 THR OG1 : rot 143:sc= 0.622 USER MOD Single : A 44 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 46 SER OG : rot 81:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0051) USER MOD Single : A 58 MET CE :methyl 158:sc= -1.75 (180deg=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 2.08 (180deg=2.02) USER MOD Single : A 62 LYS NZ :NH3+ 144:sc= 0.893 (180deg=-0.067) USER MOD Single : A 65 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.16) USER MOD Single : A 77 SER OG : rot -118:sc= 2.02 USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= 0.795 (180deg=0.402) USER MOD Single : A 86 HIS : no HE2:sc= 0.591 K(o=0.59,f=-3!) USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= 1.01 (180deg=0.739) USER MOD Single : A 89 SER OG : rot 48:sc= 0.0744 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -130:sc= -0.39 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 5.716 10.113 6.132 1.00 0.00 N ATOM 36 CA SER A 30 5.892 9.770 4.707 1.00 0.00 C ATOM 37 C SER A 30 4.633 10.084 3.869 1.00 0.00 C ATOM 38 O SER A 30 4.684 10.001 2.652 1.00 0.00 O ATOM 39 CB SER A 30 6.225 8.279 4.528 1.00 0.00 C ATOM 40 OG SER A 30 7.510 7.965 5.026 1.00 0.00 O ATOM 0 HA SER A 30 6.720 10.385 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.478 7.675 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.171 8.019 3.471 1.00 0.00 H new ATOM 0 HG SER A 30 7.688 7.011 4.892 1.00 0.00 H new ATOM 46 N ASN A 31 3.514 10.439 4.532 1.00 0.00 N ATOM 47 CA ASN A 31 2.181 10.854 4.042 1.00 0.00 C ATOM 48 C ASN A 31 1.460 10.079 2.909 1.00 0.00 C ATOM 49 O ASN A 31 0.256 10.291 2.754 1.00 0.00 O ATOM 50 CB ASN A 31 2.073 12.388 3.859 1.00 0.00 C ATOM 51 CG ASN A 31 3.318 13.124 3.402 1.00 0.00 C ATOM 52 OD1 ASN A 31 3.834 13.991 4.095 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.840 12.832 2.240 1.00 0.00 N ATOM 0 H ASN A 31 3.524 10.442 5.552 1.00 0.00 H new ATOM 0 HA ASN A 31 1.584 10.511 4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.280 12.587 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.756 12.819 4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.672 13.325 1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.416 12.111 1.657 1.00 0.00 H new ATOM 60 N THR A 32 2.100 9.182 2.155 1.00 0.00 N ATOM 61 CA THR A 32 1.514 8.652 0.903 1.00 0.00 C ATOM 62 C THR A 32 1.844 7.194 0.555 1.00 0.00 C ATOM 63 O THR A 32 1.842 6.841 -0.623 1.00 0.00 O ATOM 64 CB THR A 32 1.927 9.546 -0.282 1.00 0.00 C ATOM 65 OG1 THR A 32 3.326 9.506 -0.472 1.00 0.00 O ATOM 66 CG2 THR A 32 1.554 11.017 -0.125 1.00 0.00 C ATOM 0 H THR A 32 3.020 8.804 2.381 1.00 0.00 H new ATOM 0 HA THR A 32 0.440 8.666 1.087 1.00 0.00 H new ATOM 0 HB THR A 32 1.377 9.137 -1.130 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.527 9.525 -1.431 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.882 11.571 -1.004 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.473 11.109 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.040 11.423 0.762 1.00 0.00 H new ATOM 74 N ARG A 33 2.116 6.313 1.531 1.00 0.00 N ATOM 75 CA ARG A 33 2.748 5.007 1.246 1.00 0.00 C ATOM 76 C ARG A 33 2.141 3.783 1.919 1.00 0.00 C ATOM 77 O ARG A 33 2.053 3.653 3.135 1.00 0.00 O ATOM 78 CB ARG A 33 4.226 5.115 1.607 1.00 0.00 C ATOM 79 CG ARG A 33 5.050 5.759 0.512 1.00 0.00 C ATOM 80 CD ARG A 33 6.315 6.502 0.961 1.00 0.00 C ATOM 81 NE ARG A 33 7.473 5.974 0.230 1.00 0.00 N ATOM 82 CZ ARG A 33 8.069 4.840 0.530 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.087 4.365 1.740 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.598 4.141 -0.415 1.00 0.00 N ATOM 0 H ARG A 33 1.912 6.475 2.517 1.00 0.00 H new ATOM 0 HA ARG A 33 2.574 4.824 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.330 5.696 2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.619 4.120 1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.342 4.984 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.414 6.461 -0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.209 7.571 0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.461 6.379 2.034 1.00 0.00 H new ATOM 0 HE ARG A 33 7.836 6.516 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.629 4.875 2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.559 3.482 1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.551 4.469 -1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.064 3.260 -0.198 1.00 0.00 H new ATOM 98 N LEU A 34 1.789 2.808 1.108 1.00 0.00 N ATOM 99 CA LEU A 34 0.998 1.672 1.535 1.00 0.00 C ATOM 100 C LEU A 34 1.866 0.419 1.698 1.00 0.00 C ATOM 101 O LEU A 34 2.338 -0.145 0.716 1.00 0.00 O ATOM 102 CB LEU A 34 -0.192 1.488 0.591 1.00 0.00 C ATOM 103 CG LEU A 34 -0.960 2.754 0.109 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.193 3.852 1.158 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.297 3.355 -1.117 1.00 0.00 C ATOM 0 H LEU A 34 2.047 2.781 0.122 1.00 0.00 H new ATOM 0 HA LEU A 34 0.586 1.861 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.165 0.960 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.909 0.833 1.086 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.954 2.374 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.737 4.680 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.775 3.447 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.233 4.209 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.852 4.238 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.727 3.638 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.290 2.621 -1.923 1.00 0.00 H new ATOM 117 N PHE A 35 2.060 0.013 2.959 1.00 0.00 N ATOM 118 CA PHE A 35 2.972 -1.031 3.421 1.00 0.00 C ATOM 119 C PHE A 35 2.141 -2.294 3.593 1.00 0.00 C ATOM 120 O PHE A 35 1.369 -2.511 4.532 1.00 0.00 O ATOM 121 CB PHE A 35 3.799 -0.532 4.614 1.00 0.00 C ATOM 122 CG PHE A 35 4.796 -1.472 5.285 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.189 -2.699 4.704 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.452 -1.037 6.454 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.221 -3.465 5.276 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.489 -1.800 7.021 1.00 0.00 C ATOM 127 CZ PHE A 35 6.878 -3.013 6.431 1.00 0.00 C ATOM 0 H PHE A 35 1.547 0.436 3.733 1.00 0.00 H new ATOM 0 HA PHE A 35 3.755 -1.291 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.352 0.347 4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.099 -0.199 5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.692 -3.052 3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.156 -0.109 6.919 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.509 -4.403 4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.988 -1.451 7.913 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.678 -3.595 6.863 1.00 0.00 H new ATOM 137 N VAL A 36 2.257 -3.102 2.558 1.00 0.00 N ATOM 138 CA VAL A 36 1.314 -4.141 2.192 1.00 0.00 C ATOM 139 C VAL A 36 2.061 -5.461 2.061 1.00 0.00 C ATOM 140 O VAL A 36 2.752 -5.744 1.092 1.00 0.00 O ATOM 141 CB VAL A 36 0.674 -3.555 0.919 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.129 -4.427 0.003 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.289 -2.407 1.298 1.00 0.00 C ATOM 0 H VAL A 36 3.050 -3.050 1.918 1.00 0.00 H new ATOM 0 HA VAL A 36 0.529 -4.390 2.906 1.00 0.00 H new ATOM 0 HB VAL A 36 1.573 -3.289 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.496 -3.834 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.498 -5.236 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.975 -4.846 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.739 -1.996 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.073 -2.790 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.265 -1.624 1.816 1.00 0.00 H new ATOM 153 N ARG A 37 1.950 -6.250 3.136 1.00 0.00 N ATOM 154 CA ARG A 37 2.749 -7.461 3.398 1.00 0.00 C ATOM 155 C ARG A 37 2.044 -8.734 3.948 1.00 0.00 C ATOM 156 O ARG A 37 2.746 -9.733 4.090 1.00 0.00 O ATOM 157 CB ARG A 37 3.921 -7.040 4.305 1.00 0.00 C ATOM 158 CG ARG A 37 3.465 -6.452 5.660 1.00 0.00 C ATOM 159 CD ARG A 37 4.563 -6.509 6.726 1.00 0.00 C ATOM 160 NE ARG A 37 4.072 -6.015 8.035 1.00 0.00 N ATOM 161 CZ ARG A 37 3.839 -4.763 8.394 1.00 0.00 C ATOM 162 NH1 ARG A 37 4.036 -3.744 7.623 1.00 0.00 N ATOM 163 NH2 ARG A 37 3.390 -4.458 9.576 1.00 0.00 N ATOM 0 H ARG A 37 1.277 -6.058 3.878 1.00 0.00 H new ATOM 0 HA ARG A 37 3.051 -7.817 2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.558 -7.905 4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.529 -6.301 3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.156 -5.417 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.591 -6.999 6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.917 -7.535 6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.415 -5.909 6.405 1.00 0.00 H new ATOM 0 HE ARG A 37 3.892 -6.726 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.391 -3.882 6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.836 -2.803 7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.207 -5.194 10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.221 -3.482 9.821 1.00 0.00 H new ATOM 177 N PRO A 38 0.726 -8.782 4.259 1.00 0.00 N ATOM 178 CA PRO A 38 0.019 -10.017 4.642 1.00 0.00 C ATOM 179 C PRO A 38 0.218 -11.246 3.755 1.00 0.00 C ATOM 180 O PRO A 38 0.359 -12.368 4.251 1.00 0.00 O ATOM 181 CB PRO A 38 -1.458 -9.628 4.632 1.00 0.00 C ATOM 182 CG PRO A 38 -1.398 -8.221 5.188 1.00 0.00 C ATOM 183 CD PRO A 38 -0.194 -7.663 4.429 1.00 0.00 C ATOM 0 HA PRO A 38 0.423 -10.344 5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.884 -9.656 3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.062 -10.290 5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.310 -7.658 4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.247 -8.209 6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.495 -7.255 3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.276 -6.852 4.985 1.00 0.00 H new ATOM 191 N PHE A 39 0.197 -11.028 2.443 1.00 0.00 N ATOM 192 CA PHE A 39 0.403 -12.048 1.416 1.00 0.00 C ATOM 193 C PHE A 39 1.788 -12.704 1.523 1.00 0.00 C ATOM 194 O PHE A 39 2.743 -12.052 1.957 1.00 0.00 O ATOM 195 CB PHE A 39 0.284 -11.444 0.000 1.00 0.00 C ATOM 196 CG PHE A 39 -0.336 -10.069 -0.066 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.421 -8.946 0.316 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.680 -9.915 -0.450 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.198 -7.697 0.375 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.257 -8.638 -0.491 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.524 -7.531 -0.055 1.00 0.00 C ATOM 0 H PHE A 39 0.030 -10.102 2.050 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.371 -12.798 1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.279 -11.397 -0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.307 -12.121 -0.617 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.468 -9.050 0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.268 -10.781 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.350 -6.848 0.756 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.265 -8.510 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.976 -6.550 -0.049 1.00 0.00 H new ATOM 211 N PRO A 40 1.936 -13.965 1.082 1.00 0.00 N ATOM 212 CA PRO A 40 3.248 -14.549 0.849 1.00 0.00 C ATOM 213 C PRO A 40 3.852 -13.952 -0.440 1.00 0.00 C ATOM 214 O PRO A 40 3.535 -12.827 -0.830 1.00 0.00 O ATOM 215 CB PRO A 40 3.020 -16.076 0.812 1.00 0.00 C ATOM 216 CG PRO A 40 1.530 -16.285 1.089 1.00 0.00 C ATOM 217 CD PRO A 40 0.894 -14.933 0.790 1.00 0.00 C ATOM 0 HA PRO A 40 3.979 -14.326 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.299 -16.489 -0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.631 -16.580 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.114 -17.068 0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.357 -16.586 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.572 -14.868 -0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.012 -14.765 1.408 1.00 0.00 H new ATOM 225 N LEU A 41 4.706 -14.695 -1.147 1.00 0.00 N ATOM 226 CA LEU A 41 5.215 -14.301 -2.467 1.00 0.00 C ATOM 227 C LEU A 41 4.091 -14.070 -3.514 1.00 0.00 C ATOM 228 O LEU A 41 4.311 -13.441 -4.545 1.00 0.00 O ATOM 229 CB LEU A 41 6.246 -15.322 -2.997 1.00 0.00 C ATOM 230 CG LEU A 41 7.287 -15.989 -2.070 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.125 -14.991 -1.274 1.00 0.00 C ATOM 232 CD2 LEU A 41 6.704 -17.026 -1.102 1.00 0.00 C ATOM 0 H LEU A 41 5.067 -15.591 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 41 5.710 -13.341 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.679 -16.127 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.804 -14.823 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 41 7.932 -16.512 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.834 -15.531 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.669 -14.343 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.471 -14.386 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.504 -17.443 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.966 -16.548 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.227 -17.825 -1.669 1.00 0.00 H new ATOM 244 N ASP A 42 2.884 -14.582 -3.252 1.00 0.00 N ATOM 245 CA ASP A 42 1.675 -14.594 -4.090 1.00 0.00 C ATOM 246 C ASP A 42 0.944 -13.229 -4.256 1.00 0.00 C ATOM 247 O ASP A 42 -0.289 -13.169 -4.292 1.00 0.00 O ATOM 248 CB ASP A 42 0.720 -15.666 -3.538 1.00 0.00 C ATOM 249 CG ASP A 42 1.348 -17.068 -3.476 1.00 0.00 C ATOM 250 OD1 ASP A 42 2.038 -17.373 -2.469 1.00 0.00 O ATOM 251 OD2 ASP A 42 1.143 -17.874 -4.409 1.00 0.00 O ATOM 0 H ASP A 42 2.710 -15.045 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 42 2.006 -14.825 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.398 -15.375 -2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.173 -15.703 -4.162 1.00 0.00 H new ATOM 256 N VAL A 43 1.684 -12.121 -4.350 1.00 0.00 N ATOM 257 CA VAL A 43 1.175 -10.777 -4.695 1.00 0.00 C ATOM 258 C VAL A 43 2.098 -10.074 -5.695 1.00 0.00 C ATOM 259 O VAL A 43 3.318 -10.253 -5.658 1.00 0.00 O ATOM 260 CB VAL A 43 0.977 -9.931 -3.423 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.293 -9.545 -2.734 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.144 -8.660 -3.680 1.00 0.00 C ATOM 0 H VAL A 43 2.690 -12.128 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 43 0.204 -10.894 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 43 0.424 -10.585 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.078 -8.950 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.831 -10.448 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.906 -8.962 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.036 -8.102 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.648 -8.038 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.842 -8.940 -4.052 1.00 0.00 H new ATOM 272 N GLN A 44 1.521 -9.247 -6.572 1.00 0.00 N ATOM 273 CA GLN A 44 2.254 -8.374 -7.493 1.00 0.00 C ATOM 274 C GLN A 44 1.372 -7.209 -7.978 1.00 0.00 C ATOM 275 O GLN A 44 0.236 -7.040 -7.521 1.00 0.00 O ATOM 276 CB GLN A 44 2.861 -9.190 -8.664 1.00 0.00 C ATOM 277 CG GLN A 44 1.835 -9.765 -9.651 1.00 0.00 C ATOM 278 CD GLN A 44 2.114 -11.234 -9.959 1.00 0.00 C ATOM 279 OE1 GLN A 44 2.907 -11.583 -10.827 1.00 0.00 O ATOM 280 NE2 GLN A 44 1.497 -12.148 -9.243 1.00 0.00 N ATOM 0 H GLN A 44 0.508 -9.164 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 44 3.088 -7.927 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.553 -8.551 -9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.446 -10.012 -8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.833 -9.664 -9.235 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.856 -9.188 -10.576 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.836 -11.868 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.680 -13.137 -9.412 1.00 0.00 H new ATOM 289 N GLU A 45 1.880 -6.387 -8.904 1.00 0.00 N ATOM 290 CA GLU A 45 1.187 -5.183 -9.373 1.00 0.00 C ATOM 291 C GLU A 45 -0.204 -5.436 -9.975 1.00 0.00 C ATOM 292 O GLU A 45 -1.016 -4.523 -9.934 1.00 0.00 O ATOM 293 CB GLU A 45 2.079 -4.346 -10.310 1.00 0.00 C ATOM 294 CG GLU A 45 2.473 -5.074 -11.593 1.00 0.00 C ATOM 295 CD GLU A 45 3.302 -4.169 -12.531 1.00 0.00 C ATOM 296 OE1 GLU A 45 2.708 -3.371 -13.293 1.00 0.00 O ATOM 297 OE2 GLU A 45 4.554 -4.259 -12.520 1.00 0.00 O ATOM 0 H GLU A 45 2.785 -6.539 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 45 0.994 -4.598 -8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.555 -3.426 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.983 -4.057 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.049 -5.965 -11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.575 -5.410 -12.111 1.00 0.00 H new ATOM 304 N SER A 46 -0.539 -6.640 -10.456 1.00 0.00 N ATOM 305 CA SER A 46 -1.909 -6.999 -10.871 1.00 0.00 C ATOM 306 C SER A 46 -2.899 -7.170 -9.697 1.00 0.00 C ATOM 307 O SER A 46 -4.075 -6.809 -9.815 1.00 0.00 O ATOM 308 CB SER A 46 -1.895 -8.274 -11.729 1.00 0.00 C ATOM 309 OG SER A 46 -0.997 -9.262 -11.247 1.00 0.00 O ATOM 0 H SER A 46 0.133 -7.399 -10.570 1.00 0.00 H new ATOM 0 HA SER A 46 -2.269 -6.153 -11.457 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.901 -8.692 -11.763 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.623 -8.013 -12.752 1.00 0.00 H new ATOM 0 HG SER A 46 -1.415 -9.751 -10.508 1.00 0.00 H new ATOM 315 N GLU A 47 -2.442 -7.648 -8.538 1.00 0.00 N ATOM 316 CA GLU A 47 -3.260 -7.876 -7.357 1.00 0.00 C ATOM 317 C GLU A 47 -3.454 -6.547 -6.639 1.00 0.00 C ATOM 318 O GLU A 47 -4.564 -6.164 -6.253 1.00 0.00 O ATOM 319 CB GLU A 47 -2.484 -8.862 -6.482 1.00 0.00 C ATOM 320 CG GLU A 47 -2.700 -10.320 -6.892 1.00 0.00 C ATOM 321 CD GLU A 47 -1.748 -10.787 -8.007 1.00 0.00 C ATOM 322 OE1 GLU A 47 -0.628 -11.239 -7.675 1.00 0.00 O ATOM 323 OE2 GLU A 47 -2.106 -10.712 -9.207 1.00 0.00 O ATOM 0 H GLU A 47 -1.462 -7.893 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.244 -8.278 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.421 -8.629 -6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.786 -8.734 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.567 -10.959 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.730 -10.447 -7.226 1.00 0.00 H new ATOM 330 N LEU A 48 -2.363 -5.782 -6.553 1.00 0.00 N ATOM 331 CA LEU A 48 -2.411 -4.404 -6.140 1.00 0.00 C ATOM 332 C LEU A 48 -3.278 -3.592 -7.121 1.00 0.00 C ATOM 333 O LEU A 48 -4.041 -2.742 -6.704 1.00 0.00 O ATOM 334 CB LEU A 48 -0.977 -3.883 -6.058 1.00 0.00 C ATOM 335 CG LEU A 48 0.018 -4.641 -5.159 1.00 0.00 C ATOM 336 CD1 LEU A 48 1.429 -4.211 -5.490 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.060 -4.302 -3.685 1.00 0.00 C ATOM 0 H LEU A 48 -1.424 -6.116 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.873 -4.303 -5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.569 -3.868 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.017 -2.849 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.229 -5.688 -5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.132 -4.748 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.642 -4.435 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.532 -3.139 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.679 -4.887 -3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.141 -3.240 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.057 -4.535 -3.310 1.00 0.00 H new ATOM 349 N ASN A 49 -3.269 -3.871 -8.431 1.00 0.00 N ATOM 350 CA ASN A 49 -4.184 -3.186 -9.372 1.00 0.00 C ATOM 351 C ASN A 49 -5.660 -3.474 -9.049 1.00 0.00 C ATOM 352 O ASN A 49 -6.480 -2.557 -9.079 1.00 0.00 O ATOM 353 CB ASN A 49 -3.891 -3.520 -10.842 1.00 0.00 C ATOM 354 CG ASN A 49 -3.162 -2.401 -11.567 1.00 0.00 C ATOM 355 OD1 ASN A 49 -3.761 -1.530 -12.182 1.00 0.00 O ATOM 356 ND2 ASN A 49 -1.853 -2.401 -11.529 1.00 0.00 N ATOM 0 H ASN A 49 -2.650 -4.556 -8.865 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.999 -2.121 -9.235 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.291 -4.429 -10.891 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.829 -3.729 -11.356 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.329 -1.673 -12.014 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.358 -3.129 -11.015 1.00 0.00 H new ATOM 363 N GLU A 50 -6.007 -4.718 -8.712 1.00 0.00 N ATOM 364 CA GLU A 50 -7.363 -5.050 -8.243 1.00 0.00 C ATOM 365 C GLU A 50 -7.767 -4.327 -6.944 1.00 0.00 C ATOM 366 O GLU A 50 -8.921 -3.916 -6.800 1.00 0.00 O ATOM 367 CB GLU A 50 -7.500 -6.567 -8.054 1.00 0.00 C ATOM 368 CG GLU A 50 -7.976 -7.247 -9.347 1.00 0.00 C ATOM 369 CD GLU A 50 -8.277 -8.740 -9.113 1.00 0.00 C ATOM 370 OE1 GLU A 50 -9.363 -9.067 -8.573 1.00 0.00 O ATOM 371 OE2 GLU A 50 -7.445 -9.603 -9.492 1.00 0.00 O ATOM 0 H GLU A 50 -5.371 -5.515 -8.754 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.044 -4.699 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.541 -6.987 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.206 -6.774 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.871 -6.746 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.212 -7.144 -10.118 1.00 0.00 H new ATOM 378 N ILE A 51 -6.833 -4.160 -5.998 1.00 0.00 N ATOM 379 CA ILE A 51 -7.105 -3.592 -4.662 1.00 0.00 C ATOM 380 C ILE A 51 -7.018 -2.050 -4.632 1.00 0.00 C ATOM 381 O ILE A 51 -7.815 -1.410 -3.942 1.00 0.00 O ATOM 382 CB ILE A 51 -6.107 -4.224 -3.670 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.371 -5.736 -3.470 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.093 -3.504 -2.306 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.180 -6.479 -2.847 1.00 0.00 C ATOM 0 H ILE A 51 -5.856 -4.417 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.132 -3.828 -4.382 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.122 -4.102 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.246 -5.865 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.610 -6.187 -4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.374 -3.989 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.809 -2.461 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.086 -3.552 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.429 -7.534 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.309 -6.379 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.955 -6.052 -1.870 1.00 0.00 H new ATOM 397 N PHE A 52 -6.071 -1.457 -5.368 1.00 0.00 N ATOM 398 CA PHE A 52 -5.669 -0.039 -5.313 1.00 0.00 C ATOM 399 C PHE A 52 -6.109 0.766 -6.548 1.00 0.00 C ATOM 400 O PHE A 52 -6.266 1.985 -6.470 1.00 0.00 O ATOM 401 CB PHE A 52 -4.156 0.100 -5.222 1.00 0.00 C ATOM 402 CG PHE A 52 -3.497 -0.429 -3.973 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.401 -1.811 -3.763 1.00 0.00 C ATOM 404 CD2 PHE A 52 -2.894 0.456 -3.071 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.664 -2.330 -2.698 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.128 -0.064 -2.024 1.00 0.00 C ATOM 407 CZ PHE A 52 -1.979 -1.448 -1.866 1.00 0.00 C ATOM 0 H PHE A 52 -5.532 -1.980 -6.058 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.164 0.355 -4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.716 -0.409 -6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.906 1.157 -5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.906 -2.486 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.019 1.523 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.626 -3.395 -2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.646 0.608 -1.330 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.329 -1.833 -1.094 1.00 0.00 H new ATOM 417 N GLY A 53 -6.346 0.094 -7.674 1.00 0.00 N ATOM 418 CA GLY A 53 -6.986 0.683 -8.851 1.00 0.00 C ATOM 419 C GLY A 53 -8.323 1.399 -8.562 1.00 0.00 C ATOM 420 O GLY A 53 -8.575 2.424 -9.208 1.00 0.00 O ATOM 0 H GLY A 53 -6.096 -0.887 -7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.297 1.396 -9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.161 -0.103 -9.585 1.00 0.00 H new ATOM 424 N PRO A 54 -9.165 0.959 -7.595 1.00 0.00 N ATOM 425 CA PRO A 54 -10.334 1.724 -7.141 1.00 0.00 C ATOM 426 C PRO A 54 -10.003 3.111 -6.559 1.00 0.00 C ATOM 427 O PRO A 54 -10.846 4.010 -6.609 1.00 0.00 O ATOM 428 CB PRO A 54 -11.033 0.847 -6.089 1.00 0.00 C ATOM 429 CG PRO A 54 -10.538 -0.563 -6.397 1.00 0.00 C ATOM 430 CD PRO A 54 -9.105 -0.282 -6.826 1.00 0.00 C ATOM 0 HA PRO A 54 -10.969 1.941 -8.000 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.768 1.151 -5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.118 0.916 -6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.587 -1.216 -5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.119 -1.040 -7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.450 -0.177 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.708 -1.099 -7.429 1.00 0.00 H new ATOM 438 N PHE A 55 -8.799 3.309 -5.998 1.00 0.00 N ATOM 439 CA PHE A 55 -8.364 4.589 -5.424 1.00 0.00 C ATOM 440 C PHE A 55 -7.940 5.547 -6.532 1.00 0.00 C ATOM 441 O PHE A 55 -8.376 6.701 -6.551 1.00 0.00 O ATOM 442 CB PHE A 55 -7.190 4.402 -4.452 1.00 0.00 C ATOM 443 CG PHE A 55 -7.256 3.231 -3.499 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.485 2.677 -3.107 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.053 2.644 -3.080 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.513 1.507 -2.335 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.081 1.524 -2.223 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.313 0.940 -1.884 1.00 0.00 C ATOM 0 H PHE A 55 -8.094 2.575 -5.930 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.210 5.003 -4.875 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.277 4.306 -5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.094 5.313 -3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.409 3.152 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.108 3.048 -3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.457 1.044 -2.088 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.161 1.118 -1.830 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.336 0.050 -1.273 1.00 0.00 H new ATOM 458 N GLY A 56 -7.107 5.048 -7.449 1.00 0.00 N ATOM 459 CA GLY A 56 -6.847 5.718 -8.713 1.00 0.00 C ATOM 460 C GLY A 56 -5.405 5.785 -9.247 1.00 0.00 C ATOM 461 O GLY A 56 -5.086 5.087 -10.216 1.00 0.00 O ATOM 0 H GLY A 56 -6.599 4.172 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.456 5.230 -9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.211 6.742 -8.622 1.00 0.00 H new ATOM 465 N PRO A 57 -4.532 6.630 -8.664 1.00 0.00 N ATOM 466 CA PRO A 57 -3.247 7.002 -9.267 1.00 0.00 C ATOM 467 C PRO A 57 -2.123 5.954 -9.269 1.00 0.00 C ATOM 468 O PRO A 57 -1.380 5.885 -10.249 1.00 0.00 O ATOM 469 CB PRO A 57 -2.833 8.293 -8.550 1.00 0.00 C ATOM 470 CG PRO A 57 -3.525 8.213 -7.189 1.00 0.00 C ATOM 471 CD PRO A 57 -4.783 7.385 -7.437 1.00 0.00 C ATOM 0 HA PRO A 57 -3.401 7.117 -10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.750 8.357 -8.442 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.151 9.175 -9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.882 7.742 -6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.773 9.205 -6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.981 6.715 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.658 8.027 -7.545 1.00 0.00 H new ATOM 479 N MET A 58 -1.992 5.149 -8.211 1.00 0.00 N ATOM 480 CA MET A 58 -0.910 4.150 -7.988 1.00 0.00 C ATOM 481 C MET A 58 0.462 4.551 -8.540 1.00 0.00 C ATOM 482 O MET A 58 1.115 3.857 -9.328 1.00 0.00 O ATOM 483 CB MET A 58 -1.274 2.783 -8.529 1.00 0.00 C ATOM 484 CG MET A 58 -2.716 2.320 -8.296 1.00 0.00 C ATOM 485 SD MET A 58 -3.015 0.603 -8.785 1.00 0.00 S ATOM 486 CE MET A 58 -1.784 -0.200 -7.725 1.00 0.00 C ATOM 0 H MET A 58 -2.663 5.167 -7.443 1.00 0.00 H new ATOM 0 HA MET A 58 -0.821 4.113 -6.902 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.083 2.778 -9.602 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.603 2.049 -8.082 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.960 2.436 -7.240 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.392 2.970 -8.852 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.057 -1.245 -7.578 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.804 -0.144 -8.199 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.750 0.305 -6.760 1.00 0.00 H new ATOM 496 N LYS A 59 0.878 5.737 -8.122 1.00 0.00 N ATOM 497 CA LYS A 59 2.057 6.440 -8.581 1.00 0.00 C ATOM 498 C LYS A 59 3.333 5.610 -8.479 1.00 0.00 C ATOM 499 O LYS A 59 4.241 5.763 -9.295 1.00 0.00 O ATOM 500 CB LYS A 59 2.107 7.680 -7.712 1.00 0.00 C ATOM 501 CG LYS A 59 2.968 8.814 -8.200 1.00 0.00 C ATOM 502 CD LYS A 59 4.449 8.745 -7.837 1.00 0.00 C ATOM 503 CE LYS A 59 4.856 8.359 -6.416 1.00 0.00 C ATOM 504 NZ LYS A 59 6.338 8.318 -6.273 1.00 0.00 N ATOM 0 H LYS A 59 0.368 6.262 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 59 1.996 6.674 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.090 8.053 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.458 7.388 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.884 8.864 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.562 9.746 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.919 8.034 -8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.883 9.722 -8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.439 9.076 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.437 7.384 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.586 8.137 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.724 7.559 -6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.741 9.230 -6.569 1.00 0.00 H new ATOM 518 N GLU A 60 3.379 4.710 -7.499 1.00 0.00 N ATOM 519 CA GLU A 60 4.428 3.699 -7.395 1.00 0.00 C ATOM 520 C GLU A 60 3.935 2.462 -6.688 1.00 0.00 C ATOM 521 O GLU A 60 2.939 2.470 -5.971 1.00 0.00 O ATOM 522 CB GLU A 60 5.728 4.267 -6.783 1.00 0.00 C ATOM 523 CG GLU A 60 6.944 4.134 -7.701 1.00 0.00 C ATOM 524 CD GLU A 60 8.094 5.028 -7.202 1.00 0.00 C ATOM 525 OE1 GLU A 60 8.004 6.268 -7.396 1.00 0.00 O ATOM 526 OE2 GLU A 60 9.071 4.499 -6.614 1.00 0.00 O ATOM 0 H GLU A 60 2.686 4.662 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 60 4.688 3.393 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.577 5.320 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.933 3.752 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.271 3.095 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.672 4.415 -8.718 1.00 0.00 H new ATOM 533 N VAL A 61 4.633 1.377 -6.990 1.00 0.00 N ATOM 534 CA VAL A 61 4.259 0.007 -6.683 1.00 0.00 C ATOM 535 C VAL A 61 5.566 -0.758 -6.549 1.00 0.00 C ATOM 536 O VAL A 61 5.992 -1.503 -7.434 1.00 0.00 O ATOM 537 CB VAL A 61 3.348 -0.562 -7.809 1.00 0.00 C ATOM 538 CG1 VAL A 61 2.643 -1.823 -7.344 1.00 0.00 C ATOM 539 CG2 VAL A 61 2.253 0.367 -8.362 1.00 0.00 C ATOM 0 H VAL A 61 5.524 1.434 -7.483 1.00 0.00 H new ATOM 0 HA VAL A 61 3.681 -0.074 -5.762 1.00 0.00 H new ATOM 0 HB VAL A 61 4.060 -0.729 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.011 -2.204 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.384 -2.576 -7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.027 -1.596 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.693 -0.153 -9.139 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.577 0.652 -7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.713 1.261 -8.783 1.00 0.00 H new ATOM 549 N LYS A 62 6.281 -0.455 -5.472 1.00 0.00 N ATOM 550 CA LYS A 62 7.558 -1.087 -5.143 1.00 0.00 C ATOM 551 C LYS A 62 7.240 -2.482 -4.615 1.00 0.00 C ATOM 552 O LYS A 62 6.474 -2.598 -3.667 1.00 0.00 O ATOM 553 CB LYS A 62 8.294 -0.228 -4.102 1.00 0.00 C ATOM 554 CG LYS A 62 8.302 1.267 -4.496 1.00 0.00 C ATOM 555 CD LYS A 62 9.214 2.145 -3.632 1.00 0.00 C ATOM 556 CE LYS A 62 10.688 2.097 -4.052 1.00 0.00 C ATOM 557 NZ LYS A 62 10.902 2.652 -5.414 1.00 0.00 N ATOM 0 H LYS A 62 5.988 0.246 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 62 8.213 -1.170 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.816 -0.345 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.320 -0.582 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.614 1.354 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.284 1.652 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.864 3.176 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.130 1.829 -2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.287 2.658 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.039 1.065 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.810 3.158 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.914 1.877 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.131 3.311 -5.645 1.00 0.00 H new ATOM 571 N ILE A 63 7.759 -3.535 -5.230 1.00 0.00 N ATOM 572 CA ILE A 63 7.410 -4.930 -4.903 1.00 0.00 C ATOM 573 C ILE A 63 8.672 -5.774 -4.760 1.00 0.00 C ATOM 574 O ILE A 63 9.568 -5.778 -5.608 1.00 0.00 O ATOM 575 CB ILE A 63 6.429 -5.570 -5.912 1.00 0.00 C ATOM 576 CG1 ILE A 63 5.216 -4.645 -6.106 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.974 -6.961 -5.413 1.00 0.00 C ATOM 578 CD1 ILE A 63 4.094 -5.243 -6.943 1.00 0.00 C ATOM 0 H ILE A 63 8.444 -3.455 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 63 6.885 -4.904 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 63 6.934 -5.701 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.819 -4.377 -5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.551 -3.721 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.284 -7.398 -6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.843 -7.610 -5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.474 -6.857 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.280 -4.523 -7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.471 -5.484 -7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.727 -6.151 -6.464 1.00 0.00 H new ATOM 590 N LEU A 64 8.702 -6.476 -3.635 1.00 0.00 N ATOM 591 CA LEU A 64 9.776 -7.300 -3.101 1.00 0.00 C ATOM 592 C LEU A 64 9.210 -8.717 -2.877 1.00 0.00 C ATOM 593 O LEU A 64 7.998 -8.922 -2.993 1.00 0.00 O ATOM 594 CB LEU A 64 10.261 -6.645 -1.796 1.00 0.00 C ATOM 595 CG LEU A 64 10.961 -5.271 -1.905 1.00 0.00 C ATOM 596 CD1 LEU A 64 10.167 -4.103 -2.510 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.473 -4.869 -0.536 1.00 0.00 C ATOM 0 H LEU A 64 7.894 -6.482 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 64 10.628 -7.379 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.401 -6.533 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.949 -7.336 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 64 11.754 -5.442 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.788 -3.207 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.873 -4.352 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.276 -3.920 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.969 -3.901 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.637 -4.801 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.182 -5.616 -0.179 1.00 0.00 H new ATOM 609 N ASN A 65 10.075 -9.678 -2.530 1.00 0.00 N ATOM 610 CA ASN A 65 9.803 -11.129 -2.487 1.00 0.00 C ATOM 611 C ASN A 65 8.338 -11.514 -2.172 1.00 0.00 C ATOM 612 O ASN A 65 7.682 -12.134 -3.007 1.00 0.00 O ATOM 613 CB ASN A 65 10.807 -11.788 -1.517 1.00 0.00 C ATOM 614 CG ASN A 65 12.245 -11.586 -1.971 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.724 -12.213 -2.901 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.962 -10.669 -1.359 1.00 0.00 N ATOM 0 H ASN A 65 11.033 -9.459 -2.257 1.00 0.00 H new ATOM 0 HA ASN A 65 9.944 -11.515 -3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.678 -11.368 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.595 -12.855 -1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.918 -10.483 -1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.562 -10.144 -0.581 1.00 0.00 H new ATOM 623 N GLY A 66 7.815 -11.074 -1.019 1.00 0.00 N ATOM 624 CA GLY A 66 6.396 -11.130 -0.636 1.00 0.00 C ATOM 625 C GLY A 66 5.904 -9.851 0.049 1.00 0.00 C ATOM 626 O GLY A 66 5.149 -9.925 1.022 1.00 0.00 O ATOM 0 H GLY A 66 8.395 -10.650 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.793 -11.313 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.240 -11.976 0.034 1.00 0.00 H new ATOM 630 N PHE A 67 6.353 -8.679 -0.409 1.00 0.00 N ATOM 631 CA PHE A 67 5.999 -7.369 0.153 1.00 0.00 C ATOM 632 C PHE A 67 5.745 -6.341 -0.948 1.00 0.00 C ATOM 633 O PHE A 67 6.329 -6.412 -2.028 1.00 0.00 O ATOM 634 CB PHE A 67 7.128 -6.837 1.066 1.00 0.00 C ATOM 635 CG PHE A 67 7.786 -7.840 1.994 1.00 0.00 C ATOM 636 CD1 PHE A 67 8.821 -8.667 1.519 1.00 0.00 C ATOM 637 CD2 PHE A 67 7.381 -7.936 3.339 1.00 0.00 C ATOM 638 CE1 PHE A 67 9.398 -9.632 2.362 1.00 0.00 C ATOM 639 CE2 PHE A 67 7.964 -8.890 4.192 1.00 0.00 C ATOM 640 CZ PHE A 67 8.965 -9.748 3.700 1.00 0.00 C ATOM 0 H PHE A 67 6.990 -8.612 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 67 5.088 -7.511 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.901 -6.402 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.721 -6.028 1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.173 -8.560 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.618 -7.273 3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.172 -10.284 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.645 -8.964 5.221 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.402 -10.495 4.346 1.00 0.00 H new ATOM 650 N ALA A 68 4.930 -5.341 -0.644 1.00 0.00 N ATOM 651 CA ALA A 68 4.567 -4.234 -1.513 1.00 0.00 C ATOM 652 C ALA A 68 4.583 -2.926 -0.721 1.00 0.00 C ATOM 653 O ALA A 68 4.163 -2.852 0.425 1.00 0.00 O ATOM 654 CB ALA A 68 3.202 -4.527 -2.131 1.00 0.00 C ATOM 0 H ALA A 68 4.479 -5.278 0.269 1.00 0.00 H new ATOM 0 HA ALA A 68 5.288 -4.122 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.915 -3.705 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.255 -5.450 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.460 -4.636 -1.340 1.00 0.00 H new ATOM 660 N PHE A 69 5.066 -1.888 -1.396 1.00 0.00 N ATOM 661 CA PHE A 69 5.149 -0.522 -0.915 1.00 0.00 C ATOM 662 C PHE A 69 4.629 0.337 -2.043 1.00 0.00 C ATOM 663 O PHE A 69 5.351 0.846 -2.907 1.00 0.00 O ATOM 664 CB PHE A 69 6.540 -0.125 -0.400 1.00 0.00 C ATOM 665 CG PHE A 69 7.255 -1.236 0.333 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.809 -2.297 -0.390 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.290 -1.263 1.737 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.344 -3.404 0.265 1.00 0.00 C ATOM 669 CE2 PHE A 69 7.907 -2.343 2.408 1.00 0.00 C ATOM 670 CZ PHE A 69 8.446 -3.413 1.664 1.00 0.00 C ATOM 0 H PHE A 69 5.429 -1.987 -2.344 1.00 0.00 H new ATOM 0 HA PHE A 69 4.542 -0.384 -0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.152 0.195 -1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.440 0.732 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.822 -2.258 -1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.845 -0.458 2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.681 -4.257 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.966 -2.349 3.486 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.934 -4.234 2.168 1.00 0.00 H new ATOM 680 N VAL A 70 3.306 0.352 -2.094 1.00 0.00 N ATOM 681 CA VAL A 70 2.590 1.209 -3.027 1.00 0.00 C ATOM 682 C VAL A 70 2.773 2.640 -2.536 1.00 0.00 C ATOM 683 O VAL A 70 3.114 2.889 -1.376 1.00 0.00 O ATOM 684 CB VAL A 70 1.150 0.715 -3.264 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.606 0.972 -4.661 1.00 0.00 C ATOM 686 CG2 VAL A 70 1.122 -0.802 -3.320 1.00 0.00 C ATOM 0 H VAL A 70 2.706 -0.220 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 70 2.993 1.172 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 70 0.597 1.219 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.412 0.590 -4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.606 2.044 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.234 0.467 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.100 -1.141 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.757 -1.148 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.489 -1.208 -2.377 1.00 0.00 H new ATOM 696 N GLU A 71 2.596 3.604 -3.411 1.00 0.00 N ATOM 697 CA GLU A 71 2.994 4.979 -3.156 1.00 0.00 C ATOM 698 C GLU A 71 2.176 5.900 -4.045 1.00 0.00 C ATOM 699 O GLU A 71 1.820 5.544 -5.179 1.00 0.00 O ATOM 700 CB GLU A 71 4.487 5.078 -3.510 1.00 0.00 C ATOM 701 CG GLU A 71 5.125 6.406 -3.090 1.00 0.00 C ATOM 702 CD GLU A 71 6.662 6.410 -3.181 1.00 0.00 C ATOM 703 OE1 GLU A 71 7.332 5.554 -2.560 1.00 0.00 O ATOM 704 OE2 GLU A 71 7.203 7.326 -3.846 1.00 0.00 O ATOM 0 H GLU A 71 2.170 3.460 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 71 2.828 5.267 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.022 4.259 -3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.607 4.950 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.730 7.204 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.830 6.633 -2.066 1.00 0.00 H new ATOM 711 N PHE A 72 1.945 7.109 -3.550 1.00 0.00 N ATOM 712 CA PHE A 72 1.257 8.178 -4.260 1.00 0.00 C ATOM 713 C PHE A 72 2.050 9.486 -4.163 1.00 0.00 C ATOM 714 O PHE A 72 2.905 9.650 -3.290 1.00 0.00 O ATOM 715 CB PHE A 72 -0.166 8.298 -3.708 1.00 0.00 C ATOM 716 CG PHE A 72 -0.962 7.005 -3.579 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.245 6.201 -4.704 1.00 0.00 C ATOM 718 CD2 PHE A 72 -1.480 6.638 -2.321 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.019 5.032 -4.557 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.299 5.506 -2.199 1.00 0.00 C ATOM 721 CZ PHE A 72 -2.546 4.689 -3.305 1.00 0.00 C ATOM 0 H PHE A 72 2.241 7.381 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 72 1.187 7.948 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.111 8.763 -2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.724 8.978 -4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.869 6.481 -5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.246 7.230 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.206 4.399 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.742 5.264 -1.244 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.142 3.795 -3.195 1.00 0.00 H new ATOM 731 N GLU A 73 1.787 10.423 -5.076 1.00 0.00 N ATOM 732 CA GLU A 73 2.410 11.757 -5.047 1.00 0.00 C ATOM 733 C GLU A 73 1.555 12.792 -4.277 1.00 0.00 C ATOM 734 O GLU A 73 1.983 13.932 -4.096 1.00 0.00 O ATOM 735 CB GLU A 73 2.786 12.223 -6.463 1.00 0.00 C ATOM 736 CG GLU A 73 1.590 12.376 -7.415 1.00 0.00 C ATOM 737 CD GLU A 73 2.034 12.826 -8.823 1.00 0.00 C ATOM 738 OE1 GLU A 73 2.726 12.053 -9.532 1.00 0.00 O ATOM 739 OE2 GLU A 73 1.681 13.954 -9.241 1.00 0.00 O ATOM 0 H GLU A 73 1.141 10.285 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 73 3.339 11.673 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.305 13.179 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.489 11.510 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.059 11.427 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.889 13.103 -7.005 1.00 0.00 H new ATOM 746 N GLU A 74 0.362 12.402 -3.808 1.00 0.00 N ATOM 747 CA GLU A 74 -0.551 13.238 -3.014 1.00 0.00 C ATOM 748 C GLU A 74 -1.227 12.444 -1.874 1.00 0.00 C ATOM 749 O GLU A 74 -1.211 11.209 -1.849 1.00 0.00 O ATOM 750 CB GLU A 74 -1.565 13.948 -3.937 1.00 0.00 C ATOM 751 CG GLU A 74 -2.152 13.115 -5.095 1.00 0.00 C ATOM 752 CD GLU A 74 -2.813 11.811 -4.628 1.00 0.00 C ATOM 753 OE1 GLU A 74 -3.706 11.868 -3.745 1.00 0.00 O ATOM 754 OE2 GLU A 74 -2.441 10.734 -5.144 1.00 0.00 O ATOM 0 H GLU A 74 -0.007 11.466 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 74 0.037 14.011 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.391 14.306 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.080 14.827 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.887 13.716 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.358 12.879 -5.803 1.00 0.00 H new ATOM 761 N ALA A 75 -1.793 13.158 -0.894 1.00 0.00 N ATOM 762 CA ALA A 75 -2.284 12.584 0.354 1.00 0.00 C ATOM 763 C ALA A 75 -3.752 12.122 0.295 1.00 0.00 C ATOM 764 O ALA A 75 -4.284 11.628 1.287 1.00 0.00 O ATOM 765 CB ALA A 75 -2.013 13.593 1.484 1.00 0.00 C ATOM 0 H ALA A 75 -1.923 14.168 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.741 11.660 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.372 13.186 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.942 13.782 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.533 14.527 1.270 1.00 0.00 H new ATOM 771 N GLU A 76 -4.414 12.245 -0.849 1.00 0.00 N ATOM 772 CA GLU A 76 -5.823 11.886 -1.035 1.00 0.00 C ATOM 773 C GLU A 76 -6.014 10.425 -1.417 1.00 0.00 C ATOM 774 O GLU A 76 -6.864 9.754 -0.832 1.00 0.00 O ATOM 775 CB GLU A 76 -6.441 12.790 -2.105 1.00 0.00 C ATOM 776 CG GLU A 76 -7.226 13.905 -1.422 1.00 0.00 C ATOM 777 CD GLU A 76 -8.574 13.367 -0.889 1.00 0.00 C ATOM 778 OE1 GLU A 76 -9.330 12.740 -1.680 1.00 0.00 O ATOM 779 OE2 GLU A 76 -8.875 13.538 0.306 1.00 0.00 O ATOM 0 H GLU A 76 -3.978 12.606 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.325 12.031 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.660 13.212 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.098 12.210 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.642 14.319 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.404 14.717 -2.127 1.00 0.00 H new ATOM 786 N SER A 77 -5.225 9.917 -2.371 1.00 0.00 N ATOM 787 CA SER A 77 -5.162 8.480 -2.644 1.00 0.00 C ATOM 788 C SER A 77 -4.680 7.734 -1.402 1.00 0.00 C ATOM 789 O SER A 77 -5.198 6.669 -1.089 1.00 0.00 O ATOM 790 CB SER A 77 -4.257 8.154 -3.817 1.00 0.00 C ATOM 791 OG SER A 77 -4.497 6.818 -4.210 1.00 0.00 O ATOM 0 H SER A 77 -4.621 10.483 -2.967 1.00 0.00 H new ATOM 0 HA SER A 77 -6.170 8.158 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.452 8.834 -4.646 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.212 8.285 -3.537 1.00 0.00 H new ATOM 0 HG SER A 77 -3.679 6.291 -4.094 1.00 0.00 H new ATOM 797 N ALA A 78 -3.757 8.320 -0.636 1.00 0.00 N ATOM 798 CA ALA A 78 -3.309 7.746 0.622 1.00 0.00 C ATOM 799 C ALA A 78 -4.428 7.716 1.669 1.00 0.00 C ATOM 800 O ALA A 78 -4.750 6.636 2.163 1.00 0.00 O ATOM 801 CB ALA A 78 -2.081 8.511 1.104 1.00 0.00 C ATOM 0 H ALA A 78 -3.304 9.202 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.032 6.704 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.736 8.088 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.288 8.432 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.340 9.560 1.249 1.00 0.00 H new ATOM 807 N ALA A 79 -5.067 8.857 1.965 1.00 0.00 N ATOM 808 CA ALA A 79 -6.184 8.946 2.914 1.00 0.00 C ATOM 809 C ALA A 79 -7.310 7.961 2.573 1.00 0.00 C ATOM 810 O ALA A 79 -7.763 7.212 3.449 1.00 0.00 O ATOM 811 CB ALA A 79 -6.695 10.391 2.964 1.00 0.00 C ATOM 0 H ALA A 79 -4.819 9.754 1.547 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.822 8.663 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.524 10.459 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.890 11.051 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.035 10.691 1.973 1.00 0.00 H new ATOM 817 N LYS A 80 -7.725 7.897 1.297 1.00 0.00 N ATOM 818 CA LYS A 80 -8.732 6.908 0.911 1.00 0.00 C ATOM 819 C LYS A 80 -8.207 5.485 0.962 1.00 0.00 C ATOM 820 O LYS A 80 -8.911 4.639 1.485 1.00 0.00 O ATOM 821 CB LYS A 80 -9.403 7.228 -0.427 1.00 0.00 C ATOM 822 CG LYS A 80 -8.541 6.954 -1.666 1.00 0.00 C ATOM 823 CD LYS A 80 -9.172 7.478 -2.980 1.00 0.00 C ATOM 824 CE LYS A 80 -8.870 8.934 -3.390 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.286 9.933 -2.365 1.00 0.00 N ATOM 0 H LYS A 80 -7.391 8.497 0.543 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.514 6.977 1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.320 6.645 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.692 8.279 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.564 7.418 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.375 5.880 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.846 6.827 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.254 7.370 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.801 9.038 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.379 9.153 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.362 10.872 -2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.209 9.661 -1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.578 9.964 -1.603 1.00 0.00 H new ATOM 839 N ALA A 81 -6.983 5.215 0.510 1.00 0.00 N ATOM 840 CA ALA A 81 -6.402 3.875 0.574 1.00 0.00 C ATOM 841 C ALA A 81 -6.420 3.357 2.025 1.00 0.00 C ATOM 842 O ALA A 81 -6.895 2.254 2.294 1.00 0.00 O ATOM 843 CB ALA A 81 -4.980 3.864 0.002 1.00 0.00 C ATOM 0 H ALA A 81 -6.370 5.914 0.092 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.007 3.206 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.572 2.855 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.004 4.184 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.352 4.545 0.576 1.00 0.00 H new ATOM 849 N ILE A 82 -5.989 4.194 2.982 1.00 0.00 N ATOM 850 CA ILE A 82 -6.090 3.928 4.422 1.00 0.00 C ATOM 851 C ILE A 82 -7.525 3.550 4.803 1.00 0.00 C ATOM 852 O ILE A 82 -7.781 2.439 5.267 1.00 0.00 O ATOM 853 CB ILE A 82 -5.595 5.125 5.271 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.085 5.401 5.115 1.00 0.00 C ATOM 855 CG2 ILE A 82 -5.875 4.938 6.774 1.00 0.00 C ATOM 856 CD1 ILE A 82 -3.798 6.896 5.228 1.00 0.00 C ATOM 0 H ILE A 82 -5.553 5.091 2.770 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.436 3.084 4.642 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.161 5.973 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.530 4.860 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.740 5.031 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.508 5.805 7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.948 4.835 6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.367 4.042 7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.728 7.071 5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.337 7.430 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.124 7.256 6.204 1.00 0.00 H new ATOM 868 N GLU A 83 -8.488 4.438 4.561 1.00 0.00 N ATOM 869 CA GLU A 83 -9.879 4.175 4.956 1.00 0.00 C ATOM 870 C GLU A 83 -10.509 2.969 4.212 1.00 0.00 C ATOM 871 O GLU A 83 -11.372 2.286 4.762 1.00 0.00 O ATOM 872 CB GLU A 83 -10.698 5.463 4.800 1.00 0.00 C ATOM 873 CG GLU A 83 -10.250 6.575 5.767 1.00 0.00 C ATOM 874 CD GLU A 83 -10.527 6.230 7.241 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.681 6.400 7.706 1.00 0.00 O ATOM 876 OE2 GLU A 83 -9.592 5.799 7.963 1.00 0.00 O ATOM 0 H GLU A 83 -8.339 5.335 4.100 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.887 3.878 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.610 5.822 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.751 5.241 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.183 6.757 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.765 7.501 5.512 1.00 0.00 H new ATOM 883 N GLU A 84 -10.028 2.636 3.006 1.00 0.00 N ATOM 884 CA GLU A 84 -10.512 1.548 2.138 1.00 0.00 C ATOM 885 C GLU A 84 -9.993 0.165 2.568 1.00 0.00 C ATOM 886 O GLU A 84 -10.737 -0.816 2.493 1.00 0.00 O ATOM 887 CB GLU A 84 -10.039 1.765 0.684 1.00 0.00 C ATOM 888 CG GLU A 84 -10.758 2.865 -0.116 1.00 0.00 C ATOM 889 CD GLU A 84 -12.047 2.354 -0.786 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.010 1.982 -0.076 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.119 2.338 -2.037 1.00 0.00 O ATOM 0 H GLU A 84 -9.250 3.144 2.586 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.599 1.570 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.974 1.998 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.150 0.824 0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.001 3.694 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.085 3.255 -0.879 1.00 0.00 H new ATOM 898 N VAL A 85 -8.726 0.070 2.997 1.00 0.00 N ATOM 899 CA VAL A 85 -8.034 -1.226 3.172 1.00 0.00 C ATOM 900 C VAL A 85 -6.968 -1.279 4.287 1.00 0.00 C ATOM 901 O VAL A 85 -6.482 -2.360 4.601 1.00 0.00 O ATOM 902 CB VAL A 85 -7.539 -1.694 1.779 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.508 -0.761 1.147 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.026 -3.133 1.735 1.00 0.00 C ATOM 0 H VAL A 85 -8.152 0.879 3.232 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.755 -1.944 3.563 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.449 -1.656 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.209 -1.154 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.944 0.230 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.634 -0.692 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.701 -3.373 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.186 -3.241 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.825 -3.813 2.030 1.00 0.00 H new ATOM 914 N HIS A 86 -6.651 -0.186 4.992 1.00 0.00 N ATOM 915 CA HIS A 86 -5.819 -0.259 6.210 1.00 0.00 C ATOM 916 C HIS A 86 -6.532 -1.001 7.347 1.00 0.00 C ATOM 917 O HIS A 86 -7.633 -0.621 7.756 1.00 0.00 O ATOM 918 CB HIS A 86 -5.436 1.128 6.743 1.00 0.00 C ATOM 919 CG HIS A 86 -4.443 1.094 7.884 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.107 1.393 7.781 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.687 0.795 9.193 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.548 1.259 8.999 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.477 0.890 9.900 1.00 0.00 N ATOM 0 H HIS A 86 -6.954 0.756 4.746 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.923 -0.799 5.906 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.017 1.717 5.927 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.339 1.641 7.075 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.621 1.669 6.928 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.646 0.531 9.613 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.504 1.424 9.221 1.00 0.00 H new ATOM 931 N GLY A 87 -5.891 -2.037 7.885 1.00 0.00 N ATOM 932 CA GLY A 87 -6.324 -2.721 9.114 1.00 0.00 C ATOM 933 C GLY A 87 -7.373 -3.795 8.830 1.00 0.00 C ATOM 934 O GLY A 87 -7.792 -4.531 9.726 1.00 0.00 O ATOM 0 H GLY A 87 -5.044 -2.434 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.461 -3.176 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.733 -1.990 9.811 1.00 0.00 H new ATOM 938 N LYS A 88 -7.771 -3.889 7.557 1.00 0.00 N ATOM 939 CA LYS A 88 -8.589 -4.934 6.975 1.00 0.00 C ATOM 940 C LYS A 88 -7.694 -6.125 6.664 1.00 0.00 C ATOM 941 O LYS A 88 -6.558 -5.958 6.223 1.00 0.00 O ATOM 942 CB LYS A 88 -9.193 -4.361 5.689 1.00 0.00 C ATOM 943 CG LYS A 88 -10.558 -3.685 5.910 1.00 0.00 C ATOM 944 CD LYS A 88 -10.556 -2.372 6.721 1.00 0.00 C ATOM 945 CE LYS A 88 -10.307 -1.151 5.831 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.199 0.106 6.615 1.00 0.00 N ATOM 0 H LYS A 88 -7.507 -3.185 6.868 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.382 -5.261 7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.501 -3.636 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.306 -5.163 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.999 -3.482 4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.212 -4.396 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.512 -2.260 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.787 -2.422 7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.390 -1.301 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.119 -1.058 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.353 0.921 5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.916 0.108 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.252 0.170 7.039 1.00 0.00 H new ATOM 960 N SER A 89 -8.211 -7.317 6.907 1.00 0.00 N ATOM 961 CA SER A 89 -7.460 -8.578 6.887 1.00 0.00 C ATOM 962 C SER A 89 -7.356 -9.178 5.477 1.00 0.00 C ATOM 963 O SER A 89 -8.246 -9.924 5.058 1.00 0.00 O ATOM 964 CB SER A 89 -8.053 -9.570 7.899 1.00 0.00 C ATOM 965 OG SER A 89 -9.459 -9.726 7.746 1.00 0.00 O ATOM 0 H SER A 89 -9.197 -7.447 7.132 1.00 0.00 H new ATOM 0 HA SER A 89 -6.436 -8.359 7.190 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.568 -10.539 7.781 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.836 -9.226 8.910 1.00 0.00 H new ATOM 0 HG SER A 89 -9.671 -9.873 6.801 1.00 0.00 H new ATOM 971 N PHE A 90 -6.285 -8.869 4.735 1.00 0.00 N ATOM 972 CA PHE A 90 -6.056 -9.525 3.443 1.00 0.00 C ATOM 973 C PHE A 90 -5.341 -10.879 3.602 1.00 0.00 C ATOM 974 O PHE A 90 -4.390 -11.000 4.373 1.00 0.00 O ATOM 975 CB PHE A 90 -5.354 -8.574 2.474 1.00 0.00 C ATOM 976 CG PHE A 90 -5.534 -9.018 1.035 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.823 -10.117 0.523 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.549 -8.424 0.254 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.137 -10.636 -0.743 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.852 -8.931 -1.015 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.153 -10.044 -1.510 1.00 0.00 C ATOM 0 H PHE A 90 -5.577 -8.184 5.000 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.024 -9.764 3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.752 -7.567 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.291 -8.529 2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.032 -10.564 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.094 -7.574 0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.598 -11.490 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.622 -8.467 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.397 -10.445 -2.482 1.00 0.00 H new ATOM 991 N ALA A 91 -5.793 -11.889 2.845 1.00 0.00 N ATOM 992 CA ALA A 91 -5.328 -13.287 2.785 1.00 0.00 C ATOM 993 C ALA A 91 -5.347 -14.080 4.118 1.00 0.00 C ATOM 994 O ALA A 91 -5.959 -15.149 4.200 1.00 0.00 O ATOM 995 CB ALA A 91 -3.947 -13.328 2.115 1.00 0.00 C ATOM 0 H ALA A 91 -6.566 -11.736 2.197 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.068 -13.818 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.596 -14.359 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.020 -12.922 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.243 -12.732 2.696 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.693 -13.561 5.157 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.513 -14.162 6.483 1.00 0.00 C ATOM 1003 C ASN A 92 -4.323 -13.116 7.605 1.00 0.00 C ATOM 1004 O ASN A 92 -4.386 -13.496 8.778 1.00 0.00 O ATOM 1005 CB ASN A 92 -3.344 -15.185 6.426 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.174 -14.797 5.521 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -2.181 -15.050 4.325 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.129 -14.182 6.025 1.00 0.00 N ATOM 0 H ASN A 92 -4.244 -12.648 5.092 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.432 -14.685 6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.965 -15.334 7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.739 -16.143 6.089 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.347 -13.927 5.421 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.099 -13.960 7.020 1.00 0.00 H new ATOM 1015 N GLN A 93 -4.099 -11.825 7.303 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.741 -10.788 8.295 1.00 0.00 C ATOM 1017 C GLN A 93 -3.882 -9.351 7.743 1.00 0.00 C ATOM 1018 O GLN A 93 -4.050 -9.158 6.535 1.00 0.00 O ATOM 1019 CB GLN A 93 -2.326 -11.082 8.847 1.00 0.00 C ATOM 1020 CG GLN A 93 -1.209 -11.197 7.802 1.00 0.00 C ATOM 1021 CD GLN A 93 -0.026 -12.004 8.331 1.00 0.00 C ATOM 1022 OE1 GLN A 93 -0.120 -13.205 8.546 1.00 0.00 O ATOM 1023 NE2 GLN A 93 1.129 -11.412 8.536 1.00 0.00 N ATOM 0 H GLN A 93 -4.162 -11.465 6.351 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.454 -10.835 9.118 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.060 -10.292 9.549 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.364 -12.013 9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.600 -11.671 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.872 -10.200 7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.227 -10.412 8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.927 -11.953 8.869 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.901 -8.314 8.598 1.00 0.00 N ATOM 1033 CA PRO A 94 -4.160 -6.954 8.144 1.00 0.00 C ATOM 1034 C PRO A 94 -2.975 -6.210 7.532 1.00 0.00 C ATOM 1035 O PRO A 94 -1.820 -6.324 7.941 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.708 -6.202 9.353 1.00 0.00 C ATOM 1037 CG PRO A 94 -4.071 -6.944 10.525 1.00 0.00 C ATOM 1038 CD PRO A 94 -4.072 -8.386 10.041 1.00 0.00 C ATOM 0 HA PRO A 94 -4.863 -7.009 7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.425 -5.149 9.338 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.797 -6.239 9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.062 -6.586 10.732 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.647 -6.824 11.443 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.266 -8.955 10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.005 -8.886 10.301 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.333 -5.387 6.548 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.493 -4.414 5.860 1.00 0.00 C ATOM 1048 C LEU A 95 -1.951 -3.303 6.784 1.00 0.00 C ATOM 1049 O LEU A 95 -2.554 -2.980 7.808 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.384 -3.754 4.790 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.697 -4.520 3.495 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.558 -5.324 2.889 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.898 -5.416 3.593 1.00 0.00 C ATOM 0 H LEU A 95 -4.287 -5.384 6.186 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.625 -4.933 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.335 -3.507 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.914 -2.812 4.508 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.900 -3.689 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.904 -5.817 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.730 -4.657 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.222 -6.075 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.054 -5.921 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.736 -6.158 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.778 -4.820 3.835 1.00 0.00 H new ATOM 1065 N GLU A 96 -0.896 -2.616 6.326 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.352 -1.381 6.920 1.00 0.00 C ATOM 1067 C GLU A 96 -0.260 -0.280 5.829 1.00 0.00 C ATOM 1068 O GLU A 96 0.754 0.373 5.589 1.00 0.00 O ATOM 1069 CB GLU A 96 0.979 -1.677 7.627 1.00 0.00 C ATOM 1070 CG GLU A 96 1.279 -0.632 8.708 1.00 0.00 C ATOM 1071 CD GLU A 96 2.782 -0.557 9.029 1.00 0.00 C ATOM 1072 OE1 GLU A 96 3.377 -1.625 9.323 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.369 0.554 8.993 1.00 0.00 O ATOM 0 H GLU A 96 -0.376 -2.914 5.500 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.018 -0.997 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.941 -2.669 8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.787 -1.689 6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.929 0.345 8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.726 -0.877 9.614 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.366 -0.128 5.105 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.612 0.854 4.029 1.00 0.00 C ATOM 1082 C VAL A 97 -1.565 2.240 4.663 1.00 0.00 C ATOM 1083 O VAL A 97 -2.538 2.603 5.323 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.021 0.593 3.479 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.581 1.638 2.513 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.064 -0.751 2.744 1.00 0.00 C ATOM 0 H VAL A 97 -2.178 -0.726 5.259 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.877 0.778 3.228 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.643 0.621 4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.581 1.341 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.631 2.605 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.931 1.713 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.069 -0.923 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.356 -0.735 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.798 -1.552 3.434 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.461 2.996 4.583 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.327 4.129 5.498 1.00 0.00 C ATOM 1098 C VAL A 98 0.649 5.221 5.027 1.00 0.00 C ATOM 1099 O VAL A 98 0.514 5.804 3.947 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.061 3.471 6.898 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.372 3.076 7.334 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.924 4.193 7.919 1.00 0.00 C ATOM 0 H VAL A 98 0.311 2.854 3.932 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.228 4.741 5.548 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.367 2.430 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.341 2.638 8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.779 2.349 6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.006 3.963 7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.762 3.758 8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.656 5.249 7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.974 4.090 7.645 1.00 0.00 H new ATOM 1112 N TYR A 99 1.642 5.494 5.854 1.00 0.00 N ATOM 1113 CA TYR A 99 2.840 6.280 5.650 1.00 0.00 C ATOM 1114 C TYR A 99 4.020 5.293 5.748 1.00 0.00 C ATOM 1115 O TYR A 99 4.737 5.257 6.747 1.00 0.00 O ATOM 1116 CB TYR A 99 2.859 7.380 6.730 1.00 0.00 C ATOM 1117 CG TYR A 99 1.556 8.149 6.918 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.723 8.445 5.824 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.140 8.507 8.220 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.513 9.088 6.011 1.00 0.00 C ATOM 1121 CE2 TYR A 99 -0.098 9.151 8.415 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.929 9.442 7.310 1.00 0.00 C ATOM 1123 OH TYR A 99 -2.128 10.056 7.506 1.00 0.00 O ATOM 0 H TYR A 99 1.621 5.121 6.803 1.00 0.00 H new ATOM 0 HA TYR A 99 2.893 6.782 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.130 6.923 7.682 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.646 8.092 6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.037 8.175 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.772 8.287 9.067 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.142 9.310 5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.413 9.423 9.412 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.255 10.227 8.463 1.00 0.00 H new ATOM 1133 N SER A 100 4.142 4.367 4.784 1.00 0.00 N ATOM 1134 CA SER A 100 5.261 3.412 4.756 1.00 0.00 C ATOM 1135 C SER A 100 6.592 4.157 4.871 1.00 0.00 C ATOM 1136 O SER A 100 6.817 5.127 4.141 1.00 0.00 O ATOM 1137 CB SER A 100 5.312 2.422 3.598 1.00 0.00 C ATOM 1138 OG SER A 100 6.323 1.477 3.914 1.00 0.00 O ATOM 0 H SER A 100 3.481 4.259 4.015 1.00 0.00 H new ATOM 0 HA SER A 100 5.075 2.778 5.623 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.349 1.929 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.538 2.933 2.662 1.00 0.00 H new ATOM 0 HG SER A 100 6.929 1.379 3.150 1.00 0.00 H new