USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 443 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 49 GLN : amide:sc= 0.177 K(o=0.5,f=-2.2!) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.321 USER MOD Set 2.1: A 39 ASN : amide:sc= 0.771 K(o=1.3,f=-5.5!) USER MOD Set 2.2: A 68 THR OG1 : rot 31:sc= 0.557 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -165:sc= -0.0314 (180deg=-0.326) USER MOD Single : A 6 THR OG1 : rot 91:sc= 0.899 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= 0.746 (180deg=0.335) USER MOD Single : A 13 ASN : amide:sc= -0.405 K(o=-0.4,f=-3.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -55:sc= 0.69 USER MOD Single : A 27 SER OG : rot 180:sc= -1.34 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.79! K(o=-3.8!,f=0.14) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0363 X(o=-0.036,f=-0.11) USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0154) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.232 K(o=-0.23,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 4 1.868 -6.212 7.135 1.00 49.53 N ATOM 37 CA LYS A 4 2.556 -5.042 6.601 1.00 50.07 C ATOM 38 C LYS A 4 3.330 -5.390 5.336 1.00 50.51 C ATOM 39 O LYS A 4 3.980 -6.433 5.260 1.00 49.49 O ATOM 40 CB LYS A 4 3.500 -4.451 7.649 1.00 49.82 C ATOM 41 CG LYS A 4 2.797 -3.836 8.852 1.00 49.82 C ATOM 42 CD LYS A 4 3.798 -3.256 9.840 1.00 49.82 C ATOM 43 CE LYS A 4 3.100 -2.683 11.065 1.00 50.21 C ATOM 44 NZ LYS A 4 4.067 -2.117 12.044 1.00 49.70 N ATOM 0 HA LYS A 4 1.801 -4.298 6.346 1.00 50.07 H new ATOM 0 HB2 LYS A 4 4.173 -5.235 7.998 1.00 49.82 H new ATOM 0 HB3 LYS A 4 4.118 -3.688 7.175 1.00 49.82 H new ATOM 0 HG2 LYS A 4 2.117 -3.052 8.517 1.00 49.82 H new ATOM 0 HG3 LYS A 4 2.190 -4.594 9.348 1.00 49.82 H new ATOM 0 HD2 LYS A 4 4.499 -4.032 10.148 1.00 49.82 H new ATOM 0 HD3 LYS A 4 4.381 -2.475 9.353 1.00 49.82 H new ATOM 0 HE2 LYS A 4 2.402 -1.906 10.754 1.00 50.21 H new ATOM 0 HE3 LYS A 4 2.513 -3.465 11.546 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 3.550 -1.738 12.863 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 4.717 -2.864 12.361 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 4.610 -1.353 11.593 1.00 49.70 H new ATOM 58 N MET A 5 3.258 -4.510 4.343 1.00 49.53 N ATOM 59 CA MET A 5 3.956 -4.718 3.081 1.00 50.07 C ATOM 60 C MET A 5 4.127 -3.408 2.322 1.00 50.51 C ATOM 61 O MET A 5 3.304 -2.501 2.439 1.00 49.49 O ATOM 62 CB MET A 5 3.203 -5.731 2.221 1.00 49.82 C ATOM 63 CG MET A 5 4.032 -6.352 1.107 1.00 49.86 C ATOM 64 SD MET A 5 3.083 -7.505 0.094 1.00 49.91 S ATOM 65 CE MET A 5 2.815 -8.837 1.260 1.00 49.78 C ATOM 0 H MET A 5 2.721 -3.644 4.389 1.00 49.53 H new ATOM 0 HA MET A 5 4.948 -5.109 3.306 1.00 50.07 H new ATOM 0 HB2 MET A 5 2.828 -6.527 2.864 1.00 49.82 H new ATOM 0 HB3 MET A 5 2.335 -5.241 1.781 1.00 49.82 H new ATOM 0 HG2 MET A 5 4.431 -5.561 0.472 1.00 49.86 H new ATOM 0 HG3 MET A 5 4.885 -6.873 1.542 1.00 49.86 H new ATOM 0 HE1 MET A 5 2.483 -9.727 0.726 1.00 49.78 H new ATOM 0 HE2 MET A 5 3.746 -9.054 1.785 1.00 49.78 H new ATOM 0 HE3 MET A 5 2.053 -8.542 1.981 1.00 49.78 H new ATOM 75 N THR A 6 5.202 -3.315 1.547 1.00 49.53 N ATOM 76 CA THR A 6 5.427 -2.162 0.684 1.00 50.07 C ATOM 77 C THR A 6 5.178 -2.511 -0.778 1.00 50.51 C ATOM 78 O THR A 6 5.124 -3.685 -1.145 1.00 49.49 O ATOM 79 CB THR A 6 6.858 -1.615 0.834 1.00 50.14 C ATOM 80 OG1 THR A 6 7.799 -2.599 0.384 1.00 49.34 O ATOM 81 CG2 THR A 6 7.148 -1.269 2.286 1.00 49.73 C ATOM 0 H THR A 6 5.932 -4.026 1.499 1.00 49.53 H new ATOM 0 HA THR A 6 4.720 -1.394 0.996 1.00 50.07 H new ATOM 0 HB THR A 6 6.950 -0.712 0.231 1.00 50.14 H new ATOM 0 HG1 THR A 6 7.975 -2.470 -0.571 1.00 49.34 H new ATOM 0 HG21 THR A 6 8.164 -0.884 2.372 1.00 49.73 H new ATOM 0 HG22 THR A 6 6.443 -0.511 2.627 1.00 49.73 H new ATOM 0 HG23 THR A 6 7.045 -2.163 2.901 1.00 49.73 H new ATOM 89 N GLY A 7 5.027 -1.485 -1.608 1.00 49.53 N ATOM 90 CA GLY A 7 4.780 -1.681 -3.031 1.00 49.98 C ATOM 91 C GLY A 7 4.851 -0.362 -3.790 1.00 50.51 C ATOM 92 O GLY A 7 5.179 0.678 -3.217 1.00 49.49 O ATOM 0 H GLY A 7 5.071 -0.508 -1.319 1.00 49.53 H new ATOM 0 HA2 GLY A 7 5.514 -2.377 -3.437 1.00 49.98 H new ATOM 0 HA3 GLY A 7 3.798 -2.133 -3.173 1.00 49.98 H new ATOM 96 N ILE A 8 4.541 -0.410 -5.081 1.00 49.53 N ATOM 97 CA ILE A 8 4.561 0.784 -5.918 1.00 50.07 C ATOM 98 C ILE A 8 3.177 1.086 -6.480 1.00 50.51 C ATOM 99 O ILE A 8 2.504 0.200 -7.009 1.00 49.49 O ATOM 100 CB ILE A 8 5.557 0.639 -7.084 1.00 49.91 C ATOM 101 CG1 ILE A 8 6.980 0.454 -6.550 1.00 49.82 C ATOM 102 CG2 ILE A 8 5.483 1.851 -7.999 1.00 49.73 C ATOM 103 CD1 ILE A 8 7.981 0.047 -7.607 1.00 49.73 C ATOM 0 H ILE A 8 4.273 -1.264 -5.571 1.00 49.53 H new ATOM 0 HA ILE A 8 4.879 1.609 -5.281 1.00 50.07 H new ATOM 0 HB ILE A 8 5.288 -0.245 -7.662 1.00 49.91 H new ATOM 0 HG12 ILE A 8 7.310 1.386 -6.091 1.00 49.82 H new ATOM 0 HG13 ILE A 8 6.968 -0.302 -5.765 1.00 49.82 H new ATOM 0 HG21 ILE A 8 6.193 1.733 -8.818 1.00 49.73 H new ATOM 0 HG22 ILE A 8 4.475 1.941 -8.403 1.00 49.73 H new ATOM 0 HG23 ILE A 8 5.728 2.750 -7.433 1.00 49.73 H new ATOM 0 HD11 ILE A 8 8.965 -0.064 -7.152 1.00 49.73 H new ATOM 0 HD12 ILE A 8 7.677 -0.901 -8.050 1.00 49.73 H new ATOM 0 HD13 ILE A 8 8.024 0.813 -8.382 1.00 49.73 H new ATOM 115 N VAL A 9 2.758 2.341 -6.363 1.00 49.53 N ATOM 116 CA VAL A 9 1.449 2.760 -6.850 1.00 50.07 C ATOM 117 C VAL A 9 1.315 2.518 -8.348 1.00 50.51 C ATOM 118 O VAL A 9 2.062 3.081 -9.147 1.00 49.49 O ATOM 119 CB VAL A 9 1.186 4.249 -6.556 1.00 49.91 C ATOM 120 CG1 VAL A 9 -0.165 4.671 -7.113 1.00 49.73 C ATOM 121 CG2 VAL A 9 1.251 4.515 -5.059 1.00 49.73 C ATOM 0 H VAL A 9 3.307 3.087 -5.935 1.00 49.53 H new ATOM 0 HA VAL A 9 0.710 2.158 -6.320 1.00 50.07 H new ATOM 0 HB VAL A 9 1.960 4.839 -7.046 1.00 49.91 H new ATOM 0 HG11 VAL A 9 -0.335 5.726 -6.896 1.00 49.73 H new ATOM 0 HG12 VAL A 9 -0.178 4.515 -8.192 1.00 49.73 H new ATOM 0 HG13 VAL A 9 -0.952 4.075 -6.651 1.00 49.73 H new ATOM 0 HG21 VAL A 9 1.063 5.572 -4.869 1.00 49.73 H new ATOM 0 HG22 VAL A 9 0.497 3.915 -4.550 1.00 49.73 H new ATOM 0 HG23 VAL A 9 2.240 4.249 -4.685 1.00 49.73 H new ATOM 131 N LYS A 10 0.359 1.675 -8.723 1.00 49.53 N ATOM 132 CA LYS A 10 0.188 1.279 -10.116 1.00 50.07 C ATOM 133 C LYS A 10 -0.718 2.254 -10.858 1.00 50.51 C ATOM 134 O LYS A 10 -0.399 2.696 -11.961 1.00 49.49 O ATOM 135 CB LYS A 10 -0.380 -0.138 -10.205 1.00 49.82 C ATOM 136 CG LYS A 10 -0.654 -0.618 -11.624 1.00 49.82 C ATOM 137 CD LYS A 10 -1.093 -2.075 -11.640 1.00 49.82 C ATOM 138 CE LYS A 10 -1.391 -2.548 -13.056 1.00 50.21 C ATOM 139 NZ LYS A 10 -1.535 -4.027 -13.129 1.00 49.70 N ATOM 0 H LYS A 10 -0.311 1.252 -8.080 1.00 49.53 H new ATOM 0 HA LYS A 10 1.169 1.297 -10.590 1.00 50.07 H new ATOM 0 HB2 LYS A 10 0.319 -0.827 -9.730 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -1.308 -0.181 -9.634 1.00 49.82 H new ATOM 0 HG2 LYS A 10 -1.428 0.002 -12.077 1.00 49.82 H new ATOM 0 HG3 LYS A 10 0.244 -0.500 -12.230 1.00 49.82 H new ATOM 0 HD2 LYS A 10 -0.312 -2.697 -11.203 1.00 49.82 H new ATOM 0 HD3 LYS A 10 -1.981 -2.196 -11.019 1.00 49.82 H new ATOM 0 HE2 LYS A 10 -2.307 -2.076 -13.411 1.00 50.21 H new ATOM 0 HE3 LYS A 10 -0.589 -2.228 -13.722 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 -2.155 -4.277 -13.926 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 -0.600 -4.460 -13.269 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 -1.951 -4.379 -12.243 1.00 49.70 H new ATOM 153 N TRP A 11 -1.850 2.585 -10.246 1.00 49.53 N ATOM 154 CA TRP A 11 -2.770 3.563 -10.814 1.00 50.07 C ATOM 155 C TRP A 11 -3.779 4.038 -9.776 1.00 50.51 C ATOM 156 O TRP A 11 -4.352 3.234 -9.040 1.00 49.49 O ATOM 157 CB TRP A 11 -3.499 2.971 -12.021 1.00 49.82 C ATOM 158 CG TRP A 11 -4.331 3.971 -12.767 1.00 49.97 C ATOM 159 CD1 TRP A 11 -5.679 4.140 -12.675 1.00 50.03 C ATOM 160 CD2 TRP A 11 -3.868 4.938 -13.718 1.00 49.98 C ATOM 161 NE1 TRP A 11 -6.087 5.152 -13.509 1.00 49.39 N ATOM 162 CE2 TRP A 11 -4.991 5.659 -14.160 1.00 50.13 C ATOM 163 CE3 TRP A 11 -2.609 5.264 -14.237 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -4.899 6.679 -15.093 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -2.517 6.288 -15.171 1.00 49.88 C ATOM 166 CH2 TRP A 11 -3.629 6.976 -15.587 1.00 49.88 C ATOM 0 H TRP A 11 -2.152 2.190 -9.356 1.00 49.53 H new ATOM 0 HA TRP A 11 -2.184 4.423 -11.139 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -2.766 2.540 -12.703 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -4.140 2.156 -11.685 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -6.333 3.562 -12.038 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -7.048 5.474 -13.625 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -1.727 4.730 -13.917 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -5.773 7.221 -15.423 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -1.551 6.548 -15.578 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -3.518 7.767 -16.314 1.00 49.88 H new ATOM 177 N PHE A 12 -3.991 5.348 -9.720 1.00 49.53 N ATOM 178 CA PHE A 12 -4.926 5.933 -8.766 1.00 50.07 C ATOM 179 C PHE A 12 -5.743 7.046 -9.408 1.00 50.51 C ATOM 180 O PHE A 12 -5.207 8.090 -9.778 1.00 49.49 O ATOM 181 CB PHE A 12 -4.176 6.469 -7.545 1.00 49.82 C ATOM 182 CG PHE A 12 -5.070 6.808 -6.386 1.00 50.00 C ATOM 183 CD1 PHE A 12 -5.726 8.029 -6.331 1.00 49.88 C ATOM 184 CD2 PHE A 12 -5.258 5.907 -5.349 1.00 49.88 C ATOM 185 CE1 PHE A 12 -6.547 8.343 -5.266 1.00 49.88 C ATOM 186 CE2 PHE A 12 -6.080 6.218 -4.283 1.00 49.88 C ATOM 187 CZ PHE A 12 -6.725 7.436 -4.241 1.00 49.88 C ATOM 0 H PHE A 12 -3.527 6.026 -10.325 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.612 5.149 -8.446 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.446 5.726 -7.224 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -3.618 7.360 -7.835 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -5.593 8.743 -7.131 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -4.756 4.951 -5.375 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -7.050 9.298 -5.235 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -6.217 5.507 -3.482 1.00 49.88 H new ATOM 0 HZ PHE A 12 -7.368 7.680 -3.408 1.00 49.88 H new ATOM 197 N ASN A 13 -7.046 6.817 -9.537 1.00 49.53 N ATOM 198 CA ASN A 13 -7.943 7.803 -10.128 1.00 50.07 C ATOM 199 C ASN A 13 -8.565 8.692 -9.059 1.00 50.51 C ATOM 200 O ASN A 13 -9.523 8.301 -8.393 1.00 49.49 O ATOM 201 CB ASN A 13 -9.027 7.141 -10.957 1.00 49.82 C ATOM 202 CG ASN A 13 -9.915 8.115 -11.682 1.00 50.55 C ATOM 203 OD1 ASN A 13 -9.566 9.285 -11.866 1.00 49.45 O ATOM 204 ND2 ASN A 13 -11.094 7.659 -12.021 1.00 49.38 N ATOM 0 H ASN A 13 -7.505 5.956 -9.240 1.00 49.53 H new ATOM 0 HA ASN A 13 -7.343 8.428 -10.790 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -8.561 6.477 -11.685 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -9.641 6.519 -10.306 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -11.774 8.280 -12.459 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -11.333 6.683 -11.847 1.00 49.38 H new ATOM 211 N ALA A 14 -8.014 9.891 -8.899 1.00 49.53 N ATOM 212 CA ALA A 14 -8.474 10.814 -7.868 1.00 50.07 C ATOM 213 C ALA A 14 -9.946 11.157 -8.051 1.00 50.51 C ATOM 214 O ALA A 14 -10.642 11.480 -7.090 1.00 49.49 O ATOM 215 CB ALA A 14 -7.626 12.078 -7.873 1.00 49.73 C ATOM 0 H ALA A 14 -7.248 10.246 -9.471 1.00 49.53 H new ATOM 0 HA ALA A 14 -8.364 10.322 -6.902 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -7.981 12.757 -7.098 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -6.585 11.819 -7.679 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -7.704 12.564 -8.845 1.00 49.73 H new ATOM 221 N ASP A 15 -10.415 11.083 -9.293 1.00 49.53 N ATOM 222 CA ASP A 15 -11.806 11.388 -9.605 1.00 50.07 C ATOM 223 C ASP A 15 -12.755 10.482 -8.831 1.00 50.51 C ATOM 224 O ASP A 15 -13.876 10.874 -8.507 1.00 49.49 O ATOM 225 CB ASP A 15 -12.060 11.254 -11.109 1.00 49.72 C ATOM 226 CG ASP A 15 -11.450 12.365 -11.952 1.00 50.62 C ATOM 227 OD1 ASP A 15 -11.043 13.353 -11.390 1.00 49.24 O ATOM 228 OD2 ASP A 15 -11.254 12.155 -13.124 1.00 49.24 O ATOM 0 H ASP A 15 -9.851 10.814 -10.100 1.00 49.53 H new ATOM 0 HA ASP A 15 -11.997 12.418 -9.304 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -11.663 10.297 -11.448 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -13.136 11.232 -11.283 1.00 49.72 H new ATOM 233 N LYS A 16 -12.300 9.269 -8.537 1.00 49.53 N ATOM 234 CA LYS A 16 -13.101 8.312 -7.783 1.00 50.07 C ATOM 235 C LYS A 16 -12.489 8.037 -6.416 1.00 50.51 C ATOM 236 O LYS A 16 -13.155 7.516 -5.521 1.00 49.49 O ATOM 237 CB LYS A 16 -13.249 7.006 -8.565 1.00 49.82 C ATOM 238 CG LYS A 16 -13.998 7.143 -9.885 1.00 49.82 C ATOM 239 CD LYS A 16 -14.109 5.805 -10.600 1.00 49.82 C ATOM 240 CE LYS A 16 -14.834 5.947 -11.930 1.00 50.21 C ATOM 241 NZ LYS A 16 -14.898 4.656 -12.668 1.00 49.70 N ATOM 0 H LYS A 16 -11.379 8.925 -8.810 1.00 49.53 H new ATOM 0 HA LYS A 16 -14.088 8.749 -7.632 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -12.257 6.602 -8.765 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -13.769 6.280 -7.940 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -14.995 7.542 -9.700 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -13.482 7.858 -10.526 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -13.113 5.397 -10.768 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -14.642 5.095 -9.967 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -15.845 6.316 -11.755 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -14.325 6.691 -12.543 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -15.399 4.795 -13.568 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -13.933 4.316 -12.858 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -15.406 3.953 -12.094 1.00 49.70 H new ATOM 255 N GLY A 17 -11.218 8.391 -6.261 1.00 49.53 N ATOM 256 CA GLY A 17 -10.499 8.138 -5.017 1.00 49.98 C ATOM 257 C GLY A 17 -10.080 6.677 -4.910 1.00 50.51 C ATOM 258 O GLY A 17 -9.699 6.207 -3.838 1.00 49.49 O ATOM 0 H GLY A 17 -10.664 8.854 -6.981 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -9.617 8.777 -4.967 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -11.131 8.401 -4.169 1.00 49.98 H new ATOM 262 N PHE A 18 -10.153 5.963 -6.028 1.00 49.53 N ATOM 263 CA PHE A 18 -9.823 4.543 -6.052 1.00 50.07 C ATOM 264 C PHE A 18 -8.598 4.276 -6.918 1.00 50.51 C ATOM 265 O PHE A 18 -8.411 4.909 -7.957 1.00 49.49 O ATOM 266 CB PHE A 18 -11.014 3.727 -6.560 1.00 49.82 C ATOM 267 CG PHE A 18 -12.219 3.793 -5.666 1.00 50.00 C ATOM 268 CD1 PHE A 18 -12.080 4.026 -4.306 1.00 49.88 C ATOM 269 CD2 PHE A 18 -13.495 3.624 -6.183 1.00 49.88 C ATOM 270 CE1 PHE A 18 -13.188 4.087 -3.483 1.00 49.88 C ATOM 271 CE2 PHE A 18 -14.604 3.685 -5.363 1.00 49.88 C ATOM 272 CZ PHE A 18 -14.450 3.918 -4.010 1.00 49.88 C ATOM 0 H PHE A 18 -10.438 6.345 -6.930 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.591 4.237 -5.032 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -11.290 4.083 -7.553 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -10.710 2.686 -6.668 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -11.094 4.161 -3.885 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -13.623 3.442 -7.240 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -13.065 4.267 -2.425 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -15.592 3.551 -5.779 1.00 49.88 H new ATOM 0 HZ PHE A 18 -15.316 3.968 -3.367 1.00 49.88 H new ATOM 282 N GLY A 19 -7.767 3.335 -6.484 1.00 49.53 N ATOM 283 CA GLY A 19 -6.593 2.936 -7.251 1.00 49.98 C ATOM 284 C GLY A 19 -6.097 1.560 -6.823 1.00 50.51 C ATOM 285 O GLY A 19 -6.664 0.937 -5.926 1.00 49.49 O ATOM 0 H GLY A 19 -7.885 2.834 -5.604 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -6.836 2.924 -8.313 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -5.799 3.670 -7.114 1.00 49.98 H new ATOM 289 N PHE A 20 -5.035 1.093 -7.471 1.00 49.53 N ATOM 290 CA PHE A 20 -4.414 -0.176 -7.108 1.00 50.07 C ATOM 291 C PHE A 20 -2.915 -0.013 -6.891 1.00 50.51 C ATOM 292 O PHE A 20 -2.263 0.781 -7.571 1.00 49.49 O ATOM 293 CB PHE A 20 -4.679 -1.228 -8.186 1.00 49.82 C ATOM 294 CG PHE A 20 -6.114 -1.664 -8.267 1.00 50.00 C ATOM 295 CD1 PHE A 20 -6.582 -2.708 -7.484 1.00 49.88 C ATOM 296 CD2 PHE A 20 -6.999 -1.031 -9.126 1.00 49.88 C ATOM 297 CE1 PHE A 20 -7.901 -3.112 -7.557 1.00 49.88 C ATOM 298 CE2 PHE A 20 -8.320 -1.431 -9.201 1.00 49.88 C ATOM 299 CZ PHE A 20 -8.771 -2.472 -8.418 1.00 49.88 C ATOM 0 H PHE A 20 -4.586 1.574 -8.250 1.00 49.53 H new ATOM 0 HA PHE A 20 -4.859 -0.510 -6.171 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -4.375 -0.828 -9.153 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -4.054 -2.100 -7.991 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -5.907 -3.212 -6.808 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -6.652 -0.216 -9.744 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -8.252 -3.927 -6.942 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -8.999 -0.928 -9.873 1.00 49.88 H new ATOM 0 HZ PHE A 20 -9.802 -2.787 -8.478 1.00 49.88 H new ATOM 309 N ILE A 21 -2.374 -0.769 -5.943 1.00 49.53 N ATOM 310 CA ILE A 21 -0.938 -0.767 -5.688 1.00 50.07 C ATOM 311 C ILE A 21 -0.337 -2.149 -5.917 1.00 50.51 C ATOM 312 O ILE A 21 -0.885 -3.157 -5.472 1.00 49.49 O ATOM 313 CB ILE A 21 -0.620 -0.311 -4.252 1.00 49.91 C ATOM 314 CG1 ILE A 21 -1.206 1.078 -3.992 1.00 49.82 C ATOM 315 CG2 ILE A 21 0.882 -0.314 -4.014 1.00 49.73 C ATOM 316 CD1 ILE A 21 -1.239 1.464 -2.530 1.00 49.73 C ATOM 0 H ILE A 21 -2.908 -1.392 -5.337 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.495 -0.060 -6.390 1.00 50.07 H new ATOM 0 HB ILE A 21 -1.078 -1.013 -3.555 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -0.621 1.817 -4.540 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -2.220 1.115 -4.391 1.00 49.82 H new ATOM 0 HG21 ILE A 21 1.089 0.011 -2.994 1.00 49.73 H new ATOM 0 HG22 ILE A 21 1.272 -1.321 -4.160 1.00 49.73 H new ATOM 0 HG23 ILE A 21 1.363 0.367 -4.717 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -1.667 2.461 -2.426 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -1.848 0.748 -1.978 1.00 49.73 H new ATOM 0 HD13 ILE A 21 -0.225 1.461 -2.130 1.00 49.73 H new ATOM 328 N THR A 22 0.794 -2.186 -6.614 1.00 49.53 N ATOM 329 CA THR A 22 1.479 -3.443 -6.894 1.00 50.07 C ATOM 330 C THR A 22 2.567 -3.719 -5.864 1.00 50.51 C ATOM 331 O THR A 22 3.565 -3.003 -5.794 1.00 49.49 O ATOM 332 CB THR A 22 2.107 -3.444 -8.300 1.00 50.14 C ATOM 333 OG1 THR A 22 1.080 -3.268 -9.285 1.00 49.34 O ATOM 334 CG2 THR A 22 2.833 -4.753 -8.559 1.00 49.73 C ATOM 0 H THR A 22 1.256 -1.360 -6.995 1.00 49.53 H new ATOM 0 HA THR A 22 0.725 -4.229 -6.842 1.00 50.07 H new ATOM 0 HB THR A 22 2.824 -2.625 -8.362 1.00 50.14 H new ATOM 0 HG1 THR A 22 0.393 -3.956 -9.167 1.00 49.34 H new ATOM 0 HG21 THR A 22 3.270 -4.735 -9.557 1.00 49.73 H new ATOM 0 HG22 THR A 22 3.623 -4.884 -7.819 1.00 49.73 H new ATOM 0 HG23 THR A 22 2.128 -5.581 -8.487 1.00 49.73 H new ATOM 342 N PRO A 23 2.367 -4.762 -5.066 1.00 49.71 N ATOM 343 CA PRO A 23 3.296 -5.094 -3.992 1.00 50.02 C ATOM 344 C PRO A 23 4.684 -5.398 -4.539 1.00 50.51 C ATOM 345 O PRO A 23 4.826 -5.889 -5.659 1.00 49.49 O ATOM 346 CB PRO A 23 2.661 -6.317 -3.310 1.00 49.82 C ATOM 347 CG PRO A 23 1.197 -6.229 -3.642 1.00 49.82 C ATOM 348 CD PRO A 23 1.259 -5.721 -5.157 1.00 50.00 C ATOM 0 HA PRO A 23 3.444 -4.271 -3.293 1.00 50.02 H new ATOM 0 HB2 PRO A 23 3.095 -7.246 -3.681 1.00 49.82 H new ATOM 0 HB3 PRO A 23 2.824 -6.297 -2.232 1.00 49.82 H new ATOM 0 HG2 PRO A 23 0.694 -7.192 -3.550 1.00 49.82 H new ATOM 0 HG3 PRO A 23 0.668 -5.530 -2.994 1.00 49.82 H new ATOM 0 HD2 PRO A 23 1.466 -6.529 -5.858 1.00 50.00 H new ATOM 0 HD3 PRO A 23 0.328 -5.252 -5.476 1.00 50.00 H new ATOM 356 N ASP A 24 5.706 -5.105 -3.742 1.00 49.53 N ATOM 357 CA ASP A 24 7.086 -5.354 -4.143 1.00 50.07 C ATOM 358 C ASP A 24 7.364 -6.847 -4.261 1.00 50.51 C ATOM 359 O ASP A 24 8.324 -7.259 -4.913 1.00 49.49 O ATOM 360 CB ASP A 24 8.057 -4.715 -3.148 1.00 49.72 C ATOM 361 CG ASP A 24 8.207 -3.207 -3.295 1.00 50.62 C ATOM 362 OD1 ASP A 24 7.794 -2.684 -4.304 1.00 49.24 O ATOM 363 OD2 ASP A 24 8.587 -2.572 -2.341 1.00 49.24 O ATOM 0 H ASP A 24 5.605 -4.694 -2.814 1.00 49.53 H new ATOM 0 HA ASP A 24 7.235 -4.901 -5.123 1.00 50.07 H new ATOM 0 HB2 ASP A 24 7.719 -4.937 -2.136 1.00 49.72 H new ATOM 0 HB3 ASP A 24 9.036 -5.178 -3.266 1.00 49.72 H new ATOM 368 N ASP A 25 6.520 -7.653 -3.626 1.00 49.53 N ATOM 369 CA ASP A 25 6.648 -9.104 -3.695 1.00 50.07 C ATOM 370 C ASP A 25 6.160 -9.637 -5.036 1.00 50.51 C ATOM 371 O ASP A 25 6.397 -10.795 -5.377 1.00 49.49 O ATOM 372 CB ASP A 25 5.873 -9.766 -2.552 1.00 49.72 C ATOM 373 CG ASP A 25 6.516 -9.607 -1.181 1.00 50.62 C ATOM 374 OD1 ASP A 25 7.658 -9.216 -1.123 1.00 49.24 O ATOM 375 OD2 ASP A 25 5.817 -9.724 -0.203 1.00 49.24 O ATOM 0 H ASP A 25 5.739 -7.326 -3.057 1.00 49.53 H new ATOM 0 HA ASP A 25 7.705 -9.350 -3.595 1.00 50.07 H new ATOM 0 HB2 ASP A 25 4.868 -9.345 -2.519 1.00 49.72 H new ATOM 0 HB3 ASP A 25 5.767 -10.829 -2.769 1.00 49.72 H new ATOM 380 N GLY A 26 5.478 -8.784 -5.792 1.00 49.53 N ATOM 381 CA GLY A 26 4.989 -9.156 -7.114 1.00 49.98 C ATOM 382 C GLY A 26 3.660 -9.894 -7.023 1.00 50.51 C ATOM 383 O GLY A 26 3.226 -10.530 -7.983 1.00 49.49 O ATOM 0 H GLY A 26 5.251 -7.830 -5.512 1.00 49.53 H new ATOM 0 HA2 GLY A 26 4.870 -8.261 -7.725 1.00 49.98 H new ATOM 0 HA3 GLY A 26 5.725 -9.787 -7.612 1.00 49.98 H new ATOM 387 N SER A 27 3.018 -9.806 -5.863 1.00 49.53 N ATOM 388 CA SER A 27 1.728 -10.450 -5.650 1.00 50.07 C ATOM 389 C SER A 27 0.610 -9.693 -6.355 1.00 50.51 C ATOM 390 O SER A 27 0.845 -8.651 -6.968 1.00 49.49 O ATOM 391 CB SER A 27 1.438 -10.560 -4.165 1.00 50.05 C ATOM 392 OG SER A 27 1.187 -9.309 -3.585 1.00 49.34 O ATOM 0 H SER A 27 3.371 -9.294 -5.055 1.00 49.53 H new ATOM 0 HA SER A 27 1.774 -11.452 -6.078 1.00 50.07 H new ATOM 0 HB2 SER A 27 0.577 -11.210 -4.011 1.00 50.05 H new ATOM 0 HB3 SER A 27 2.285 -11.029 -3.664 1.00 50.05 H new ATOM 0 HG SER A 27 1.003 -9.423 -2.629 1.00 49.34 H new ATOM 398 N LYS A 28 -0.605 -10.222 -6.263 1.00 49.53 N ATOM 399 CA LYS A 28 -1.759 -9.605 -6.907 1.00 50.07 C ATOM 400 C LYS A 28 -1.925 -8.156 -6.469 1.00 50.51 C ATOM 401 O LYS A 28 -1.515 -7.778 -5.371 1.00 49.49 O ATOM 402 CB LYS A 28 -3.030 -10.397 -6.598 1.00 49.82 C ATOM 403 CG LYS A 28 -3.060 -11.798 -7.196 1.00 49.82 C ATOM 404 CD LYS A 28 -4.362 -12.513 -6.868 1.00 49.82 C ATOM 405 CE LYS A 28 -4.392 -13.912 -7.466 1.00 50.21 C ATOM 406 NZ LYS A 28 -5.656 -14.629 -7.140 1.00 49.70 N ATOM 0 H LYS A 28 -0.817 -11.077 -5.749 1.00 49.53 H new ATOM 0 HA LYS A 28 -1.587 -9.617 -7.983 1.00 50.07 H new ATOM 0 HB2 LYS A 28 -3.141 -10.474 -5.516 1.00 49.82 H new ATOM 0 HB3 LYS A 28 -3.890 -9.839 -6.968 1.00 49.82 H new ATOM 0 HG2 LYS A 28 -2.939 -11.736 -8.278 1.00 49.82 H new ATOM 0 HG3 LYS A 28 -2.219 -12.377 -6.814 1.00 49.82 H new ATOM 0 HD2 LYS A 28 -4.482 -12.575 -5.786 1.00 49.82 H new ATOM 0 HD3 LYS A 28 -5.203 -11.934 -7.250 1.00 49.82 H new ATOM 0 HE2 LYS A 28 -4.281 -13.846 -8.548 1.00 50.21 H new ATOM 0 HE3 LYS A 28 -3.543 -14.485 -7.092 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 -5.637 -15.578 -7.566 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 -5.750 -14.714 -6.108 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 -6.465 -14.096 -7.519 1.00 49.70 H new ATOM 420 N ASP A 29 -2.530 -7.348 -7.332 1.00 49.53 N ATOM 421 CA ASP A 29 -2.716 -5.929 -7.054 1.00 50.07 C ATOM 422 C ASP A 29 -3.631 -5.718 -5.854 1.00 50.51 C ATOM 423 O ASP A 29 -4.635 -6.414 -5.698 1.00 49.49 O ATOM 424 CB ASP A 29 -3.283 -5.211 -8.280 1.00 49.72 C ATOM 425 CG ASP A 29 -2.274 -4.980 -9.398 1.00 50.62 C ATOM 426 OD1 ASP A 29 -1.101 -5.124 -9.149 1.00 49.24 O ATOM 427 OD2 ASP A 29 -2.688 -4.819 -10.520 1.00 49.24 O ATOM 0 H ASP A 29 -2.901 -7.652 -8.232 1.00 49.53 H new ATOM 0 HA ASP A 29 -1.740 -5.506 -6.817 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -4.116 -5.793 -8.674 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -3.687 -4.248 -7.967 1.00 49.72 H new ATOM 432 N VAL A 30 -3.278 -4.756 -5.009 1.00 49.53 N ATOM 433 CA VAL A 30 -4.054 -4.467 -3.809 1.00 50.07 C ATOM 434 C VAL A 30 -4.899 -3.212 -3.988 1.00 50.51 C ATOM 435 O VAL A 30 -4.389 -2.157 -4.362 1.00 49.49 O ATOM 436 CB VAL A 30 -3.145 -4.292 -2.577 1.00 49.91 C ATOM 437 CG1 VAL A 30 -3.977 -3.965 -1.345 1.00 49.73 C ATOM 438 CG2 VAL A 30 -2.318 -5.545 -2.342 1.00 49.73 C ATOM 0 H VAL A 30 -2.458 -4.162 -5.133 1.00 49.53 H new ATOM 0 HA VAL A 30 -4.710 -5.322 -3.646 1.00 50.07 H new ATOM 0 HB VAL A 30 -2.465 -3.461 -2.766 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -3.320 -3.845 -0.484 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -4.528 -3.040 -1.513 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -4.680 -4.776 -1.155 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -1.682 -5.403 -1.468 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -2.982 -6.393 -2.174 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -1.696 -5.739 -3.216 1.00 49.73 H new ATOM 448 N PHE A 31 -6.194 -3.335 -3.718 1.00 49.53 N ATOM 449 CA PHE A 31 -7.121 -2.222 -3.887 1.00 50.07 C ATOM 450 C PHE A 31 -6.953 -1.192 -2.777 1.00 50.51 C ATOM 451 O PHE A 31 -7.033 -1.522 -1.594 1.00 49.49 O ATOM 452 CB PHE A 31 -8.564 -2.728 -3.921 1.00 49.82 C ATOM 453 CG PHE A 31 -9.589 -1.631 -3.962 1.00 50.00 C ATOM 454 CD1 PHE A 31 -9.819 -0.920 -5.130 1.00 49.88 C ATOM 455 CD2 PHE A 31 -10.326 -1.309 -2.832 1.00 49.88 C ATOM 456 CE1 PHE A 31 -10.763 0.090 -5.168 1.00 49.88 C ATOM 457 CE2 PHE A 31 -11.271 -0.301 -2.868 1.00 49.88 C ATOM 458 CZ PHE A 31 -11.488 0.399 -4.037 1.00 49.88 C ATOM 0 H PHE A 31 -6.626 -4.195 -3.381 1.00 49.53 H new ATOM 0 HA PHE A 31 -6.893 -1.739 -4.837 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -8.695 -3.368 -4.794 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -8.743 -3.347 -3.042 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -9.255 -1.158 -6.020 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -10.160 -1.852 -1.913 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -10.932 0.637 -6.084 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -11.839 -0.061 -1.981 1.00 49.88 H new ATOM 0 HZ PHE A 31 -12.225 1.188 -4.066 1.00 49.88 H new ATOM 468 N VAL A 32 -6.720 0.058 -3.166 1.00 49.53 N ATOM 469 CA VAL A 32 -6.571 1.144 -2.205 1.00 50.07 C ATOM 470 C VAL A 32 -7.537 2.282 -2.508 1.00 50.51 C ATOM 471 O VAL A 32 -7.567 2.805 -3.621 1.00 49.49 O ATOM 472 CB VAL A 32 -5.133 1.693 -2.192 1.00 49.91 C ATOM 473 CG1 VAL A 32 -4.739 2.189 -3.575 1.00 49.73 C ATOM 474 CG2 VAL A 32 -4.999 2.811 -1.169 1.00 49.73 C ATOM 0 H VAL A 32 -6.630 0.343 -4.141 1.00 49.53 H new ATOM 0 HA VAL A 32 -6.800 0.729 -1.223 1.00 50.07 H new ATOM 0 HB VAL A 32 -4.459 0.884 -1.910 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -3.719 2.574 -3.547 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -4.797 1.366 -4.287 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -5.418 2.984 -3.884 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -3.976 3.187 -1.173 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -5.684 3.620 -1.422 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -5.240 2.428 -0.178 1.00 49.73 H new ATOM 484 N HIS A 33 -8.326 2.662 -1.508 1.00 49.53 N ATOM 485 CA HIS A 33 -9.195 3.828 -1.619 1.00 50.07 C ATOM 486 C HIS A 33 -8.582 5.040 -0.931 1.00 50.51 C ATOM 487 O HIS A 33 -7.688 4.906 -0.095 1.00 49.49 O ATOM 488 CB HIS A 33 -10.576 3.533 -1.026 1.00 49.92 C ATOM 489 CG HIS A 33 -10.526 2.936 0.346 1.00 50.22 C ATOM 490 ND1 HIS A 33 -11.645 2.804 1.142 1.00 49.30 N ATOM 491 CD2 HIS A 33 -9.493 2.439 1.066 1.00 49.95 C ATOM 492 CE1 HIS A 33 -11.302 2.249 2.291 1.00 50.25 C ATOM 493 NE2 HIS A 33 -10.001 2.018 2.270 1.00 49.64 N ATOM 0 H HIS A 33 -8.381 2.179 -0.611 1.00 49.53 H new ATOM 0 HA HIS A 33 -9.307 4.055 -2.679 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -11.151 4.458 -0.989 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -11.109 2.852 -1.690 1.00 49.92 H new ATOM 0 HD2 HIS A 33 -8.461 2.384 0.752 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -11.971 2.023 3.108 1.00 50.25 H new ATOM 0 HE2 HIS A 33 -9.462 1.595 3.026 1.00 49.64 H new ATOM 501 N PHE A 34 -9.066 6.225 -1.286 1.00 49.53 N ATOM 502 CA PHE A 34 -8.538 7.467 -0.734 1.00 50.07 C ATOM 503 C PHE A 34 -8.633 7.475 0.787 1.00 50.51 C ATOM 504 O PHE A 34 -7.853 8.146 1.463 1.00 49.49 O ATOM 505 CB PHE A 34 -9.283 8.670 -1.313 1.00 49.82 C ATOM 506 CG PHE A 34 -10.683 8.826 -0.790 1.00 50.00 C ATOM 507 CD1 PHE A 34 -11.743 8.164 -1.392 1.00 49.88 C ATOM 508 CD2 PHE A 34 -10.942 9.635 0.306 1.00 49.88 C ATOM 509 CE1 PHE A 34 -13.030 8.307 -0.913 1.00 49.88 C ATOM 510 CE2 PHE A 34 -12.230 9.778 0.789 1.00 49.88 C ATOM 511 CZ PHE A 34 -13.273 9.116 0.180 1.00 49.88 C ATOM 0 H PHE A 34 -9.825 6.352 -1.955 1.00 49.53 H new ATOM 0 HA PHE A 34 -7.486 7.536 -1.012 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -8.719 9.576 -1.091 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -9.319 8.575 -2.398 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -11.559 7.529 -2.246 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -10.129 10.159 0.787 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -13.846 7.787 -1.392 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -12.418 10.409 1.645 1.00 49.88 H new ATOM 0 HZ PHE A 34 -14.279 9.229 0.556 1.00 49.88 H new ATOM 521 N SER A 35 -9.592 6.727 1.320 1.00 49.53 N ATOM 522 CA SER A 35 -9.818 6.681 2.759 1.00 50.07 C ATOM 523 C SER A 35 -8.629 6.063 3.485 1.00 50.51 C ATOM 524 O SER A 35 -8.406 6.326 4.666 1.00 49.49 O ATOM 525 CB SER A 35 -11.084 5.905 3.065 1.00 50.05 C ATOM 526 OG SER A 35 -12.226 6.544 2.564 1.00 49.34 O ATOM 0 H SER A 35 -10.227 6.143 0.776 1.00 49.53 H new ATOM 0 HA SER A 35 -9.934 7.704 3.116 1.00 50.07 H new ATOM 0 HB2 SER A 35 -11.010 4.906 2.635 1.00 50.05 H new ATOM 0 HB3 SER A 35 -11.182 5.781 4.144 1.00 50.05 H new ATOM 0 HG SER A 35 -13.020 6.012 2.780 1.00 49.34 H new ATOM 532 N ALA A 36 -7.870 5.241 2.770 1.00 49.53 N ATOM 533 CA ALA A 36 -6.714 4.566 3.350 1.00 50.07 C ATOM 534 C ALA A 36 -5.493 5.475 3.361 1.00 50.51 C ATOM 535 O ALA A 36 -4.479 5.163 3.986 1.00 49.49 O ATOM 536 CB ALA A 36 -6.416 3.281 2.592 1.00 49.73 C ATOM 0 H ALA A 36 -8.034 5.025 1.787 1.00 49.53 H new ATOM 0 HA ALA A 36 -6.953 4.316 4.384 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -5.551 2.789 3.036 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -7.279 2.618 2.647 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -6.204 3.515 1.549 1.00 49.73 H new ATOM 542 N ILE A 37 -5.595 6.603 2.664 1.00 49.53 N ATOM 543 CA ILE A 37 -4.470 7.520 2.522 1.00 50.07 C ATOM 544 C ILE A 37 -4.268 8.344 3.787 1.00 50.51 C ATOM 545 O ILE A 37 -5.089 9.196 4.122 1.00 49.49 O ATOM 546 CB ILE A 37 -4.665 8.471 1.327 1.00 49.91 C ATOM 547 CG1 ILE A 37 -4.913 7.672 0.044 1.00 49.82 C ATOM 548 CG2 ILE A 37 -3.454 9.379 1.166 1.00 49.73 C ATOM 549 CD1 ILE A 37 -3.834 6.659 -0.263 1.00 49.73 C ATOM 0 H ILE A 37 -6.446 6.904 2.189 1.00 49.53 H new ATOM 0 HA ILE A 37 -3.585 6.908 2.347 1.00 50.07 H new ATOM 0 HB ILE A 37 -5.538 9.094 1.519 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -5.869 7.156 0.128 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -4.997 8.365 -0.794 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -3.609 10.045 0.317 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -3.320 9.971 2.071 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -2.565 8.772 0.994 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -4.080 6.133 -1.186 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -2.878 7.170 -0.380 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -3.764 5.942 0.555 1.00 49.73 H new ATOM 561 N GLN A 38 -3.168 8.083 4.486 1.00 49.53 N ATOM 562 CA GLN A 38 -2.873 8.775 5.736 1.00 50.07 C ATOM 563 C GLN A 38 -1.862 9.894 5.522 1.00 50.51 C ATOM 564 O GLN A 38 -1.393 10.511 6.479 1.00 49.49 O ATOM 565 CB GLN A 38 -2.341 7.790 6.781 1.00 49.82 C ATOM 566 CG GLN A 38 -3.263 6.612 7.052 1.00 49.82 C ATOM 567 CD GLN A 38 -4.618 7.047 7.576 1.00 50.55 C ATOM 568 OE1 GLN A 38 -4.710 7.872 8.490 1.00 49.45 O ATOM 569 NE2 GLN A 38 -5.679 6.490 7.004 1.00 49.38 N ATOM 0 H GLN A 38 -2.466 7.397 4.208 1.00 49.53 H new ATOM 0 HA GLN A 38 -3.802 9.215 6.098 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -1.374 7.412 6.449 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -2.170 8.325 7.715 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -3.398 6.041 6.133 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -2.794 5.946 7.776 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -5.556 5.813 6.251 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -6.617 6.740 7.317 1.00 49.38 H new ATOM 578 N ASN A 39 -1.529 10.151 4.262 1.00 49.53 N ATOM 579 CA ASN A 39 -0.577 11.200 3.920 1.00 50.07 C ATOM 580 C ASN A 39 -1.219 12.578 4.011 1.00 50.51 C ATOM 581 O ASN A 39 -2.425 12.725 3.809 1.00 49.49 O ATOM 582 CB ASN A 39 0.013 10.986 2.537 1.00 49.82 C ATOM 583 CG ASN A 39 0.873 9.757 2.430 1.00 50.55 C ATOM 584 OD1 ASN A 39 1.891 9.626 3.119 1.00 49.45 O ATOM 585 ND2 ASN A 39 0.515 8.896 1.512 1.00 49.38 N ATOM 0 H ASN A 39 -1.905 9.646 3.460 1.00 49.53 H new ATOM 0 HA ASN A 39 0.233 11.148 4.647 1.00 50.07 H new ATOM 0 HB2 ASN A 39 -0.798 10.915 1.813 1.00 49.82 H new ATOM 0 HB3 ASN A 39 0.607 11.859 2.266 1.00 49.82 H new ATOM 0 HD21 ASN A 39 1.086 8.069 1.338 1.00 49.38 H new ATOM 0 HD22 ASN A 39 -0.335 9.052 0.971 1.00 49.38 H new ATOM 592 N ASP A 40 -0.408 13.585 4.313 1.00 49.53 N ATOM 593 CA ASP A 40 -0.899 14.952 4.444 1.00 50.07 C ATOM 594 C ASP A 40 -1.374 15.497 3.103 1.00 50.51 C ATOM 595 O ASP A 40 -0.923 15.054 2.048 1.00 49.49 O ATOM 596 CB ASP A 40 0.189 15.859 5.025 1.00 49.72 C ATOM 597 CG ASP A 40 0.468 15.638 6.505 1.00 50.62 C ATOM 598 OD1 ASP A 40 -0.289 14.938 7.134 1.00 49.24 O ATOM 599 OD2 ASP A 40 1.514 16.038 6.958 1.00 49.24 O ATOM 0 H ASP A 40 0.594 13.481 4.472 1.00 49.53 H new ATOM 0 HA ASP A 40 -1.749 14.937 5.126 1.00 50.07 H new ATOM 0 HB2 ASP A 40 1.112 15.702 4.466 1.00 49.72 H new ATOM 0 HB3 ASP A 40 -0.103 16.898 4.874 1.00 49.72 H new ATOM 604 N GLY A 41 -2.288 16.460 3.153 1.00 49.53 N ATOM 605 CA GLY A 41 -2.830 17.064 1.942 1.00 49.98 C ATOM 606 C GLY A 41 -3.983 16.239 1.383 1.00 50.51 C ATOM 607 O GLY A 41 -4.598 15.449 2.100 1.00 49.49 O ATOM 0 H GLY A 41 -2.669 16.839 4.020 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -3.175 18.075 2.160 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -2.044 17.150 1.192 1.00 49.98 H new ATOM 611 N TYR A 42 -4.270 16.427 0.100 1.00 49.53 N ATOM 612 CA TYR A 42 -5.350 15.700 -0.558 1.00 50.07 C ATOM 613 C TYR A 42 -5.064 14.204 -0.595 1.00 50.51 C ATOM 614 O TYR A 42 -3.971 13.780 -0.970 1.00 49.49 O ATOM 615 CB TYR A 42 -5.564 16.229 -1.978 1.00 49.82 C ATOM 616 CG TYR A 42 -6.675 15.531 -2.731 1.00 50.00 C ATOM 617 CD1 TYR A 42 -8.004 15.746 -2.401 1.00 49.88 C ATOM 618 CD2 TYR A 42 -6.390 14.660 -3.771 1.00 49.88 C ATOM 619 CE1 TYR A 42 -9.023 15.111 -3.084 1.00 49.88 C ATOM 620 CE2 TYR A 42 -7.400 14.019 -4.463 1.00 49.88 C ATOM 621 CZ TYR A 42 -8.716 14.248 -4.117 1.00 50.11 C ATOM 622 OH TYR A 42 -9.726 13.613 -4.803 1.00 49.46 O ATOM 0 H TYR A 42 -3.770 17.077 -0.506 1.00 49.53 H new ATOM 0 HA TYR A 42 -6.260 15.859 0.020 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -5.786 17.295 -1.929 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -4.635 16.122 -2.539 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -8.247 16.422 -1.595 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -5.361 14.479 -4.045 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -10.053 15.288 -2.812 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -7.161 13.343 -5.270 1.00 49.88 H new ATOM 0 HH TYR A 42 -10.527 14.178 -4.803 1.00 49.46 H new ATOM 632 N LYS A 43 -6.054 13.409 -0.203 1.00 49.53 N ATOM 633 CA LYS A 43 -5.895 11.961 -0.145 1.00 50.07 C ATOM 634 C LYS A 43 -5.797 11.360 -1.541 1.00 50.51 C ATOM 635 O LYS A 43 -6.806 11.197 -2.228 1.00 49.49 O ATOM 636 CB LYS A 43 -7.055 11.325 0.622 1.00 49.82 C ATOM 637 CG LYS A 43 -7.044 11.596 2.120 1.00 49.82 C ATOM 638 CD LYS A 43 -8.312 11.083 2.786 1.00 49.82 C ATOM 639 CE LYS A 43 -8.402 11.540 4.235 1.00 50.21 C ATOM 640 NZ LYS A 43 -8.777 12.975 4.344 1.00 49.70 N ATOM 0 H LYS A 43 -6.975 13.743 0.079 1.00 49.53 H new ATOM 0 HA LYS A 43 -4.965 11.749 0.382 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -7.994 11.691 0.206 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -7.034 10.247 0.460 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -6.175 11.118 2.571 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -6.946 12.667 2.297 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -9.183 11.439 2.236 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -8.332 9.994 2.744 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -9.137 10.932 4.762 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -7.443 11.377 4.727 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -8.943 13.216 5.342 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -8.007 13.565 3.969 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -9.644 13.150 3.797 1.00 49.70 H new ATOM 654 N SER A 44 -4.578 11.033 -1.955 1.00 49.53 N ATOM 655 CA SER A 44 -4.343 10.481 -3.284 1.00 50.07 C ATOM 656 C SER A 44 -2.959 9.855 -3.384 1.00 50.51 C ATOM 657 O SER A 44 -2.134 10.001 -2.481 1.00 49.49 O ATOM 658 CB SER A 44 -4.511 11.562 -4.335 1.00 50.05 C ATOM 659 OG SER A 44 -3.530 12.557 -4.228 1.00 49.34 O ATOM 0 H SER A 44 -3.736 11.141 -1.389 1.00 49.53 H new ATOM 0 HA SER A 44 -5.079 9.696 -3.461 1.00 50.07 H new ATOM 0 HB2 SER A 44 -4.465 11.113 -5.327 1.00 50.05 H new ATOM 0 HB3 SER A 44 -5.498 12.014 -4.235 1.00 50.05 H new ATOM 0 HG SER A 44 -3.672 13.233 -4.923 1.00 49.34 H new ATOM 665 N LEU A 45 -2.709 9.156 -4.485 1.00 49.53 N ATOM 666 CA LEU A 45 -1.431 8.485 -4.694 1.00 50.07 C ATOM 667 C LEU A 45 -0.842 8.833 -6.056 1.00 50.51 C ATOM 668 O LEU A 45 -1.572 9.007 -7.032 1.00 49.49 O ATOM 669 CB LEU A 45 -1.600 6.967 -4.559 1.00 49.82 C ATOM 670 CG LEU A 45 -1.955 6.472 -3.151 1.00 49.91 C ATOM 671 CD1 LEU A 45 -2.263 4.981 -3.183 1.00 49.73 C ATOM 672 CD2 LEU A 45 -0.801 6.765 -2.204 1.00 49.73 C ATOM 0 H LEU A 45 -3.376 9.039 -5.248 1.00 49.53 H new ATOM 0 HA LEU A 45 -0.738 8.834 -3.929 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -2.379 6.642 -5.248 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -0.674 6.485 -4.874 1.00 49.82 H new ATOM 0 HG LEU A 45 -2.843 6.995 -2.795 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -2.514 4.640 -2.179 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -3.106 4.798 -3.850 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -1.390 4.437 -3.544 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -1.053 6.413 -1.204 1.00 49.73 H new ATOM 0 HD22 LEU A 45 0.095 6.253 -2.553 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -0.617 7.839 -2.176 1.00 49.73 H new ATOM 684 N ASP A 46 0.481 8.935 -6.114 1.00 49.53 N ATOM 685 CA ASP A 46 1.169 9.280 -7.352 1.00 50.07 C ATOM 686 C ASP A 46 1.825 8.057 -7.978 1.00 50.51 C ATOM 687 O ASP A 46 2.815 7.538 -7.463 1.00 49.49 O ATOM 688 CB ASP A 46 2.218 10.366 -7.096 1.00 49.72 C ATOM 689 CG ASP A 46 2.959 10.830 -8.344 1.00 50.62 C ATOM 690 OD1 ASP A 46 2.713 10.287 -9.394 1.00 49.24 O ATOM 691 OD2 ASP A 46 3.645 11.822 -8.268 1.00 49.24 O ATOM 0 H ASP A 46 1.099 8.783 -5.317 1.00 49.53 H new ATOM 0 HA ASP A 46 0.425 9.662 -8.051 1.00 50.07 H new ATOM 0 HB2 ASP A 46 1.729 11.226 -6.637 1.00 49.72 H new ATOM 0 HB3 ASP A 46 2.944 9.990 -6.375 1.00 49.72 H new ATOM 696 N GLU A 47 1.267 7.599 -9.094 1.00 49.53 N ATOM 697 CA GLU A 47 1.788 6.427 -9.787 1.00 50.07 C ATOM 698 C GLU A 47 3.309 6.457 -9.852 1.00 50.51 C ATOM 699 O GLU A 47 3.906 7.490 -10.155 1.00 49.49 O ATOM 700 CB GLU A 47 1.202 6.334 -11.198 1.00 49.82 C ATOM 701 CG GLU A 47 -0.284 6.010 -11.242 1.00 49.72 C ATOM 702 CD GLU A 47 -1.118 7.245 -11.042 1.00 50.62 C ATOM 703 OE1 GLU A 47 -0.555 8.290 -10.818 1.00 49.24 O ATOM 704 OE2 GLU A 47 -2.310 7.168 -11.225 1.00 49.24 O ATOM 0 H GLU A 47 0.452 8.023 -9.538 1.00 49.53 H new ATOM 0 HA GLU A 47 1.489 5.545 -9.221 1.00 50.07 H new ATOM 0 HB2 GLU A 47 1.370 7.281 -11.711 1.00 49.82 H new ATOM 0 HB3 GLU A 47 1.745 5.569 -11.754 1.00 49.82 H new ATOM 0 HG2 GLU A 47 -0.531 5.553 -12.200 1.00 49.72 H new ATOM 0 HG3 GLU A 47 -0.522 5.279 -10.470 1.00 49.72 H new ATOM 711 N GLY A 48 3.931 5.318 -9.566 1.00 49.53 N ATOM 712 CA GLY A 48 5.384 5.204 -9.624 1.00 49.98 C ATOM 713 C GLY A 48 6.009 5.421 -8.253 1.00 50.51 C ATOM 714 O GLY A 48 7.175 5.094 -8.033 1.00 49.49 O ATOM 0 H GLY A 48 3.452 4.461 -9.292 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.659 4.219 -10.000 1.00 49.98 H new ATOM 0 HA3 GLY A 48 5.781 5.936 -10.327 1.00 49.98 H new ATOM 718 N GLN A 49 5.226 5.972 -7.332 1.00 49.53 N ATOM 719 CA GLN A 49 5.711 6.261 -5.988 1.00 50.07 C ATOM 720 C GLN A 49 5.673 5.016 -5.109 1.00 50.51 C ATOM 721 O GLN A 49 4.697 4.268 -5.119 1.00 49.49 O ATOM 722 CB GLN A 49 4.878 7.372 -5.344 1.00 49.82 C ATOM 723 CG GLN A 49 5.354 7.787 -3.962 1.00 49.82 C ATOM 724 CD GLN A 49 4.595 8.985 -3.424 1.00 50.55 C ATOM 725 OE1 GLN A 49 3.764 9.575 -4.121 1.00 49.45 O ATOM 726 NE2 GLN A 49 4.879 9.355 -2.180 1.00 49.38 N ATOM 0 H GLN A 49 4.252 6.228 -7.492 1.00 49.53 H new ATOM 0 HA GLN A 49 6.746 6.593 -6.074 1.00 50.07 H new ATOM 0 HB2 GLN A 49 4.890 8.245 -5.997 1.00 49.82 H new ATOM 0 HB3 GLN A 49 3.842 7.040 -5.275 1.00 49.82 H new ATOM 0 HG2 GLN A 49 5.239 6.949 -3.274 1.00 49.82 H new ATOM 0 HG3 GLN A 49 6.417 8.023 -4.003 1.00 49.82 H new ATOM 0 HE21 GLN A 49 5.573 8.838 -1.640 1.00 49.38 H new ATOM 0 HE22 GLN A 49 4.403 10.156 -1.765 1.00 49.38 H new ATOM 735 N LYS A 50 6.744 4.801 -4.352 1.00 49.53 N ATOM 736 CA LYS A 50 6.798 3.698 -3.400 1.00 50.07 C ATOM 737 C LYS A 50 6.062 4.044 -2.112 1.00 50.51 C ATOM 738 O LYS A 50 6.283 5.103 -1.525 1.00 49.49 O ATOM 739 CB LYS A 50 8.250 3.326 -3.093 1.00 49.82 C ATOM 740 CG LYS A 50 8.997 2.689 -4.257 1.00 49.82 C ATOM 741 CD LYS A 50 10.432 2.356 -3.877 1.00 49.82 C ATOM 742 CE LYS A 50 11.187 1.747 -5.049 1.00 50.21 C ATOM 743 NZ LYS A 50 12.595 1.418 -4.694 1.00 49.70 N ATOM 0 H LYS A 50 7.586 5.376 -4.379 1.00 49.53 H new ATOM 0 HA LYS A 50 6.302 2.841 -3.855 1.00 50.07 H new ATOM 0 HB2 LYS A 50 8.784 4.224 -2.782 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.265 2.638 -2.248 1.00 49.82 H new ATOM 0 HG2 LYS A 50 8.481 1.781 -4.570 1.00 49.82 H new ATOM 0 HG3 LYS A 50 8.993 3.368 -5.110 1.00 49.82 H new ATOM 0 HD2 LYS A 50 10.941 3.260 -3.544 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.436 1.660 -3.038 1.00 49.82 H new ATOM 0 HE2 LYS A 50 10.676 0.843 -5.379 1.00 50.21 H new ATOM 0 HE3 LYS A 50 11.178 2.443 -5.888 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 13.074 1.006 -5.520 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 13.091 2.284 -4.403 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 12.605 0.734 -3.911 1.00 49.70 H new ATOM 757 N VAL A 51 5.185 3.145 -1.677 1.00 49.53 N ATOM 758 CA VAL A 51 4.371 3.380 -0.491 1.00 50.07 C ATOM 759 C VAL A 51 4.396 2.177 0.442 1.00 50.51 C ATOM 760 O VAL A 51 4.808 1.086 0.051 1.00 49.49 O ATOM 761 CB VAL A 51 2.911 3.700 -0.863 1.00 49.91 C ATOM 762 CG1 VAL A 51 2.831 5.011 -1.631 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.309 2.567 -1.681 1.00 49.73 C ATOM 0 H VAL A 51 5.020 2.246 -2.129 1.00 49.53 H new ATOM 0 HA VAL A 51 4.803 4.240 0.021 1.00 50.07 H new ATOM 0 HB VAL A 51 2.337 3.804 0.058 1.00 49.91 H new ATOM 0 HG11 VAL A 51 1.792 5.221 -1.885 1.00 49.73 H new ATOM 0 HG12 VAL A 51 3.224 5.819 -1.014 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.420 4.934 -2.545 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.277 2.810 -1.935 1.00 49.73 H new ATOM 0 HG22 VAL A 51 2.886 2.432 -2.596 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.332 1.646 -1.099 1.00 49.73 H new ATOM 773 N SER A 52 3.953 2.384 1.678 1.00 49.53 N ATOM 774 CA SER A 52 3.896 1.310 2.661 1.00 50.07 C ATOM 775 C SER A 52 2.542 1.269 3.357 1.00 50.51 C ATOM 776 O SER A 52 1.986 2.308 3.714 1.00 49.49 O ATOM 777 CB SER A 52 5.009 1.474 3.679 1.00 50.05 C ATOM 778 OG SER A 52 4.977 0.474 4.659 1.00 49.34 O ATOM 0 H SER A 52 3.628 3.287 2.022 1.00 49.53 H new ATOM 0 HA SER A 52 4.031 0.364 2.137 1.00 50.07 H new ATOM 0 HB2 SER A 52 5.972 1.451 3.169 1.00 50.05 H new ATOM 0 HB3 SER A 52 4.923 2.451 4.155 1.00 50.05 H new ATOM 0 HG SER A 52 5.710 0.614 5.294 1.00 49.34 H new ATOM 784 N PHE A 53 2.015 0.065 3.547 1.00 49.53 N ATOM 785 CA PHE A 53 0.661 -0.107 4.061 1.00 50.07 C ATOM 786 C PHE A 53 0.430 -1.535 4.537 1.00 50.51 C ATOM 787 O PHE A 53 1.263 -2.416 4.318 1.00 49.49 O ATOM 788 CB PHE A 53 -0.368 0.264 2.990 1.00 49.82 C ATOM 789 CG PHE A 53 -0.190 -0.479 1.697 1.00 50.00 C ATOM 790 CD1 PHE A 53 0.711 -0.034 0.742 1.00 49.88 C ATOM 791 CD2 PHE A 53 -0.925 -1.625 1.432 1.00 49.88 C ATOM 792 CE1 PHE A 53 0.875 -0.714 -0.448 1.00 49.88 C ATOM 793 CE2 PHE A 53 -0.763 -2.309 0.241 1.00 49.88 C ATOM 794 CZ PHE A 53 0.137 -1.854 -0.698 1.00 49.88 C ATOM 0 H PHE A 53 2.505 -0.808 3.353 1.00 49.53 H new ATOM 0 HA PHE A 53 0.540 0.560 4.915 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -1.368 0.068 3.377 1.00 49.82 H new ATOM 0 HB3 PHE A 53 -0.306 1.335 2.795 1.00 49.82 H new ATOM 0 HD1 PHE A 53 1.292 0.856 0.932 1.00 49.88 H new ATOM 0 HD2 PHE A 53 -1.632 -1.987 2.164 1.00 49.88 H new ATOM 0 HE1 PHE A 53 1.580 -0.355 -1.183 1.00 49.88 H new ATOM 0 HE2 PHE A 53 -1.342 -3.200 0.047 1.00 49.88 H new ATOM 0 HZ PHE A 53 0.265 -2.388 -1.628 1.00 49.88 H new ATOM 804 N THR A 54 -0.704 -1.759 5.190 1.00 49.53 N ATOM 805 CA THR A 54 -1.116 -3.104 5.575 1.00 50.07 C ATOM 806 C THR A 54 -2.109 -3.684 4.575 1.00 50.51 C ATOM 807 O THR A 54 -2.885 -2.952 3.962 1.00 49.49 O ATOM 808 CB THR A 54 -1.745 -3.123 6.980 1.00 50.14 C ATOM 809 OG1 THR A 54 -2.900 -2.274 7.000 1.00 49.34 O ATOM 810 CG2 THR A 54 -0.747 -2.640 8.020 1.00 49.73 C ATOM 0 H THR A 54 -1.356 -1.025 5.465 1.00 49.53 H new ATOM 0 HA THR A 54 -0.215 -3.717 5.584 1.00 50.07 H new ATOM 0 HB THR A 54 -2.033 -4.147 7.218 1.00 50.14 H new ATOM 0 HG1 THR A 54 -3.301 -2.288 7.894 1.00 49.34 H new ATOM 0 HG21 THR A 54 -1.211 -2.661 9.006 1.00 49.73 H new ATOM 0 HG22 THR A 54 0.127 -3.292 8.016 1.00 49.73 H new ATOM 0 HG23 THR A 54 -0.441 -1.621 7.785 1.00 49.73 H new ATOM 818 N ILE A 55 -2.080 -5.002 4.417 1.00 49.53 N ATOM 819 CA ILE A 55 -2.935 -5.676 3.446 1.00 50.07 C ATOM 820 C ILE A 55 -3.886 -6.648 4.133 1.00 50.51 C ATOM 821 O ILE A 55 -3.455 -7.569 4.826 1.00 49.49 O ATOM 822 CB ILE A 55 -2.106 -6.439 2.396 1.00 49.91 C ATOM 823 CG1 ILE A 55 -1.185 -5.476 1.642 1.00 49.82 C ATOM 824 CG2 ILE A 55 -3.021 -7.173 1.428 1.00 49.73 C ATOM 825 CD1 ILE A 55 -0.176 -6.168 0.754 1.00 49.73 C ATOM 0 H ILE A 55 -1.473 -5.626 4.949 1.00 49.53 H new ATOM 0 HA ILE A 55 -3.513 -4.900 2.944 1.00 50.07 H new ATOM 0 HB ILE A 55 -1.488 -7.176 2.909 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -1.794 -4.808 1.033 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -0.655 -4.855 2.364 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -2.419 -7.707 0.693 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -3.637 -7.884 1.978 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -3.663 -6.455 0.919 1.00 49.73 H new ATOM 0 HD11 ILE A 55 0.440 -5.421 0.253 1.00 49.73 H new ATOM 0 HD12 ILE A 55 0.458 -6.815 1.360 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -0.698 -6.767 0.008 1.00 49.73 H new ATOM 923 N ALA A 63 -7.240 -5.569 0.351 1.00 49.53 N ATOM 924 CA ALA A 63 -7.483 -4.139 0.503 1.00 50.07 C ATOM 925 C ALA A 63 -6.380 -3.475 1.319 1.00 50.51 C ATOM 926 O ALA A 63 -5.914 -4.030 2.315 1.00 49.49 O ATOM 927 CB ALA A 63 -8.841 -3.896 1.144 1.00 49.73 C ATOM 0 HA ALA A 63 -7.480 -3.690 -0.490 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -9.007 -2.824 1.250 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -9.622 -4.323 0.515 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -8.869 -4.367 2.127 1.00 49.73 H new ATOM 933 N ALA A 64 -5.967 -2.288 0.892 1.00 49.53 N ATOM 934 CA ALA A 64 -4.901 -1.558 1.568 1.00 50.07 C ATOM 935 C ALA A 64 -5.447 -0.737 2.729 1.00 50.51 C ATOM 936 O ALA A 64 -6.554 -0.205 2.660 1.00 49.49 O ATOM 937 CB ALA A 64 -4.162 -0.664 0.583 1.00 49.73 C ATOM 0 H ALA A 64 -6.355 -1.809 0.079 1.00 49.53 H new ATOM 0 HA ALA A 64 -4.199 -2.286 1.974 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -3.370 -0.126 1.104 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -3.727 -1.275 -0.208 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -4.859 0.051 0.146 1.00 49.73 H new ATOM 943 N GLY A 65 -4.662 -0.637 3.796 1.00 49.53 N ATOM 944 CA GLY A 65 -5.001 0.229 4.919 1.00 49.98 C ATOM 945 C GLY A 65 -3.755 0.871 5.516 1.00 50.51 C ATOM 946 O GLY A 65 -2.657 0.324 5.420 1.00 49.49 O ATOM 0 H GLY A 65 -3.785 -1.146 3.907 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.690 1.006 4.587 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.518 -0.350 5.685 1.00 49.98 H new ATOM 950 N ASN A 66 -3.933 2.034 6.134 1.00 49.53 N ATOM 951 CA ASN A 66 -2.814 2.782 6.696 1.00 50.07 C ATOM 952 C ASN A 66 -1.740 3.037 5.645 1.00 50.51 C ATOM 953 O ASN A 66 -0.596 2.613 5.799 1.00 49.49 O ATOM 954 CB ASN A 66 -2.217 2.070 7.895 1.00 49.82 C ATOM 955 CG ASN A 66 -1.314 2.939 8.727 1.00 50.55 C ATOM 956 OD1 ASN A 66 -1.434 4.169 8.729 1.00 49.45 O ATOM 957 ND2 ASN A 66 -0.361 2.312 9.368 1.00 49.38 N ATOM 0 H ASN A 66 -4.842 2.479 6.258 1.00 49.53 H new ATOM 0 HA ASN A 66 -3.204 3.743 7.031 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -3.025 1.695 8.523 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.654 1.203 7.548 1.00 49.82 H new ATOM 0 HD21 ASN A 66 0.328 2.841 9.902 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -0.307 1.294 9.334 1.00 49.38 H new ATOM 964 N VAL A 67 -2.118 3.732 4.578 1.00 49.53 N ATOM 965 CA VAL A 67 -1.216 3.962 3.455 1.00 50.07 C ATOM 966 C VAL A 67 -0.430 5.254 3.636 1.00 50.51 C ATOM 967 O VAL A 67 -1.011 6.326 3.809 1.00 49.49 O ATOM 968 CB VAL A 67 -1.980 4.020 2.119 1.00 49.91 C ATOM 969 CG1 VAL A 67 -1.026 4.320 0.973 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.716 2.712 1.868 1.00 49.73 C ATOM 0 H VAL A 67 -3.043 4.146 4.467 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.524 3.120 3.430 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.714 4.824 2.177 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.583 4.357 0.037 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.541 5.281 1.145 1.00 49.73 H new ATOM 0 HG13 VAL A 67 -0.270 3.537 0.915 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -3.250 2.771 0.920 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -1.999 1.892 1.830 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.427 2.534 2.675 1.00 49.73 H new ATOM 980 N THR A 68 0.893 5.146 3.594 1.00 49.53 N ATOM 981 CA THR A 68 1.761 6.314 3.691 1.00 50.07 C ATOM 982 C THR A 68 2.993 6.159 2.809 1.00 50.51 C ATOM 983 O THR A 68 3.442 5.044 2.544 1.00 49.49 O ATOM 984 CB THR A 68 2.210 6.567 5.142 1.00 50.14 C ATOM 985 OG1 THR A 68 2.935 7.801 5.213 1.00 49.34 O ATOM 986 CG2 THR A 68 3.098 5.433 5.631 1.00 49.73 C ATOM 0 H THR A 68 1.389 4.260 3.493 1.00 49.53 H new ATOM 0 HA THR A 68 1.177 7.168 3.348 1.00 50.07 H new ATOM 0 HB THR A 68 1.325 6.621 5.776 1.00 50.14 H new ATOM 0 HG1 THR A 68 2.592 8.421 4.536 1.00 49.34 H new ATOM 0 HG21 THR A 68 3.406 5.629 6.658 1.00 49.73 H new ATOM 0 HG22 THR A 68 2.545 4.495 5.591 1.00 49.73 H new ATOM 0 HG23 THR A 68 3.980 5.362 4.995 1.00 49.73 H new ATOM 994 N SER A 69 3.536 7.285 2.356 1.00 49.53 N ATOM 995 CA SER A 69 4.701 7.275 1.481 1.00 50.07 C ATOM 996 C SER A 69 5.866 6.534 2.122 1.00 50.51 C ATOM 997 O SER A 69 6.109 6.659 3.322 1.00 49.49 O ATOM 998 CB SER A 69 5.105 8.696 1.134 1.00 50.05 C ATOM 999 OG SER A 69 6.247 8.735 0.323 1.00 49.34 O ATOM 0 H SER A 69 3.187 8.216 2.581 1.00 49.53 H new ATOM 0 HA SER A 69 4.433 6.748 0.565 1.00 50.07 H new ATOM 0 HB2 SER A 69 4.280 9.192 0.623 1.00 50.05 H new ATOM 0 HB3 SER A 69 5.293 9.254 2.052 1.00 50.05 H new ATOM 0 HG SER A 69 6.473 9.667 0.121 1.00 49.34 H new ATOM 1005 N LEU A 70 6.586 5.761 1.315 1.00 49.53 N ATOM 1006 CA LEU A 70 7.736 5.008 1.800 1.00 50.07 C ATOM 1007 C LEU A 70 9.020 5.815 1.666 1.00 50.51 C ATOM 1008 O LEU A 70 10.101 5.346 2.024 1.00 49.49 O ATOM 1009 CB LEU A 70 7.858 3.680 1.041 1.00 49.82 C ATOM 1010 CG LEU A 70 9.045 2.800 1.453 1.00 49.91 C ATOM 1011 CD1 LEU A 70 8.860 2.310 2.883 1.00 49.73 C ATOM 1012 CD2 LEU A 70 9.165 1.626 0.492 1.00 49.73 C ATOM 0 H LEU A 70 6.392 5.640 0.321 1.00 49.53 H new ATOM 0 HA LEU A 70 7.581 4.798 2.858 1.00 50.07 H new ATOM 0 HB2 LEU A 70 6.938 3.112 1.184 1.00 49.82 H new ATOM 0 HB3 LEU A 70 7.938 3.895 -0.025 1.00 49.82 H new ATOM 0 HG LEU A 70 9.964 3.385 1.409 1.00 49.91 H new ATOM 0 HD11 LEU A 70 9.708 1.686 3.166 1.00 49.73 H new ATOM 0 HD12 LEU A 70 8.798 3.165 3.556 1.00 49.73 H new ATOM 0 HD13 LEU A 70 7.941 1.727 2.952 1.00 49.73 H new ATOM 0 HD21 LEU A 70 10.008 1.001 0.785 1.00 49.73 H new ATOM 0 HD22 LEU A 70 8.249 1.036 0.522 1.00 49.73 H new ATOM 0 HD23 LEU A 70 9.324 1.999 -0.520 1.00 49.73 H new