USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 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 54 THR OG1 : rot 140:sc= 0.367 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.385 X(o=0.75,f=0.5) USER MOD Set 2.1: A 39 ASN : amide:sc= 0.333 K(o=1.4,f=0.36) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.781 K(o=1.4,f=-5.1!) USER MOD Set 2.3: A 69 SER OG : rot 180:sc= 0.324 USER MOD Set 3.1: A 5 MET CE :methyl -125:sc= 0 (180deg=-0.0755) USER MOD Set 3.2: A 27 SER OG : rot 140:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 97:sc= 0.814 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.3 K(o=-1.3,f=-9.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.12) USER MOD Single : A 42 TYR OH : rot -103:sc= 0.0291 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 4 2.202 -6.228 7.227 1.00 49.53 N ATOM 37 CA LYS A 4 2.827 -5.035 6.668 1.00 50.07 C ATOM 38 C LYS A 4 3.515 -5.343 5.343 1.00 50.51 C ATOM 39 O LYS A 4 4.209 -6.351 5.214 1.00 49.49 O ATOM 40 CB LYS A 4 3.831 -4.442 7.656 1.00 49.82 C ATOM 41 CG LYS A 4 3.203 -3.851 8.912 1.00 49.82 C ATOM 42 CD LYS A 4 4.259 -3.257 9.833 1.00 49.82 C ATOM 43 CE LYS A 4 3.637 -2.703 11.105 1.00 50.21 C ATOM 44 NZ LYS A 4 4.659 -2.117 12.015 1.00 49.70 N ATOM 0 HA LYS A 4 2.041 -4.303 6.482 1.00 50.07 H new ATOM 0 HB2 LYS A 4 4.537 -5.219 7.949 1.00 49.82 H new ATOM 0 HB3 LYS A 4 4.404 -3.665 7.151 1.00 49.82 H new ATOM 0 HG2 LYS A 4 2.485 -3.079 8.633 1.00 49.82 H new ATOM 0 HG3 LYS A 4 2.649 -4.625 9.443 1.00 49.82 H new ATOM 0 HD2 LYS A 4 4.993 -4.021 10.088 1.00 49.82 H new ATOM 0 HD3 LYS A 4 4.794 -2.463 9.312 1.00 49.82 H new ATOM 0 HE2 LYS A 4 2.901 -1.941 10.847 1.00 50.21 H new ATOM 0 HE3 LYS A 4 3.103 -3.499 11.624 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 4.193 -1.751 12.870 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 5.347 -2.850 12.282 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 5.152 -1.340 11.529 1.00 49.70 H new ATOM 58 N MET A 5 3.319 -4.468 4.363 1.00 49.53 N ATOM 59 CA MET A 5 3.865 -4.678 3.028 1.00 50.07 C ATOM 60 C MET A 5 4.047 -3.357 2.293 1.00 50.51 C ATOM 61 O MET A 5 3.147 -2.517 2.274 1.00 49.49 O ATOM 62 CB MET A 5 2.957 -5.609 2.227 1.00 49.82 C ATOM 63 CG MET A 5 3.429 -5.881 0.806 1.00 49.86 C ATOM 64 SD MET A 5 4.997 -6.771 0.753 1.00 49.91 S ATOM 65 CE MET A 5 4.462 -8.423 1.189 1.00 49.78 C ATOM 0 H MET A 5 2.785 -3.605 4.469 1.00 49.53 H new ATOM 0 HA MET A 5 4.846 -5.142 3.133 1.00 50.07 H new ATOM 0 HB2 MET A 5 2.873 -6.558 2.756 1.00 49.82 H new ATOM 0 HB3 MET A 5 1.957 -5.176 2.188 1.00 49.82 H new ATOM 0 HG2 MET A 5 2.670 -6.459 0.279 1.00 49.86 H new ATOM 0 HG3 MET A 5 3.535 -4.935 0.275 1.00 49.86 H new ATOM 0 HE1 MET A 5 5.035 -8.777 2.046 1.00 49.78 H new ATOM 0 HE2 MET A 5 3.402 -8.407 1.442 1.00 49.78 H new ATOM 0 HE3 MET A 5 4.623 -9.092 0.344 1.00 49.78 H new ATOM 75 N THR A 6 5.215 -3.178 1.687 1.00 49.53 N ATOM 76 CA THR A 6 5.450 -2.050 0.793 1.00 50.07 C ATOM 77 C THR A 6 5.172 -2.428 -0.656 1.00 50.51 C ATOM 78 O THR A 6 5.169 -3.606 -1.011 1.00 49.49 O ATOM 79 CB THR A 6 6.896 -1.530 0.908 1.00 50.14 C ATOM 80 OG1 THR A 6 7.806 -2.537 0.449 1.00 49.34 O ATOM 81 CG2 THR A 6 7.222 -1.177 2.350 1.00 49.73 C ATOM 0 H THR A 6 6.015 -3.800 1.799 1.00 49.53 H new ATOM 0 HA THR A 6 4.763 -1.260 1.097 1.00 50.07 H new ATOM 0 HB THR A 6 6.994 -0.635 0.294 1.00 50.14 H new ATOM 0 HG1 THR A 6 8.051 -2.356 -0.483 1.00 49.34 H new ATOM 0 HG21 THR A 6 8.247 -0.812 2.412 1.00 49.73 H new ATOM 0 HG22 THR A 6 6.539 -0.402 2.698 1.00 49.73 H new ATOM 0 HG23 THR A 6 7.114 -2.064 2.975 1.00 49.73 H new ATOM 89 N GLY A 7 4.937 -1.420 -1.491 1.00 49.53 N ATOM 90 CA GLY A 7 4.625 -1.647 -2.896 1.00 49.98 C ATOM 91 C GLY A 7 4.685 -0.347 -3.690 1.00 50.51 C ATOM 92 O GLY A 7 5.036 0.703 -3.153 1.00 49.49 O ATOM 0 H GLY A 7 4.957 -0.438 -1.217 1.00 49.53 H new ATOM 0 HA2 GLY A 7 5.329 -2.366 -3.316 1.00 49.98 H new ATOM 0 HA3 GLY A 7 3.631 -2.085 -2.985 1.00 49.98 H new ATOM 96 N ILE A 8 4.341 -0.426 -4.971 1.00 49.53 N ATOM 97 CA ILE A 8 4.352 0.743 -5.840 1.00 50.07 C ATOM 98 C ILE A 8 2.971 1.012 -6.421 1.00 50.51 C ATOM 99 O ILE A 8 2.310 0.103 -6.923 1.00 49.49 O ATOM 100 CB ILE A 8 5.360 0.581 -6.992 1.00 49.91 C ATOM 101 CG1 ILE A 8 6.779 0.422 -6.441 1.00 49.82 C ATOM 102 CG2 ILE A 8 5.284 1.770 -7.937 1.00 49.73 C ATOM 103 CD1 ILE A 8 7.800 0.027 -7.485 1.00 49.73 C ATOM 0 H ILE A 8 4.051 -1.289 -5.430 1.00 49.53 H new ATOM 0 HA ILE A 8 4.653 1.589 -5.222 1.00 50.07 H new ATOM 0 HB ILE A 8 5.105 -0.319 -7.552 1.00 49.91 H new ATOM 0 HG12 ILE A 8 7.088 1.361 -5.982 1.00 49.82 H new ATOM 0 HG13 ILE A 8 6.770 -0.330 -5.652 1.00 49.82 H new ATOM 0 HG21 ILE A 8 6.003 1.639 -8.745 1.00 49.73 H new ATOM 0 HG22 ILE A 8 4.279 1.840 -8.353 1.00 49.73 H new ATOM 0 HG23 ILE A 8 5.515 2.684 -7.391 1.00 49.73 H new ATOM 0 HD11 ILE A 8 8.781 -0.066 -7.018 1.00 49.73 H new ATOM 0 HD12 ILE A 8 7.517 -0.928 -7.928 1.00 49.73 H new ATOM 0 HD13 ILE A 8 7.839 0.790 -8.262 1.00 49.73 H new ATOM 115 N VAL A 9 2.537 2.266 -6.349 1.00 49.53 N ATOM 116 CA VAL A 9 1.237 2.660 -6.881 1.00 50.07 C ATOM 117 C VAL A 9 1.231 2.626 -8.402 1.00 50.51 C ATOM 118 O VAL A 9 1.992 3.344 -9.052 1.00 49.49 O ATOM 119 CB VAL A 9 0.835 4.069 -6.406 1.00 49.91 C ATOM 120 CG1 VAL A 9 -0.514 4.462 -6.986 1.00 49.73 C ATOM 121 CG2 VAL A 9 0.799 4.130 -4.886 1.00 49.73 C ATOM 0 H VAL A 9 3.067 3.028 -5.927 1.00 49.53 H new ATOM 0 HA VAL A 9 0.512 1.939 -6.503 1.00 50.07 H new ATOM 0 HB VAL A 9 1.583 4.778 -6.761 1.00 49.91 H new ATOM 0 HG11 VAL A 9 -0.782 5.460 -6.640 1.00 49.73 H new ATOM 0 HG12 VAL A 9 -0.457 4.459 -8.075 1.00 49.73 H new ATOM 0 HG13 VAL A 9 -1.272 3.749 -6.660 1.00 49.73 H new ATOM 0 HG21 VAL A 9 0.513 5.133 -4.569 1.00 49.73 H new ATOM 0 HG22 VAL A 9 0.072 3.410 -4.510 1.00 49.73 H new ATOM 0 HG23 VAL A 9 1.786 3.891 -4.489 1.00 49.73 H new ATOM 131 N LYS A 10 0.368 1.789 -8.968 1.00 49.53 N ATOM 132 CA LYS A 10 0.282 1.640 -10.416 1.00 50.07 C ATOM 133 C LYS A 10 -0.620 2.706 -11.026 1.00 50.51 C ATOM 134 O LYS A 10 -0.308 3.268 -12.076 1.00 49.49 O ATOM 135 CB LYS A 10 -0.232 0.246 -10.782 1.00 49.82 C ATOM 136 CG LYS A 10 -0.305 -0.026 -12.278 1.00 49.82 C ATOM 137 CD LYS A 10 -0.656 -1.479 -12.559 1.00 49.82 C ATOM 138 CE LYS A 10 -0.710 -1.755 -14.056 1.00 50.21 C ATOM 139 NZ LYS A 10 -0.958 -3.193 -14.347 1.00 49.70 N ATOM 0 H LYS A 10 -0.283 1.203 -8.445 1.00 49.53 H new ATOM 0 HA LYS A 10 1.285 1.766 -10.824 1.00 50.07 H new ATOM 0 HB2 LYS A 10 0.416 -0.499 -10.321 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -1.225 0.114 -10.352 1.00 49.82 H new ATOM 0 HG2 LYS A 10 -1.052 0.625 -12.732 1.00 49.82 H new ATOM 0 HG3 LYS A 10 0.652 0.215 -12.741 1.00 49.82 H new ATOM 0 HD2 LYS A 10 0.083 -2.131 -12.093 1.00 49.82 H new ATOM 0 HD3 LYS A 10 -1.620 -1.717 -12.108 1.00 49.82 H new ATOM 0 HE2 LYS A 10 -1.498 -1.152 -14.508 1.00 50.21 H new ATOM 0 HE3 LYS A 10 0.230 -1.448 -14.516 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 -0.988 -3.339 -15.376 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 -0.193 -3.767 -13.938 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 -1.867 -3.480 -13.931 1.00 49.70 H new ATOM 153 N TRP A 11 -1.738 2.979 -10.362 1.00 49.53 N ATOM 154 CA TRP A 11 -2.663 4.011 -10.813 1.00 50.07 C ATOM 155 C TRP A 11 -3.651 4.383 -9.715 1.00 50.51 C ATOM 156 O TRP A 11 -4.128 3.519 -8.977 1.00 49.49 O ATOM 157 CB TRP A 11 -3.415 3.547 -12.061 1.00 49.82 C ATOM 158 CG TRP A 11 -4.291 4.604 -12.661 1.00 49.97 C ATOM 159 CD1 TRP A 11 -5.650 4.680 -12.578 1.00 50.03 C ATOM 160 CD2 TRP A 11 -3.871 5.736 -13.432 1.00 49.98 C ATOM 161 NE1 TRP A 11 -6.103 5.787 -13.251 1.00 49.39 N ATOM 162 CE2 TRP A 11 -5.028 6.454 -13.784 1.00 50.13 C ATOM 163 CE3 TRP A 11 -2.626 6.212 -13.859 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -4.981 7.614 -14.540 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -2.578 7.376 -14.616 1.00 49.88 C ATOM 166 CH2 TRP A 11 -3.723 8.058 -14.946 1.00 49.88 C ATOM 0 H TRP A 11 -2.025 2.499 -9.509 1.00 49.53 H new ATOM 0 HA TRP A 11 -2.079 4.897 -11.060 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -2.693 3.218 -12.808 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -4.027 2.682 -11.806 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -6.278 3.972 -12.058 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -7.079 6.068 -13.341 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -1.719 5.684 -13.605 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -5.880 8.151 -14.804 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -1.622 7.751 -14.951 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -3.648 8.960 -15.534 1.00 49.88 H new ATOM 177 N PHE A 12 -3.958 5.672 -9.612 1.00 49.53 N ATOM 178 CA PHE A 12 -4.900 6.156 -8.611 1.00 50.07 C ATOM 179 C PHE A 12 -5.823 7.221 -9.192 1.00 50.51 C ATOM 180 O PHE A 12 -5.383 8.323 -9.521 1.00 49.49 O ATOM 181 CB PHE A 12 -4.153 6.715 -7.399 1.00 49.82 C ATOM 182 CG PHE A 12 -5.030 6.964 -6.206 1.00 50.00 C ATOM 183 CD1 PHE A 12 -5.753 8.143 -6.093 1.00 49.88 C ATOM 184 CD2 PHE A 12 -5.139 6.020 -5.196 1.00 49.88 C ATOM 185 CE1 PHE A 12 -6.561 8.374 -4.996 1.00 49.88 C ATOM 186 CE2 PHE A 12 -5.948 6.249 -4.098 1.00 49.88 C ATOM 187 CZ PHE A 12 -6.657 7.426 -3.998 1.00 49.88 C ATOM 0 H PHE A 12 -3.568 6.400 -10.210 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.511 5.311 -8.293 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.363 6.018 -7.118 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -3.668 7.649 -7.682 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -5.683 8.889 -6.871 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -4.586 5.095 -5.268 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -7.117 9.297 -4.920 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -6.024 5.505 -3.319 1.00 49.88 H new ATOM 0 HZ PHE A 12 -7.287 7.606 -3.140 1.00 49.88 H new ATOM 197 N ASN A 13 -7.101 6.884 -9.318 1.00 49.53 N ATOM 198 CA ASN A 13 -8.107 7.843 -9.758 1.00 50.07 C ATOM 199 C ASN A 13 -8.595 8.702 -8.599 1.00 50.51 C ATOM 200 O ASN A 13 -9.432 8.273 -7.804 1.00 49.49 O ATOM 201 CB ASN A 13 -9.279 7.149 -10.427 1.00 49.82 C ATOM 202 CG ASN A 13 -10.271 8.097 -11.046 1.00 50.55 C ATOM 203 OD1 ASN A 13 -10.329 9.280 -10.697 1.00 49.45 O ATOM 204 ND2 ASN A 13 -11.102 7.563 -11.904 1.00 49.38 N ATOM 0 H ASN A 13 -7.466 5.952 -9.121 1.00 49.53 H new ATOM 0 HA ASN A 13 -7.632 8.494 -10.492 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -8.900 6.479 -11.199 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -9.792 6.530 -9.691 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -11.842 8.130 -12.318 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -11.010 6.580 -12.159 1.00 49.38 H new ATOM 211 N ALA A 14 -8.065 9.917 -8.506 1.00 49.53 N ATOM 212 CA ALA A 14 -8.334 10.785 -7.365 1.00 50.07 C ATOM 213 C ALA A 14 -9.735 11.376 -7.442 1.00 50.51 C ATOM 214 O ALA A 14 -10.314 11.760 -6.425 1.00 49.49 O ATOM 215 CB ALA A 14 -7.292 11.891 -7.284 1.00 49.73 C ATOM 0 H ALA A 14 -7.446 10.323 -9.208 1.00 49.53 H new ATOM 0 HA ALA A 14 -8.275 10.181 -6.460 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -7.506 12.531 -6.428 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -6.302 11.450 -7.169 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -7.321 12.486 -8.197 1.00 49.73 H new ATOM 221 N ASP A 15 -10.277 11.448 -8.653 1.00 49.53 N ATOM 222 CA ASP A 15 -11.602 12.016 -8.866 1.00 50.07 C ATOM 223 C ASP A 15 -12.671 11.209 -8.138 1.00 50.51 C ATOM 224 O ASP A 15 -13.694 11.752 -7.720 1.00 49.49 O ATOM 225 CB ASP A 15 -11.923 12.082 -10.363 1.00 49.72 C ATOM 226 CG ASP A 15 -11.162 13.159 -11.121 1.00 50.62 C ATOM 227 OD1 ASP A 15 -10.570 14.001 -10.487 1.00 49.24 O ATOM 228 OD2 ASP A 15 -11.048 13.047 -12.318 1.00 49.24 O ATOM 0 H ASP A 15 -9.818 11.119 -9.503 1.00 49.53 H new ATOM 0 HA ASP A 15 -11.600 13.027 -8.458 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -11.703 11.114 -10.813 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -12.992 12.255 -10.486 1.00 49.72 H new ATOM 233 N LYS A 16 -12.427 9.912 -7.989 1.00 49.53 N ATOM 234 CA LYS A 16 -13.352 9.036 -7.279 1.00 50.07 C ATOM 235 C LYS A 16 -12.761 8.566 -5.956 1.00 50.51 C ATOM 236 O LYS A 16 -13.491 8.229 -5.025 1.00 49.49 O ATOM 237 CB LYS A 16 -13.721 7.832 -8.149 1.00 49.82 C ATOM 238 CG LYS A 16 -14.368 8.190 -9.479 1.00 49.82 C ATOM 239 CD LYS A 16 -15.724 8.851 -9.275 1.00 49.82 C ATOM 240 CE LYS A 16 -16.433 9.084 -10.601 1.00 50.21 C ATOM 241 NZ LYS A 16 -17.741 9.769 -10.420 1.00 49.70 N ATOM 0 H LYS A 16 -11.596 9.444 -8.350 1.00 49.53 H new ATOM 0 HA LYS A 16 -14.255 9.608 -7.063 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -12.820 7.250 -8.343 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -14.401 7.190 -7.589 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -13.714 8.862 -10.035 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -14.487 7.290 -10.082 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -16.344 8.223 -8.635 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -15.593 9.802 -8.759 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -15.797 9.683 -11.252 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -16.590 8.128 -11.101 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -18.191 9.909 -11.347 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -18.358 9.186 -9.820 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -17.589 10.692 -9.966 1.00 49.70 H new ATOM 255 N GLY A 17 -11.435 8.546 -5.882 1.00 49.53 N ATOM 256 CA GLY A 17 -10.743 8.238 -4.635 1.00 49.98 C ATOM 257 C GLY A 17 -10.444 6.748 -4.523 1.00 50.51 C ATOM 258 O GLY A 17 -10.696 6.132 -3.489 1.00 49.49 O ATOM 0 H GLY A 17 -10.817 8.739 -6.670 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -9.812 8.803 -4.584 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -11.354 8.553 -3.789 1.00 49.98 H new ATOM 262 N PHE A 18 -9.908 6.176 -5.595 1.00 49.53 N ATOM 263 CA PHE A 18 -9.474 4.783 -5.584 1.00 50.07 C ATOM 264 C PHE A 18 -8.276 4.573 -6.499 1.00 50.51 C ATOM 265 O PHE A 18 -8.000 5.392 -7.377 1.00 49.49 O ATOM 266 CB PHE A 18 -10.623 3.864 -5.999 1.00 49.82 C ATOM 267 CG PHE A 18 -10.948 3.925 -7.464 1.00 50.00 C ATOM 268 CD1 PHE A 18 -10.315 3.083 -8.367 1.00 49.88 C ATOM 269 CD2 PHE A 18 -11.888 4.825 -7.944 1.00 49.88 C ATOM 270 CE1 PHE A 18 -10.615 3.139 -9.716 1.00 49.88 C ATOM 271 CE2 PHE A 18 -12.189 4.883 -9.291 1.00 49.88 C ATOM 272 CZ PHE A 18 -11.551 4.040 -10.177 1.00 49.88 C ATOM 0 H PHE A 18 -9.763 6.655 -6.484 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.171 4.534 -4.567 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -10.369 2.837 -5.735 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -11.513 4.129 -5.428 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -9.580 2.376 -8.012 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -12.391 5.489 -7.256 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -10.116 2.477 -10.408 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -12.924 5.588 -9.650 1.00 49.88 H new ATOM 0 HZ PHE A 18 -11.784 4.086 -11.230 1.00 49.88 H new ATOM 282 N GLY A 19 -7.565 3.470 -6.291 1.00 49.53 N ATOM 283 CA GLY A 19 -6.400 3.142 -7.104 1.00 49.98 C ATOM 284 C GLY A 19 -5.949 1.708 -6.869 1.00 50.51 C ATOM 285 O GLY A 19 -6.650 0.923 -6.230 1.00 49.49 O ATOM 0 H GLY A 19 -7.776 2.786 -5.564 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -6.638 3.283 -8.158 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -5.585 3.826 -6.868 1.00 49.98 H new ATOM 289 N PHE A 20 -4.775 1.369 -7.390 1.00 49.53 N ATOM 290 CA PHE A 20 -4.300 -0.010 -7.378 1.00 50.07 C ATOM 291 C PHE A 20 -2.801 -0.075 -7.114 1.00 50.51 C ATOM 292 O PHE A 20 -2.016 0.621 -7.759 1.00 49.49 O ATOM 293 CB PHE A 20 -4.630 -0.698 -8.704 1.00 49.82 C ATOM 294 CG PHE A 20 -4.044 -2.075 -8.835 1.00 50.00 C ATOM 295 CD1 PHE A 20 -4.600 -3.149 -8.156 1.00 49.88 C ATOM 296 CD2 PHE A 20 -2.935 -2.300 -9.635 1.00 49.88 C ATOM 297 CE1 PHE A 20 -4.061 -4.416 -8.275 1.00 49.88 C ATOM 298 CE2 PHE A 20 -2.394 -3.565 -9.756 1.00 49.88 C ATOM 299 CZ PHE A 20 -2.958 -4.624 -9.075 1.00 49.88 C ATOM 0 H PHE A 20 -4.134 2.031 -7.827 1.00 49.53 H new ATOM 0 HA PHE A 20 -4.810 -0.532 -6.569 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -5.713 -0.763 -8.809 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -4.266 -0.079 -9.524 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -5.464 -2.993 -7.527 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -2.488 -1.476 -10.171 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -4.504 -5.243 -7.741 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -1.530 -3.725 -10.384 1.00 49.88 H new ATOM 0 HZ PHE A 20 -2.536 -5.614 -9.169 1.00 49.88 H new ATOM 309 N ILE A 21 -2.410 -0.915 -6.162 1.00 49.53 N ATOM 310 CA ILE A 21 -1.019 -0.992 -5.733 1.00 50.07 C ATOM 311 C ILE A 21 -0.471 -2.404 -5.893 1.00 50.51 C ATOM 312 O ILE A 21 -1.127 -3.380 -5.531 1.00 49.49 O ATOM 313 CB ILE A 21 -0.853 -0.549 -4.267 1.00 49.91 C ATOM 314 CG1 ILE A 21 -1.309 0.901 -4.093 1.00 49.82 C ATOM 315 CG2 ILE A 21 0.591 -0.715 -3.821 1.00 49.73 C ATOM 316 CD1 ILE A 21 -1.379 1.350 -2.650 1.00 49.73 C ATOM 0 H ILE A 21 -3.038 -1.553 -5.672 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.455 -0.313 -6.373 1.00 50.07 H new ATOM 0 HB ILE A 21 -1.479 -1.183 -3.640 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -0.625 1.555 -4.634 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -2.292 1.020 -4.549 1.00 49.82 H new ATOM 0 HG21 ILE A 21 0.690 -0.397 -2.783 1.00 49.73 H new ATOM 0 HG22 ILE A 21 0.881 -1.762 -3.909 1.00 49.73 H new ATOM 0 HG23 ILE A 21 1.239 -0.105 -4.451 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -1.710 2.388 -2.607 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -2.085 0.722 -2.107 1.00 49.73 H new ATOM 0 HD13 ILE A 21 -0.393 1.264 -2.194 1.00 49.73 H new ATOM 328 N THR A 22 0.737 -2.506 -6.436 1.00 49.53 N ATOM 329 CA THR A 22 1.412 -3.793 -6.568 1.00 50.07 C ATOM 330 C THR A 22 2.551 -3.923 -5.564 1.00 50.51 C ATOM 331 O THR A 22 3.485 -3.122 -5.564 1.00 49.49 O ATOM 332 CB THR A 22 1.969 -3.996 -7.989 1.00 50.14 C ATOM 333 OG1 THR A 22 0.892 -3.967 -8.936 1.00 49.34 O ATOM 334 CG2 THR A 22 2.693 -5.328 -8.092 1.00 49.73 C ATOM 0 H THR A 22 1.270 -1.713 -6.792 1.00 49.53 H new ATOM 0 HA THR A 22 0.665 -4.561 -6.367 1.00 50.07 H new ATOM 0 HB THR A 22 2.674 -3.193 -8.205 1.00 50.14 H new ATOM 0 HG1 THR A 22 1.248 -4.095 -9.840 1.00 49.34 H new ATOM 0 HG21 THR A 22 3.080 -5.455 -9.103 1.00 49.73 H new ATOM 0 HG22 THR A 22 3.520 -5.349 -7.382 1.00 49.73 H new ATOM 0 HG23 THR A 22 1.999 -6.138 -7.865 1.00 49.73 H new ATOM 342 N PRO A 23 2.465 -4.936 -4.710 1.00 49.71 N ATOM 343 CA PRO A 23 3.457 -5.139 -3.660 1.00 50.02 C ATOM 344 C PRO A 23 4.847 -5.346 -4.249 1.00 50.51 C ATOM 345 O PRO A 23 4.996 -5.922 -5.326 1.00 49.49 O ATOM 346 CB PRO A 23 2.958 -6.381 -2.905 1.00 49.82 C ATOM 347 CG PRO A 23 1.478 -6.428 -3.172 1.00 49.82 C ATOM 348 CD PRO A 23 1.445 -5.992 -4.719 1.00 50.00 C ATOM 0 HA PRO A 23 3.556 -4.277 -3.001 1.00 50.02 H new ATOM 0 HB2 PRO A 23 3.453 -7.285 -3.261 1.00 49.82 H new ATOM 0 HB3 PRO A 23 3.165 -6.304 -1.838 1.00 49.82 H new ATOM 0 HG2 PRO A 23 1.059 -7.422 -3.012 1.00 49.82 H new ATOM 0 HG3 PRO A 23 0.920 -5.741 -2.536 1.00 49.82 H new ATOM 0 HD2 PRO A 23 1.701 -6.813 -5.389 1.00 50.00 H new ATOM 0 HD3 PRO A 23 0.467 -5.623 -5.027 1.00 50.00 H new ATOM 356 N ASP A 24 5.863 -4.870 -3.536 1.00 49.53 N ATOM 357 CA ASP A 24 7.239 -4.966 -4.005 1.00 50.07 C ATOM 358 C ASP A 24 7.693 -6.417 -4.093 1.00 50.51 C ATOM 359 O ASP A 24 8.479 -6.780 -4.970 1.00 49.49 O ATOM 360 CB ASP A 24 8.176 -4.179 -3.086 1.00 49.72 C ATOM 361 CG ASP A 24 8.099 -2.667 -3.254 1.00 50.62 C ATOM 362 OD1 ASP A 24 7.601 -2.226 -4.262 1.00 49.24 O ATOM 363 OD2 ASP A 24 8.391 -1.969 -2.312 1.00 49.24 O ATOM 0 H ASP A 24 5.758 -4.413 -2.630 1.00 49.53 H new ATOM 0 HA ASP A 24 7.278 -4.535 -5.005 1.00 50.07 H new ATOM 0 HB2 ASP A 24 7.945 -4.430 -2.051 1.00 49.72 H new ATOM 0 HB3 ASP A 24 9.201 -4.501 -3.270 1.00 49.72 H new ATOM 368 N ASP A 25 7.191 -7.245 -3.183 1.00 49.53 N ATOM 369 CA ASP A 25 7.575 -8.650 -3.131 1.00 50.07 C ATOM 370 C ASP A 25 6.860 -9.456 -4.210 1.00 50.51 C ATOM 371 O ASP A 25 7.186 -10.619 -4.448 1.00 49.49 O ATOM 372 CB ASP A 25 7.274 -9.239 -1.752 1.00 49.72 C ATOM 373 CG ASP A 25 8.210 -8.765 -0.647 1.00 50.62 C ATOM 374 OD1 ASP A 25 9.224 -8.190 -0.962 1.00 49.24 O ATOM 375 OD2 ASP A 25 7.831 -8.838 0.496 1.00 49.24 O ATOM 0 H ASP A 25 6.516 -6.966 -2.471 1.00 49.53 H new ATOM 0 HA ASP A 25 8.648 -8.708 -3.314 1.00 50.07 H new ATOM 0 HB2 ASP A 25 6.250 -8.985 -1.478 1.00 49.72 H new ATOM 0 HB3 ASP A 25 7.327 -10.326 -1.815 1.00 49.72 H new ATOM 380 N GLY A 26 5.886 -8.829 -4.862 1.00 49.53 N ATOM 381 CA GLY A 26 5.110 -9.494 -5.901 1.00 49.98 C ATOM 382 C GLY A 26 3.990 -10.334 -5.301 1.00 50.51 C ATOM 383 O GLY A 26 3.418 -11.194 -5.971 1.00 49.49 O ATOM 0 H GLY A 26 5.616 -7.861 -4.689 1.00 49.53 H new ATOM 0 HA2 GLY A 26 4.688 -8.749 -6.576 1.00 49.98 H new ATOM 0 HA3 GLY A 26 5.765 -10.129 -6.497 1.00 49.98 H new ATOM 387 N SER A 27 3.682 -10.082 -4.035 1.00 49.53 N ATOM 388 CA SER A 27 2.614 -10.799 -3.349 1.00 50.07 C ATOM 389 C SER A 27 1.246 -10.397 -3.885 1.00 50.51 C ATOM 390 O SER A 27 1.144 -9.580 -4.801 1.00 49.49 O ATOM 391 CB SER A 27 2.689 -10.544 -1.855 1.00 50.05 C ATOM 392 OG SER A 27 2.347 -9.227 -1.527 1.00 49.34 O ATOM 0 H SER A 27 4.157 -9.385 -3.461 1.00 49.53 H new ATOM 0 HA SER A 27 2.748 -11.864 -3.536 1.00 50.07 H new ATOM 0 HB2 SER A 27 2.021 -11.231 -1.337 1.00 50.05 H new ATOM 0 HB3 SER A 27 3.699 -10.754 -1.502 1.00 50.05 H new ATOM 0 HG SER A 27 1.805 -9.223 -0.710 1.00 49.34 H new ATOM 398 N LYS A 28 0.197 -10.975 -3.312 1.00 49.53 N ATOM 399 CA LYS A 28 -1.164 -10.714 -3.764 1.00 50.07 C ATOM 400 C LYS A 28 -1.416 -9.220 -3.920 1.00 50.51 C ATOM 401 O LYS A 28 -1.280 -8.455 -2.966 1.00 49.49 O ATOM 402 CB LYS A 28 -2.178 -11.319 -2.791 1.00 49.82 C ATOM 403 CG LYS A 28 -3.629 -11.197 -3.238 1.00 49.82 C ATOM 404 CD LYS A 28 -3.886 -11.993 -4.508 1.00 49.82 C ATOM 405 CE LYS A 28 -5.345 -11.904 -4.932 1.00 50.21 C ATOM 406 NZ LYS A 28 -5.611 -12.678 -6.175 1.00 49.70 N ATOM 0 H LYS A 28 0.263 -11.629 -2.532 1.00 49.53 H new ATOM 0 HA LYS A 28 -1.286 -11.184 -4.740 1.00 50.07 H new ATOM 0 HB2 LYS A 28 -1.942 -12.374 -2.648 1.00 49.82 H new ATOM 0 HB3 LYS A 28 -2.067 -10.834 -1.821 1.00 49.82 H new ATOM 0 HG2 LYS A 28 -4.287 -11.552 -2.445 1.00 49.82 H new ATOM 0 HG3 LYS A 28 -3.872 -10.148 -3.408 1.00 49.82 H new ATOM 0 HD2 LYS A 28 -3.249 -11.619 -5.309 1.00 49.82 H new ATOM 0 HD3 LYS A 28 -3.615 -13.036 -4.347 1.00 49.82 H new ATOM 0 HE2 LYS A 28 -5.980 -12.278 -4.129 1.00 50.21 H new ATOM 0 HE3 LYS A 28 -5.614 -10.860 -5.090 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 -6.616 -12.591 -6.430 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 -5.024 -12.305 -6.948 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 -5.379 -13.679 -6.017 1.00 49.70 H new ATOM 420 N ASP A 29 -1.785 -8.811 -5.129 1.00 49.53 N ATOM 421 CA ASP A 29 -1.992 -7.398 -5.431 1.00 50.07 C ATOM 422 C ASP A 29 -3.164 -6.833 -4.638 1.00 50.51 C ATOM 423 O ASP A 29 -4.107 -7.555 -4.306 1.00 49.49 O ATOM 424 CB ASP A 29 -2.225 -7.198 -6.929 1.00 49.72 C ATOM 425 CG ASP A 29 -0.998 -7.451 -7.795 1.00 50.62 C ATOM 426 OD1 ASP A 29 0.070 -7.599 -7.251 1.00 49.24 O ATOM 427 OD2 ASP A 29 -1.161 -7.648 -8.976 1.00 49.24 O ATOM 0 H ASP A 29 -1.947 -9.438 -5.917 1.00 49.53 H new ATOM 0 HA ASP A 29 -1.091 -6.859 -5.139 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -3.026 -7.863 -7.252 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -2.570 -6.178 -7.098 1.00 49.72 H new ATOM 432 N VAL A 30 -3.101 -5.541 -4.338 1.00 49.53 N ATOM 433 CA VAL A 30 -4.074 -4.912 -3.453 1.00 50.07 C ATOM 434 C VAL A 30 -4.693 -3.679 -4.099 1.00 50.51 C ATOM 435 O VAL A 30 -4.063 -3.018 -4.925 1.00 49.49 O ATOM 436 CB VAL A 30 -3.436 -4.509 -2.109 1.00 49.91 C ATOM 437 CG1 VAL A 30 -2.933 -5.740 -1.368 1.00 49.73 C ATOM 438 CG2 VAL A 30 -2.300 -3.523 -2.333 1.00 49.73 C ATOM 0 H VAL A 30 -2.385 -4.908 -4.695 1.00 49.53 H new ATOM 0 HA VAL A 30 -4.854 -5.651 -3.269 1.00 50.07 H new ATOM 0 HB VAL A 30 -4.198 -4.025 -1.498 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -2.486 -5.437 -0.421 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -3.767 -6.415 -1.176 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -2.186 -6.250 -1.976 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -1.861 -3.249 -1.373 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -1.538 -3.983 -2.963 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -2.685 -2.629 -2.824 1.00 49.73 H new ATOM 448 N PHE A 31 -5.929 -3.375 -3.719 1.00 49.53 N ATOM 449 CA PHE A 31 -6.570 -2.130 -4.122 1.00 50.07 C ATOM 450 C PHE A 31 -6.615 -1.134 -2.970 1.00 50.51 C ATOM 451 O PHE A 31 -6.634 -1.523 -1.801 1.00 49.49 O ATOM 452 CB PHE A 31 -7.984 -2.400 -4.640 1.00 49.82 C ATOM 453 CG PHE A 31 -8.020 -3.079 -5.979 1.00 50.00 C ATOM 454 CD1 PHE A 31 -7.917 -4.459 -6.075 1.00 49.88 C ATOM 455 CD2 PHE A 31 -8.154 -2.340 -7.144 1.00 49.88 C ATOM 456 CE1 PHE A 31 -7.950 -5.084 -7.309 1.00 49.88 C ATOM 457 CE2 PHE A 31 -8.187 -2.962 -8.376 1.00 49.88 C ATOM 458 CZ PHE A 31 -8.085 -4.336 -8.459 1.00 49.88 C ATOM 0 H PHE A 31 -6.508 -3.975 -3.131 1.00 49.53 H new ATOM 0 HA PHE A 31 -5.976 -1.694 -4.925 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -8.514 -3.018 -3.915 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -8.523 -1.455 -4.708 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -7.810 -5.051 -5.178 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -8.234 -1.264 -7.087 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -7.870 -6.159 -7.371 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -8.293 -2.373 -9.275 1.00 49.88 H new ATOM 0 HZ PHE A 31 -8.111 -4.824 -9.422 1.00 49.88 H new ATOM 468 N VAL A 32 -6.633 0.151 -3.305 1.00 49.53 N ATOM 469 CA VAL A 32 -6.527 1.206 -2.304 1.00 50.07 C ATOM 470 C VAL A 32 -7.564 2.296 -2.539 1.00 50.51 C ATOM 471 O VAL A 32 -7.833 2.675 -3.680 1.00 49.49 O ATOM 472 CB VAL A 32 -5.123 1.841 -2.297 1.00 49.91 C ATOM 473 CG1 VAL A 32 -4.805 2.444 -3.658 1.00 49.73 C ATOM 474 CG2 VAL A 32 -5.022 2.898 -1.209 1.00 49.73 C ATOM 0 H VAL A 32 -6.720 0.488 -4.264 1.00 49.53 H new ATOM 0 HA VAL A 32 -6.709 0.738 -1.337 1.00 50.07 H new ATOM 0 HB VAL A 32 -4.392 1.060 -2.087 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -3.810 2.888 -3.636 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -4.837 1.664 -4.418 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -5.540 3.213 -3.896 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -4.024 3.336 -1.219 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -5.762 3.678 -1.389 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -5.208 2.439 -0.238 1.00 49.73 H new ATOM 484 N HIS A 33 -8.146 2.795 -1.454 1.00 49.53 N ATOM 485 CA HIS A 33 -9.068 3.923 -1.530 1.00 50.07 C ATOM 486 C HIS A 33 -8.510 5.140 -0.804 1.00 50.51 C ATOM 487 O HIS A 33 -7.603 5.022 0.019 1.00 49.49 O ATOM 488 CB HIS A 33 -10.434 3.546 -0.946 1.00 49.92 C ATOM 489 CG HIS A 33 -11.125 2.448 -1.694 1.00 50.22 C ATOM 490 ND1 HIS A 33 -11.858 2.675 -2.840 1.00 49.30 N ATOM 491 CD2 HIS A 33 -11.197 1.116 -1.459 1.00 49.95 C ATOM 492 CE1 HIS A 33 -12.349 1.528 -3.278 1.00 50.25 C ATOM 493 NE2 HIS A 33 -11.962 0.570 -2.459 1.00 49.64 N ATOM 0 H HIS A 33 -7.996 2.436 -0.511 1.00 49.53 H new ATOM 0 HA HIS A 33 -9.192 4.178 -2.583 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -10.304 3.241 0.092 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -11.073 4.429 -0.941 1.00 49.92 H new ATOM 0 HD2 HIS A 33 -10.739 0.584 -0.639 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -12.963 1.398 -4.157 1.00 50.25 H new ATOM 0 HE2 HIS A 33 -12.194 -0.419 -2.554 1.00 49.64 H new ATOM 501 N PHE A 34 -9.058 6.310 -1.115 1.00 49.53 N ATOM 502 CA PHE A 34 -8.578 7.559 -0.533 1.00 50.07 C ATOM 503 C PHE A 34 -8.705 7.544 0.985 1.00 50.51 C ATOM 504 O PHE A 34 -7.953 8.222 1.686 1.00 49.49 O ATOM 505 CB PHE A 34 -9.347 8.747 -1.114 1.00 49.82 C ATOM 506 CG PHE A 34 -10.704 8.950 -0.502 1.00 50.00 C ATOM 507 CD1 PHE A 34 -11.817 8.307 -1.020 1.00 49.88 C ATOM 508 CD2 PHE A 34 -10.868 9.782 0.595 1.00 49.88 C ATOM 509 CE1 PHE A 34 -13.065 8.492 -0.461 1.00 49.88 C ATOM 510 CE2 PHE A 34 -12.117 9.968 1.159 1.00 49.88 C ATOM 511 CZ PHE A 34 -13.215 9.323 0.632 1.00 49.88 C ATOM 0 H PHE A 34 -9.835 6.420 -1.767 1.00 49.53 H new ATOM 0 HA PHE A 34 -7.522 7.662 -0.784 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -8.757 9.653 -0.975 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -9.461 8.603 -2.188 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -11.706 7.653 -1.872 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -10.012 10.290 1.013 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -13.924 7.987 -0.878 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -12.232 10.619 2.013 1.00 49.88 H new ATOM 0 HZ PHE A 34 -14.190 9.467 1.073 1.00 49.88 H new ATOM 521 N SER A 35 -9.658 6.767 1.486 1.00 49.53 N ATOM 522 CA SER A 35 -9.902 6.683 2.922 1.00 50.07 C ATOM 523 C SER A 35 -8.813 5.877 3.619 1.00 50.51 C ATOM 524 O SER A 35 -8.663 5.947 4.839 1.00 49.49 O ATOM 525 CB SER A 35 -11.264 6.071 3.184 1.00 50.05 C ATOM 526 OG SER A 35 -11.322 4.727 2.791 1.00 49.34 O ATOM 0 H SER A 35 -10.275 6.185 0.919 1.00 49.53 H new ATOM 0 HA SER A 35 -9.883 7.693 3.331 1.00 50.07 H new ATOM 0 HB2 SER A 35 -11.498 6.148 4.246 1.00 50.05 H new ATOM 0 HB3 SER A 35 -12.025 6.638 2.648 1.00 50.05 H new ATOM 0 HG SER A 35 -12.215 4.370 2.978 1.00 49.34 H new ATOM 532 N ALA A 36 -8.059 5.113 2.839 1.00 49.53 N ATOM 533 CA ALA A 36 -6.970 4.306 3.377 1.00 50.07 C ATOM 534 C ALA A 36 -5.679 5.109 3.463 1.00 50.51 C ATOM 535 O ALA A 36 -4.692 4.657 4.043 1.00 49.49 O ATOM 536 CB ALA A 36 -6.768 3.057 2.532 1.00 49.73 C ATOM 0 H ALA A 36 -8.182 5.035 1.829 1.00 49.53 H new ATOM 0 HA ALA A 36 -7.242 4.003 4.388 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -5.952 2.465 2.947 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -7.683 2.465 2.534 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -6.524 3.345 1.509 1.00 49.73 H new ATOM 542 N ILE A 37 -5.692 6.304 2.881 1.00 49.53 N ATOM 543 CA ILE A 37 -4.509 7.157 2.855 1.00 50.07 C ATOM 544 C ILE A 37 -4.384 7.963 4.141 1.00 50.51 C ATOM 545 O ILE A 37 -5.280 8.728 4.495 1.00 49.49 O ATOM 546 CB ILE A 37 -4.533 8.120 1.656 1.00 49.91 C ATOM 547 CG1 ILE A 37 -4.567 7.335 0.341 1.00 49.82 C ATOM 548 CG2 ILE A 37 -3.328 9.048 1.693 1.00 49.73 C ATOM 549 CD1 ILE A 37 -4.799 8.196 -0.879 1.00 49.73 C ATOM 0 H ILE A 37 -6.510 6.704 2.421 1.00 49.53 H new ATOM 0 HA ILE A 37 -3.647 6.497 2.759 1.00 50.07 H new ATOM 0 HB ILE A 37 -5.436 8.728 1.719 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -3.624 6.801 0.223 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -5.354 6.583 0.398 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -3.362 9.722 0.837 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -3.345 9.630 2.614 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -2.413 8.457 1.654 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -4.810 7.569 -1.770 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -5.756 8.710 -0.785 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -3.999 8.931 -0.963 1.00 49.73 H new ATOM 561 N GLN A 38 -3.264 7.789 4.837 1.00 49.53 N ATOM 562 CA GLN A 38 -3.059 8.431 6.130 1.00 50.07 C ATOM 563 C GLN A 38 -2.300 9.744 5.977 1.00 50.51 C ATOM 564 O GLN A 38 -2.125 10.486 6.944 1.00 49.49 O ATOM 565 CB GLN A 38 -2.295 7.500 7.075 1.00 49.82 C ATOM 566 CG GLN A 38 -2.981 6.169 7.326 1.00 49.82 C ATOM 567 CD GLN A 38 -4.361 6.335 7.935 1.00 50.55 C ATOM 568 OE1 GLN A 38 -4.544 7.084 8.898 1.00 49.45 O ATOM 569 NE2 GLN A 38 -5.342 5.633 7.377 1.00 49.38 N ATOM 0 H GLN A 38 -2.485 7.209 4.526 1.00 49.53 H new ATOM 0 HA GLN A 38 -4.040 8.645 6.554 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -1.304 7.313 6.660 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -2.151 8.007 8.029 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -3.065 5.624 6.386 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -2.364 5.565 7.991 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -5.146 5.025 6.582 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -6.291 5.702 7.744 1.00 49.38 H new ATOM 578 N ASN A 39 -1.851 10.024 4.759 1.00 49.53 N ATOM 579 CA ASN A 39 -1.157 11.273 4.467 1.00 50.07 C ATOM 580 C ASN A 39 -2.107 12.462 4.538 1.00 50.51 C ATOM 581 O ASN A 39 -3.297 12.335 4.252 1.00 49.49 O ATOM 582 CB ASN A 39 -0.478 11.225 3.110 1.00 49.82 C ATOM 583 CG ASN A 39 0.719 10.317 3.064 1.00 50.55 C ATOM 584 OD1 ASN A 39 1.318 9.991 4.095 1.00 49.45 O ATOM 585 ND2 ASN A 39 1.120 9.969 1.867 1.00 49.38 N ATOM 0 H ASN A 39 -1.955 9.402 3.957 1.00 49.53 H new ATOM 0 HA ASN A 39 -0.388 11.400 5.229 1.00 50.07 H new ATOM 0 HB2 ASN A 39 -1.201 10.896 2.363 1.00 49.82 H new ATOM 0 HB3 ASN A 39 -0.169 12.233 2.832 1.00 49.82 H new ATOM 0 HD21 ASN A 39 1.962 9.404 1.755 1.00 49.38 H new ATOM 0 HD22 ASN A 39 0.591 10.263 1.046 1.00 49.38 H new ATOM 592 N ASP A 40 -1.573 13.616 4.923 1.00 49.53 N ATOM 593 CA ASP A 40 -2.381 14.820 5.078 1.00 50.07 C ATOM 594 C ASP A 40 -2.619 15.498 3.735 1.00 50.51 C ATOM 595 O ASP A 40 -2.142 15.036 2.700 1.00 49.49 O ATOM 596 CB ASP A 40 -1.711 15.794 6.048 1.00 49.72 C ATOM 597 CG ASP A 40 -0.407 16.392 5.539 1.00 50.62 C ATOM 598 OD1 ASP A 40 -0.151 16.295 4.362 1.00 49.24 O ATOM 599 OD2 ASP A 40 0.247 17.074 6.293 1.00 49.24 O ATOM 0 H ASP A 40 -0.583 13.743 5.134 1.00 49.53 H new ATOM 0 HA ASP A 40 -3.347 14.524 5.487 1.00 50.07 H new ATOM 0 HB2 ASP A 40 -2.406 16.604 6.268 1.00 49.72 H new ATOM 0 HB3 ASP A 40 -1.517 15.276 6.987 1.00 49.72 H new ATOM 604 N GLY A 41 -3.364 16.599 3.759 1.00 49.53 N ATOM 605 CA GLY A 41 -3.700 17.323 2.539 1.00 49.98 C ATOM 606 C GLY A 41 -4.674 16.529 1.678 1.00 50.51 C ATOM 607 O GLY A 41 -5.354 15.625 2.165 1.00 49.49 O ATOM 0 H GLY A 41 -3.746 17.009 4.611 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -4.139 18.287 2.794 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -2.792 17.527 1.972 1.00 49.98 H new ATOM 611 N TYR A 42 -4.737 16.872 0.396 1.00 49.53 N ATOM 612 CA TYR A 42 -5.572 16.143 -0.551 1.00 50.07 C ATOM 613 C TYR A 42 -5.134 14.688 -0.665 1.00 50.51 C ATOM 614 O TYR A 42 -4.104 14.385 -1.267 1.00 49.49 O ATOM 615 CB TYR A 42 -5.531 16.812 -1.927 1.00 49.82 C ATOM 616 CG TYR A 42 -6.473 16.196 -2.938 1.00 50.00 C ATOM 617 CD1 TYR A 42 -7.842 16.406 -2.856 1.00 49.88 C ATOM 618 CD2 TYR A 42 -5.990 15.408 -3.970 1.00 49.88 C ATOM 619 CE1 TYR A 42 -8.706 15.845 -3.776 1.00 49.88 C ATOM 620 CE2 TYR A 42 -6.845 14.841 -4.896 1.00 49.88 C ATOM 621 CZ TYR A 42 -8.203 15.064 -4.796 1.00 50.11 C ATOM 622 OH TYR A 42 -9.060 14.503 -5.716 1.00 49.46 O ATOM 0 H TYR A 42 -4.219 17.651 -0.011 1.00 49.53 H new ATOM 0 HA TYR A 42 -6.596 16.163 -0.177 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -5.776 17.868 -1.814 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -4.514 16.760 -2.315 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -8.239 17.018 -2.060 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -4.927 15.234 -4.052 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -9.769 16.017 -3.697 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -6.453 14.227 -5.693 1.00 49.88 H new ATOM 0 HH TYR A 42 -9.185 13.553 -5.510 1.00 49.46 H new ATOM 632 N LYS A 43 -5.923 13.791 -0.082 1.00 49.53 N ATOM 633 CA LYS A 43 -5.582 12.374 -0.058 1.00 50.07 C ATOM 634 C LYS A 43 -5.575 11.784 -1.462 1.00 50.51 C ATOM 635 O LYS A 43 -6.626 11.611 -2.080 1.00 49.49 O ATOM 636 CB LYS A 43 -6.561 11.603 0.830 1.00 49.82 C ATOM 637 CG LYS A 43 -6.454 11.929 2.314 1.00 49.82 C ATOM 638 CD LYS A 43 -7.323 11.000 3.148 1.00 49.82 C ATOM 639 CE LYS A 43 -7.298 11.390 4.619 1.00 50.21 C ATOM 640 NZ LYS A 43 -8.121 10.471 5.452 1.00 49.70 N ATOM 0 H LYS A 43 -6.803 14.021 0.380 1.00 49.53 H new ATOM 0 HA LYS A 43 -4.578 12.281 0.356 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -7.577 11.812 0.497 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -6.394 10.535 0.692 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -5.415 11.843 2.633 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -6.755 12.963 2.484 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -8.348 11.030 2.779 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -6.973 9.974 3.036 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -6.269 11.383 4.979 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -7.667 12.409 4.730 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -8.077 10.771 6.447 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -9.108 10.497 5.126 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -7.753 9.502 5.366 1.00 49.70 H new ATOM 654 N SER A 44 -4.383 11.478 -1.964 1.00 49.53 N ATOM 655 CA SER A 44 -4.240 10.863 -3.278 1.00 50.07 C ATOM 656 C SER A 44 -2.856 10.251 -3.452 1.00 50.51 C ATOM 657 O SER A 44 -1.902 10.648 -2.783 1.00 49.49 O ATOM 658 CB SER A 44 -4.505 11.886 -4.365 1.00 50.05 C ATOM 659 OG SER A 44 -3.521 12.884 -4.401 1.00 49.34 O ATOM 0 H SER A 44 -3.501 11.646 -1.480 1.00 49.53 H new ATOM 0 HA SER A 44 -4.974 10.061 -3.359 1.00 50.07 H new ATOM 0 HB2 SER A 44 -4.547 11.384 -5.332 1.00 50.05 H new ATOM 0 HB3 SER A 44 -5.480 12.345 -4.201 1.00 50.05 H new ATOM 0 HG SER A 44 -3.728 13.522 -5.116 1.00 49.34 H new ATOM 665 N LEU A 45 -2.751 9.282 -4.356 1.00 49.53 N ATOM 666 CA LEU A 45 -1.482 8.617 -4.623 1.00 50.07 C ATOM 667 C LEU A 45 -0.992 8.914 -6.035 1.00 50.51 C ATOM 668 O LEU A 45 -1.787 9.025 -6.968 1.00 49.49 O ATOM 669 CB LEU A 45 -1.623 7.104 -4.415 1.00 49.82 C ATOM 670 CG LEU A 45 -2.045 6.676 -3.003 1.00 49.91 C ATOM 671 CD1 LEU A 45 -2.248 5.169 -2.953 1.00 49.73 C ATOM 672 CD2 LEU A 45 -0.985 7.112 -2.001 1.00 49.73 C ATOM 0 H LEU A 45 -3.531 8.940 -4.917 1.00 49.53 H new ATOM 0 HA LEU A 45 -0.742 9.004 -3.922 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -2.354 6.722 -5.127 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -0.670 6.630 -4.652 1.00 49.82 H new ATOM 0 HG LEU A 45 -2.989 7.155 -2.745 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -2.547 4.875 -1.947 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -3.026 4.883 -3.661 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -1.316 4.667 -3.215 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -1.285 6.808 -0.998 1.00 49.73 H new ATOM 0 HD22 LEU A 45 -0.033 6.645 -2.252 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -0.877 8.196 -2.034 1.00 49.73 H new ATOM 684 N ASP A 46 0.322 9.042 -6.184 1.00 49.53 N ATOM 685 CA ASP A 46 0.920 9.345 -7.479 1.00 50.07 C ATOM 686 C ASP A 46 1.387 8.075 -8.180 1.00 50.51 C ATOM 687 O ASP A 46 1.766 7.100 -7.533 1.00 49.49 O ATOM 688 CB ASP A 46 2.092 10.315 -7.315 1.00 49.72 C ATOM 689 CG ASP A 46 1.687 11.734 -6.937 1.00 50.62 C ATOM 690 OD1 ASP A 46 0.523 12.046 -7.046 1.00 49.24 O ATOM 691 OD2 ASP A 46 2.503 12.440 -6.397 1.00 49.24 O ATOM 0 H ASP A 46 0.994 8.941 -5.423 1.00 49.53 H new ATOM 0 HA ASP A 46 0.155 9.815 -8.097 1.00 50.07 H new ATOM 0 HB2 ASP A 46 2.765 9.927 -6.551 1.00 49.72 H new ATOM 0 HB3 ASP A 46 2.654 10.347 -8.248 1.00 49.72 H new ATOM 696 N GLU A 47 1.357 8.094 -9.509 1.00 49.53 N ATOM 697 CA GLU A 47 1.807 6.956 -10.302 1.00 50.07 C ATOM 698 C GLU A 47 3.309 6.744 -10.155 1.00 50.51 C ATOM 699 O GLU A 47 4.102 7.654 -10.400 1.00 49.49 O ATOM 700 CB GLU A 47 1.445 7.154 -11.775 1.00 49.82 C ATOM 701 CG GLU A 47 1.769 5.963 -12.667 1.00 49.72 C ATOM 702 CD GLU A 47 1.347 6.215 -14.087 1.00 50.62 C ATOM 703 OE1 GLU A 47 0.790 7.254 -14.347 1.00 49.24 O ATOM 704 OE2 GLU A 47 1.682 5.420 -14.935 1.00 49.24 O ATOM 0 H GLU A 47 1.025 8.886 -10.060 1.00 49.53 H new ATOM 0 HA GLU A 47 1.299 6.067 -9.930 1.00 50.07 H new ATOM 0 HB2 GLU A 47 0.379 7.369 -11.849 1.00 49.82 H new ATOM 0 HB3 GLU A 47 1.973 8.030 -12.152 1.00 49.82 H new ATOM 0 HG2 GLU A 47 2.840 5.761 -12.634 1.00 49.72 H new ATOM 0 HG3 GLU A 47 1.265 5.074 -12.288 1.00 49.72 H new ATOM 711 N GLY A 48 3.694 5.538 -9.755 1.00 49.53 N ATOM 712 CA GLY A 48 5.103 5.196 -9.593 1.00 49.98 C ATOM 713 C GLY A 48 5.584 5.502 -8.180 1.00 50.51 C ATOM 714 O GLY A 48 6.747 5.272 -7.847 1.00 49.49 O ATOM 0 H GLY A 48 3.049 4.779 -9.536 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.251 4.138 -9.809 1.00 49.98 H new ATOM 0 HA3 GLY A 48 5.701 5.755 -10.313 1.00 49.98 H new ATOM 718 N GLN A 49 4.685 6.022 -7.353 1.00 49.53 N ATOM 719 CA GLN A 49 5.016 6.364 -5.974 1.00 50.07 C ATOM 720 C GLN A 49 5.166 5.112 -5.119 1.00 50.51 C ATOM 721 O GLN A 49 4.274 4.265 -5.080 1.00 49.49 O ATOM 722 CB GLN A 49 3.944 7.276 -5.374 1.00 49.82 C ATOM 723 CG GLN A 49 4.199 7.669 -3.929 1.00 49.82 C ATOM 724 CD GLN A 49 3.185 8.674 -3.416 1.00 50.55 C ATOM 725 OE1 GLN A 49 2.367 9.195 -4.178 1.00 49.45 O ATOM 726 NE2 GLN A 49 3.237 8.956 -2.119 1.00 49.38 N ATOM 0 H GLN A 49 3.718 6.217 -7.614 1.00 49.53 H new ATOM 0 HA GLN A 49 5.969 6.893 -5.983 1.00 50.07 H new ATOM 0 HB2 GLN A 49 3.873 8.181 -5.978 1.00 49.82 H new ATOM 0 HB3 GLN A 49 2.979 6.774 -5.437 1.00 49.82 H new ATOM 0 HG2 GLN A 49 4.172 6.777 -3.303 1.00 49.82 H new ATOM 0 HG3 GLN A 49 5.201 8.090 -3.841 1.00 49.82 H new ATOM 0 HE21 GLN A 49 3.931 8.501 -1.526 1.00 49.38 H new ATOM 0 HE22 GLN A 49 2.583 9.628 -1.717 1.00 49.38 H new ATOM 735 N LYS A 50 6.298 5.003 -4.433 1.00 49.53 N ATOM 736 CA LYS A 50 6.516 3.920 -3.481 1.00 50.07 C ATOM 737 C LYS A 50 5.818 4.201 -2.156 1.00 50.51 C ATOM 738 O LYS A 50 6.020 5.253 -1.548 1.00 49.49 O ATOM 739 CB LYS A 50 8.012 3.702 -3.250 1.00 49.82 C ATOM 740 CG LYS A 50 8.761 3.155 -4.459 1.00 49.82 C ATOM 741 CD LYS A 50 10.244 2.987 -4.159 1.00 49.82 C ATOM 742 CE LYS A 50 10.994 2.447 -5.368 1.00 50.21 C ATOM 743 NZ LYS A 50 12.446 2.277 -5.091 1.00 49.70 N ATOM 0 H LYS A 50 7.080 5.652 -4.518 1.00 49.53 H new ATOM 0 HA LYS A 50 6.087 3.013 -3.906 1.00 50.07 H new ATOM 0 HB2 LYS A 50 8.464 4.649 -2.956 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.142 3.014 -2.415 1.00 49.82 H new ATOM 0 HG2 LYS A 50 8.335 2.195 -4.750 1.00 49.82 H new ATOM 0 HG3 LYS A 50 8.633 3.830 -5.305 1.00 49.82 H new ATOM 0 HD2 LYS A 50 10.669 3.946 -3.864 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.372 2.308 -3.316 1.00 49.82 H new ATOM 0 HE2 LYS A 50 10.566 1.489 -5.662 1.00 50.21 H new ATOM 0 HE3 LYS A 50 10.862 3.127 -6.210 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 12.920 1.907 -5.940 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 12.861 3.196 -4.835 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 12.573 1.609 -4.304 1.00 49.70 H new ATOM 757 N VAL A 51 4.994 3.256 -1.715 1.00 49.53 N ATOM 758 CA VAL A 51 4.182 3.447 -0.519 1.00 50.07 C ATOM 759 C VAL A 51 4.314 2.262 0.429 1.00 50.51 C ATOM 760 O VAL A 51 4.747 1.181 0.030 1.00 49.49 O ATOM 761 CB VAL A 51 2.697 3.646 -0.871 1.00 49.91 C ATOM 762 CG1 VAL A 51 2.508 4.919 -1.683 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.163 2.445 -1.635 1.00 49.73 C ATOM 0 H VAL A 51 4.871 2.350 -2.168 1.00 49.53 H new ATOM 0 HA VAL A 51 4.553 4.346 -0.027 1.00 50.07 H new ATOM 0 HB VAL A 51 2.134 3.741 0.058 1.00 49.91 H new ATOM 0 HG11 VAL A 51 1.452 5.044 -1.923 1.00 49.73 H new ATOM 0 HG12 VAL A 51 2.852 5.775 -1.103 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.084 4.851 -2.606 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.112 2.604 -1.875 1.00 49.73 H new ATOM 0 HG22 VAL A 51 2.730 2.319 -2.557 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.263 1.550 -1.022 1.00 49.73 H new ATOM 773 N SER A 52 3.940 2.474 1.687 1.00 49.53 N ATOM 774 CA SER A 52 3.890 1.390 2.663 1.00 50.07 C ATOM 775 C SER A 52 2.490 1.234 3.241 1.00 50.51 C ATOM 776 O SER A 52 1.858 2.214 3.637 1.00 49.49 O ATOM 777 CB SER A 52 4.894 1.642 3.771 1.00 50.05 C ATOM 778 OG SER A 52 4.836 0.658 4.768 1.00 49.34 O ATOM 0 H SER A 52 3.667 3.386 2.055 1.00 49.53 H new ATOM 0 HA SER A 52 4.147 0.461 2.154 1.00 50.07 H new ATOM 0 HB2 SER A 52 5.899 1.672 3.349 1.00 50.05 H new ATOM 0 HB3 SER A 52 4.706 2.619 4.215 1.00 50.05 H new ATOM 0 HG SER A 52 5.499 0.856 5.462 1.00 49.34 H new ATOM 784 N PHE A 53 2.010 -0.004 3.288 1.00 49.53 N ATOM 785 CA PHE A 53 0.627 -0.275 3.661 1.00 50.07 C ATOM 786 C PHE A 53 0.512 -1.585 4.431 1.00 50.51 C ATOM 787 O PHE A 53 1.495 -2.305 4.602 1.00 49.49 O ATOM 788 CB PHE A 53 -0.264 -0.315 2.418 1.00 49.82 C ATOM 789 CG PHE A 53 0.158 -1.338 1.402 1.00 50.00 C ATOM 790 CD1 PHE A 53 -0.332 -2.635 1.458 1.00 49.88 C ATOM 791 CD2 PHE A 53 1.047 -1.007 0.391 1.00 49.88 C ATOM 792 CE1 PHE A 53 0.057 -3.576 0.523 1.00 49.88 C ATOM 793 CE2 PHE A 53 1.436 -1.945 -0.545 1.00 49.88 C ATOM 794 CZ PHE A 53 0.940 -3.232 -0.479 1.00 49.88 C ATOM 0 H PHE A 53 2.559 -0.836 3.072 1.00 49.53 H new ATOM 0 HA PHE A 53 0.291 0.533 4.311 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -1.289 -0.522 2.724 1.00 49.82 H new ATOM 0 HB3 PHE A 53 -0.264 0.670 1.950 1.00 49.82 H new ATOM 0 HD1 PHE A 53 -1.024 -2.912 2.240 1.00 49.88 H new ATOM 0 HD2 PHE A 53 1.440 -0.003 0.335 1.00 49.88 H new ATOM 0 HE1 PHE A 53 -0.331 -4.582 0.577 1.00 49.88 H new ATOM 0 HE2 PHE A 53 2.128 -1.672 -1.328 1.00 49.88 H new ATOM 0 HZ PHE A 53 1.243 -3.967 -1.210 1.00 49.88 H new ATOM 804 N THR A 54 -0.696 -1.889 4.894 1.00 49.53 N ATOM 805 CA THR A 54 -0.992 -3.199 5.461 1.00 50.07 C ATOM 806 C THR A 54 -2.060 -3.923 4.650 1.00 50.51 C ATOM 807 O THR A 54 -2.960 -3.296 4.093 1.00 49.49 O ATOM 808 CB THR A 54 -1.460 -3.088 6.924 1.00 50.14 C ATOM 809 OG1 THR A 54 -2.598 -2.217 7.000 1.00 49.34 O ATOM 810 CG2 THR A 54 -0.346 -2.537 7.801 1.00 49.73 C ATOM 0 H THR A 54 -1.487 -1.245 4.887 1.00 49.53 H new ATOM 0 HA THR A 54 -0.065 -3.772 5.428 1.00 50.07 H new ATOM 0 HB THR A 54 -1.730 -4.083 7.279 1.00 50.14 H new ATOM 0 HG1 THR A 54 -3.248 -2.582 7.636 1.00 49.34 H new ATOM 0 HG21 THR A 54 -0.695 -2.466 8.831 1.00 49.73 H new ATOM 0 HG22 THR A 54 0.516 -3.203 7.755 1.00 49.73 H new ATOM 0 HG23 THR A 54 -0.059 -1.547 7.446 1.00 49.73 H new ATOM 818 N ILE A 55 -1.952 -5.245 4.588 1.00 49.53 N ATOM 819 CA ILE A 55 -2.838 -6.047 3.752 1.00 50.07 C ATOM 820 C ILE A 55 -4.043 -6.541 4.541 1.00 50.51 C ATOM 821 O ILE A 55 -3.897 -7.245 5.540 1.00 49.49 O ATOM 822 CB ILE A 55 -2.101 -7.256 3.147 1.00 49.91 C ATOM 823 CG1 ILE A 55 -0.934 -6.789 2.275 1.00 49.82 C ATOM 824 CG2 ILE A 55 -3.063 -8.115 2.341 1.00 49.73 C ATOM 825 CD1 ILE A 55 -0.020 -7.908 1.827 1.00 49.73 C ATOM 0 H ILE A 55 -1.259 -5.785 5.107 1.00 49.53 H new ATOM 0 HA ILE A 55 -3.179 -5.400 2.944 1.00 50.07 H new ATOM 0 HB ILE A 55 -1.700 -7.861 3.960 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -1.330 -6.282 1.395 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -0.349 -6.055 2.830 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -2.526 -8.965 1.920 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -3.861 -8.475 2.990 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -3.492 -7.521 1.534 1.00 49.73 H new ATOM 0 HD11 ILE A 55 0.783 -7.499 1.213 1.00 49.73 H new ATOM 0 HD12 ILE A 55 0.407 -8.401 2.700 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -0.590 -8.632 1.244 1.00 49.73 H new ATOM 923 N ALA A 63 -7.156 -5.390 0.381 1.00 49.53 N ATOM 924 CA ALA A 63 -7.138 -3.933 0.353 1.00 50.07 C ATOM 925 C ALA A 63 -5.928 -3.381 1.098 1.00 50.51 C ATOM 926 O ALA A 63 -5.482 -3.958 2.090 1.00 49.49 O ATOM 927 CB ALA A 63 -8.425 -3.375 0.944 1.00 49.73 C ATOM 0 HA ALA A 63 -7.064 -3.618 -0.688 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -8.396 -2.286 0.916 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -9.276 -3.730 0.363 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -8.526 -3.709 1.977 1.00 49.73 H new ATOM 933 N ALA A 64 -5.400 -2.263 0.613 1.00 49.53 N ATOM 934 CA ALA A 64 -4.265 -1.611 1.254 1.00 50.07 C ATOM 935 C ALA A 64 -4.727 -0.562 2.258 1.00 50.51 C ATOM 936 O ALA A 64 -5.253 0.485 1.880 1.00 49.49 O ATOM 937 CB ALA A 64 -3.354 -0.984 0.209 1.00 49.73 C ATOM 0 H ALA A 64 -5.741 -1.789 -0.223 1.00 49.53 H new ATOM 0 HA ALA A 64 -3.703 -2.370 1.798 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -2.511 -0.501 0.704 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -2.985 -1.758 -0.464 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -3.912 -0.243 -0.363 1.00 49.73 H new ATOM 943 N GLY A 65 -4.527 -0.849 3.541 1.00 49.53 N ATOM 944 CA GLY A 65 -4.875 0.090 4.600 1.00 49.98 C ATOM 945 C GLY A 65 -3.630 0.730 5.198 1.00 50.51 C ATOM 946 O GLY A 65 -2.510 0.283 4.950 1.00 49.49 O ATOM 0 H GLY A 65 -4.125 -1.726 3.872 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.530 0.865 4.202 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.432 -0.428 5.381 1.00 49.98 H new ATOM 950 N ASN A 66 -3.832 1.779 5.989 1.00 49.53 N ATOM 951 CA ASN A 66 -2.727 2.465 6.647 1.00 50.07 C ATOM 952 C ASN A 66 -1.668 2.897 5.641 1.00 50.51 C ATOM 953 O ASN A 66 -0.472 2.719 5.868 1.00 49.49 O ATOM 954 CB ASN A 66 -2.102 1.604 7.729 1.00 49.82 C ATOM 955 CG ASN A 66 -3.056 1.227 8.828 1.00 50.55 C ATOM 956 OD1 ASN A 66 -3.589 2.087 9.539 1.00 49.45 O ATOM 957 ND2 ASN A 66 -3.211 -0.058 9.024 1.00 49.38 N ATOM 0 H ASN A 66 -4.751 2.172 6.190 1.00 49.53 H new ATOM 0 HA ASN A 66 -3.140 3.357 7.119 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -1.707 0.695 7.275 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.256 2.137 8.162 1.00 49.82 H new ATOM 0 HD21 ASN A 66 -3.794 -0.390 9.792 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -2.749 -0.727 8.408 1.00 49.38 H new ATOM 964 N VAL A 67 -2.115 3.464 4.525 1.00 49.53 N ATOM 965 CA VAL A 67 -1.223 3.789 3.419 1.00 50.07 C ATOM 966 C VAL A 67 -0.457 5.079 3.689 1.00 50.51 C ATOM 967 O VAL A 67 -1.052 6.147 3.832 1.00 49.49 O ATOM 968 CB VAL A 67 -1.994 3.930 2.093 1.00 49.91 C ATOM 969 CG1 VAL A 67 -1.050 4.333 0.970 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.704 2.629 1.751 1.00 49.73 C ATOM 0 H VAL A 67 -3.092 3.708 4.363 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.518 2.963 3.332 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.744 4.712 2.210 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.611 4.428 0.040 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.583 5.288 1.212 1.00 49.73 H new ATOM 0 HG13 VAL A 67 -0.279 3.572 0.852 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -3.244 2.745 0.811 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -1.970 1.829 1.651 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.407 2.379 2.545 1.00 49.73 H new ATOM 980 N THR A 68 0.865 4.973 3.757 1.00 49.53 N ATOM 981 CA THR A 68 1.722 6.144 3.889 1.00 50.07 C ATOM 982 C THR A 68 2.819 6.147 2.833 1.00 50.51 C ATOM 983 O THR A 68 3.044 5.144 2.154 1.00 49.49 O ATOM 984 CB THR A 68 2.368 6.218 5.285 1.00 50.14 C ATOM 985 OG1 THR A 68 3.205 5.071 5.487 1.00 49.34 O ATOM 986 CG2 THR A 68 1.300 6.258 6.367 1.00 49.73 C ATOM 0 H THR A 68 1.367 4.086 3.723 1.00 49.53 H new ATOM 0 HA THR A 68 1.084 7.016 3.747 1.00 50.07 H new ATOM 0 HB THR A 68 2.964 7.128 5.345 1.00 50.14 H new ATOM 0 HG1 THR A 68 3.617 5.119 6.375 1.00 49.34 H new ATOM 0 HG21 THR A 68 1.776 6.310 7.346 1.00 49.73 H new ATOM 0 HG22 THR A 68 0.669 7.135 6.223 1.00 49.73 H new ATOM 0 HG23 THR A 68 0.689 5.358 6.308 1.00 49.73 H new ATOM 994 N SER A 69 3.500 7.281 2.697 1.00 49.53 N ATOM 995 CA SER A 69 4.596 7.406 1.745 1.00 50.07 C ATOM 996 C SER A 69 5.836 6.664 2.231 1.00 50.51 C ATOM 997 O SER A 69 6.156 6.684 3.418 1.00 49.49 O ATOM 998 CB SER A 69 4.916 8.867 1.505 1.00 50.05 C ATOM 999 OG SER A 69 3.850 9.546 0.898 1.00 49.34 O ATOM 0 H SER A 69 3.311 8.127 3.235 1.00 49.53 H new ATOM 0 HA SER A 69 4.281 6.953 0.805 1.00 50.07 H new ATOM 0 HB2 SER A 69 5.157 9.346 2.454 1.00 50.05 H new ATOM 0 HB3 SER A 69 5.802 8.945 0.874 1.00 50.05 H new ATOM 0 HG SER A 69 4.095 10.485 0.762 1.00 49.34 H new ATOM 1005 N LEU A 70 6.529 6.011 1.303 1.00 49.53 N ATOM 1006 CA LEU A 70 7.735 5.262 1.637 1.00 50.07 C ATOM 1007 C LEU A 70 8.988 6.003 1.184 1.00 50.51 C ATOM 1008 O LEU A 70 10.105 5.528 1.378 1.00 49.49 O ATOM 1009 CB LEU A 70 7.684 3.866 1.003 1.00 49.82 C ATOM 1010 CG LEU A 70 8.923 2.995 1.240 1.00 49.91 C ATOM 1011 CD1 LEU A 70 9.038 2.643 2.717 1.00 49.73 C ATOM 1012 CD2 LEU A 70 8.832 1.736 0.391 1.00 49.73 C ATOM 0 H LEU A 70 6.276 5.986 0.315 1.00 49.53 H new ATOM 0 HA LEU A 70 7.779 5.159 2.721 1.00 50.07 H new ATOM 0 HB2 LEU A 70 6.811 3.341 1.390 1.00 49.82 H new ATOM 0 HB3 LEU A 70 7.538 3.978 -0.071 1.00 49.82 H new ATOM 0 HG LEU A 70 9.816 3.548 0.950 1.00 49.91 H new ATOM 0 HD11 LEU A 70 9.921 2.024 2.876 1.00 49.73 H new ATOM 0 HD12 LEU A 70 9.126 3.558 3.303 1.00 49.73 H new ATOM 0 HD13 LEU A 70 8.150 2.095 3.031 1.00 49.73 H new ATOM 0 HD21 LEU A 70 9.714 1.118 0.561 1.00 49.73 H new ATOM 0 HD22 LEU A 70 7.938 1.176 0.665 1.00 49.73 H new ATOM 0 HD23 LEU A 70 8.779 2.011 -0.662 1.00 49.73 H new