USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.12 (180deg=-0.0168) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= 1.21 (180deg=1.13) USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= 0.44 (180deg=0.131) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.0913 (180deg=-0.399) USER MOD Single : A 12 GLN : amide:sc= -1.83! C(o=-1.8!,f=-7.2!) USER MOD Single : A 14 THR OG1 : rot -100:sc= 1.07 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 0.44 (180deg=0.0359) USER MOD Single : A 25 THR OG1 : rot -62:sc= 1.17 USER MOD Single : A 30 GLN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-5.7!) USER MOD Single : A 38 TYR OH : rot 180:sc=-0.000922 USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= 2.52 (180deg=1.67) USER MOD Single : A 44 GLN : amide:sc= -0.0759 K(o=-0.076,f=-2.4!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.76 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -0.0116 (180deg=-0.123) USER MOD Single : A 56 GLN :FLIP amide:sc=-0.00792 F(o=-1.3!,f=-0.0079) USER MOD Single : A 62 SER OG : rot -150:sc= -0.133 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.227 14.089 -5.470 1.00 0.00 N ATOM 2 CA MET A 1 8.633 13.778 -5.133 1.00 0.00 C ATOM 3 C MET A 1 8.902 12.292 -5.316 1.00 0.00 C ATOM 4 O MET A 1 7.968 11.495 -5.418 1.00 0.00 O ATOM 5 CB MET A 1 8.966 14.222 -3.705 1.00 0.00 C ATOM 6 CG MET A 1 9.050 15.731 -3.553 1.00 0.00 C ATOM 7 SD MET A 1 9.608 16.245 -1.916 1.00 0.00 S ATOM 8 CE MET A 1 9.639 18.026 -2.122 1.00 0.00 C ATOM 0 H1 MET A 1 7.188 14.563 -6.395 1.00 0.00 H new ATOM 0 H2 MET A 1 6.676 13.208 -5.509 1.00 0.00 H new ATOM 0 H3 MET A 1 6.826 14.716 -4.743 1.00 0.00 H new ATOM 0 HA MET A 1 9.280 14.333 -5.812 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.207 13.836 -3.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.916 13.779 -3.406 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.732 16.129 -4.305 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.070 16.166 -3.750 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.965 18.494 -1.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.331 18.288 -2.923 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.640 18.380 -2.375 1.00 0.00 H new ATOM 18 N ASN A 2 10.178 11.929 -5.347 1.00 0.00 N ATOM 19 CA ASN A 2 10.597 10.566 -5.670 1.00 0.00 C ATOM 20 C ASN A 2 10.021 9.540 -4.697 1.00 0.00 C ATOM 21 O ASN A 2 9.410 8.558 -5.118 1.00 0.00 O ATOM 22 CB ASN A 2 12.126 10.468 -5.695 1.00 0.00 C ATOM 23 CG ASN A 2 12.606 9.107 -6.154 1.00 0.00 C ATOM 24 OD1 ASN A 2 12.877 8.219 -5.345 1.00 0.00 O ATOM 25 ND2 ASN A 2 12.706 8.930 -7.462 1.00 0.00 N ATOM 0 H ASN A 2 10.950 12.566 -5.150 1.00 0.00 H new ATOM 0 HA ASN A 2 10.204 10.335 -6.660 1.00 0.00 H new ATOM 0 HB2 ASN A 2 12.526 11.235 -6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 2 12.518 10.672 -4.698 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.017 8.032 -7.833 1.00 0.00 H new ATOM 0 HD22 ASN A 2 12.472 9.691 -8.099 1.00 0.00 H new ATOM 32 N SER A 3 10.196 9.775 -3.404 1.00 0.00 N ATOM 33 CA SER A 3 9.727 8.839 -2.385 1.00 0.00 C ATOM 34 C SER A 3 8.200 8.855 -2.272 1.00 0.00 C ATOM 35 O SER A 3 7.595 7.960 -1.677 1.00 0.00 O ATOM 36 CB SER A 3 10.356 9.180 -1.031 1.00 0.00 C ATOM 37 OG SER A 3 11.775 9.150 -1.103 1.00 0.00 O ATOM 0 H SER A 3 10.659 10.605 -3.033 1.00 0.00 H new ATOM 0 HA SER A 3 10.032 7.836 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.026 10.169 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.012 8.471 -0.278 1.00 0.00 H new ATOM 0 HG SER A 3 12.152 9.373 -0.226 1.00 0.00 H new ATOM 43 N ASP A 4 7.585 9.870 -2.860 1.00 0.00 N ATOM 44 CA ASP A 4 6.138 10.034 -2.808 1.00 0.00 C ATOM 45 C ASP A 4 5.507 9.583 -4.119 1.00 0.00 C ATOM 46 O ASP A 4 4.410 10.017 -4.471 1.00 0.00 O ATOM 47 CB ASP A 4 5.775 11.499 -2.543 1.00 0.00 C ATOM 48 CG ASP A 4 6.292 12.016 -1.216 1.00 0.00 C ATOM 49 OD1 ASP A 4 7.453 12.466 -1.161 1.00 0.00 O ATOM 50 OD2 ASP A 4 5.532 11.993 -0.226 1.00 0.00 O ATOM 0 H ASP A 4 8.070 10.599 -3.383 1.00 0.00 H new ATOM 0 HA ASP A 4 5.754 9.419 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.177 12.116 -3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.691 11.608 -2.569 1.00 0.00 H new ATOM 55 N VAL A 5 6.199 8.699 -4.831 1.00 0.00 N ATOM 56 CA VAL A 5 5.754 8.250 -6.147 1.00 0.00 C ATOM 57 C VAL A 5 4.387 7.555 -6.093 1.00 0.00 C ATOM 58 O VAL A 5 3.451 7.991 -6.755 1.00 0.00 O ATOM 59 CB VAL A 5 6.816 7.345 -6.827 1.00 0.00 C ATOM 60 CG1 VAL A 5 7.239 6.188 -5.932 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.314 6.832 -8.169 1.00 0.00 C ATOM 0 H VAL A 5 7.073 8.278 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 5 5.634 9.144 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 5 7.699 7.961 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.983 5.582 -6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.667 6.580 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.370 5.574 -5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.076 6.200 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.404 6.251 -8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.102 7.676 -8.825 1.00 0.00 H new ATOM 71 N ILE A 6 4.276 6.480 -5.323 1.00 0.00 N ATOM 72 CA ILE A 6 3.003 5.783 -5.165 1.00 0.00 C ATOM 73 C ILE A 6 2.250 6.337 -3.959 1.00 0.00 C ATOM 74 O ILE A 6 1.021 6.321 -3.907 1.00 0.00 O ATOM 75 CB ILE A 6 3.214 4.259 -5.015 1.00 0.00 C ATOM 76 CG1 ILE A 6 3.982 3.720 -6.228 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.878 3.538 -4.859 1.00 0.00 C ATOM 78 CD1 ILE A 6 4.275 2.236 -6.158 1.00 0.00 C ATOM 0 H ILE A 6 5.050 6.071 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 6 2.409 5.951 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 6 3.800 4.073 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.406 3.925 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.923 4.262 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.052 2.467 -4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.365 3.910 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.261 3.721 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.820 1.930 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.878 2.025 -5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.338 1.683 -6.098 1.00 0.00 H new ATOM 90 N LYS A 7 3.023 6.840 -3.000 1.00 0.00 N ATOM 91 CA LYS A 7 2.483 7.445 -1.788 1.00 0.00 C ATOM 92 C LYS A 7 1.529 8.588 -2.139 1.00 0.00 C ATOM 93 O LYS A 7 0.509 8.792 -1.477 1.00 0.00 O ATOM 94 CB LYS A 7 3.637 7.957 -0.917 1.00 0.00 C ATOM 95 CG LYS A 7 3.194 8.706 0.324 1.00 0.00 C ATOM 96 CD LYS A 7 4.367 9.399 0.988 1.00 0.00 C ATOM 97 CE LYS A 7 3.902 10.431 1.997 1.00 0.00 C ATOM 98 NZ LYS A 7 4.990 11.381 2.350 1.00 0.00 N ATOM 0 H LYS A 7 4.042 6.839 -3.042 1.00 0.00 H new ATOM 0 HA LYS A 7 1.921 6.694 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.253 7.110 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.268 8.613 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.436 9.442 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.732 8.012 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.995 8.659 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.983 9.882 0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.055 10.983 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.551 9.928 2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.576 12.272 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.584 10.967 3.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.572 11.570 1.509 1.00 0.00 H new ATOM 112 N GLY A 8 1.878 9.324 -3.184 1.00 0.00 N ATOM 113 CA GLY A 8 1.015 10.368 -3.686 1.00 0.00 C ATOM 114 C GLY A 8 0.505 10.026 -5.067 1.00 0.00 C ATOM 115 O GLY A 8 1.238 9.432 -5.857 1.00 0.00 O ATOM 0 H GLY A 8 2.753 9.213 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.174 10.508 -3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.559 11.312 -3.718 1.00 0.00 H new ATOM 119 N LYS A 9 -0.741 10.408 -5.350 1.00 0.00 N ATOM 120 CA LYS A 9 -1.426 10.085 -6.610 1.00 0.00 C ATOM 121 C LYS A 9 -1.954 8.656 -6.571 1.00 0.00 C ATOM 122 O LYS A 9 -2.326 8.096 -7.598 1.00 0.00 O ATOM 123 CB LYS A 9 -0.525 10.283 -7.839 1.00 0.00 C ATOM 124 CG LYS A 9 0.012 11.696 -7.991 1.00 0.00 C ATOM 125 CD LYS A 9 0.937 11.818 -9.191 1.00 0.00 C ATOM 126 CE LYS A 9 2.120 10.861 -9.099 1.00 0.00 C ATOM 127 NZ LYS A 9 2.899 11.042 -7.845 1.00 0.00 N ATOM 0 H LYS A 9 -1.312 10.956 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.259 10.781 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.315 9.591 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.088 10.021 -8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.820 12.392 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.549 11.981 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.376 11.615 -10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.304 12.842 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.758 9.834 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.776 11.014 -9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.861 10.669 -7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.949 12.054 -7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.432 10.530 -7.069 1.00 0.00 H new ATOM 141 N TRP A 10 -2.007 8.090 -5.366 1.00 0.00 N ATOM 142 CA TRP A 10 -2.515 6.736 -5.143 1.00 0.00 C ATOM 143 C TRP A 10 -3.887 6.539 -5.794 1.00 0.00 C ATOM 144 O TRP A 10 -4.131 5.529 -6.452 1.00 0.00 O ATOM 145 CB TRP A 10 -2.590 6.465 -3.634 1.00 0.00 C ATOM 146 CG TRP A 10 -3.322 5.207 -3.250 1.00 0.00 C ATOM 147 CD1 TRP A 10 -4.599 5.124 -2.775 1.00 0.00 C ATOM 148 CD2 TRP A 10 -2.823 3.864 -3.289 1.00 0.00 C ATOM 149 NE1 TRP A 10 -4.924 3.815 -2.517 1.00 0.00 N ATOM 150 CE2 TRP A 10 -3.853 3.021 -2.828 1.00 0.00 C ATOM 151 CE3 TRP A 10 -1.608 3.289 -3.673 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -3.702 1.639 -2.738 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -1.460 1.916 -3.583 1.00 0.00 C ATOM 154 CH2 TRP A 10 -2.502 1.106 -3.119 1.00 0.00 C ATOM 0 H TRP A 10 -1.698 8.558 -4.514 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.831 6.026 -5.607 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.576 6.412 -3.239 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.077 7.313 -3.151 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.258 5.966 -2.624 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.819 3.487 -2.153 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.798 3.906 -4.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.504 1.011 -2.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.525 1.462 -3.876 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.355 0.038 -3.061 1.00 0.00 H new ATOM 165 N LYS A 11 -4.761 7.529 -5.645 1.00 0.00 N ATOM 166 CA LYS A 11 -6.125 7.433 -6.163 1.00 0.00 C ATOM 167 C LYS A 11 -6.147 7.538 -7.685 1.00 0.00 C ATOM 168 O LYS A 11 -7.105 7.110 -8.332 1.00 0.00 O ATOM 169 CB LYS A 11 -7.020 8.523 -5.560 1.00 0.00 C ATOM 170 CG LYS A 11 -7.410 8.294 -4.101 1.00 0.00 C ATOM 171 CD LYS A 11 -6.229 8.449 -3.152 1.00 0.00 C ATOM 172 CE LYS A 11 -6.662 8.348 -1.697 1.00 0.00 C ATOM 173 NZ LYS A 11 -7.627 9.416 -1.330 1.00 0.00 N ATOM 0 H LYS A 11 -4.551 8.407 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.512 6.456 -5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.506 9.481 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.929 8.599 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.192 9.000 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.830 7.294 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.487 7.680 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.748 9.412 -3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.116 7.373 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.786 8.414 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.665 9.509 -0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.322 10.318 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.571 9.170 -1.690 1.00 0.00 H new ATOM 187 N GLN A 12 -5.089 8.098 -8.255 1.00 0.00 N ATOM 188 CA GLN A 12 -4.992 8.244 -9.702 1.00 0.00 C ATOM 189 C GLN A 12 -4.297 7.033 -10.311 1.00 0.00 C ATOM 190 O GLN A 12 -4.571 6.645 -11.445 1.00 0.00 O ATOM 191 CB GLN A 12 -4.223 9.516 -10.071 1.00 0.00 C ATOM 192 CG GLN A 12 -4.820 10.803 -9.512 1.00 0.00 C ATOM 193 CD GLN A 12 -6.230 11.078 -10.009 1.00 0.00 C ATOM 194 OE1 GLN A 12 -7.014 10.164 -10.255 1.00 0.00 O ATOM 195 NE2 GLN A 12 -6.558 12.347 -10.171 1.00 0.00 N ATOM 0 H GLN A 12 -4.286 8.458 -7.739 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.004 8.317 -10.101 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.198 9.421 -9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.176 9.594 -11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.830 10.747 -8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.177 11.641 -9.782 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.882 13.080 -9.957 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.488 12.594 -10.510 1.00 0.00 H new ATOM 204 N LEU A 13 -3.400 6.437 -9.541 1.00 0.00 N ATOM 205 CA LEU A 13 -2.633 5.286 -9.998 1.00 0.00 C ATOM 206 C LEU A 13 -3.440 4.000 -9.860 1.00 0.00 C ATOM 207 O LEU A 13 -3.032 2.956 -10.360 1.00 0.00 O ATOM 208 CB LEU A 13 -1.331 5.175 -9.196 1.00 0.00 C ATOM 209 CG LEU A 13 -0.376 6.363 -9.333 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.742 6.271 -8.306 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.198 6.424 -10.740 1.00 0.00 C ATOM 0 H LEU A 13 -3.183 6.733 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.398 5.429 -11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.582 5.051 -8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.807 4.271 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.938 7.279 -9.149 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.411 7.124 -8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.316 6.274 -7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.302 5.348 -8.459 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.875 7.275 -10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.744 5.504 -10.950 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.613 6.537 -11.459 1.00 0.00 H new ATOM 223 N THR A 14 -4.590 4.098 -9.196 1.00 0.00 N ATOM 224 CA THR A 14 -5.454 2.947 -8.929 1.00 0.00 C ATOM 225 C THR A 14 -5.669 2.070 -10.163 1.00 0.00 C ATOM 226 O THR A 14 -5.397 0.872 -10.132 1.00 0.00 O ATOM 227 CB THR A 14 -6.827 3.401 -8.401 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.326 4.477 -9.209 1.00 0.00 O ATOM 229 CG2 THR A 14 -6.737 3.842 -6.950 1.00 0.00 C ATOM 0 H THR A 14 -4.950 4.978 -8.827 1.00 0.00 H new ATOM 0 HA THR A 14 -4.938 2.354 -8.174 1.00 0.00 H new ATOM 0 HB THR A 14 -7.512 2.555 -8.457 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.169 5.329 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.721 4.157 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.386 3.011 -6.338 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.039 4.675 -6.865 1.00 0.00 H new ATOM 237 N GLY A 15 -6.140 2.675 -11.248 1.00 0.00 N ATOM 238 CA GLY A 15 -6.432 1.925 -12.460 1.00 0.00 C ATOM 239 C GLY A 15 -5.212 1.237 -13.044 1.00 0.00 C ATOM 240 O GLY A 15 -5.320 0.166 -13.641 1.00 0.00 O ATOM 0 H GLY A 15 -6.326 3.676 -11.312 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.194 1.177 -12.242 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.852 2.600 -13.205 1.00 0.00 H new ATOM 244 N LYS A 16 -4.047 1.841 -12.856 1.00 0.00 N ATOM 245 CA LYS A 16 -2.814 1.316 -13.424 1.00 0.00 C ATOM 246 C LYS A 16 -2.243 0.217 -12.528 1.00 0.00 C ATOM 247 O LYS A 16 -1.738 -0.795 -13.014 1.00 0.00 O ATOM 248 CB LYS A 16 -1.805 2.453 -13.606 1.00 0.00 C ATOM 249 CG LYS A 16 -0.642 2.111 -14.520 1.00 0.00 C ATOM 250 CD LYS A 16 0.230 3.328 -14.775 1.00 0.00 C ATOM 251 CE LYS A 16 1.352 3.026 -15.754 1.00 0.00 C ATOM 252 NZ LYS A 16 2.171 4.233 -16.047 1.00 0.00 N ATOM 0 H LYS A 16 -3.930 2.697 -12.313 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.025 0.879 -14.400 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.324 3.324 -14.007 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.414 2.737 -12.629 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.043 1.319 -14.071 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.021 1.726 -15.467 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.384 4.139 -15.166 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.654 3.675 -13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.991 2.244 -15.344 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.930 2.639 -16.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.926 3.986 -16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.566 4.971 -16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.594 4.588 -15.166 1.00 0.00 H new ATOM 266 N ILE A 17 -2.342 0.423 -11.219 1.00 0.00 N ATOM 267 CA ILE A 17 -1.934 -0.583 -10.242 1.00 0.00 C ATOM 268 C ILE A 17 -2.800 -1.829 -10.395 1.00 0.00 C ATOM 269 O ILE A 17 -2.297 -2.951 -10.492 1.00 0.00 O ATOM 270 CB ILE A 17 -2.068 -0.048 -8.795 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.175 1.178 -8.592 1.00 0.00 C ATOM 272 CG2 ILE A 17 -1.715 -1.130 -7.784 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.334 1.831 -7.233 1.00 0.00 C ATOM 0 H ILE A 17 -2.704 1.283 -10.807 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.888 -0.826 -10.427 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.106 0.245 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.134 0.884 -8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.399 1.912 -9.366 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.816 -0.732 -6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.388 -1.978 -7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.687 -1.456 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.670 2.692 -7.163 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.366 2.157 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.081 1.113 -6.453 1.00 0.00 H new ATOM 285 N LYS A 18 -4.106 -1.597 -10.444 1.00 0.00 N ATOM 286 CA LYS A 18 -5.099 -2.651 -10.589 1.00 0.00 C ATOM 287 C LYS A 18 -4.806 -3.532 -11.797 1.00 0.00 C ATOM 288 O LYS A 18 -4.750 -4.759 -11.691 1.00 0.00 O ATOM 289 CB LYS A 18 -6.482 -2.011 -10.745 1.00 0.00 C ATOM 290 CG LYS A 18 -7.591 -2.987 -11.089 1.00 0.00 C ATOM 291 CD LYS A 18 -8.853 -2.258 -11.509 1.00 0.00 C ATOM 292 CE LYS A 18 -9.948 -3.222 -11.937 1.00 0.00 C ATOM 293 NZ LYS A 18 -9.519 -4.112 -13.053 1.00 0.00 N ATOM 0 H LYS A 18 -4.508 -0.662 -10.383 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.067 -3.281 -9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.739 -1.501 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.431 -1.250 -11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.263 -3.645 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.803 -3.619 -10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.211 -1.646 -10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.624 -1.580 -12.331 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.245 -3.832 -11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.827 -2.655 -12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.356 -4.539 -13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.997 -3.556 -13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.904 -4.864 -12.681 1.00 0.00 H new ATOM 307 N GLU A 19 -4.584 -2.895 -12.935 1.00 0.00 N ATOM 308 CA GLU A 19 -4.540 -3.600 -14.203 1.00 0.00 C ATOM 309 C GLU A 19 -3.163 -4.197 -14.489 1.00 0.00 C ATOM 310 O GLU A 19 -2.992 -4.919 -15.473 1.00 0.00 O ATOM 311 CB GLU A 19 -4.962 -2.658 -15.325 1.00 0.00 C ATOM 312 CG GLU A 19 -5.804 -3.332 -16.391 1.00 0.00 C ATOM 313 CD GLU A 19 -7.030 -4.015 -15.812 1.00 0.00 C ATOM 314 OE1 GLU A 19 -8.018 -3.315 -15.500 1.00 0.00 O ATOM 315 OE2 GLU A 19 -7.011 -5.255 -15.664 1.00 0.00 O ATOM 0 H GLU A 19 -4.431 -1.889 -13.005 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.237 -4.436 -14.145 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.524 -1.827 -14.900 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.071 -2.235 -15.789 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.117 -2.590 -17.126 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.197 -4.067 -16.919 1.00 0.00 H new ATOM 322 N ARG A 20 -2.182 -3.907 -13.641 1.00 0.00 N ATOM 323 CA ARG A 20 -0.862 -4.505 -13.802 1.00 0.00 C ATOM 324 C ARG A 20 -0.901 -5.959 -13.358 1.00 0.00 C ATOM 325 O ARG A 20 -0.541 -6.867 -14.108 1.00 0.00 O ATOM 326 CB ARG A 20 0.207 -3.765 -12.994 1.00 0.00 C ATOM 327 CG ARG A 20 1.616 -4.278 -13.277 1.00 0.00 C ATOM 328 CD ARG A 20 2.593 -3.941 -12.159 1.00 0.00 C ATOM 329 NE ARG A 20 3.955 -4.390 -12.467 1.00 0.00 N ATOM 330 CZ ARG A 20 4.471 -5.555 -12.070 1.00 0.00 C ATOM 331 NH1 ARG A 20 3.757 -6.395 -11.335 1.00 0.00 N ATOM 332 NH2 ARG A 20 5.707 -5.881 -12.407 1.00 0.00 N ATOM 0 H ARG A 20 -2.273 -3.272 -12.848 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.598 -4.434 -14.857 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.159 -2.701 -13.224 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.008 -3.872 -11.931 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.585 -5.359 -13.415 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.975 -3.847 -14.212 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.595 -2.864 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.258 -4.407 -11.232 1.00 0.00 H new ATOM 0 HE ARG A 20 4.547 -3.771 -13.021 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.803 -6.154 -11.067 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.162 -7.283 -11.037 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.267 -5.242 -12.971 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.100 -6.772 -12.103 1.00 0.00 H new ATOM 346 N TRP A 21 -1.343 -6.170 -12.128 1.00 0.00 N ATOM 347 CA TRP A 21 -1.427 -7.508 -11.568 1.00 0.00 C ATOM 348 C TRP A 21 -2.707 -8.197 -12.018 1.00 0.00 C ATOM 349 O TRP A 21 -2.724 -9.402 -12.265 1.00 0.00 O ATOM 350 CB TRP A 21 -1.330 -7.453 -10.041 1.00 0.00 C ATOM 351 CG TRP A 21 0.060 -7.155 -9.554 1.00 0.00 C ATOM 352 CD1 TRP A 21 1.074 -8.054 -9.406 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.593 -5.883 -9.160 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.202 -7.424 -8.944 1.00 0.00 N ATOM 355 CE2 TRP A 21 1.933 -6.093 -8.783 1.00 0.00 C ATOM 356 CE3 TRP A 21 0.074 -4.587 -9.088 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.757 -5.060 -8.342 1.00 0.00 C ATOM 358 CZ3 TRP A 21 0.895 -3.564 -8.649 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.223 -3.806 -8.281 1.00 0.00 C ATOM 0 H TRP A 21 -1.650 -5.429 -11.498 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.587 -8.096 -11.937 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.012 -6.690 -9.666 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.658 -8.406 -9.626 1.00 0.00 H new ATOM 0 HD1 TRP A 21 1.000 -9.110 -9.621 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.096 -7.875 -8.752 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.949 -4.388 -9.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.782 -5.245 -8.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.503 -2.559 -8.589 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.837 -2.985 -7.942 1.00 0.00 H new ATOM 370 N GLY A 22 -3.777 -7.428 -12.133 1.00 0.00 N ATOM 371 CA GLY A 22 -5.020 -7.963 -12.655 1.00 0.00 C ATOM 372 C GLY A 22 -5.932 -8.512 -11.576 1.00 0.00 C ATOM 373 O GLY A 22 -7.155 -8.474 -11.715 1.00 0.00 O ATOM 0 H GLY A 22 -3.809 -6.442 -11.875 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.545 -7.179 -13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.796 -8.755 -13.370 1.00 0.00 H new ATOM 377 N ASP A 23 -5.355 -9.028 -10.501 1.00 0.00 N ATOM 378 CA ASP A 23 -6.154 -9.596 -9.422 1.00 0.00 C ATOM 379 C ASP A 23 -6.610 -8.512 -8.453 1.00 0.00 C ATOM 380 O ASP A 23 -7.711 -8.582 -7.910 1.00 0.00 O ATOM 381 CB ASP A 23 -5.375 -10.675 -8.671 1.00 0.00 C ATOM 382 CG ASP A 23 -6.236 -11.401 -7.659 1.00 0.00 C ATOM 383 OD1 ASP A 23 -7.159 -12.131 -8.074 1.00 0.00 O ATOM 384 OD2 ASP A 23 -5.998 -11.241 -6.446 1.00 0.00 O ATOM 0 H ASP A 23 -4.347 -9.066 -10.352 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.035 -10.054 -9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.972 -11.393 -9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.525 -10.220 -8.163 1.00 0.00 H new ATOM 389 N LEU A 24 -5.757 -7.510 -8.252 1.00 0.00 N ATOM 390 CA LEU A 24 -6.083 -6.380 -7.383 1.00 0.00 C ATOM 391 C LEU A 24 -7.349 -5.692 -7.862 1.00 0.00 C ATOM 392 O LEU A 24 -7.485 -5.388 -9.047 1.00 0.00 O ATOM 393 CB LEU A 24 -4.930 -5.370 -7.354 1.00 0.00 C ATOM 394 CG LEU A 24 -3.641 -5.867 -6.698 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.566 -4.796 -6.768 1.00 0.00 C ATOM 396 CD2 LEU A 24 -3.893 -6.263 -5.252 1.00 0.00 C ATOM 0 H LEU A 24 -4.833 -7.457 -8.680 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.243 -6.764 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.705 -5.071 -8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.265 -4.476 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.297 -6.747 -7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.654 -5.164 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.363 -4.552 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.908 -3.902 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.964 -6.614 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.261 -5.400 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.636 -7.060 -5.217 1.00 0.00 H new ATOM 408 N THR A 25 -8.283 -5.471 -6.952 1.00 0.00 N ATOM 409 CA THR A 25 -9.508 -4.775 -7.297 1.00 0.00 C ATOM 410 C THR A 25 -9.388 -3.301 -6.934 1.00 0.00 C ATOM 411 O THR A 25 -8.552 -2.923 -6.111 1.00 0.00 O ATOM 412 CB THR A 25 -10.736 -5.380 -6.583 1.00 0.00 C ATOM 413 OG1 THR A 25 -10.644 -5.180 -5.166 1.00 0.00 O ATOM 414 CG2 THR A 25 -10.853 -6.866 -6.878 1.00 0.00 C ATOM 0 H THR A 25 -8.216 -5.761 -5.976 1.00 0.00 H new ATOM 0 HA THR A 25 -9.654 -4.885 -8.371 1.00 0.00 H new ATOM 0 HB THR A 25 -11.624 -4.873 -6.959 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.855 -5.648 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.725 -7.271 -6.365 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.962 -7.016 -7.952 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.956 -7.378 -6.529 1.00 0.00 H new ATOM 422 N ASP A 26 -10.226 -2.471 -7.539 1.00 0.00 N ATOM 423 CA ASP A 26 -10.229 -1.044 -7.236 1.00 0.00 C ATOM 424 C ASP A 26 -10.809 -0.810 -5.844 1.00 0.00 C ATOM 425 O ASP A 26 -10.723 0.289 -5.299 1.00 0.00 O ATOM 426 CB ASP A 26 -11.012 -0.255 -8.294 1.00 0.00 C ATOM 427 CG ASP A 26 -12.500 -0.540 -8.273 1.00 0.00 C ATOM 428 OD1 ASP A 26 -12.918 -1.597 -8.790 1.00 0.00 O ATOM 429 OD2 ASP A 26 -13.263 0.295 -7.748 1.00 0.00 O ATOM 0 H ASP A 26 -10.910 -2.758 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.200 -0.684 -7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.851 0.811 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.617 -0.494 -9.282 1.00 0.00 H new ATOM 434 N ASP A 27 -11.391 -1.862 -5.271 1.00 0.00 N ATOM 435 CA ASP A 27 -11.895 -1.827 -3.899 1.00 0.00 C ATOM 436 C ASP A 27 -10.738 -1.876 -2.909 1.00 0.00 C ATOM 437 O ASP A 27 -10.731 -1.163 -1.902 1.00 0.00 O ATOM 438 CB ASP A 27 -12.852 -2.998 -3.646 1.00 0.00 C ATOM 439 CG ASP A 27 -13.255 -3.123 -2.188 1.00 0.00 C ATOM 440 OD1 ASP A 27 -14.207 -2.434 -1.764 1.00 0.00 O ATOM 441 OD2 ASP A 27 -12.630 -3.920 -1.457 1.00 0.00 O ATOM 0 H ASP A 27 -11.526 -2.757 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.441 -0.894 -3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.746 -2.869 -4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.378 -3.925 -3.968 1.00 0.00 H new ATOM 446 N ASP A 28 -9.752 -2.713 -3.212 1.00 0.00 N ATOM 447 CA ASP A 28 -8.549 -2.816 -2.391 1.00 0.00 C ATOM 448 C ASP A 28 -7.747 -1.528 -2.472 1.00 0.00 C ATOM 449 O ASP A 28 -7.075 -1.132 -1.520 1.00 0.00 O ATOM 450 CB ASP A 28 -7.658 -3.977 -2.853 1.00 0.00 C ATOM 451 CG ASP A 28 -8.315 -5.333 -2.711 1.00 0.00 C ATOM 452 OD1 ASP A 28 -8.501 -5.792 -1.562 1.00 0.00 O ATOM 453 OD2 ASP A 28 -8.630 -5.952 -3.750 1.00 0.00 O ATOM 0 H ASP A 28 -9.761 -3.332 -4.022 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.868 -2.997 -1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.384 -3.822 -3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.733 -3.967 -2.276 1.00 0.00 H new ATOM 458 N LEU A 29 -7.842 -0.869 -3.616 1.00 0.00 N ATOM 459 CA LEU A 29 -7.018 0.295 -3.905 1.00 0.00 C ATOM 460 C LEU A 29 -7.712 1.596 -3.495 1.00 0.00 C ATOM 461 O LEU A 29 -7.230 2.685 -3.795 1.00 0.00 O ATOM 462 CB LEU A 29 -6.670 0.317 -5.396 1.00 0.00 C ATOM 463 CG LEU A 29 -5.949 -0.936 -5.908 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.691 -0.824 -7.398 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.642 -1.149 -5.159 1.00 0.00 C ATOM 0 H LEU A 29 -8.486 -1.123 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.102 0.220 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.589 0.449 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.043 1.186 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.591 -1.798 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.179 -1.721 -7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.640 -0.720 -7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.069 0.049 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.147 -2.043 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.994 -0.285 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.848 -1.271 -4.096 1.00 0.00 H new ATOM 477 N GLN A 30 -8.841 1.485 -2.810 1.00 0.00 N ATOM 478 CA GLN A 30 -9.527 2.660 -2.279 1.00 0.00 C ATOM 479 C GLN A 30 -9.746 2.483 -0.783 1.00 0.00 C ATOM 480 O GLN A 30 -10.562 3.168 -0.164 1.00 0.00 O ATOM 481 CB GLN A 30 -10.867 2.886 -2.991 1.00 0.00 C ATOM 482 CG GLN A 30 -11.887 1.779 -2.763 1.00 0.00 C ATOM 483 CD GLN A 30 -13.191 2.024 -3.500 1.00 0.00 C ATOM 484 OE1 GLN A 30 -14.113 2.640 -2.966 1.00 0.00 O ATOM 485 NE2 GLN A 30 -13.271 1.549 -4.732 1.00 0.00 N ATOM 0 H GLN A 30 -9.302 0.598 -2.608 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.905 3.538 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.291 3.831 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.686 2.983 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.464 0.828 -3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.089 1.690 -1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.482 1.044 -5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.121 1.688 -5.278 1.00 0.00 H new ATOM 494 N ALA A 31 -8.978 1.571 -0.209 1.00 0.00 N ATOM 495 CA ALA A 31 -9.174 1.154 1.168 1.00 0.00 C ATOM 496 C ALA A 31 -8.385 2.005 2.161 1.00 0.00 C ATOM 497 O ALA A 31 -8.967 2.649 3.036 1.00 0.00 O ATOM 498 CB ALA A 31 -8.783 -0.306 1.309 1.00 0.00 C ATOM 0 H ALA A 31 -8.206 1.102 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.229 1.290 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.929 -0.624 2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.404 -0.914 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.735 -0.430 1.036 1.00 0.00 H new ATOM 504 N ALA A 32 -7.065 2.015 2.023 1.00 0.00 N ATOM 505 CA ALA A 32 -6.204 2.569 3.059 1.00 0.00 C ATOM 506 C ALA A 32 -5.389 3.770 2.576 1.00 0.00 C ATOM 507 O ALA A 32 -5.758 4.431 1.607 1.00 0.00 O ATOM 508 CB ALA A 32 -5.294 1.473 3.582 1.00 0.00 C ATOM 0 H ALA A 32 -6.570 1.648 1.210 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.840 2.942 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.645 1.878 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.898 0.666 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.684 1.086 2.766 1.00 0.00 H new ATOM 514 N ASP A 33 -4.282 4.029 3.276 1.00 0.00 N ATOM 515 CA ASP A 33 -3.442 5.216 3.066 1.00 0.00 C ATOM 516 C ASP A 33 -3.059 5.418 1.604 1.00 0.00 C ATOM 517 O ASP A 33 -3.636 6.258 0.913 1.00 0.00 O ATOM 518 CB ASP A 33 -2.174 5.103 3.923 1.00 0.00 C ATOM 519 CG ASP A 33 -1.207 6.256 3.734 1.00 0.00 C ATOM 520 OD1 ASP A 33 -0.315 6.155 2.863 1.00 0.00 O ATOM 521 OD2 ASP A 33 -1.309 7.249 4.479 1.00 0.00 O ATOM 0 H ASP A 33 -3.938 3.415 4.014 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.029 6.085 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.460 5.048 4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.665 4.170 3.682 1.00 0.00 H new ATOM 526 N GLY A 34 -2.089 4.644 1.137 1.00 0.00 N ATOM 527 CA GLY A 34 -1.592 4.818 -0.211 1.00 0.00 C ATOM 528 C GLY A 34 -0.111 4.521 -0.324 1.00 0.00 C ATOM 529 O GLY A 34 0.380 4.217 -1.407 1.00 0.00 O ATOM 0 H GLY A 34 -1.638 3.899 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.143 4.163 -0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.780 5.841 -0.535 1.00 0.00 H new ATOM 533 N HIS A 35 0.611 4.630 0.792 1.00 0.00 N ATOM 534 CA HIS A 35 2.032 4.275 0.817 1.00 0.00 C ATOM 535 C HIS A 35 2.247 2.889 0.210 1.00 0.00 C ATOM 536 O HIS A 35 1.534 1.942 0.548 1.00 0.00 O ATOM 537 CB HIS A 35 2.609 4.350 2.246 1.00 0.00 C ATOM 538 CG HIS A 35 2.003 3.398 3.246 1.00 0.00 C ATOM 539 ND1 HIS A 35 2.745 2.482 3.967 1.00 0.00 N ATOM 540 CD2 HIS A 35 0.727 3.252 3.672 1.00 0.00 C ATOM 541 CE1 HIS A 35 1.947 1.819 4.784 1.00 0.00 C ATOM 542 NE2 HIS A 35 0.717 2.267 4.629 1.00 0.00 N ATOM 0 H HIS A 35 0.240 4.958 1.684 1.00 0.00 H new ATOM 0 HA HIS A 35 2.571 5.004 0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.681 4.161 2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.482 5.367 2.617 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.129 3.810 3.322 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.252 1.039 5.466 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.105 1.937 5.135 1.00 0.00 H new ATOM 551 N ALA A 36 3.228 2.791 -0.690 1.00 0.00 N ATOM 552 CA ALA A 36 3.483 1.570 -1.459 1.00 0.00 C ATOM 553 C ALA A 36 3.617 0.346 -0.561 1.00 0.00 C ATOM 554 O ALA A 36 3.228 -0.755 -0.942 1.00 0.00 O ATOM 555 CB ALA A 36 4.734 1.735 -2.304 1.00 0.00 C ATOM 0 H ALA A 36 3.868 3.555 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 36 2.623 1.408 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.913 0.821 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.600 2.569 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.588 1.933 -1.656 1.00 0.00 H new ATOM 561 N GLU A 37 4.164 0.557 0.628 1.00 0.00 N ATOM 562 CA GLU A 37 4.308 -0.495 1.626 1.00 0.00 C ATOM 563 C GLU A 37 2.984 -1.235 1.860 1.00 0.00 C ATOM 564 O GLU A 37 2.969 -2.442 2.087 1.00 0.00 O ATOM 565 CB GLU A 37 4.800 0.129 2.928 1.00 0.00 C ATOM 566 CG GLU A 37 4.916 -0.839 4.089 1.00 0.00 C ATOM 567 CD GLU A 37 5.205 -0.120 5.387 1.00 0.00 C ATOM 568 OE1 GLU A 37 4.938 1.098 5.460 1.00 0.00 O ATOM 569 OE2 GLU A 37 5.694 -0.763 6.338 1.00 0.00 O ATOM 0 H GLU A 37 4.521 1.464 0.929 1.00 0.00 H new ATOM 0 HA GLU A 37 5.029 -1.227 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.775 0.583 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.120 0.933 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.990 -1.406 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.710 -1.558 3.886 1.00 0.00 H new ATOM 576 N TYR A 38 1.875 -0.507 1.774 1.00 0.00 N ATOM 577 CA TYR A 38 0.563 -1.090 2.011 1.00 0.00 C ATOM 578 C TYR A 38 0.179 -2.052 0.895 1.00 0.00 C ATOM 579 O TYR A 38 -0.350 -3.134 1.155 1.00 0.00 O ATOM 580 CB TYR A 38 -0.504 -0.002 2.146 1.00 0.00 C ATOM 581 CG TYR A 38 -1.904 -0.559 2.258 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.327 -1.201 3.415 1.00 0.00 C ATOM 583 CD2 TYR A 38 -2.796 -0.464 1.196 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.598 -1.728 3.512 1.00 0.00 C ATOM 585 CE2 TYR A 38 -4.069 -0.992 1.286 1.00 0.00 C ATOM 586 CZ TYR A 38 -4.464 -1.622 2.446 1.00 0.00 C ATOM 587 OH TYR A 38 -5.732 -2.150 2.541 1.00 0.00 O ATOM 0 H TYR A 38 1.861 0.486 1.542 1.00 0.00 H new ATOM 0 HA TYR A 38 0.619 -1.646 2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.288 0.604 3.026 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.451 0.661 1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.650 -1.289 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.489 0.030 0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.913 -2.222 4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.751 -0.912 0.452 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.216 -1.990 1.704 1.00 0.00 H new ATOM 597 N LEU A 39 0.449 -1.669 -0.348 1.00 0.00 N ATOM 598 CA LEU A 39 0.074 -2.504 -1.479 1.00 0.00 C ATOM 599 C LEU A 39 0.958 -3.746 -1.516 1.00 0.00 C ATOM 600 O LEU A 39 0.581 -4.769 -2.084 1.00 0.00 O ATOM 601 CB LEU A 39 0.133 -1.713 -2.798 1.00 0.00 C ATOM 602 CG LEU A 39 1.524 -1.444 -3.380 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.926 -2.551 -4.341 1.00 0.00 C ATOM 604 CD2 LEU A 39 1.557 -0.103 -4.091 1.00 0.00 C ATOM 0 H LEU A 39 0.919 -0.798 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.960 -2.827 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.449 -2.253 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.361 -0.754 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 39 2.236 -1.420 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.917 -2.341 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.943 -3.504 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.206 -2.603 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.554 0.069 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.829 -0.104 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.311 0.690 -3.384 1.00 0.00 H new ATOM 616 N VAL A 40 2.127 -3.653 -0.885 1.00 0.00 N ATOM 617 CA VAL A 40 2.991 -4.813 -0.692 1.00 0.00 C ATOM 618 C VAL A 40 2.258 -5.869 0.129 1.00 0.00 C ATOM 619 O VAL A 40 2.245 -7.052 -0.223 1.00 0.00 O ATOM 620 CB VAL A 40 4.308 -4.428 0.021 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.165 -5.655 0.285 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.087 -3.409 -0.795 1.00 0.00 C ATOM 0 H VAL A 40 2.497 -2.784 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 40 3.242 -5.212 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 40 4.047 -3.979 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.085 -5.355 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.617 -6.352 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.409 -6.139 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.009 -3.154 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.327 -3.831 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.484 -2.511 -0.927 1.00 0.00 H new ATOM 632 N GLY A 41 1.627 -5.424 1.210 1.00 0.00 N ATOM 633 CA GLY A 41 0.824 -6.315 2.021 1.00 0.00 C ATOM 634 C GLY A 41 -0.354 -6.871 1.246 1.00 0.00 C ATOM 635 O GLY A 41 -0.741 -8.026 1.429 1.00 0.00 O ATOM 0 H GLY A 41 1.659 -4.459 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.443 -7.137 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.462 -5.780 2.899 1.00 0.00 H new ATOM 639 N LYS A 42 -0.918 -6.047 0.370 1.00 0.00 N ATOM 640 CA LYS A 42 -2.009 -6.475 -0.500 1.00 0.00 C ATOM 641 C LYS A 42 -1.547 -7.562 -1.466 1.00 0.00 C ATOM 642 O LYS A 42 -2.304 -8.477 -1.786 1.00 0.00 O ATOM 643 CB LYS A 42 -2.584 -5.282 -1.270 1.00 0.00 C ATOM 644 CG LYS A 42 -3.652 -4.526 -0.497 1.00 0.00 C ATOM 645 CD LYS A 42 -4.869 -5.407 -0.267 1.00 0.00 C ATOM 646 CE LYS A 42 -5.923 -4.728 0.585 1.00 0.00 C ATOM 647 NZ LYS A 42 -7.130 -5.582 0.732 1.00 0.00 N ATOM 0 H LYS A 42 -0.637 -5.075 0.243 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.795 -6.894 0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.775 -4.597 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.007 -5.635 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.250 -4.195 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.943 -3.631 -1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.304 -5.679 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.557 -6.333 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.510 -4.505 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.201 -3.776 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.593 -5.375 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.791 -5.386 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.852 -6.584 0.706 1.00 0.00 H new ATOM 661 N LEU A 43 -0.303 -7.467 -1.917 1.00 0.00 N ATOM 662 CA LEU A 43 0.273 -8.489 -2.783 1.00 0.00 C ATOM 663 C LEU A 43 0.435 -9.797 -2.014 1.00 0.00 C ATOM 664 O LEU A 43 0.260 -10.884 -2.568 1.00 0.00 O ATOM 665 CB LEU A 43 1.622 -8.030 -3.340 1.00 0.00 C ATOM 666 CG LEU A 43 1.577 -6.761 -4.196 1.00 0.00 C ATOM 667 CD1 LEU A 43 2.968 -6.405 -4.700 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.612 -6.930 -5.361 1.00 0.00 C ATOM 0 H LEU A 43 0.326 -6.694 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.404 -8.653 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.303 -7.862 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.044 -8.838 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 43 1.218 -5.942 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.915 -5.501 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.630 -6.235 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.357 -7.225 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.596 -6.017 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.937 -7.763 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.389 -7.131 -4.978 1.00 0.00 H new ATOM 680 N GLN A 44 0.761 -9.684 -0.732 1.00 0.00 N ATOM 681 CA GLN A 44 0.874 -10.850 0.138 1.00 0.00 C ATOM 682 C GLN A 44 -0.509 -11.425 0.435 1.00 0.00 C ATOM 683 O GLN A 44 -0.667 -12.629 0.625 1.00 0.00 O ATOM 684 CB GLN A 44 1.578 -10.473 1.445 1.00 0.00 C ATOM 685 CG GLN A 44 2.987 -9.939 1.247 1.00 0.00 C ATOM 686 CD GLN A 44 3.635 -9.511 2.546 1.00 0.00 C ATOM 687 OE1 GLN A 44 3.518 -8.361 2.963 1.00 0.00 O ATOM 688 NE2 GLN A 44 4.328 -10.433 3.194 1.00 0.00 N ATOM 0 H GLN A 44 0.952 -8.795 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 44 1.467 -11.608 -0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.983 -9.721 1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.619 -11.350 2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.600 -10.707 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.957 -9.091 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.401 -11.377 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.789 -10.200 4.073 1.00 0.00 H new ATOM 697 N GLU A 45 -1.506 -10.554 0.464 1.00 0.00 N ATOM 698 CA GLU A 45 -2.883 -10.961 0.708 1.00 0.00 C ATOM 699 C GLU A 45 -3.461 -11.694 -0.501 1.00 0.00 C ATOM 700 O GLU A 45 -3.862 -12.855 -0.407 1.00 0.00 O ATOM 701 CB GLU A 45 -3.741 -9.733 1.030 1.00 0.00 C ATOM 702 CG GLU A 45 -5.213 -10.049 1.224 1.00 0.00 C ATOM 703 CD GLU A 45 -6.041 -8.808 1.482 1.00 0.00 C ATOM 704 OE1 GLU A 45 -6.523 -8.195 0.510 1.00 0.00 O ATOM 705 OE2 GLU A 45 -6.211 -8.435 2.661 1.00 0.00 O ATOM 0 H GLU A 45 -1.386 -9.551 0.320 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.891 -11.643 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.358 -9.261 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.638 -9.007 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.592 -10.558 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.327 -10.739 2.061 1.00 0.00 H new ATOM 712 N ARG A 46 -3.482 -11.011 -1.638 1.00 0.00 N ATOM 713 CA ARG A 46 -4.118 -11.531 -2.840 1.00 0.00 C ATOM 714 C ARG A 46 -3.339 -12.703 -3.426 1.00 0.00 C ATOM 715 O ARG A 46 -3.924 -13.715 -3.806 1.00 0.00 O ATOM 716 CB ARG A 46 -4.253 -10.421 -3.882 1.00 0.00 C ATOM 717 CG ARG A 46 -5.093 -9.243 -3.413 1.00 0.00 C ATOM 718 CD ARG A 46 -6.542 -9.637 -3.173 1.00 0.00 C ATOM 719 NE ARG A 46 -7.217 -10.038 -4.406 1.00 0.00 N ATOM 720 CZ ARG A 46 -8.522 -9.898 -4.621 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.298 -9.355 -3.692 1.00 0.00 N ATOM 722 NH2 ARG A 46 -9.047 -10.297 -5.772 1.00 0.00 N ATOM 0 H ARG A 46 -3.062 -10.088 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.108 -11.893 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.259 -10.063 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.697 -10.836 -4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.670 -8.839 -2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.052 -8.449 -4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.580 -10.458 -2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.075 -8.798 -2.725 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.652 -10.451 -5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.894 -9.043 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.298 -9.249 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.450 -10.710 -6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.047 -10.191 -5.940 1.00 0.00 H new ATOM 736 N TYR A 47 -2.026 -12.567 -3.501 1.00 0.00 N ATOM 737 CA TYR A 47 -1.193 -13.616 -4.071 1.00 0.00 C ATOM 738 C TYR A 47 -0.509 -14.420 -2.974 1.00 0.00 C ATOM 739 O TYR A 47 -0.730 -15.623 -2.843 1.00 0.00 O ATOM 740 CB TYR A 47 -0.144 -13.019 -5.009 1.00 0.00 C ATOM 741 CG TYR A 47 -0.725 -12.369 -6.244 1.00 0.00 C ATOM 742 CD1 TYR A 47 -1.159 -11.049 -6.224 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.833 -13.077 -7.435 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.683 -10.454 -7.355 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.354 -12.487 -8.569 1.00 0.00 C ATOM 746 CZ TYR A 47 -1.777 -11.178 -8.523 1.00 0.00 C ATOM 747 OH TYR A 47 -2.299 -10.592 -9.650 1.00 0.00 O ATOM 0 H TYR A 47 -1.515 -11.746 -3.177 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.838 -14.284 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.440 -12.279 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.545 -13.806 -5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.085 -10.479 -5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.504 -14.105 -7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.017 -9.427 -7.324 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.429 -13.050 -9.488 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.294 -11.238 -10.387 1.00 0.00 H new ATOM 757 N GLY A 48 0.316 -13.746 -2.187 1.00 0.00 N ATOM 758 CA GLY A 48 1.032 -14.415 -1.119 1.00 0.00 C ATOM 759 C GLY A 48 2.490 -14.631 -1.450 1.00 0.00 C ATOM 760 O GLY A 48 3.002 -15.743 -1.335 1.00 0.00 O ATOM 0 H GLY A 48 0.503 -12.747 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.953 -13.824 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.562 -15.377 -0.917 1.00 0.00 H new ATOM 764 N TRP A 49 3.165 -13.568 -1.860 1.00 0.00 N ATOM 765 CA TRP A 49 4.577 -13.654 -2.199 1.00 0.00 C ATOM 766 C TRP A 49 5.444 -13.343 -0.991 1.00 0.00 C ATOM 767 O TRP A 49 4.958 -12.867 0.038 1.00 0.00 O ATOM 768 CB TRP A 49 4.937 -12.677 -3.317 1.00 0.00 C ATOM 769 CG TRP A 49 4.167 -12.873 -4.581 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.828 -14.056 -5.170 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.664 -11.841 -5.430 1.00 0.00 C ATOM 772 NE1 TRP A 49 3.133 -13.820 -6.330 1.00 0.00 N ATOM 773 CE2 TRP A 49 3.022 -12.466 -6.512 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.690 -10.445 -5.377 1.00 0.00 C ATOM 775 CZ2 TRP A 49 2.413 -11.746 -7.532 1.00 0.00 C ATOM 776 CZ3 TRP A 49 3.085 -9.731 -6.391 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.454 -10.383 -7.456 1.00 0.00 C ATOM 0 H TRP A 49 2.759 -12.638 -1.966 1.00 0.00 H new ATOM 0 HA TRP A 49 4.763 -14.675 -2.534 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.773 -11.660 -2.961 1.00 0.00 H new ATOM 0 HB3 TRP A 49 6.001 -12.771 -3.536 1.00 0.00 H new ATOM 0 HD1 TRP A 49 4.071 -15.034 -4.781 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.760 -14.535 -6.954 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.174 -9.934 -4.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.925 -12.246 -8.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.099 -8.651 -6.362 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.989 -9.796 -8.235 1.00 0.00 H new ATOM 788 N SER A 50 6.732 -13.610 -1.123 1.00 0.00 N ATOM 789 CA SER A 50 7.697 -13.211 -0.121 1.00 0.00 C ATOM 790 C SER A 50 7.939 -11.706 -0.219 1.00 0.00 C ATOM 791 O SER A 50 7.696 -11.102 -1.268 1.00 0.00 O ATOM 792 CB SER A 50 8.993 -13.992 -0.318 1.00 0.00 C ATOM 793 OG SER A 50 8.732 -15.387 -0.326 1.00 0.00 O ATOM 0 H SER A 50 7.132 -14.104 -1.920 1.00 0.00 H new ATOM 0 HA SER A 50 7.314 -13.433 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.464 -13.698 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.695 -13.751 0.480 1.00 0.00 H new ATOM 0 HG SER A 50 9.571 -15.876 -0.455 1.00 0.00 H new ATOM 799 N LYS A 51 8.422 -11.113 0.863 1.00 0.00 N ATOM 800 CA LYS A 51 8.549 -9.663 0.962 1.00 0.00 C ATOM 801 C LYS A 51 9.451 -9.094 -0.137 1.00 0.00 C ATOM 802 O LYS A 51 9.096 -8.110 -0.787 1.00 0.00 O ATOM 803 CB LYS A 51 9.082 -9.277 2.347 1.00 0.00 C ATOM 804 CG LYS A 51 9.161 -7.775 2.588 1.00 0.00 C ATOM 805 CD LYS A 51 7.815 -7.096 2.374 1.00 0.00 C ATOM 806 CE LYS A 51 6.763 -7.587 3.357 1.00 0.00 C ATOM 807 NZ LYS A 51 7.110 -7.257 4.764 1.00 0.00 N ATOM 0 H LYS A 51 8.735 -11.617 1.692 1.00 0.00 H new ATOM 0 HA LYS A 51 7.558 -9.231 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.441 -9.723 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.075 -9.707 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.505 -7.588 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.900 -7.338 1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.933 -6.017 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.474 -7.282 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.800 -7.141 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.650 -8.666 3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.295 -7.456 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.921 -7.834 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.358 -6.249 4.833 1.00 0.00 H new ATOM 821 N GLU A 52 10.597 -9.729 -0.357 1.00 0.00 N ATOM 822 CA GLU A 52 11.551 -9.257 -1.359 1.00 0.00 C ATOM 823 C GLU A 52 10.956 -9.309 -2.764 1.00 0.00 C ATOM 824 O GLU A 52 11.280 -8.484 -3.621 1.00 0.00 O ATOM 825 CB GLU A 52 12.836 -10.085 -1.316 1.00 0.00 C ATOM 826 CG GLU A 52 12.614 -11.568 -1.557 1.00 0.00 C ATOM 827 CD GLU A 52 13.903 -12.302 -1.850 1.00 0.00 C ATOM 828 OE1 GLU A 52 14.280 -12.386 -3.040 1.00 0.00 O ATOM 829 OE2 GLU A 52 14.541 -12.797 -0.900 1.00 0.00 O ATOM 0 H GLU A 52 10.889 -10.569 0.142 1.00 0.00 H new ATOM 0 HA GLU A 52 11.784 -8.219 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.529 -9.704 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.312 -9.951 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.139 -12.009 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.926 -11.699 -2.392 1.00 0.00 H new ATOM 836 N ARG A 53 10.079 -10.280 -2.991 1.00 0.00 N ATOM 837 CA ARG A 53 9.451 -10.446 -4.291 1.00 0.00 C ATOM 838 C ARG A 53 8.389 -9.379 -4.488 1.00 0.00 C ATOM 839 O ARG A 53 8.300 -8.764 -5.551 1.00 0.00 O ATOM 840 CB ARG A 53 8.822 -11.835 -4.418 1.00 0.00 C ATOM 841 CG ARG A 53 8.340 -12.157 -5.826 1.00 0.00 C ATOM 842 CD ARG A 53 7.601 -13.482 -5.876 1.00 0.00 C ATOM 843 NE ARG A 53 8.376 -14.571 -5.284 1.00 0.00 N ATOM 844 CZ ARG A 53 8.067 -15.861 -5.411 1.00 0.00 C ATOM 845 NH1 ARG A 53 7.057 -16.237 -6.189 1.00 0.00 N ATOM 846 NH2 ARG A 53 8.788 -16.778 -4.775 1.00 0.00 N ATOM 0 H ARG A 53 9.789 -10.962 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 53 10.216 -10.344 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.551 -12.585 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.981 -11.909 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.684 -11.361 -6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.193 -12.190 -6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.652 -13.386 -5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.367 -13.727 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 53 9.204 -14.329 -4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.513 -15.536 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.826 -17.226 -6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.575 -16.494 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.554 -17.766 -4.870 1.00 0.00 H new ATOM 860 N ALA A 54 7.591 -9.156 -3.446 1.00 0.00 N ATOM 861 CA ALA A 54 6.540 -8.149 -3.486 1.00 0.00 C ATOM 862 C ALA A 54 7.126 -6.763 -3.738 1.00 0.00 C ATOM 863 O ALA A 54 6.615 -6.008 -4.565 1.00 0.00 O ATOM 864 CB ALA A 54 5.743 -8.168 -2.190 1.00 0.00 C ATOM 0 H ALA A 54 7.655 -9.662 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 54 5.868 -8.385 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.960 -7.410 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.290 -9.150 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.407 -7.957 -1.352 1.00 0.00 H new ATOM 870 N GLU A 55 8.213 -6.445 -3.039 1.00 0.00 N ATOM 871 CA GLU A 55 8.897 -5.171 -3.224 1.00 0.00 C ATOM 872 C GLU A 55 9.428 -5.032 -4.647 1.00 0.00 C ATOM 873 O GLU A 55 9.359 -3.955 -5.238 1.00 0.00 O ATOM 874 CB GLU A 55 10.038 -5.021 -2.215 1.00 0.00 C ATOM 875 CG GLU A 55 9.565 -4.695 -0.806 1.00 0.00 C ATOM 876 CD GLU A 55 10.707 -4.402 0.146 1.00 0.00 C ATOM 877 OE1 GLU A 55 11.502 -3.481 -0.138 1.00 0.00 O ATOM 878 OE2 GLU A 55 10.794 -5.065 1.199 1.00 0.00 O ATOM 0 H GLU A 55 8.638 -7.053 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 55 8.172 -4.376 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.615 -5.946 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.711 -4.234 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.899 -3.833 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.983 -5.532 -0.421 1.00 0.00 H new ATOM 885 N GLN A 56 9.948 -6.123 -5.195 1.00 0.00 N ATOM 886 CA GLN A 56 10.447 -6.129 -6.568 1.00 0.00 C ATOM 887 C GLN A 56 9.326 -5.804 -7.553 1.00 0.00 C ATOM 888 O GLN A 56 9.521 -5.033 -8.497 1.00 0.00 O ATOM 889 CB GLN A 56 11.077 -7.484 -6.905 1.00 0.00 C ATOM 890 CG GLN A 56 11.550 -7.593 -8.348 1.00 0.00 C ATOM 891 CD GLN A 56 12.299 -8.879 -8.629 1.00 0.00 C ATOM 892 OE1 GLN A 56 13.001 -9.387 -7.630 1.00 0.00 O flip ATOM 893 NE2 GLN A 56 12.255 -9.409 -9.738 1.00 0.00 N flip ATOM 0 H GLN A 56 10.036 -7.017 -4.711 1.00 0.00 H new ATOM 0 HA GLN A 56 11.213 -5.359 -6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.923 -7.658 -6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.350 -8.272 -6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.689 -7.528 -9.013 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.195 -6.745 -8.578 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.702 -8.986 -10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.772 -10.271 -9.912 1.00 0.00 H new ATOM 902 N GLU A 57 8.155 -6.388 -7.320 1.00 0.00 N ATOM 903 CA GLU A 57 6.982 -6.122 -8.143 1.00 0.00 C ATOM 904 C GLU A 57 6.601 -4.647 -8.080 1.00 0.00 C ATOM 905 O GLU A 57 6.311 -4.022 -9.102 1.00 0.00 O ATOM 906 CB GLU A 57 5.813 -6.987 -7.676 1.00 0.00 C ATOM 907 CG GLU A 57 5.969 -8.460 -8.009 1.00 0.00 C ATOM 908 CD GLU A 57 5.869 -8.721 -9.495 1.00 0.00 C ATOM 909 OE1 GLU A 57 4.763 -8.574 -10.053 1.00 0.00 O ATOM 910 OE2 GLU A 57 6.894 -9.064 -10.121 1.00 0.00 O ATOM 0 H GLU A 57 7.994 -7.052 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 57 7.221 -6.370 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.701 -6.878 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.894 -6.617 -8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.933 -8.814 -7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.201 -9.032 -7.488 1.00 0.00 H new ATOM 917 N VAL A 58 6.613 -4.096 -6.872 1.00 0.00 N ATOM 918 CA VAL A 58 6.319 -2.683 -6.665 1.00 0.00 C ATOM 919 C VAL A 58 7.361 -1.814 -7.362 1.00 0.00 C ATOM 920 O VAL A 58 7.027 -0.834 -8.026 1.00 0.00 O ATOM 921 CB VAL A 58 6.276 -2.329 -5.162 1.00 0.00 C ATOM 922 CG1 VAL A 58 5.948 -0.858 -4.955 1.00 0.00 C ATOM 923 CG2 VAL A 58 5.271 -3.206 -4.440 1.00 0.00 C ATOM 0 H VAL A 58 6.824 -4.610 -6.017 1.00 0.00 H new ATOM 0 HA VAL A 58 5.336 -2.488 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 58 7.265 -2.515 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.924 -0.637 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.710 -0.244 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.975 -0.637 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.253 -2.944 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.281 -3.053 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.556 -4.252 -4.550 1.00 0.00 H new ATOM 933 N ARG A 59 8.623 -2.195 -7.216 1.00 0.00 N ATOM 934 CA ARG A 59 9.722 -1.465 -7.828 1.00 0.00 C ATOM 935 C ARG A 59 9.603 -1.474 -9.348 1.00 0.00 C ATOM 936 O ARG A 59 9.797 -0.447 -9.989 1.00 0.00 O ATOM 937 CB ARG A 59 11.062 -2.057 -7.386 1.00 0.00 C ATOM 938 CG ARG A 59 12.266 -1.467 -8.102 1.00 0.00 C ATOM 939 CD ARG A 59 13.557 -1.798 -7.373 1.00 0.00 C ATOM 940 NE ARG A 59 13.657 -1.072 -6.109 1.00 0.00 N ATOM 941 CZ ARG A 59 13.968 -1.635 -4.942 1.00 0.00 C ATOM 942 NH1 ARG A 59 14.206 -2.939 -4.861 1.00 0.00 N ATOM 943 NH2 ARG A 59 14.031 -0.892 -3.847 1.00 0.00 N ATOM 0 H ARG A 59 8.911 -3.011 -6.675 1.00 0.00 H new ATOM 0 HA ARG A 59 9.673 -0.428 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.179 -1.903 -6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.045 -3.134 -7.554 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.311 -1.853 -9.120 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.154 -0.385 -8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.605 -2.870 -7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.408 -1.548 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 59 13.477 -0.068 -6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.152 -3.520 -5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.443 -3.359 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.842 0.109 -3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.269 -1.321 -2.953 1.00 0.00 H new ATOM 957 N ASP A 60 9.261 -2.628 -9.913 1.00 0.00 N ATOM 958 CA ASP A 60 9.088 -2.750 -11.359 1.00 0.00 C ATOM 959 C ASP A 60 8.004 -1.796 -11.844 1.00 0.00 C ATOM 960 O ASP A 60 8.182 -1.080 -12.830 1.00 0.00 O ATOM 961 CB ASP A 60 8.722 -4.187 -11.739 1.00 0.00 C ATOM 962 CG ASP A 60 8.536 -4.369 -13.235 1.00 0.00 C ATOM 963 OD1 ASP A 60 9.545 -4.550 -13.946 1.00 0.00 O ATOM 964 OD2 ASP A 60 7.376 -4.349 -13.705 1.00 0.00 O ATOM 0 H ASP A 60 9.098 -3.491 -9.394 1.00 0.00 H new ATOM 0 HA ASP A 60 10.032 -2.490 -11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.504 -4.861 -11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.803 -4.471 -11.226 1.00 0.00 H new ATOM 969 N PHE A 61 6.891 -1.779 -11.123 1.00 0.00 N ATOM 970 CA PHE A 61 5.783 -0.896 -11.443 1.00 0.00 C ATOM 971 C PHE A 61 6.192 0.568 -11.301 1.00 0.00 C ATOM 972 O PHE A 61 5.974 1.372 -12.206 1.00 0.00 O ATOM 973 CB PHE A 61 4.594 -1.201 -10.527 1.00 0.00 C ATOM 974 CG PHE A 61 3.414 -0.291 -10.739 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.615 -0.424 -11.860 1.00 0.00 C ATOM 976 CD2 PHE A 61 3.108 0.693 -9.811 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.530 0.408 -12.057 1.00 0.00 C ATOM 978 CE2 PHE A 61 2.025 1.527 -10.004 1.00 0.00 C ATOM 979 CZ PHE A 61 1.236 1.384 -11.127 1.00 0.00 C ATOM 0 H PHE A 61 6.733 -2.372 -10.308 1.00 0.00 H new ATOM 0 HA PHE A 61 5.494 -1.069 -12.480 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.279 -2.232 -10.687 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.918 -1.124 -9.489 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.842 -1.187 -12.590 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.722 0.808 -8.930 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.914 0.295 -12.937 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.795 2.291 -9.276 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.388 2.036 -11.278 1.00 0.00 H new ATOM 989 N SER A 62 6.803 0.897 -10.170 1.00 0.00 N ATOM 990 CA SER A 62 7.170 2.271 -9.859 1.00 0.00 C ATOM 991 C SER A 62 8.259 2.788 -10.796 1.00 0.00 C ATOM 992 O SER A 62 8.270 3.968 -11.149 1.00 0.00 O ATOM 993 CB SER A 62 7.639 2.376 -8.403 1.00 0.00 C ATOM 994 OG SER A 62 7.919 3.719 -8.041 1.00 0.00 O ATOM 0 H SER A 62 7.056 0.223 -9.447 1.00 0.00 H new ATOM 0 HA SER A 62 6.284 2.891 -10.000 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.871 1.973 -7.743 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.532 1.767 -8.263 1.00 0.00 H new ATOM 0 HG SER A 62 8.621 3.734 -7.357 1.00 0.00 H new ATOM 1000 N ASP A 63 9.169 1.912 -11.198 1.00 0.00 N ATOM 1001 CA ASP A 63 10.274 2.299 -12.071 1.00 0.00 C ATOM 1002 C ASP A 63 9.763 2.596 -13.476 1.00 0.00 C ATOM 1003 O ASP A 63 10.318 3.431 -14.191 1.00 0.00 O ATOM 1004 CB ASP A 63 11.336 1.193 -12.118 1.00 0.00 C ATOM 1005 CG ASP A 63 12.609 1.627 -12.817 1.00 0.00 C ATOM 1006 OD1 ASP A 63 13.326 2.492 -12.269 1.00 0.00 O ATOM 1007 OD2 ASP A 63 12.904 1.109 -13.915 1.00 0.00 O ATOM 0 H ASP A 63 9.166 0.927 -10.934 1.00 0.00 H new ATOM 0 HA ASP A 63 10.730 3.202 -11.666 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.574 0.881 -11.101 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.925 0.323 -12.630 1.00 0.00 H new ATOM 1012 N ARG A 64 8.680 1.925 -13.850 1.00 0.00 N ATOM 1013 CA ARG A 64 8.081 2.103 -15.167 1.00 0.00 C ATOM 1014 C ARG A 64 6.971 3.152 -15.140 1.00 0.00 C ATOM 1015 O ARG A 64 6.194 3.264 -16.088 1.00 0.00 O ATOM 1016 CB ARG A 64 7.527 0.775 -15.686 1.00 0.00 C ATOM 1017 CG ARG A 64 8.598 -0.227 -16.083 1.00 0.00 C ATOM 1018 CD ARG A 64 7.980 -1.484 -16.667 1.00 0.00 C ATOM 1019 NE ARG A 64 8.987 -2.417 -17.173 1.00 0.00 N ATOM 1020 CZ ARG A 64 8.699 -3.581 -17.749 1.00 0.00 C ATOM 1021 NH1 ARG A 64 7.433 -3.949 -17.895 1.00 0.00 N ATOM 1022 NH2 ARG A 64 9.676 -4.372 -18.180 1.00 0.00 N ATOM 0 H ARG A 64 8.197 1.250 -13.257 1.00 0.00 H new ATOM 0 HA ARG A 64 8.864 2.454 -15.839 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.895 0.331 -14.917 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.889 0.971 -16.548 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.270 0.224 -16.813 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.200 -0.485 -15.212 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.381 -1.980 -15.903 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.303 -1.211 -17.476 1.00 0.00 H new ATOM 0 HE ARG A 64 9.969 -2.159 -17.078 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.684 -3.340 -17.566 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.209 -4.841 -18.336 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.649 -4.087 -18.069 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.453 -5.264 -18.621 1.00 0.00 H new ATOM 1036 N LEU A 65 6.895 3.914 -14.058 1.00 0.00 N ATOM 1037 CA LEU A 65 5.936 5.007 -13.971 1.00 0.00 C ATOM 1038 C LEU A 65 6.511 6.259 -14.613 1.00 0.00 C ATOM 1039 O LEU A 65 6.051 6.629 -15.713 1.00 0.00 O ATOM 1040 CB LEU A 65 5.547 5.295 -12.519 1.00 0.00 C ATOM 1041 CG LEU A 65 4.738 4.195 -11.833 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.383 4.601 -10.414 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.477 3.894 -12.625 1.00 0.00 C ATOM 1044 OXT LEU A 65 7.447 6.847 -14.032 1.00 0.00 O ATOM 0 H LEU A 65 7.482 3.797 -13.232 1.00 0.00 H new ATOM 0 HA LEU A 65 5.036 4.706 -14.508 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.456 5.468 -11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.971 6.220 -12.490 1.00 0.00 H new ATOM 0 HG LEU A 65 5.349 3.293 -11.792 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.807 3.805 -9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.297 4.774 -9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.790 5.515 -10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.911 3.109 -12.124 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.866 4.794 -12.693 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.747 3.563 -13.628 1.00 0.00 H new TER 1056 LEU A 65