USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=14 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 Set 1.1: A 14 THR OG1 : rot -130:sc= 0.00693 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.00421 X(o=0.011,f=-0.35) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 1.27 (180deg=0.952) USER MOD Single : A 2 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.046) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0192) USER MOD Single : A 12 GLN : amide:sc= -0.912 K(o=-0.91,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc=-0.00419 (180deg=-0.105) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0382) USER MOD Single : A 25 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 35 HIS : no HE2:sc= -0.916! C(o=-0.92!,f=-8.8!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= 1.07 (180deg=0.789) USER MOD Single : A 44 GLN : amide:sc= -1.39! C(o=-1.4!,f=-13!) USER MOD Single : A 47 TYR OH : rot 165:sc= -1.12 USER MOD Single : A 50 SER OG : rot 180:sc= 0.258 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 2.4 (180deg=2.32) USER MOD Single : A 56 GLN : amide:sc= -4.67! K(o=-4.7!,f=-0.77) USER MOD Single : A 62 SER OG : rot 75:sc= -0.6 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.520 9.202 -0.796 1.00 0.00 N ATOM 2 CA MET A 1 16.864 7.989 -1.336 1.00 0.00 C ATOM 3 C MET A 1 15.381 8.002 -1.004 1.00 0.00 C ATOM 4 O MET A 1 14.974 7.535 0.058 1.00 0.00 O ATOM 5 CB MET A 1 17.509 6.718 -0.772 1.00 0.00 C ATOM 6 CG MET A 1 18.914 6.445 -1.287 1.00 0.00 C ATOM 7 SD MET A 1 20.107 7.702 -0.789 1.00 0.00 S ATOM 8 CE MET A 1 21.612 7.041 -1.504 1.00 0.00 C ATOM 0 H1 MET A 1 18.477 8.962 -0.467 1.00 0.00 H new ATOM 0 H2 MET A 1 17.581 9.925 -1.541 1.00 0.00 H new ATOM 0 H3 MET A 1 16.963 9.572 0.001 1.00 0.00 H new ATOM 0 HA MET A 1 16.992 7.991 -2.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.542 6.793 0.315 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.874 5.865 -1.013 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.246 5.473 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.891 6.386 -2.375 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.444 7.709 -1.282 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.814 6.057 -1.082 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.494 6.955 -2.584 1.00 0.00 H new ATOM 18 N ASN A 2 14.571 8.550 -1.899 1.00 0.00 N ATOM 19 CA ASN A 2 13.145 8.678 -1.635 1.00 0.00 C ATOM 20 C ASN A 2 12.317 8.136 -2.793 1.00 0.00 C ATOM 21 O ASN A 2 12.564 8.457 -3.958 1.00 0.00 O ATOM 22 CB ASN A 2 12.771 10.142 -1.337 1.00 0.00 C ATOM 23 CG ASN A 2 12.976 11.071 -2.520 1.00 0.00 C ATOM 24 OD1 ASN A 2 14.084 11.547 -2.764 1.00 0.00 O ATOM 25 ND2 ASN A 2 11.905 11.372 -3.235 1.00 0.00 N ATOM 0 H ASN A 2 14.872 8.910 -2.805 1.00 0.00 H new ATOM 0 HA ASN A 2 12.917 8.080 -0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 2 11.727 10.186 -1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 2 13.368 10.498 -0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 2 11.981 12.019 -4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.003 10.957 -3.002 1.00 0.00 H new ATOM 32 N SER A 3 11.361 7.283 -2.461 1.00 0.00 N ATOM 33 CA SER A 3 10.421 6.757 -3.436 1.00 0.00 C ATOM 34 C SER A 3 9.086 6.466 -2.756 1.00 0.00 C ATOM 35 O SER A 3 8.922 5.438 -2.095 1.00 0.00 O ATOM 36 CB SER A 3 10.972 5.488 -4.098 1.00 0.00 C ATOM 37 OG SER A 3 10.116 5.030 -5.134 1.00 0.00 O ATOM 0 H SER A 3 11.216 6.937 -1.512 1.00 0.00 H new ATOM 0 HA SER A 3 10.271 7.504 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.963 5.689 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.088 4.706 -3.348 1.00 0.00 H new ATOM 0 HG SER A 3 10.495 4.221 -5.538 1.00 0.00 H new ATOM 43 N ASP A 4 8.151 7.396 -2.883 1.00 0.00 N ATOM 44 CA ASP A 4 6.829 7.241 -2.286 1.00 0.00 C ATOM 45 C ASP A 4 5.769 7.881 -3.172 1.00 0.00 C ATOM 46 O ASP A 4 4.660 8.173 -2.729 1.00 0.00 O ATOM 47 CB ASP A 4 6.788 7.837 -0.870 1.00 0.00 C ATOM 48 CG ASP A 4 7.147 9.310 -0.822 1.00 0.00 C ATOM 49 OD1 ASP A 4 6.255 10.155 -1.039 1.00 0.00 O ATOM 50 OD2 ASP A 4 8.323 9.631 -0.540 1.00 0.00 O ATOM 0 H ASP A 4 8.282 8.268 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 4 6.615 6.175 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.789 7.701 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.476 7.283 -0.231 1.00 0.00 H new ATOM 55 N VAL A 5 6.121 8.047 -4.445 1.00 0.00 N ATOM 56 CA VAL A 5 5.236 8.639 -5.452 1.00 0.00 C ATOM 57 C VAL A 5 3.875 7.930 -5.507 1.00 0.00 C ATOM 58 O VAL A 5 2.858 8.539 -5.855 1.00 0.00 O ATOM 59 CB VAL A 5 5.913 8.588 -6.847 1.00 0.00 C ATOM 60 CG1 VAL A 5 6.338 7.168 -7.192 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.000 9.142 -7.933 1.00 0.00 C ATOM 0 H VAL A 5 7.033 7.774 -4.811 1.00 0.00 H new ATOM 0 HA VAL A 5 5.058 9.676 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 5 6.801 9.218 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.810 7.158 -8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.046 6.809 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.462 6.519 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.507 9.090 -8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.084 8.553 -7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.754 10.180 -7.707 1.00 0.00 H new ATOM 71 N ILE A 6 3.865 6.656 -5.128 1.00 0.00 N ATOM 72 CA ILE A 6 2.668 5.824 -5.197 1.00 0.00 C ATOM 73 C ILE A 6 1.513 6.428 -4.397 1.00 0.00 C ATOM 74 O ILE A 6 0.388 6.510 -4.888 1.00 0.00 O ATOM 75 CB ILE A 6 2.946 4.397 -4.672 1.00 0.00 C ATOM 76 CG1 ILE A 6 4.206 3.817 -5.323 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.750 3.494 -4.934 1.00 0.00 C ATOM 78 CD1 ILE A 6 4.129 3.722 -6.833 1.00 0.00 C ATOM 0 H ILE A 6 4.686 6.171 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 6 2.385 5.776 -6.249 1.00 0.00 H new ATOM 0 HB ILE A 6 3.111 4.453 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.061 4.436 -5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.389 2.823 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.961 2.493 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.873 3.895 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.558 3.447 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.058 3.302 -7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.295 3.079 -7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.978 4.716 -7.253 1.00 0.00 H new ATOM 90 N LYS A 7 1.802 6.878 -3.180 1.00 0.00 N ATOM 91 CA LYS A 7 0.756 7.354 -2.282 1.00 0.00 C ATOM 92 C LYS A 7 0.187 8.688 -2.751 1.00 0.00 C ATOM 93 O LYS A 7 -0.973 9.000 -2.489 1.00 0.00 O ATOM 94 CB LYS A 7 1.275 7.487 -0.847 1.00 0.00 C ATOM 95 CG LYS A 7 2.365 8.529 -0.669 1.00 0.00 C ATOM 96 CD LYS A 7 2.709 8.723 0.796 1.00 0.00 C ATOM 97 CE LYS A 7 3.736 9.823 0.986 1.00 0.00 C ATOM 98 NZ LYS A 7 3.985 10.104 2.425 1.00 0.00 N ATOM 0 H LYS A 7 2.745 6.923 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.042 6.611 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.440 7.737 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.657 6.520 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.256 8.223 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.038 9.477 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.805 8.968 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.094 7.790 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.671 9.535 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.391 10.732 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.692 10.861 2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.098 10.404 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.339 9.244 2.891 1.00 0.00 H new ATOM 112 N GLY A 8 1.008 9.468 -3.444 1.00 0.00 N ATOM 113 CA GLY A 8 0.576 10.774 -3.902 1.00 0.00 C ATOM 114 C GLY A 8 -0.375 10.687 -5.075 1.00 0.00 C ATOM 115 O GLY A 8 -1.333 11.455 -5.173 1.00 0.00 O ATOM 0 H GLY A 8 1.964 9.219 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.090 11.301 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.448 11.363 -4.187 1.00 0.00 H new ATOM 119 N LYS A 9 -0.124 9.739 -5.965 1.00 0.00 N ATOM 120 CA LYS A 9 -0.938 9.580 -7.163 1.00 0.00 C ATOM 121 C LYS A 9 -1.910 8.420 -6.981 1.00 0.00 C ATOM 122 O LYS A 9 -2.501 7.940 -7.943 1.00 0.00 O ATOM 123 CB LYS A 9 -0.047 9.312 -8.382 1.00 0.00 C ATOM 124 CG LYS A 9 1.239 10.126 -8.407 1.00 0.00 C ATOM 125 CD LYS A 9 0.974 11.621 -8.452 1.00 0.00 C ATOM 126 CE LYS A 9 2.272 12.406 -8.368 1.00 0.00 C ATOM 127 NZ LYS A 9 2.050 13.870 -8.469 1.00 0.00 N ATOM 0 H LYS A 9 0.638 9.066 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.497 10.501 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.207 8.252 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.616 9.524 -9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.832 9.891 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.832 9.838 -9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.451 11.874 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.320 11.903 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.771 12.180 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.941 12.086 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.963 14.365 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.598 14.091 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.434 14.182 -7.692 1.00 0.00 H new ATOM 141 N TRP A 10 -2.090 8.017 -5.728 1.00 0.00 N ATOM 142 CA TRP A 10 -2.812 6.799 -5.365 1.00 0.00 C ATOM 143 C TRP A 10 -4.167 6.671 -6.064 1.00 0.00 C ATOM 144 O TRP A 10 -4.455 5.644 -6.677 1.00 0.00 O ATOM 145 CB TRP A 10 -2.989 6.773 -3.846 1.00 0.00 C ATOM 146 CG TRP A 10 -3.689 5.561 -3.322 1.00 0.00 C ATOM 147 CD1 TRP A 10 -4.938 5.519 -2.782 1.00 0.00 C ATOM 148 CD2 TRP A 10 -3.183 4.223 -3.275 1.00 0.00 C ATOM 149 NE1 TRP A 10 -5.243 4.236 -2.397 1.00 0.00 N ATOM 150 CE2 TRP A 10 -4.180 3.421 -2.688 1.00 0.00 C ATOM 151 CE3 TRP A 10 -1.983 3.623 -3.668 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -4.014 2.052 -2.488 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -1.822 2.264 -3.470 1.00 0.00 C ATOM 154 CH2 TRP A 10 -2.831 1.493 -2.883 1.00 0.00 C ATOM 0 H TRP A 10 -1.734 8.533 -4.923 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.221 5.946 -5.700 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.007 6.840 -3.378 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.548 7.659 -3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.594 6.370 -2.672 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.118 3.938 -1.965 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.196 4.210 -4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.792 1.454 -2.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.901 1.789 -3.774 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -2.672 0.435 -2.739 1.00 0.00 H new ATOM 165 N LYS A 11 -4.984 7.717 -6.003 1.00 0.00 N ATOM 166 CA LYS A 11 -6.341 7.657 -6.541 1.00 0.00 C ATOM 167 C LYS A 11 -6.347 7.545 -8.067 1.00 0.00 C ATOM 168 O LYS A 11 -7.349 7.156 -8.668 1.00 0.00 O ATOM 169 CB LYS A 11 -7.147 8.880 -6.088 1.00 0.00 C ATOM 170 CG LYS A 11 -7.301 8.972 -4.575 1.00 0.00 C ATOM 171 CD LYS A 11 -7.977 7.732 -4.013 1.00 0.00 C ATOM 172 CE LYS A 11 -7.988 7.731 -2.491 1.00 0.00 C ATOM 173 NZ LYS A 11 -8.774 8.866 -1.932 1.00 0.00 N ATOM 0 H LYS A 11 -4.733 8.614 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.811 6.755 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.659 9.784 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.136 8.845 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.321 9.095 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.886 9.855 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.001 7.677 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.460 6.842 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.407 6.790 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.964 7.784 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.810 8.786 -0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.321 9.765 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.741 8.841 -2.315 1.00 0.00 H new ATOM 187 N GLN A 12 -5.227 7.879 -8.691 1.00 0.00 N ATOM 188 CA GLN A 12 -5.089 7.746 -10.135 1.00 0.00 C ATOM 189 C GLN A 12 -4.353 6.453 -10.479 1.00 0.00 C ATOM 190 O GLN A 12 -4.599 5.839 -11.520 1.00 0.00 O ATOM 191 CB GLN A 12 -4.333 8.944 -10.711 1.00 0.00 C ATOM 192 CG GLN A 12 -4.148 8.877 -12.218 1.00 0.00 C ATOM 193 CD GLN A 12 -3.373 10.055 -12.774 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.666 9.927 -13.773 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.507 11.208 -12.141 1.00 0.00 N ATOM 0 H GLN A 12 -4.399 8.245 -8.220 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.086 7.714 -10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.871 9.858 -10.459 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.354 9.009 -10.235 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.628 7.954 -12.474 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.126 8.835 -12.697 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.104 11.271 -11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.014 12.035 -12.478 1.00 0.00 H new ATOM 204 N LEU A 13 -3.460 6.040 -9.594 1.00 0.00 N ATOM 205 CA LEU A 13 -2.644 4.858 -9.827 1.00 0.00 C ATOM 206 C LEU A 13 -3.428 3.576 -9.588 1.00 0.00 C ATOM 207 O LEU A 13 -3.010 2.517 -10.031 1.00 0.00 O ATOM 208 CB LEU A 13 -1.394 4.867 -8.942 1.00 0.00 C ATOM 209 CG LEU A 13 -0.354 5.932 -9.287 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.844 5.816 -8.359 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.084 5.806 -10.738 1.00 0.00 C ATOM 0 H LEU A 13 -3.281 6.507 -8.705 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.340 4.886 -10.873 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.704 5.008 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.920 3.887 -9.002 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.808 6.914 -9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.578 6.580 -8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.520 5.955 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.294 4.829 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.825 6.574 -10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.521 4.821 -10.902 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.779 5.933 -11.391 1.00 0.00 H new ATOM 223 N THR A 14 -4.566 3.674 -8.907 1.00 0.00 N ATOM 224 CA THR A 14 -5.372 2.498 -8.602 1.00 0.00 C ATOM 225 C THR A 14 -5.743 1.721 -9.870 1.00 0.00 C ATOM 226 O THR A 14 -5.760 0.490 -9.868 1.00 0.00 O ATOM 227 CB THR A 14 -6.644 2.875 -7.812 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.223 4.080 -8.332 1.00 0.00 O ATOM 229 CG2 THR A 14 -6.322 3.065 -6.337 1.00 0.00 C ATOM 0 H THR A 14 -4.949 4.552 -8.557 1.00 0.00 H new ATOM 0 HA THR A 14 -4.760 1.849 -7.976 1.00 0.00 H new ATOM 0 HB THR A 14 -7.359 2.059 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.397 4.703 -7.596 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.231 3.330 -5.797 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.916 2.138 -5.931 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.588 3.863 -6.225 1.00 0.00 H new ATOM 237 N GLY A 15 -6.002 2.440 -10.957 1.00 0.00 N ATOM 238 CA GLY A 15 -6.304 1.795 -12.223 1.00 0.00 C ATOM 239 C GLY A 15 -5.077 1.171 -12.867 1.00 0.00 C ATOM 240 O GLY A 15 -5.182 0.195 -13.609 1.00 0.00 O ATOM 0 H GLY A 15 -6.008 3.460 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.058 1.024 -12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.736 2.527 -12.906 1.00 0.00 H new ATOM 244 N LYS A 16 -3.910 1.728 -12.566 1.00 0.00 N ATOM 245 CA LYS A 16 -2.653 1.237 -13.125 1.00 0.00 C ATOM 246 C LYS A 16 -2.091 0.099 -12.280 1.00 0.00 C ATOM 247 O LYS A 16 -1.410 -0.789 -12.790 1.00 0.00 O ATOM 248 CB LYS A 16 -1.638 2.377 -13.231 1.00 0.00 C ATOM 249 CG LYS A 16 -2.022 3.432 -14.255 1.00 0.00 C ATOM 250 CD LYS A 16 -1.066 4.613 -14.227 1.00 0.00 C ATOM 251 CE LYS A 16 -1.377 5.612 -15.330 1.00 0.00 C ATOM 252 NZ LYS A 16 -1.054 5.074 -16.677 1.00 0.00 N ATOM 0 H LYS A 16 -3.806 2.523 -11.936 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.851 0.851 -14.125 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.531 2.850 -12.255 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.664 1.964 -13.493 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.025 2.989 -15.251 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.036 3.779 -14.058 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.128 5.109 -13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.042 4.256 -14.337 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.433 5.879 -15.290 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.810 6.527 -15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.119 5.837 -17.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.089 4.687 -16.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.728 4.321 -16.921 1.00 0.00 H new ATOM 266 N ILE A 17 -2.376 0.132 -10.986 1.00 0.00 N ATOM 267 CA ILE A 17 -2.024 -0.964 -10.095 1.00 0.00 C ATOM 268 C ILE A 17 -2.799 -2.214 -10.493 1.00 0.00 C ATOM 269 O ILE A 17 -2.244 -3.310 -10.561 1.00 0.00 O ATOM 270 CB ILE A 17 -2.325 -0.606 -8.620 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.480 0.592 -8.180 1.00 0.00 C ATOM 272 CG2 ILE A 17 -2.065 -1.796 -7.708 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.788 1.072 -6.780 1.00 0.00 C ATOM 0 H ILE A 17 -2.852 0.909 -10.528 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.954 -1.150 -10.186 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.379 -0.341 -8.544 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.425 0.322 -8.238 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.638 1.413 -8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.284 -1.519 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.705 -2.628 -8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.020 -2.095 -7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.151 1.923 -6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.834 1.374 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.602 0.266 -6.070 1.00 0.00 H new ATOM 285 N LYS A 18 -4.078 -2.022 -10.798 1.00 0.00 N ATOM 286 CA LYS A 18 -4.941 -3.106 -11.249 1.00 0.00 C ATOM 287 C LYS A 18 -4.537 -3.554 -12.655 1.00 0.00 C ATOM 288 O LYS A 18 -4.866 -4.657 -13.096 1.00 0.00 O ATOM 289 CB LYS A 18 -6.400 -2.640 -11.238 1.00 0.00 C ATOM 290 CG LYS A 18 -7.404 -3.772 -11.354 1.00 0.00 C ATOM 291 CD LYS A 18 -8.833 -3.260 -11.309 1.00 0.00 C ATOM 292 CE LYS A 18 -9.828 -4.401 -11.158 1.00 0.00 C ATOM 293 NZ LYS A 18 -9.741 -5.379 -12.277 1.00 0.00 N ATOM 0 H LYS A 18 -4.543 -1.116 -10.740 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.833 -3.954 -10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.590 -2.091 -10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.555 -1.943 -12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.239 -4.311 -12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.246 -4.483 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.946 -2.565 -10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.051 -2.704 -12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.647 -4.915 -10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.838 -3.995 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.503 -6.081 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.839 -4.879 -13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.820 -5.862 -12.245 1.00 0.00 H new ATOM 307 N GLU A 19 -3.825 -2.679 -13.352 1.00 0.00 N ATOM 308 CA GLU A 19 -3.314 -2.978 -14.681 1.00 0.00 C ATOM 309 C GLU A 19 -2.107 -3.907 -14.575 1.00 0.00 C ATOM 310 O GLU A 19 -1.977 -4.866 -15.333 1.00 0.00 O ATOM 311 CB GLU A 19 -2.935 -1.675 -15.395 1.00 0.00 C ATOM 312 CG GLU A 19 -2.473 -1.853 -16.831 1.00 0.00 C ATOM 313 CD GLU A 19 -3.511 -2.524 -17.699 1.00 0.00 C ATOM 314 OE1 GLU A 19 -4.680 -2.074 -17.697 1.00 0.00 O ATOM 315 OE2 GLU A 19 -3.163 -3.495 -18.402 1.00 0.00 O ATOM 0 H GLU A 19 -3.587 -1.747 -13.014 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.086 -3.481 -15.263 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.796 -1.006 -15.384 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.143 -1.184 -14.830 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.228 -0.878 -17.253 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.558 -2.445 -16.843 1.00 0.00 H new ATOM 322 N ARG A 20 -1.233 -3.616 -13.618 1.00 0.00 N ATOM 323 CA ARG A 20 -0.069 -4.455 -13.361 1.00 0.00 C ATOM 324 C ARG A 20 -0.476 -5.750 -12.667 1.00 0.00 C ATOM 325 O ARG A 20 -0.031 -6.833 -13.046 1.00 0.00 O ATOM 326 CB ARG A 20 0.957 -3.696 -12.515 1.00 0.00 C ATOM 327 CG ARG A 20 1.872 -2.795 -13.333 1.00 0.00 C ATOM 328 CD ARG A 20 3.163 -3.508 -13.718 1.00 0.00 C ATOM 329 NE ARG A 20 2.920 -4.803 -14.356 1.00 0.00 N ATOM 330 CZ ARG A 20 3.775 -5.829 -14.313 1.00 0.00 C ATOM 331 NH1 ARG A 20 4.957 -5.692 -13.723 1.00 0.00 N ATOM 332 NH2 ARG A 20 3.452 -6.985 -14.875 1.00 0.00 N ATOM 0 H ARG A 20 -1.309 -2.803 -13.006 1.00 0.00 H new ATOM 0 HA ARG A 20 0.386 -4.710 -14.318 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.431 -3.091 -11.776 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.565 -4.414 -11.965 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.352 -2.470 -14.234 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.108 -1.898 -12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.736 -2.875 -14.396 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.773 -3.655 -12.827 1.00 0.00 H new ATOM 0 HE ARG A 20 2.045 -4.930 -14.864 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.216 -4.801 -13.300 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.606 -6.478 -13.693 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.551 -7.092 -15.340 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.105 -7.768 -14.842 1.00 0.00 H new ATOM 346 N TRP A 21 -1.330 -5.633 -11.662 1.00 0.00 N ATOM 347 CA TRP A 21 -1.808 -6.793 -10.925 1.00 0.00 C ATOM 348 C TRP A 21 -3.326 -6.884 -11.041 1.00 0.00 C ATOM 349 O TRP A 21 -4.058 -6.159 -10.369 1.00 0.00 O ATOM 350 CB TRP A 21 -1.375 -6.700 -9.460 1.00 0.00 C ATOM 351 CG TRP A 21 0.104 -6.506 -9.295 1.00 0.00 C ATOM 352 CD1 TRP A 21 1.091 -7.402 -9.598 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.765 -5.340 -8.787 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.322 -6.860 -9.314 1.00 0.00 N ATOM 355 CE2 TRP A 21 2.149 -5.597 -8.813 1.00 0.00 C ATOM 356 CE3 TRP A 21 0.322 -4.104 -8.312 1.00 0.00 C ATOM 357 CZ2 TRP A 21 3.088 -4.663 -8.385 1.00 0.00 C ATOM 358 CZ3 TRP A 21 1.256 -3.177 -7.886 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.626 -3.462 -7.925 1.00 0.00 C ATOM 0 H TRP A 21 -1.708 -4.743 -11.337 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.373 -7.698 -11.350 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.900 -5.871 -8.984 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.677 -7.609 -8.940 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.928 -8.390 -10.001 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.220 -7.324 -9.454 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.733 -3.875 -8.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.146 -4.880 -8.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.923 -2.218 -7.517 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.331 -2.718 -7.585 1.00 0.00 H new ATOM 370 N GLY A 22 -3.787 -7.790 -11.894 1.00 0.00 N ATOM 371 CA GLY A 22 -5.186 -7.816 -12.283 1.00 0.00 C ATOM 372 C GLY A 22 -6.113 -8.477 -11.281 1.00 0.00 C ATOM 373 O GLY A 22 -7.331 -8.470 -11.472 1.00 0.00 O ATOM 0 H GLY A 22 -3.213 -8.513 -12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.522 -6.792 -12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.274 -8.337 -13.236 1.00 0.00 H new ATOM 377 N ASP A 23 -5.569 -9.053 -10.220 1.00 0.00 N ATOM 378 CA ASP A 23 -6.408 -9.716 -9.227 1.00 0.00 C ATOM 379 C ASP A 23 -6.773 -8.753 -8.098 1.00 0.00 C ATOM 380 O ASP A 23 -7.645 -9.040 -7.276 1.00 0.00 O ATOM 381 CB ASP A 23 -5.720 -10.964 -8.675 1.00 0.00 C ATOM 382 CG ASP A 23 -6.649 -11.802 -7.816 1.00 0.00 C ATOM 383 OD1 ASP A 23 -7.658 -12.315 -8.348 1.00 0.00 O ATOM 384 OD2 ASP A 23 -6.379 -11.946 -6.606 1.00 0.00 O ATOM 0 H ASP A 23 -4.568 -9.077 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.329 -10.030 -9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.351 -11.569 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.853 -10.667 -8.085 1.00 0.00 H new ATOM 389 N LEU A 24 -6.112 -7.603 -8.076 1.00 0.00 N ATOM 390 CA LEU A 24 -6.419 -6.555 -7.105 1.00 0.00 C ATOM 391 C LEU A 24 -7.610 -5.739 -7.581 1.00 0.00 C ATOM 392 O LEU A 24 -7.541 -5.100 -8.630 1.00 0.00 O ATOM 393 CB LEU A 24 -5.210 -5.633 -6.911 1.00 0.00 C ATOM 394 CG LEU A 24 -4.028 -6.246 -6.159 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.818 -5.331 -6.241 1.00 0.00 C ATOM 396 CD2 LEU A 24 -4.398 -6.499 -4.707 1.00 0.00 C ATOM 0 H LEU A 24 -5.357 -7.370 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.660 -7.026 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.864 -5.306 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.537 -4.742 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.778 -7.199 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.985 -5.781 -5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.539 -5.189 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.061 -4.366 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.546 -6.935 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.671 -5.557 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.243 -7.186 -4.661 1.00 0.00 H new ATOM 408 N THR A 25 -8.698 -5.754 -6.823 1.00 0.00 N ATOM 409 CA THR A 25 -9.883 -5.013 -7.219 1.00 0.00 C ATOM 410 C THR A 25 -9.766 -3.559 -6.779 1.00 0.00 C ATOM 411 O THR A 25 -8.910 -3.216 -5.962 1.00 0.00 O ATOM 412 CB THR A 25 -11.179 -5.624 -6.640 1.00 0.00 C ATOM 413 OG1 THR A 25 -11.173 -5.551 -5.209 1.00 0.00 O ATOM 414 CG2 THR A 25 -11.339 -7.073 -7.077 1.00 0.00 C ATOM 0 H THR A 25 -8.783 -6.264 -5.944 1.00 0.00 H new ATOM 0 HA THR A 25 -9.946 -5.070 -8.306 1.00 0.00 H new ATOM 0 HB THR A 25 -12.020 -5.047 -7.024 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.542 -6.210 -4.850 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.258 -7.480 -6.657 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.385 -7.122 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.489 -7.656 -6.723 1.00 0.00 H new ATOM 422 N ASP A 26 -10.633 -2.708 -7.308 1.00 0.00 N ATOM 423 CA ASP A 26 -10.585 -1.285 -6.995 1.00 0.00 C ATOM 424 C ASP A 26 -10.943 -1.029 -5.535 1.00 0.00 C ATOM 425 O ASP A 26 -10.520 -0.034 -4.957 1.00 0.00 O ATOM 426 CB ASP A 26 -11.494 -0.470 -7.929 1.00 0.00 C ATOM 427 CG ASP A 26 -12.923 -0.985 -8.013 1.00 0.00 C ATOM 428 OD1 ASP A 26 -13.330 -1.816 -7.174 1.00 0.00 O ATOM 429 OD2 ASP A 26 -13.643 -0.564 -8.941 1.00 0.00 O ATOM 0 H ASP A 26 -11.376 -2.975 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.559 -0.953 -7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.512 0.565 -7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.061 -0.469 -8.929 1.00 0.00 H new ATOM 434 N ASP A 27 -11.699 -1.938 -4.935 1.00 0.00 N ATOM 435 CA ASP A 27 -12.066 -1.810 -3.530 1.00 0.00 C ATOM 436 C ASP A 27 -10.863 -2.059 -2.629 1.00 0.00 C ATOM 437 O ASP A 27 -10.728 -1.437 -1.577 1.00 0.00 O ATOM 438 CB ASP A 27 -13.193 -2.782 -3.176 1.00 0.00 C ATOM 439 CG ASP A 27 -13.581 -2.717 -1.708 1.00 0.00 C ATOM 440 OD1 ASP A 27 -14.065 -1.654 -1.262 1.00 0.00 O ATOM 441 OD2 ASP A 27 -13.420 -3.731 -0.997 1.00 0.00 O ATOM 0 H ASP A 27 -12.069 -2.769 -5.396 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.416 -0.791 -3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.066 -2.559 -3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.882 -3.798 -3.421 1.00 0.00 H new ATOM 446 N ASP A 28 -9.982 -2.958 -3.059 1.00 0.00 N ATOM 447 CA ASP A 28 -8.790 -3.292 -2.281 1.00 0.00 C ATOM 448 C ASP A 28 -7.809 -2.130 -2.292 1.00 0.00 C ATOM 449 O ASP A 28 -7.049 -1.930 -1.344 1.00 0.00 O ATOM 450 CB ASP A 28 -8.084 -4.535 -2.840 1.00 0.00 C ATOM 451 CG ASP A 28 -8.961 -5.768 -2.871 1.00 0.00 C ATOM 452 OD1 ASP A 28 -9.507 -6.147 -1.814 1.00 0.00 O ATOM 453 OD2 ASP A 28 -9.116 -6.359 -3.962 1.00 0.00 O ATOM 0 H ASP A 28 -10.069 -3.467 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.117 -3.498 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.736 -4.321 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.201 -4.743 -2.236 1.00 0.00 H new ATOM 458 N LEU A 29 -7.824 -1.370 -3.377 1.00 0.00 N ATOM 459 CA LEU A 29 -6.867 -0.294 -3.560 1.00 0.00 C ATOM 460 C LEU A 29 -7.440 1.049 -3.117 1.00 0.00 C ATOM 461 O LEU A 29 -6.814 1.775 -2.352 1.00 0.00 O ATOM 462 CB LEU A 29 -6.445 -0.224 -5.026 1.00 0.00 C ATOM 463 CG LEU A 29 -5.870 -1.522 -5.593 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.628 -1.389 -7.085 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.583 -1.898 -4.875 1.00 0.00 C ATOM 0 H LEU A 29 -8.489 -1.480 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.998 -0.506 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.309 0.065 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.701 0.565 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.597 -2.318 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.219 -2.322 -7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.570 -1.170 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.922 -0.579 -7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.190 -2.825 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.849 -1.102 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.786 -2.037 -3.813 1.00 0.00 H new ATOM 477 N GLN A 30 -8.644 1.369 -3.564 1.00 0.00 N ATOM 478 CA GLN A 30 -9.261 2.649 -3.237 1.00 0.00 C ATOM 479 C GLN A 30 -9.837 2.610 -1.826 1.00 0.00 C ATOM 480 O GLN A 30 -11.038 2.801 -1.624 1.00 0.00 O ATOM 481 CB GLN A 30 -10.348 2.997 -4.258 1.00 0.00 C ATOM 482 CG GLN A 30 -9.811 3.171 -5.669 1.00 0.00 C ATOM 483 CD GLN A 30 -10.873 3.582 -6.669 1.00 0.00 C ATOM 484 OE1 GLN A 30 -12.050 3.250 -6.526 1.00 0.00 O ATOM 485 NE2 GLN A 30 -10.457 4.300 -7.702 1.00 0.00 N ATOM 0 H GLN A 30 -9.214 0.763 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.498 3.426 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.103 2.210 -4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.846 3.916 -3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.021 3.922 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.357 2.235 -5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.472 4.554 -7.783 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.121 4.599 -8.416 1.00 0.00 H new ATOM 494 N ALA A 31 -8.959 2.361 -0.861 1.00 0.00 N ATOM 495 CA ALA A 31 -9.346 2.166 0.527 1.00 0.00 C ATOM 496 C ALA A 31 -8.114 2.103 1.424 1.00 0.00 C ATOM 497 O ALA A 31 -8.169 1.568 2.532 1.00 0.00 O ATOM 498 CB ALA A 31 -10.109 0.864 0.649 1.00 0.00 C ATOM 0 H ALA A 31 -7.954 2.289 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.969 3.004 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.403 0.710 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.000 0.904 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.475 0.039 0.326 1.00 0.00 H new ATOM 504 N ALA A 32 -7.008 2.660 0.957 1.00 0.00 N ATOM 505 CA ALA A 32 -5.733 2.439 1.620 1.00 0.00 C ATOM 506 C ALA A 32 -4.956 3.728 1.843 1.00 0.00 C ATOM 507 O ALA A 32 -5.344 4.801 1.375 1.00 0.00 O ATOM 508 CB ALA A 32 -4.900 1.464 0.808 1.00 0.00 C ATOM 0 H ALA A 32 -6.966 3.260 0.133 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.946 2.023 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.945 1.299 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.432 0.517 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.725 1.875 -0.186 1.00 0.00 H new ATOM 514 N ASP A 33 -3.867 3.599 2.594 1.00 0.00 N ATOM 515 CA ASP A 33 -2.929 4.691 2.832 1.00 0.00 C ATOM 516 C ASP A 33 -2.258 5.112 1.529 1.00 0.00 C ATOM 517 O ASP A 33 -2.302 6.279 1.142 1.00 0.00 O ATOM 518 CB ASP A 33 -1.880 4.245 3.856 1.00 0.00 C ATOM 519 CG ASP A 33 -0.673 5.158 3.911 1.00 0.00 C ATOM 520 OD1 ASP A 33 0.249 4.965 3.096 1.00 0.00 O ATOM 521 OD2 ASP A 33 -0.624 6.045 4.785 1.00 0.00 O ATOM 0 H ASP A 33 -3.609 2.728 3.058 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.472 5.551 3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.340 4.203 4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.552 3.234 3.614 1.00 0.00 H new ATOM 526 N GLY A 34 -1.625 4.157 0.859 1.00 0.00 N ATOM 527 CA GLY A 34 -1.070 4.431 -0.447 1.00 0.00 C ATOM 528 C GLY A 34 0.421 4.172 -0.551 1.00 0.00 C ATOM 529 O GLY A 34 0.916 3.881 -1.637 1.00 0.00 O ATOM 0 H GLY A 34 -1.488 3.204 1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.587 3.819 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.266 5.472 -0.703 1.00 0.00 H new ATOM 533 N HIS A 35 1.150 4.285 0.555 1.00 0.00 N ATOM 534 CA HIS A 35 2.607 4.156 0.497 1.00 0.00 C ATOM 535 C HIS A 35 3.027 2.720 0.155 1.00 0.00 C ATOM 536 O HIS A 35 2.268 1.772 0.372 1.00 0.00 O ATOM 537 CB HIS A 35 3.267 4.656 1.794 1.00 0.00 C ATOM 538 CG HIS A 35 3.297 3.682 2.933 1.00 0.00 C ATOM 539 ND1 HIS A 35 2.227 3.461 3.760 1.00 0.00 N ATOM 540 CD2 HIS A 35 4.292 2.888 3.389 1.00 0.00 C ATOM 541 CE1 HIS A 35 2.557 2.577 4.680 1.00 0.00 C ATOM 542 NE2 HIS A 35 3.806 2.212 4.478 1.00 0.00 N ATOM 0 H HIS A 35 0.769 4.462 1.485 1.00 0.00 H new ATOM 0 HA HIS A 35 2.965 4.795 -0.310 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.291 4.951 1.567 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.743 5.553 2.123 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.316 3.911 3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.285 2.802 2.973 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.912 2.213 5.466 1.00 0.00 H new ATOM 551 N ALA A 36 4.254 2.585 -0.350 1.00 0.00 N ATOM 552 CA ALA A 36 4.733 1.355 -0.996 1.00 0.00 C ATOM 553 C ALA A 36 4.500 0.088 -0.170 1.00 0.00 C ATOM 554 O ALA A 36 4.062 -0.930 -0.704 1.00 0.00 O ATOM 555 CB ALA A 36 6.211 1.490 -1.326 1.00 0.00 C ATOM 0 H ALA A 36 4.951 3.329 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 36 4.144 1.238 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.562 0.576 -1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.357 2.333 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.775 1.658 -0.408 1.00 0.00 H new ATOM 561 N GLU A 37 4.787 0.154 1.125 1.00 0.00 N ATOM 562 CA GLU A 37 4.685 -1.015 1.997 1.00 0.00 C ATOM 563 C GLU A 37 3.266 -1.581 2.034 1.00 0.00 C ATOM 564 O GLU A 37 3.076 -2.777 2.264 1.00 0.00 O ATOM 565 CB GLU A 37 5.139 -0.664 3.412 1.00 0.00 C ATOM 566 CG GLU A 37 6.610 -0.299 3.509 1.00 0.00 C ATOM 567 CD GLU A 37 7.527 -1.433 3.087 1.00 0.00 C ATOM 568 OE1 GLU A 37 7.719 -2.376 3.886 1.00 0.00 O ATOM 569 OE2 GLU A 37 8.067 -1.378 1.965 1.00 0.00 O ATOM 0 H GLU A 37 5.093 1.005 1.597 1.00 0.00 H new ATOM 0 HA GLU A 37 5.339 -1.783 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.542 0.171 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.940 -1.511 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.805 0.572 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.842 -0.013 4.535 1.00 0.00 H new ATOM 576 N TYR A 38 2.272 -0.731 1.793 1.00 0.00 N ATOM 577 CA TYR A 38 0.886 -1.173 1.833 1.00 0.00 C ATOM 578 C TYR A 38 0.568 -1.997 0.592 1.00 0.00 C ATOM 579 O TYR A 38 -0.242 -2.926 0.640 1.00 0.00 O ATOM 580 CB TYR A 38 -0.067 0.019 1.942 1.00 0.00 C ATOM 581 CG TYR A 38 -1.404 -0.342 2.554 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.425 -0.900 1.792 1.00 0.00 C ATOM 583 CD2 TYR A 38 -1.639 -0.129 3.904 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.641 -1.234 2.364 1.00 0.00 C ATOM 585 CE2 TYR A 38 -2.848 -0.460 4.480 1.00 0.00 C ATOM 586 CZ TYR A 38 -3.847 -1.008 3.709 1.00 0.00 C ATOM 587 OH TYR A 38 -5.053 -1.331 4.286 1.00 0.00 O ATOM 0 H TYR A 38 2.400 0.256 1.571 1.00 0.00 H new ATOM 0 HA TYR A 38 0.747 -1.795 2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.402 0.798 2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.230 0.438 0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.267 -1.075 0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.861 0.304 4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.424 -1.669 1.760 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.010 -0.289 5.534 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.029 -1.108 5.240 1.00 0.00 H new ATOM 597 N LEU A 39 1.221 -1.660 -0.517 1.00 0.00 N ATOM 598 CA LEU A 39 1.103 -2.446 -1.740 1.00 0.00 C ATOM 599 C LEU A 39 1.626 -3.842 -1.482 1.00 0.00 C ATOM 600 O LEU A 39 1.007 -4.830 -1.860 1.00 0.00 O ATOM 601 CB LEU A 39 1.890 -1.819 -2.900 1.00 0.00 C ATOM 602 CG LEU A 39 1.244 -0.607 -3.575 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.218 0.589 -2.640 1.00 0.00 C ATOM 604 CD2 LEU A 39 1.986 -0.263 -4.856 1.00 0.00 C ATOM 0 H LEU A 39 1.836 -0.850 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 39 0.051 -2.473 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.871 -1.522 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.055 -2.586 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 39 0.214 -0.863 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.754 1.436 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.644 0.340 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.237 0.851 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.517 0.601 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.025 -0.030 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.949 -1.113 -5.538 1.00 0.00 H new ATOM 616 N VAL A 40 2.769 -3.901 -0.811 1.00 0.00 N ATOM 617 CA VAL A 40 3.379 -5.163 -0.426 1.00 0.00 C ATOM 618 C VAL A 40 2.398 -5.996 0.395 1.00 0.00 C ATOM 619 O VAL A 40 2.240 -7.191 0.158 1.00 0.00 O ATOM 620 CB VAL A 40 4.666 -4.929 0.390 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.349 -6.244 0.723 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.614 -4.013 -0.364 1.00 0.00 C ATOM 0 H VAL A 40 3.296 -3.078 -0.520 1.00 0.00 H new ATOM 0 HA VAL A 40 3.638 -5.702 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 40 4.388 -4.447 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.254 -6.049 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.673 -6.867 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.611 -6.762 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.517 -3.859 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.878 -4.469 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.128 -3.054 -0.542 1.00 0.00 H new ATOM 632 N GLY A 41 1.722 -5.344 1.338 1.00 0.00 N ATOM 633 CA GLY A 41 0.718 -6.018 2.140 1.00 0.00 C ATOM 634 C GLY A 41 -0.414 -6.565 1.293 1.00 0.00 C ATOM 635 O GLY A 41 -0.799 -7.721 1.435 1.00 0.00 O ATOM 0 H GLY A 41 1.853 -4.357 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.184 -6.834 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.316 -5.322 2.877 1.00 0.00 H new ATOM 639 N LYS A 42 -0.939 -5.732 0.400 1.00 0.00 N ATOM 640 CA LYS A 42 -1.992 -6.141 -0.516 1.00 0.00 C ATOM 641 C LYS A 42 -1.544 -7.283 -1.420 1.00 0.00 C ATOM 642 O LYS A 42 -2.331 -8.168 -1.746 1.00 0.00 O ATOM 643 CB LYS A 42 -2.439 -4.943 -1.350 1.00 0.00 C ATOM 644 CG LYS A 42 -3.330 -3.992 -0.577 1.00 0.00 C ATOM 645 CD LYS A 42 -4.755 -4.506 -0.535 1.00 0.00 C ATOM 646 CE LYS A 42 -5.523 -3.957 0.654 1.00 0.00 C ATOM 647 NZ LYS A 42 -5.193 -4.694 1.904 1.00 0.00 N ATOM 0 H LYS A 42 -0.647 -4.761 0.293 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.832 -6.508 0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.560 -4.404 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.972 -5.298 -2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.951 -3.875 0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.307 -3.006 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.267 -4.230 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.746 -5.595 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.291 -2.900 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.593 -4.027 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.401 -4.093 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.764 -5.562 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.183 -4.943 1.904 1.00 0.00 H new ATOM 661 N LEU A 43 -0.281 -7.268 -1.815 1.00 0.00 N ATOM 662 CA LEU A 43 0.265 -8.320 -2.659 1.00 0.00 C ATOM 663 C LEU A 43 0.356 -9.635 -1.889 1.00 0.00 C ATOM 664 O LEU A 43 0.257 -10.715 -2.470 1.00 0.00 O ATOM 665 CB LEU A 43 1.635 -7.911 -3.202 1.00 0.00 C ATOM 666 CG LEU A 43 1.620 -6.667 -4.095 1.00 0.00 C ATOM 667 CD1 LEU A 43 3.029 -6.260 -4.491 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.767 -6.906 -5.331 1.00 0.00 C ATOM 0 H LEU A 43 0.386 -6.538 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.407 -8.469 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.306 -7.731 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.050 -8.744 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 43 1.181 -5.849 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.987 -5.374 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.609 -6.038 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.503 -7.075 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.769 -6.011 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.175 -7.743 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.255 -7.136 -5.029 1.00 0.00 H new ATOM 680 N GLN A 44 0.524 -9.536 -0.576 1.00 0.00 N ATOM 681 CA GLN A 44 0.531 -10.714 0.282 1.00 0.00 C ATOM 682 C GLN A 44 -0.895 -11.171 0.552 1.00 0.00 C ATOM 683 O GLN A 44 -1.214 -12.355 0.449 1.00 0.00 O ATOM 684 CB GLN A 44 1.236 -10.419 1.609 1.00 0.00 C ATOM 685 CG GLN A 44 2.666 -9.917 1.467 1.00 0.00 C ATOM 686 CD GLN A 44 3.576 -10.890 0.743 1.00 0.00 C ATOM 687 OE1 GLN A 44 3.152 -11.622 -0.148 1.00 0.00 O ATOM 688 NE2 GLN A 44 4.839 -10.912 1.133 1.00 0.00 N ATOM 0 H GLN A 44 0.657 -8.653 -0.083 1.00 0.00 H new ATOM 0 HA GLN A 44 1.075 -11.506 -0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.656 -9.676 2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.241 -11.327 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.659 -8.969 0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.074 -9.718 2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.154 -10.289 1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.498 -11.552 0.690 1.00 0.00 H new ATOM 697 N GLU A 45 -1.745 -10.210 0.886 1.00 0.00 N ATOM 698 CA GLU A 45 -3.146 -10.467 1.190 1.00 0.00 C ATOM 699 C GLU A 45 -3.869 -11.093 0.001 1.00 0.00 C ATOM 700 O GLU A 45 -4.572 -12.096 0.141 1.00 0.00 O ATOM 701 CB GLU A 45 -3.832 -9.156 1.581 1.00 0.00 C ATOM 702 CG GLU A 45 -5.336 -9.273 1.745 1.00 0.00 C ATOM 703 CD GLU A 45 -5.982 -7.962 2.132 1.00 0.00 C ATOM 704 OE1 GLU A 45 -6.105 -7.077 1.262 1.00 0.00 O ATOM 705 OE2 GLU A 45 -6.359 -7.802 3.309 1.00 0.00 O ATOM 0 H GLU A 45 -1.482 -9.227 0.954 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.191 -11.172 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.401 -8.797 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.617 -8.404 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.773 -9.628 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.558 -10.022 2.506 1.00 0.00 H new ATOM 712 N ARG A 46 -3.686 -10.498 -1.166 1.00 0.00 N ATOM 713 CA ARG A 46 -4.407 -10.913 -2.356 1.00 0.00 C ATOM 714 C ARG A 46 -3.757 -12.132 -2.998 1.00 0.00 C ATOM 715 O ARG A 46 -4.438 -13.093 -3.349 1.00 0.00 O ATOM 716 CB ARG A 46 -4.460 -9.760 -3.357 1.00 0.00 C ATOM 717 CG ARG A 46 -5.557 -9.900 -4.394 1.00 0.00 C ATOM 718 CD ARG A 46 -6.929 -9.910 -3.743 1.00 0.00 C ATOM 719 NE ARG A 46 -7.998 -9.904 -4.730 1.00 0.00 N ATOM 720 CZ ARG A 46 -9.253 -10.246 -4.467 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.592 -10.670 -3.254 1.00 0.00 N ATOM 722 NH2 ARG A 46 -10.168 -10.184 -5.423 1.00 0.00 N ATOM 0 H ARG A 46 -3.041 -9.722 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.420 -11.187 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.603 -8.826 -2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.499 -9.688 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.495 -9.077 -5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.412 -10.821 -4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.024 -10.792 -3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.029 -9.040 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.769 -9.620 -5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.886 -10.734 -2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.558 -10.932 -3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.907 -9.874 -6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.133 -10.446 -5.223 1.00 0.00 H new ATOM 736 N TYR A 47 -2.438 -12.096 -3.141 1.00 0.00 N ATOM 737 CA TYR A 47 -1.722 -13.168 -3.816 1.00 0.00 C ATOM 738 C TYR A 47 -1.032 -14.078 -2.813 1.00 0.00 C ATOM 739 O TYR A 47 -1.511 -15.172 -2.520 1.00 0.00 O ATOM 740 CB TYR A 47 -0.684 -12.600 -4.787 1.00 0.00 C ATOM 741 CG TYR A 47 -1.267 -11.749 -5.890 1.00 0.00 C ATOM 742 CD1 TYR A 47 -1.506 -10.395 -5.698 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.573 -12.303 -7.126 1.00 0.00 C ATOM 744 CE1 TYR A 47 -2.034 -9.617 -6.708 1.00 0.00 C ATOM 745 CE2 TYR A 47 -2.099 -11.533 -8.140 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.330 -10.190 -7.926 1.00 0.00 C ATOM 747 OH TYR A 47 -2.856 -9.414 -8.933 1.00 0.00 O ATOM 0 H TYR A 47 -1.846 -11.339 -2.800 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.454 -13.750 -4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.035 -12.004 -4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.132 -13.426 -5.235 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.275 -9.944 -4.744 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.396 -13.355 -7.295 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.214 -8.565 -6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.329 -11.978 -9.097 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.786 -9.892 -9.785 1.00 0.00 H new ATOM 757 N GLY A 48 0.082 -13.607 -2.274 1.00 0.00 N ATOM 758 CA GLY A 48 0.868 -14.420 -1.374 1.00 0.00 C ATOM 759 C GLY A 48 2.238 -14.723 -1.944 1.00 0.00 C ATOM 760 O GLY A 48 2.506 -15.841 -2.385 1.00 0.00 O ATOM 0 H GLY A 48 0.456 -12.673 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.977 -13.905 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.342 -15.354 -1.174 1.00 0.00 H new ATOM 764 N TRP A 49 3.098 -13.719 -1.949 1.00 0.00 N ATOM 765 CA TRP A 49 4.455 -13.860 -2.456 1.00 0.00 C ATOM 766 C TRP A 49 5.443 -13.672 -1.312 1.00 0.00 C ATOM 767 O TRP A 49 5.060 -13.657 -0.143 1.00 0.00 O ATOM 768 CB TRP A 49 4.748 -12.813 -3.539 1.00 0.00 C ATOM 769 CG TRP A 49 3.797 -12.813 -4.699 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.163 -13.888 -5.252 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.398 -11.673 -5.470 1.00 0.00 C ATOM 772 NE1 TRP A 49 2.386 -13.482 -6.311 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.515 -12.129 -6.464 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.700 -10.309 -5.412 1.00 0.00 C ATOM 775 CZ2 TRP A 49 1.931 -11.272 -7.391 1.00 0.00 C ATOM 776 CZ3 TRP A 49 3.119 -9.460 -6.336 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.245 -9.944 -7.313 1.00 0.00 C ATOM 0 H TRP A 49 2.878 -12.785 -1.603 1.00 0.00 H new ATOM 0 HA TRP A 49 4.557 -14.855 -2.890 1.00 0.00 H new ATOM 0 HB2 TRP A 49 4.736 -11.825 -3.079 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.757 -12.977 -3.917 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.258 -14.907 -4.908 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.807 -14.091 -6.889 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.374 -9.926 -4.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.253 -11.643 -8.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.345 -8.404 -6.302 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.809 -9.255 -8.021 1.00 0.00 H new ATOM 788 N SER A 50 6.714 -13.541 -1.646 1.00 0.00 N ATOM 789 CA SER A 50 7.701 -13.128 -0.670 1.00 0.00 C ATOM 790 C SER A 50 7.754 -11.604 -0.652 1.00 0.00 C ATOM 791 O SER A 50 7.390 -10.961 -1.637 1.00 0.00 O ATOM 792 CB SER A 50 9.074 -13.714 -1.017 1.00 0.00 C ATOM 793 OG SER A 50 9.489 -13.299 -2.308 1.00 0.00 O ATOM 0 H SER A 50 7.084 -13.714 -2.581 1.00 0.00 H new ATOM 0 HA SER A 50 7.424 -13.497 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.807 -13.397 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.030 -14.802 -0.977 1.00 0.00 H new ATOM 0 HG SER A 50 10.368 -13.683 -2.508 1.00 0.00 H new ATOM 799 N LYS A 51 8.180 -11.025 0.458 1.00 0.00 N ATOM 800 CA LYS A 51 8.280 -9.573 0.566 1.00 0.00 C ATOM 801 C LYS A 51 9.367 -9.078 -0.371 1.00 0.00 C ATOM 802 O LYS A 51 9.280 -7.984 -0.926 1.00 0.00 O ATOM 803 CB LYS A 51 8.568 -9.140 2.010 1.00 0.00 C ATOM 804 CG LYS A 51 8.397 -7.640 2.237 1.00 0.00 C ATOM 805 CD LYS A 51 8.435 -7.282 3.716 1.00 0.00 C ATOM 806 CE LYS A 51 7.938 -5.861 3.968 1.00 0.00 C ATOM 807 NZ LYS A 51 8.900 -4.821 3.503 1.00 0.00 N ATOM 0 H LYS A 51 8.462 -11.533 1.296 1.00 0.00 H new ATOM 0 HA LYS A 51 7.325 -9.131 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.903 -9.680 2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.587 -9.426 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.186 -7.101 1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.449 -7.314 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.821 -7.987 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.455 -7.382 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.984 -5.719 3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.755 -5.729 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.441 -3.888 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.731 -4.813 4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.200 -5.036 2.531 1.00 0.00 H new ATOM 821 N GLU A 52 10.378 -9.918 -0.555 1.00 0.00 N ATOM 822 CA GLU A 52 11.429 -9.680 -1.532 1.00 0.00 C ATOM 823 C GLU A 52 10.794 -9.468 -2.903 1.00 0.00 C ATOM 824 O GLU A 52 11.014 -8.449 -3.560 1.00 0.00 O ATOM 825 CB GLU A 52 12.370 -10.896 -1.554 1.00 0.00 C ATOM 826 CG GLU A 52 13.704 -10.684 -2.264 1.00 0.00 C ATOM 827 CD GLU A 52 13.584 -10.528 -3.767 1.00 0.00 C ATOM 828 OE1 GLU A 52 12.972 -11.397 -4.421 1.00 0.00 O ATOM 829 OE2 GLU A 52 14.112 -9.532 -4.304 1.00 0.00 O ATOM 0 H GLU A 52 10.491 -10.785 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 52 12.003 -8.791 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.570 -11.197 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.851 -11.726 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.185 -9.796 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.357 -11.529 -2.048 1.00 0.00 H new ATOM 836 N ARG A 53 9.973 -10.433 -3.298 1.00 0.00 N ATOM 837 CA ARG A 53 9.317 -10.417 -4.595 1.00 0.00 C ATOM 838 C ARG A 53 8.299 -9.287 -4.692 1.00 0.00 C ATOM 839 O ARG A 53 8.254 -8.566 -5.689 1.00 0.00 O ATOM 840 CB ARG A 53 8.641 -11.764 -4.841 1.00 0.00 C ATOM 841 CG ARG A 53 7.951 -11.864 -6.191 1.00 0.00 C ATOM 842 CD ARG A 53 7.890 -13.301 -6.678 1.00 0.00 C ATOM 843 NE ARG A 53 9.222 -13.905 -6.738 1.00 0.00 N ATOM 844 CZ ARG A 53 9.868 -14.190 -7.870 1.00 0.00 C ATOM 845 NH1 ARG A 53 9.294 -13.967 -9.048 1.00 0.00 N ATOM 846 NH2 ARG A 53 11.092 -14.697 -7.820 1.00 0.00 N ATOM 0 H ARG A 53 9.745 -11.247 -2.727 1.00 0.00 H new ATOM 0 HA ARG A 53 10.073 -10.243 -5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.388 -12.554 -4.765 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.908 -11.942 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.941 -11.461 -6.116 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.484 -11.254 -6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.254 -13.885 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.431 -13.332 -7.666 1.00 0.00 H new ATOM 0 HE ARG A 53 9.687 -14.122 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.353 -13.575 -9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.794 -14.188 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.537 -14.868 -6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.589 -14.916 -8.683 1.00 0.00 H new ATOM 860 N ALA A 54 7.491 -9.138 -3.651 1.00 0.00 N ATOM 861 CA ALA A 54 6.459 -8.112 -3.621 1.00 0.00 C ATOM 862 C ALA A 54 7.056 -6.723 -3.818 1.00 0.00 C ATOM 863 O ALA A 54 6.556 -5.935 -4.620 1.00 0.00 O ATOM 864 CB ALA A 54 5.682 -8.178 -2.314 1.00 0.00 C ATOM 0 H ALA A 54 7.531 -9.718 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 54 5.772 -8.301 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.914 -7.404 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.212 -9.157 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.363 -8.020 -1.478 1.00 0.00 H new ATOM 870 N GLU A 55 8.139 -6.437 -3.107 1.00 0.00 N ATOM 871 CA GLU A 55 8.792 -5.140 -3.211 1.00 0.00 C ATOM 872 C GLU A 55 9.428 -4.940 -4.581 1.00 0.00 C ATOM 873 O GLU A 55 9.396 -3.838 -5.123 1.00 0.00 O ATOM 874 CB GLU A 55 9.832 -4.967 -2.109 1.00 0.00 C ATOM 875 CG GLU A 55 9.213 -4.646 -0.759 1.00 0.00 C ATOM 876 CD GLU A 55 10.244 -4.300 0.290 1.00 0.00 C ATOM 877 OE1 GLU A 55 10.976 -3.305 0.102 1.00 0.00 O ATOM 878 OE2 GLU A 55 10.327 -5.016 1.307 1.00 0.00 O ATOM 0 H GLU A 55 8.582 -7.084 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 55 8.024 -4.377 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.421 -5.880 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.520 -4.168 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.521 -3.811 -0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.629 -5.501 -0.420 1.00 0.00 H new ATOM 885 N GLN A 56 9.998 -6.001 -5.137 1.00 0.00 N ATOM 886 CA GLN A 56 10.536 -5.950 -6.498 1.00 0.00 C ATOM 887 C GLN A 56 9.445 -5.562 -7.490 1.00 0.00 C ATOM 888 O GLN A 56 9.665 -4.732 -8.374 1.00 0.00 O ATOM 889 CB GLN A 56 11.149 -7.293 -6.899 1.00 0.00 C ATOM 890 CG GLN A 56 12.480 -7.595 -6.230 1.00 0.00 C ATOM 891 CD GLN A 56 13.649 -6.822 -6.821 1.00 0.00 C ATOM 892 OE1 GLN A 56 14.783 -7.302 -6.820 1.00 0.00 O ATOM 893 NE2 GLN A 56 13.398 -5.627 -7.333 1.00 0.00 N ATOM 0 H GLN A 56 10.101 -6.904 -4.674 1.00 0.00 H new ATOM 0 HA GLN A 56 11.320 -5.193 -6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.444 -8.088 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.287 -7.308 -7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.403 -7.365 -5.167 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.684 -8.663 -6.311 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.448 -5.256 -7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.155 -5.078 -7.741 1.00 0.00 H new ATOM 902 N GLU A 57 8.271 -6.155 -7.325 1.00 0.00 N ATOM 903 CA GLU A 57 7.119 -5.831 -8.155 1.00 0.00 C ATOM 904 C GLU A 57 6.706 -4.370 -7.963 1.00 0.00 C ATOM 905 O GLU A 57 6.302 -3.697 -8.913 1.00 0.00 O ATOM 906 CB GLU A 57 5.958 -6.772 -7.822 1.00 0.00 C ATOM 907 CG GLU A 57 5.616 -7.749 -8.938 1.00 0.00 C ATOM 908 CD GLU A 57 6.830 -8.464 -9.495 1.00 0.00 C ATOM 909 OE1 GLU A 57 7.230 -9.501 -8.928 1.00 0.00 O ATOM 910 OE2 GLU A 57 7.374 -8.005 -10.519 1.00 0.00 O ATOM 0 H GLU A 57 8.091 -6.868 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 57 7.391 -5.966 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.207 -7.336 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.075 -6.176 -7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.908 -8.487 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.117 -7.211 -9.744 1.00 0.00 H new ATOM 917 N VAL A 58 6.822 -3.880 -6.730 1.00 0.00 N ATOM 918 CA VAL A 58 6.545 -2.476 -6.438 1.00 0.00 C ATOM 919 C VAL A 58 7.570 -1.575 -7.127 1.00 0.00 C ATOM 920 O VAL A 58 7.222 -0.530 -7.679 1.00 0.00 O ATOM 921 CB VAL A 58 6.547 -2.198 -4.916 1.00 0.00 C ATOM 922 CG1 VAL A 58 6.344 -0.715 -4.632 1.00 0.00 C ATOM 923 CG2 VAL A 58 5.472 -3.017 -4.222 1.00 0.00 C ATOM 0 H VAL A 58 7.105 -4.432 -5.920 1.00 0.00 H new ATOM 0 HA VAL A 58 5.550 -2.254 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 58 7.520 -2.492 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.349 -0.547 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.149 -0.143 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.388 -0.393 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.489 -2.808 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.495 -2.754 -4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.659 -4.078 -4.387 1.00 0.00 H new ATOM 933 N ARG A 59 8.836 -1.996 -7.101 1.00 0.00 N ATOM 934 CA ARG A 59 9.904 -1.261 -7.779 1.00 0.00 C ATOM 935 C ARG A 59 9.587 -1.141 -9.260 1.00 0.00 C ATOM 936 O ARG A 59 9.735 -0.077 -9.851 1.00 0.00 O ATOM 937 CB ARG A 59 11.261 -1.958 -7.615 1.00 0.00 C ATOM 938 CG ARG A 59 11.700 -2.178 -6.178 1.00 0.00 C ATOM 939 CD ARG A 59 11.760 -0.882 -5.387 1.00 0.00 C ATOM 940 NE ARG A 59 12.449 -1.065 -4.113 1.00 0.00 N ATOM 941 CZ ARG A 59 11.905 -0.818 -2.920 1.00 0.00 C ATOM 942 NH1 ARG A 59 10.643 -0.419 -2.825 1.00 0.00 N ATOM 943 NH2 ARG A 59 12.622 -0.974 -1.818 1.00 0.00 N ATOM 0 H ARG A 59 9.146 -2.840 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 59 9.965 -0.273 -7.323 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.220 -2.924 -8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.021 -1.365 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.009 -2.866 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.682 -2.652 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.273 -0.120 -5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.749 -0.518 -5.206 1.00 0.00 H new ATOM 0 HE ARG A 59 13.411 -1.404 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.081 -0.299 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.235 -0.232 -1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.592 -1.283 -1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.204 -0.785 -0.907 1.00 0.00 H new ATOM 957 N ASP A 60 9.136 -2.247 -9.838 1.00 0.00 N ATOM 958 CA ASP A 60 8.777 -2.302 -11.252 1.00 0.00 C ATOM 959 C ASP A 60 7.682 -1.291 -11.584 1.00 0.00 C ATOM 960 O ASP A 60 7.739 -0.611 -12.614 1.00 0.00 O ATOM 961 CB ASP A 60 8.309 -3.714 -11.615 1.00 0.00 C ATOM 962 CG ASP A 60 7.826 -3.815 -13.047 1.00 0.00 C ATOM 963 OD1 ASP A 60 8.654 -4.082 -13.944 1.00 0.00 O ATOM 964 OD2 ASP A 60 6.610 -3.631 -13.286 1.00 0.00 O ATOM 0 H ASP A 60 9.009 -3.130 -9.343 1.00 0.00 H new ATOM 0 HA ASP A 60 9.661 -2.049 -11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.129 -4.416 -11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.505 -4.011 -10.942 1.00 0.00 H new ATOM 969 N PHE A 61 6.693 -1.194 -10.705 1.00 0.00 N ATOM 970 CA PHE A 61 5.589 -0.268 -10.896 1.00 0.00 C ATOM 971 C PHE A 61 6.079 1.179 -10.858 1.00 0.00 C ATOM 972 O PHE A 61 5.791 1.958 -11.766 1.00 0.00 O ATOM 973 CB PHE A 61 4.512 -0.496 -9.832 1.00 0.00 C ATOM 974 CG PHE A 61 3.293 0.363 -10.013 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.512 0.249 -11.153 1.00 0.00 C ATOM 976 CD2 PHE A 61 2.932 1.289 -9.050 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.393 1.040 -11.325 1.00 0.00 C ATOM 978 CE2 PHE A 61 1.813 2.083 -9.215 1.00 0.00 C ATOM 979 CZ PHE A 61 1.045 1.960 -10.356 1.00 0.00 C ATOM 0 H PHE A 61 6.635 -1.748 -9.851 1.00 0.00 H new ATOM 0 HA PHE A 61 5.154 -0.454 -11.878 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.213 -1.544 -9.849 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.939 -0.303 -8.848 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.782 -0.467 -11.915 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.532 1.392 -8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.791 0.939 -12.216 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.540 2.798 -8.453 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.173 2.583 -10.490 1.00 0.00 H new ATOM 989 N SER A 62 6.832 1.525 -9.816 1.00 0.00 N ATOM 990 CA SER A 62 7.387 2.870 -9.680 1.00 0.00 C ATOM 991 C SER A 62 8.348 3.179 -10.827 1.00 0.00 C ATOM 992 O SER A 62 8.478 4.328 -11.253 1.00 0.00 O ATOM 993 CB SER A 62 8.121 3.002 -8.343 1.00 0.00 C ATOM 994 OG SER A 62 7.271 2.670 -7.257 1.00 0.00 O ATOM 0 H SER A 62 7.072 0.892 -9.053 1.00 0.00 H new ATOM 0 HA SER A 62 6.564 3.584 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.994 2.349 -8.338 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.486 4.022 -8.224 1.00 0.00 H new ATOM 0 HG SER A 62 7.151 1.698 -7.221 1.00 0.00 H new ATOM 1000 N ASP A 63 9.015 2.142 -11.325 1.00 0.00 N ATOM 1001 CA ASP A 63 10.000 2.294 -12.393 1.00 0.00 C ATOM 1002 C ASP A 63 9.340 2.776 -13.681 1.00 0.00 C ATOM 1003 O ASP A 63 9.848 3.675 -14.348 1.00 0.00 O ATOM 1004 CB ASP A 63 10.729 0.971 -12.645 1.00 0.00 C ATOM 1005 CG ASP A 63 11.883 1.119 -13.616 1.00 0.00 C ATOM 1006 OD1 ASP A 63 11.650 1.062 -14.841 1.00 0.00 O ATOM 1007 OD2 ASP A 63 13.032 1.296 -13.158 1.00 0.00 O ATOM 0 H ASP A 63 8.891 1.182 -11.004 1.00 0.00 H new ATOM 0 HA ASP A 63 10.725 3.043 -12.074 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.103 0.580 -11.699 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.022 0.239 -13.035 1.00 0.00 H new ATOM 1012 N ARG A 64 8.189 2.197 -14.014 1.00 0.00 N ATOM 1013 CA ARG A 64 7.479 2.570 -15.235 1.00 0.00 C ATOM 1014 C ARG A 64 6.575 3.782 -15.023 1.00 0.00 C ATOM 1015 O ARG A 64 5.674 4.038 -15.821 1.00 0.00 O ATOM 1016 CB ARG A 64 6.654 1.400 -15.779 1.00 0.00 C ATOM 1017 CG ARG A 64 7.358 0.622 -16.880 1.00 0.00 C ATOM 1018 CD ARG A 64 8.343 -0.395 -16.329 1.00 0.00 C ATOM 1019 NE ARG A 64 7.658 -1.556 -15.763 1.00 0.00 N ATOM 1020 CZ ARG A 64 7.192 -2.573 -16.492 1.00 0.00 C ATOM 1021 NH1 ARG A 64 7.388 -2.605 -17.804 1.00 0.00 N ATOM 1022 NH2 ARG A 64 6.561 -3.573 -15.901 1.00 0.00 N ATOM 0 H ARG A 64 7.731 1.473 -13.460 1.00 0.00 H new ATOM 0 HA ARG A 64 8.241 2.837 -15.967 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.417 0.721 -14.960 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.707 1.780 -16.162 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.615 0.110 -17.492 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.885 1.318 -17.533 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.014 -0.720 -17.124 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.960 0.074 -15.562 1.00 0.00 H new ATOM 0 HE ARG A 64 7.528 -1.591 -14.752 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.898 -1.849 -18.262 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.029 -3.385 -18.354 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.431 -3.567 -14.889 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.204 -4.351 -16.457 1.00 0.00 H new ATOM 1036 N LEU A 65 6.813 4.524 -13.955 1.00 0.00 N ATOM 1037 CA LEU A 65 6.083 5.758 -13.721 1.00 0.00 C ATOM 1038 C LEU A 65 6.897 6.944 -14.224 1.00 0.00 C ATOM 1039 O LEU A 65 6.602 7.438 -15.334 1.00 0.00 O ATOM 1040 CB LEU A 65 5.747 5.931 -12.236 1.00 0.00 C ATOM 1041 CG LEU A 65 4.780 4.894 -11.663 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.487 5.185 -10.200 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.490 4.861 -12.469 1.00 0.00 C ATOM 1044 OXT LEU A 65 7.846 7.358 -13.526 1.00 0.00 O ATOM 0 H LEU A 65 7.503 4.295 -13.239 1.00 0.00 H new ATOM 0 HA LEU A 65 5.143 5.710 -14.271 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.674 5.896 -11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.320 6.923 -12.090 1.00 0.00 H new ATOM 0 HG LEU A 65 5.252 3.914 -11.730 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.797 4.436 -9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.415 5.154 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.038 6.174 -10.109 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.815 4.117 -12.045 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.015 5.842 -12.436 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.714 4.601 -13.503 1.00 0.00 H new TER 1056 LEU A 65