USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 70 HIS : no HD1:sc= -5.28! C(o=-5.4!,f=-8.7!) USER MOD Set 1.2: A 73 MET CE :methyl -119:sc= -0.0751 (180deg=-0.518) USER MOD Set 2.1: A 18 GLN : amide:sc= 0.288 X(o=0.29,f=0.086) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0362 (180deg=-0.211) USER MOD Single : A 2 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.03) USER MOD Single : A 3 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0.024) USER MOD Single : A 5 TYR OH : rot 180:sc= -5.36! USER MOD Single : A 11 THR OG1 : rot 44:sc= -1.14 USER MOD Single : A 23 ASN : amide:sc= -1.07! C(o=-1.1!,f=-1.9!) USER MOD Single : A 26 TYR OH : rot -167:sc= 0.981 USER MOD Single : A 32 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.011) USER MOD Single : A 34 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0.756) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 100:sc= -1.39 USER MOD Single : A 38 GLN : amide:sc= -0.798! C(o=-0.8!,f=-2.1!) USER MOD Single : A 41 TYR OH : rot 10:sc= -0.398 USER MOD Single : A 47 HIS : no HD1:sc= -2.13 X(o=-2.1,f=-1.7) USER MOD Single : A 49 ASN : amide:sc= -1.73 K(o=-1.7,f=-5.2!) USER MOD Single : A 54 THR OG1 : rot -48:sc= 0.756 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.203 USER MOD Single : A 66 ASN : amide:sc= -0.764 K(o=-0.76,f=-0.019) USER MOD Single : A 69 HIS : no HD1:sc= -0.639 X(o=-0.64,f=-0.62) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000441) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.474 -8.618 -13.388 1.00 0.00 N ATOM 2 CA MET A 1 -4.033 -8.711 -13.036 1.00 0.00 C ATOM 3 C MET A 1 -3.580 -7.499 -12.229 1.00 0.00 C ATOM 4 O MET A 1 -2.417 -7.099 -12.288 1.00 0.00 O ATOM 5 CB MET A 1 -3.220 -8.816 -14.329 1.00 0.00 C ATOM 6 CG MET A 1 -1.917 -9.585 -14.168 1.00 0.00 C ATOM 7 SD MET A 1 -1.293 -10.227 -15.734 1.00 0.00 S ATOM 8 CE MET A 1 -0.716 -8.720 -16.511 1.00 0.00 C ATOM 0 H1 MET A 1 -5.705 -9.341 -14.099 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.050 -8.773 -12.536 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.677 -7.674 -13.775 1.00 0.00 H new ATOM 0 HA MET A 1 -3.875 -9.594 -12.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.828 -9.303 -15.092 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.998 -7.812 -14.691 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.167 -8.932 -13.722 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.071 -10.413 -13.476 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.300 -8.952 -17.492 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.550 -8.027 -16.625 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.054 -8.262 -15.890 1.00 0.00 H new ATOM 20 N GLN A 2 -4.508 -6.916 -11.474 1.00 0.00 N ATOM 21 CA GLN A 2 -4.204 -5.748 -10.656 1.00 0.00 C ATOM 22 C GLN A 2 -3.699 -4.594 -11.515 1.00 0.00 C ATOM 23 O GLN A 2 -3.296 -4.792 -12.661 1.00 0.00 O ATOM 24 CB GLN A 2 -3.163 -6.101 -9.593 1.00 0.00 C ATOM 25 CG GLN A 2 -3.678 -7.063 -8.533 1.00 0.00 C ATOM 26 CD GLN A 2 -2.980 -8.408 -8.575 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.628 -9.454 -8.617 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.652 -8.389 -8.566 1.00 0.00 N ATOM 0 H GLN A 2 -5.475 -7.234 -11.413 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.124 -5.433 -10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.293 -6.542 -10.080 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.826 -5.185 -9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.542 -6.618 -7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.749 -7.210 -8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.155 -7.499 -8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.129 -9.264 -8.595 1.00 0.00 H new ATOM 37 N HIS A 3 -3.722 -3.390 -10.953 1.00 0.00 N ATOM 38 CA HIS A 3 -3.265 -2.203 -11.669 1.00 0.00 C ATOM 39 C HIS A 3 -2.093 -1.547 -10.939 1.00 0.00 C ATOM 40 O HIS A 3 -2.289 -0.828 -9.962 1.00 0.00 O ATOM 41 CB HIS A 3 -4.412 -1.200 -11.820 1.00 0.00 C ATOM 42 CG HIS A 3 -5.713 -1.829 -12.210 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.933 -2.404 -13.445 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.870 -1.974 -11.520 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.167 -2.874 -13.497 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.755 -2.627 -12.341 1.00 0.00 N ATOM 0 H HIS A 3 -4.052 -3.210 -10.005 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.929 -2.511 -12.659 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.544 -0.668 -10.878 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.138 -0.458 -12.570 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.060 -1.638 -10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.618 -3.375 -14.341 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.712 -2.881 -12.097 1.00 0.00 H new ATOM 55 N PRO A 4 -0.854 -1.793 -11.404 1.00 0.00 N ATOM 56 CA PRO A 4 0.354 -1.224 -10.788 1.00 0.00 C ATOM 57 C PRO A 4 0.295 0.294 -10.660 1.00 0.00 C ATOM 58 O PRO A 4 -0.516 0.950 -11.314 1.00 0.00 O ATOM 59 CB PRO A 4 1.467 -1.623 -11.763 1.00 0.00 C ATOM 60 CG PRO A 4 0.955 -2.843 -12.441 1.00 0.00 C ATOM 61 CD PRO A 4 -0.530 -2.648 -12.562 1.00 0.00 C ATOM 0 HA PRO A 4 0.494 -1.589 -9.771 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.670 -0.827 -12.480 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.401 -1.824 -11.238 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.415 -2.968 -13.421 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.187 -3.738 -11.864 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.798 -2.169 -13.504 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.065 -3.597 -12.524 1.00 0.00 H new ATOM 69 N TYR A 5 1.171 0.849 -9.826 1.00 0.00 N ATOM 70 CA TYR A 5 1.229 2.294 -9.628 1.00 0.00 C ATOM 71 C TYR A 5 2.655 2.747 -9.385 1.00 0.00 C ATOM 72 O TYR A 5 3.096 3.753 -9.942 1.00 0.00 O ATOM 73 CB TYR A 5 0.341 2.738 -8.466 1.00 0.00 C ATOM 74 CG TYR A 5 -1.063 3.079 -8.903 1.00 0.00 C ATOM 75 CD1 TYR A 5 -1.956 2.079 -9.249 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.483 4.398 -8.990 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.235 2.383 -9.674 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.763 4.712 -9.408 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.634 3.701 -9.750 1.00 0.00 C ATOM 80 OH TYR A 5 -4.906 4.008 -10.174 1.00 0.00 O ATOM 0 H TYR A 5 1.849 0.320 -9.277 1.00 0.00 H new ATOM 0 HA TYR A 5 0.857 2.760 -10.541 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.302 1.944 -7.720 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.788 3.607 -7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.648 1.046 -9.186 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.800 5.192 -8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.919 1.592 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.078 5.743 -9.466 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.027 4.981 -10.169 1.00 0.00 H new ATOM 90 N VAL A 6 3.383 2.003 -8.559 1.00 0.00 N ATOM 91 CA VAL A 6 4.764 2.349 -8.264 1.00 0.00 C ATOM 92 C VAL A 6 4.863 3.724 -7.611 1.00 0.00 C ATOM 93 O VAL A 6 4.312 4.704 -8.112 1.00 0.00 O ATOM 94 CB VAL A 6 5.607 2.341 -9.546 1.00 0.00 C ATOM 95 CG1 VAL A 6 7.086 2.486 -9.222 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.344 1.075 -10.342 1.00 0.00 C ATOM 0 H VAL A 6 3.042 1.165 -8.087 1.00 0.00 H new ATOM 0 HA VAL A 6 5.146 1.600 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 6 5.316 3.195 -10.157 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.664 2.478 -10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.253 3.427 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.403 1.657 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.949 1.083 -11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.605 0.205 -9.739 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.289 1.027 -10.610 1.00 0.00 H new ATOM 106 N GLY A 7 5.566 3.792 -6.489 1.00 0.00 N ATOM 107 CA GLY A 7 5.719 5.052 -5.785 1.00 0.00 C ATOM 108 C GLY A 7 6.025 4.858 -4.316 1.00 0.00 C ATOM 109 O GLY A 7 5.528 3.918 -3.698 1.00 0.00 O ATOM 0 H GLY A 7 6.034 2.998 -6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.520 5.628 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.805 5.637 -5.889 1.00 0.00 H new ATOM 113 N ILE A 8 6.834 5.745 -3.744 1.00 0.00 N ATOM 114 CA ILE A 8 7.172 5.646 -2.331 1.00 0.00 C ATOM 115 C ILE A 8 6.197 6.465 -1.501 1.00 0.00 C ATOM 116 O ILE A 8 6.344 7.675 -1.352 1.00 0.00 O ATOM 117 CB ILE A 8 8.621 6.091 -2.056 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.581 5.117 -2.754 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.889 6.167 -0.554 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.642 4.514 -1.854 1.00 0.00 C ATOM 0 H ILE A 8 7.263 6.531 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 8 7.094 4.598 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 8 8.781 7.092 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.998 4.309 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.074 5.640 -3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.918 6.483 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.208 6.886 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.732 5.186 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.272 3.840 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.255 5.310 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.163 3.958 -1.048 1.00 0.00 H new ATOM 132 N TRP A 9 5.197 5.781 -0.973 1.00 0.00 N ATOM 133 CA TRP A 9 4.171 6.417 -0.163 1.00 0.00 C ATOM 134 C TRP A 9 4.595 6.453 1.298 1.00 0.00 C ATOM 135 O TRP A 9 4.640 5.424 1.971 1.00 0.00 O ATOM 136 CB TRP A 9 2.837 5.681 -0.340 1.00 0.00 C ATOM 137 CG TRP A 9 2.452 5.515 -1.786 1.00 0.00 C ATOM 138 CD1 TRP A 9 3.041 4.689 -2.703 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.402 6.197 -2.485 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.430 4.818 -3.927 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.417 5.736 -3.817 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.451 7.151 -2.113 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.517 6.199 -4.774 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.441 7.608 -3.065 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.403 7.131 -4.381 1.00 0.00 C ATOM 0 H TRP A 9 5.073 4.776 -1.092 1.00 0.00 H new ATOM 0 HA TRP A 9 4.039 7.447 -0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.903 4.699 0.129 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.052 6.230 0.180 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.870 4.028 -2.495 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.687 4.315 -4.776 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.414 7.524 -1.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.545 5.835 -5.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.180 8.346 -2.789 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.115 7.507 -5.101 1.00 0.00 H new ATOM 156 N VAL A 10 4.929 7.648 1.771 1.00 0.00 N ATOM 157 CA VAL A 10 5.383 7.831 3.146 1.00 0.00 C ATOM 158 C VAL A 10 4.392 8.654 3.962 1.00 0.00 C ATOM 159 O VAL A 10 3.623 9.445 3.420 1.00 0.00 O ATOM 160 CB VAL A 10 6.770 8.510 3.184 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.182 8.853 4.609 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.815 7.620 2.526 1.00 0.00 C ATOM 0 H VAL A 10 4.894 8.507 1.222 1.00 0.00 H new ATOM 0 HA VAL A 10 5.456 6.838 3.590 1.00 0.00 H new ATOM 0 HB VAL A 10 6.701 9.443 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.162 9.329 4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.452 9.535 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.227 7.941 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.787 8.113 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.871 6.670 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.537 7.439 1.488 1.00 0.00 H new ATOM 172 N THR A 11 4.425 8.455 5.275 1.00 0.00 N ATOM 173 CA THR A 11 3.539 9.167 6.189 1.00 0.00 C ATOM 174 C THR A 11 3.848 10.664 6.209 1.00 0.00 C ATOM 175 O THR A 11 4.701 11.142 5.459 1.00 0.00 O ATOM 176 CB THR A 11 3.662 8.584 7.595 1.00 0.00 C ATOM 177 OG1 THR A 11 4.957 8.040 7.800 1.00 0.00 O ATOM 178 CG2 THR A 11 2.654 7.492 7.875 1.00 0.00 C ATOM 0 H THR A 11 5.061 7.802 5.733 1.00 0.00 H new ATOM 0 HA THR A 11 2.515 9.041 5.836 1.00 0.00 H new ATOM 0 HB THR A 11 3.472 9.415 8.274 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.631 8.657 7.446 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.794 7.119 8.890 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.646 7.892 7.771 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.795 6.676 7.166 1.00 0.00 H new ATOM 186 N ALA A 12 3.145 11.398 7.070 1.00 0.00 N ATOM 187 CA ALA A 12 3.338 12.841 7.186 1.00 0.00 C ATOM 188 C ALA A 12 4.512 13.179 8.103 1.00 0.00 C ATOM 189 O ALA A 12 5.059 14.281 8.039 1.00 0.00 O ATOM 190 CB ALA A 12 2.064 13.508 7.691 1.00 0.00 C ATOM 0 H ALA A 12 2.437 11.016 7.697 1.00 0.00 H new ATOM 0 HA ALA A 12 3.571 13.225 6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.224 14.583 7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.250 13.314 6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.806 13.105 8.670 1.00 0.00 H new ATOM 196 N ASP A 13 4.895 12.234 8.956 1.00 0.00 N ATOM 197 CA ASP A 13 6.001 12.449 9.880 1.00 0.00 C ATOM 198 C ASP A 13 7.250 11.706 9.419 1.00 0.00 C ATOM 199 O ASP A 13 8.369 12.079 9.769 1.00 0.00 O ATOM 200 CB ASP A 13 5.613 11.992 11.287 1.00 0.00 C ATOM 201 CG ASP A 13 5.007 13.111 12.112 1.00 0.00 C ATOM 202 OD1 ASP A 13 3.882 13.546 11.787 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.658 13.552 13.082 1.00 0.00 O ATOM 0 H ASP A 13 4.457 11.315 9.026 1.00 0.00 H new ATOM 0 HA ASP A 13 6.222 13.516 9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.901 11.170 11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.495 11.605 11.797 1.00 0.00 H new ATOM 208 N GLY A 14 7.051 10.649 8.638 1.00 0.00 N ATOM 209 CA GLY A 14 8.172 9.871 8.151 1.00 0.00 C ATOM 210 C GLY A 14 8.504 8.715 9.072 1.00 0.00 C ATOM 211 O GLY A 14 9.631 8.221 9.078 1.00 0.00 O ATOM 0 H GLY A 14 6.135 10.319 8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.943 9.488 7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.045 10.516 8.050 1.00 0.00 H new ATOM 215 N ARG A 15 7.515 8.279 9.849 1.00 0.00 N ATOM 216 CA ARG A 15 7.715 7.164 10.772 1.00 0.00 C ATOM 217 C ARG A 15 7.754 5.852 10.001 1.00 0.00 C ATOM 218 O ARG A 15 8.439 4.908 10.395 1.00 0.00 O ATOM 219 CB ARG A 15 6.626 7.103 11.861 1.00 0.00 C ATOM 220 CG ARG A 15 5.485 8.097 11.688 1.00 0.00 C ATOM 221 CD ARG A 15 4.563 7.693 10.549 1.00 0.00 C ATOM 222 NE ARG A 15 3.309 7.123 11.035 1.00 0.00 N ATOM 223 CZ ARG A 15 2.288 7.847 11.487 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.370 9.172 11.517 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.185 7.247 11.910 1.00 0.00 N ATOM 0 H ARG A 15 6.576 8.676 9.859 1.00 0.00 H new ATOM 0 HA ARG A 15 8.668 7.325 11.275 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.210 6.096 11.881 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.093 7.275 12.831 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.914 8.162 12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.892 9.089 11.494 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.349 8.564 9.930 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.069 6.966 9.913 1.00 0.00 H new ATOM 0 HE ARG A 15 3.210 6.108 11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.217 9.638 11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.585 9.724 11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.118 6.229 11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.403 7.803 12.256 1.00 0.00 H new ATOM 239 N ILE A 16 7.026 5.804 8.889 1.00 0.00 N ATOM 240 CA ILE A 16 6.995 4.610 8.055 1.00 0.00 C ATOM 241 C ILE A 16 7.025 4.987 6.578 1.00 0.00 C ATOM 242 O ILE A 16 6.638 6.092 6.204 1.00 0.00 O ATOM 243 CB ILE A 16 5.765 3.709 8.361 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.628 3.915 7.347 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.259 3.955 9.771 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.585 2.843 6.277 1.00 0.00 C ATOM 0 H ILE A 16 6.453 6.575 8.547 1.00 0.00 H new ATOM 0 HA ILE A 16 7.887 4.030 8.292 1.00 0.00 H new ATOM 0 HB ILE A 16 6.098 2.675 8.275 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.675 3.930 7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.744 4.889 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.398 3.315 9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.049 3.727 10.486 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.965 5.000 9.875 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.761 3.045 5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.524 2.843 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.439 1.869 6.744 1.00 0.00 H new ATOM 258 N ARG A 17 7.490 4.066 5.750 1.00 0.00 N ATOM 259 CA ARG A 17 7.575 4.307 4.319 1.00 0.00 C ATOM 260 C ARG A 17 7.120 3.076 3.540 1.00 0.00 C ATOM 261 O ARG A 17 7.593 1.967 3.785 1.00 0.00 O ATOM 262 CB ARG A 17 9.013 4.702 3.946 1.00 0.00 C ATOM 263 CG ARG A 17 9.589 3.967 2.744 1.00 0.00 C ATOM 264 CD ARG A 17 11.076 4.234 2.594 1.00 0.00 C ATOM 265 NE ARG A 17 11.880 3.358 3.443 1.00 0.00 N ATOM 266 CZ ARG A 17 12.267 3.666 4.681 1.00 0.00 C ATOM 267 NH1 ARG A 17 11.924 4.827 5.225 1.00 0.00 N ATOM 268 NH2 ARG A 17 12.997 2.807 5.377 1.00 0.00 N ATOM 0 H ARG A 17 7.814 3.145 6.044 1.00 0.00 H new ATOM 0 HA ARG A 17 6.910 5.129 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.039 5.773 3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.658 4.523 4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.419 2.896 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.068 4.281 1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.366 4.094 1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.284 5.274 2.846 1.00 0.00 H new ATOM 0 HE ARG A 17 12.163 2.454 3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.360 5.492 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.224 5.055 6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.262 1.912 4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.294 3.041 6.324 1.00 0.00 H new ATOM 282 N GLN A 18 6.202 3.281 2.603 1.00 0.00 N ATOM 283 CA GLN A 18 5.685 2.189 1.789 1.00 0.00 C ATOM 284 C GLN A 18 6.042 2.395 0.322 1.00 0.00 C ATOM 285 O GLN A 18 5.549 3.319 -0.322 1.00 0.00 O ATOM 286 CB GLN A 18 4.171 2.075 1.962 1.00 0.00 C ATOM 287 CG GLN A 18 3.607 0.738 1.517 1.00 0.00 C ATOM 288 CD GLN A 18 2.158 0.553 1.921 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.815 0.634 3.101 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.297 0.302 0.941 1.00 0.00 N ATOM 0 H GLN A 18 5.801 4.194 2.388 1.00 0.00 H new ATOM 0 HA GLN A 18 6.146 1.259 2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.921 2.234 3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.688 2.871 1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.692 0.655 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.205 -0.066 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.625 0.243 -0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.308 0.168 1.153 1.00 0.00 H new ATOM 299 N GLU A 19 6.911 1.531 -0.198 1.00 0.00 N ATOM 300 CA GLU A 19 7.336 1.632 -1.587 1.00 0.00 C ATOM 301 C GLU A 19 6.477 0.776 -2.494 1.00 0.00 C ATOM 302 O GLU A 19 6.340 -0.429 -2.284 1.00 0.00 O ATOM 303 CB GLU A 19 8.798 1.210 -1.740 1.00 0.00 C ATOM 304 CG GLU A 19 9.300 1.254 -3.175 1.00 0.00 C ATOM 305 CD GLU A 19 10.783 0.953 -3.282 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.255 0.042 -2.572 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.470 1.628 -4.077 1.00 0.00 O ATOM 0 H GLU A 19 7.331 0.759 0.320 1.00 0.00 H new ATOM 0 HA GLU A 19 7.225 2.676 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.421 1.861 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.917 0.198 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.742 0.534 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.101 2.240 -3.596 1.00 0.00 H new ATOM 314 N LEU A 20 5.941 1.396 -3.528 1.00 0.00 N ATOM 315 CA LEU A 20 5.141 0.676 -4.496 1.00 0.00 C ATOM 316 C LEU A 20 6.065 0.211 -5.611 1.00 0.00 C ATOM 317 O LEU A 20 6.675 1.015 -6.316 1.00 0.00 O ATOM 318 CB LEU A 20 3.985 1.541 -5.014 1.00 0.00 C ATOM 319 CG LEU A 20 2.836 1.741 -4.019 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.574 2.190 -4.731 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.568 0.474 -3.222 1.00 0.00 C ATOM 0 H LEU A 20 6.045 2.393 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 20 4.673 -0.193 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.378 2.518 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.587 1.085 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 20 3.139 2.523 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.774 2.325 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.761 3.134 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.279 1.435 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.748 0.649 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.300 -0.334 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.464 0.198 -2.666 1.00 0.00 H new ATOM 333 N LEU A 21 6.221 -1.097 -5.695 1.00 0.00 N ATOM 334 CA LEU A 21 7.130 -1.715 -6.645 1.00 0.00 C ATOM 335 C LEU A 21 6.702 -1.565 -8.095 1.00 0.00 C ATOM 336 O LEU A 21 5.526 -1.370 -8.400 1.00 0.00 O ATOM 337 CB LEU A 21 7.279 -3.193 -6.296 1.00 0.00 C ATOM 338 CG LEU A 21 8.550 -3.564 -5.515 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.213 -2.332 -4.901 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.217 -4.571 -4.430 1.00 0.00 C ATOM 0 H LEU A 21 5.721 -1.763 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 21 8.083 -1.192 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.412 -3.499 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.260 -3.770 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 21 9.256 -4.007 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.108 -2.634 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.487 -1.634 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.517 -1.848 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.123 -4.828 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.488 -4.139 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.800 -5.470 -4.884 1.00 0.00 H new ATOM 352 N PRO A 22 7.684 -1.679 -9.016 1.00 0.00 N ATOM 353 CA PRO A 22 7.453 -1.579 -10.459 1.00 0.00 C ATOM 354 C PRO A 22 6.576 -2.714 -10.973 1.00 0.00 C ATOM 355 O PRO A 22 6.068 -2.665 -12.093 1.00 0.00 O ATOM 356 CB PRO A 22 8.862 -1.667 -11.067 1.00 0.00 C ATOM 357 CG PRO A 22 9.795 -1.408 -9.932 1.00 0.00 C ATOM 358 CD PRO A 22 9.104 -1.939 -8.714 1.00 0.00 C ATOM 0 HA PRO A 22 6.927 -0.662 -10.725 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.040 -2.648 -11.507 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.995 -0.932 -11.861 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.751 -1.907 -10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.004 -0.343 -9.831 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.300 -3.001 -8.566 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.427 -1.426 -7.808 1.00 0.00 H new ATOM 366 N ASN A 23 6.393 -3.732 -10.136 1.00 0.00 N ATOM 367 CA ASN A 23 5.567 -4.877 -10.487 1.00 0.00 C ATOM 368 C ASN A 23 4.142 -4.674 -9.978 1.00 0.00 C ATOM 369 O ASN A 23 3.389 -5.634 -9.805 1.00 0.00 O ATOM 370 CB ASN A 23 6.163 -6.150 -9.877 1.00 0.00 C ATOM 371 CG ASN A 23 5.324 -7.390 -10.159 1.00 0.00 C ATOM 372 OD1 ASN A 23 4.643 -7.462 -11.182 1.00 0.00 O ATOM 373 ND2 ASN A 23 5.362 -8.378 -9.261 1.00 0.00 N ATOM 0 H ASN A 23 6.809 -3.784 -9.206 1.00 0.00 H new ATOM 0 HA ASN A 23 5.541 -4.977 -11.572 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.168 -6.300 -10.271 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.260 -6.020 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.816 -9.226 -9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.938 -8.285 -8.424 1.00 0.00 H new ATOM 380 N GLY A 24 3.780 -3.421 -9.713 1.00 0.00 N ATOM 381 CA GLY A 24 2.457 -3.136 -9.199 1.00 0.00 C ATOM 382 C GLY A 24 2.266 -3.772 -7.845 1.00 0.00 C ATOM 383 O GLY A 24 1.291 -4.484 -7.610 1.00 0.00 O ATOM 0 H GLY A 24 4.377 -2.605 -9.845 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.314 -2.058 -9.124 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.703 -3.510 -9.892 1.00 0.00 H new ATOM 387 N ARG A 25 3.224 -3.530 -6.960 1.00 0.00 N ATOM 388 CA ARG A 25 3.186 -4.100 -5.620 1.00 0.00 C ATOM 389 C ARG A 25 3.649 -3.090 -4.587 1.00 0.00 C ATOM 390 O ARG A 25 3.960 -1.951 -4.924 1.00 0.00 O ATOM 391 CB ARG A 25 4.047 -5.359 -5.570 1.00 0.00 C ATOM 392 CG ARG A 25 3.682 -6.356 -6.650 1.00 0.00 C ATOM 393 CD ARG A 25 2.245 -6.834 -6.499 1.00 0.00 C ATOM 394 NE ARG A 25 2.174 -8.252 -6.154 1.00 0.00 N ATOM 395 CZ ARG A 25 2.302 -9.238 -7.039 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.507 -8.966 -8.321 1.00 0.00 N ATOM 397 NH2 ARG A 25 2.225 -10.500 -6.639 1.00 0.00 N ATOM 0 H ARG A 25 4.037 -2.943 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 25 2.156 -4.367 -5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.096 -5.082 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.939 -5.831 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.814 -5.898 -7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.358 -7.210 -6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.747 -6.248 -5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.705 -6.660 -7.430 1.00 0.00 H new ATOM 0 HE ARG A 25 2.017 -8.501 -5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.567 -7.997 -8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.604 -9.726 -8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.068 -10.714 -5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.323 -11.256 -7.316 1.00 0.00 H new ATOM 411 N TYR A 26 3.660 -3.496 -3.322 1.00 0.00 N ATOM 412 CA TYR A 26 4.052 -2.589 -2.253 1.00 0.00 C ATOM 413 C TYR A 26 5.003 -3.234 -1.249 1.00 0.00 C ATOM 414 O TYR A 26 4.950 -4.437 -0.995 1.00 0.00 O ATOM 415 CB TYR A 26 2.795 -2.058 -1.557 1.00 0.00 C ATOM 416 CG TYR A 26 2.378 -2.819 -0.324 1.00 0.00 C ATOM 417 CD1 TYR A 26 3.123 -2.747 0.841 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.234 -3.599 -0.329 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.741 -3.437 1.974 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.841 -4.294 0.796 1.00 0.00 C ATOM 421 CZ TYR A 26 1.598 -4.210 1.947 1.00 0.00 C ATOM 422 OH TYR A 26 1.210 -4.899 3.074 1.00 0.00 O ATOM 0 H TYR A 26 3.405 -4.435 -3.016 1.00 0.00 H new ATOM 0 HA TYR A 26 4.604 -1.762 -2.700 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.963 -1.016 -1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.970 -2.071 -2.270 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.017 -2.141 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.640 -3.664 -1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.333 -3.372 2.875 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.053 -4.900 0.776 1.00 0.00 H new ATOM 0 HH TYR A 26 0.516 -5.549 2.837 1.00 0.00 H new ATOM 432 N ASP A 27 5.859 -2.397 -0.674 1.00 0.00 N ATOM 433 CA ASP A 27 6.832 -2.820 0.325 1.00 0.00 C ATOM 434 C ASP A 27 7.025 -1.702 1.344 1.00 0.00 C ATOM 435 O ASP A 27 7.570 -0.649 1.018 1.00 0.00 O ATOM 436 CB ASP A 27 8.169 -3.150 -0.341 1.00 0.00 C ATOM 437 CG ASP A 27 8.481 -4.634 -0.312 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.922 -5.374 -1.147 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.285 -5.055 0.547 1.00 0.00 O ATOM 0 H ASP A 27 5.897 -1.401 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 27 6.463 -3.715 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.151 -2.806 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.967 -2.604 0.163 1.00 0.00 H new ATOM 444 N GLU A 28 6.555 -1.915 2.568 1.00 0.00 N ATOM 445 CA GLU A 28 6.667 -0.889 3.596 1.00 0.00 C ATOM 446 C GLU A 28 7.775 -1.193 4.598 1.00 0.00 C ATOM 447 O GLU A 28 7.886 -2.305 5.114 1.00 0.00 O ATOM 448 CB GLU A 28 5.311 -0.701 4.298 1.00 0.00 C ATOM 449 CG GLU A 28 5.396 -0.371 5.782 1.00 0.00 C ATOM 450 CD GLU A 28 4.069 -0.547 6.493 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.132 0.227 6.202 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.964 -1.459 7.340 1.00 0.00 O ATOM 0 H GLU A 28 6.099 -2.776 2.869 1.00 0.00 H new ATOM 0 HA GLU A 28 6.944 0.046 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.765 0.097 3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.726 -1.613 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.143 -1.011 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.736 0.658 5.903 1.00 0.00 H new ATOM 459 N ALA A 29 8.582 -0.171 4.873 1.00 0.00 N ATOM 460 CA ALA A 29 9.678 -0.280 5.821 1.00 0.00 C ATOM 461 C ALA A 29 9.456 0.681 6.984 1.00 0.00 C ATOM 462 O ALA A 29 9.619 1.893 6.840 1.00 0.00 O ATOM 463 CB ALA A 29 11.002 0.018 5.131 1.00 0.00 C ATOM 0 H ALA A 29 8.492 0.750 4.445 1.00 0.00 H new ATOM 0 HA ALA A 29 9.712 -1.298 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.815 -0.067 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.159 -0.695 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.981 1.029 4.725 1.00 0.00 H new ATOM 469 N ARG A 30 9.070 0.135 8.131 1.00 0.00 N ATOM 470 CA ARG A 30 8.807 0.949 9.311 1.00 0.00 C ATOM 471 C ARG A 30 9.973 0.893 10.294 1.00 0.00 C ATOM 472 O ARG A 30 10.207 -0.130 10.940 1.00 0.00 O ATOM 473 CB ARG A 30 7.519 0.486 9.992 1.00 0.00 C ATOM 474 CG ARG A 30 6.398 0.176 9.011 1.00 0.00 C ATOM 475 CD ARG A 30 5.033 0.485 9.603 1.00 0.00 C ATOM 476 NE ARG A 30 4.903 -0.003 10.974 1.00 0.00 N ATOM 477 CZ ARG A 30 4.678 -1.278 11.289 1.00 0.00 C ATOM 478 NH1 ARG A 30 4.557 -2.193 10.336 1.00 0.00 N ATOM 479 NH2 ARG A 30 4.575 -1.636 12.562 1.00 0.00 N ATOM 0 H ARG A 30 8.932 -0.866 8.269 1.00 0.00 H new ATOM 0 HA ARG A 30 8.690 1.984 8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.729 -0.404 10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.184 1.259 10.684 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.540 0.758 8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.442 -0.876 8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.866 1.562 9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.259 0.032 8.983 1.00 0.00 H new ATOM 0 HE ARG A 30 4.990 0.672 11.734 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.636 -1.922 9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.385 -3.167 10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.668 -0.936 13.298 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.403 -2.612 12.805 1.00 0.00 H new ATOM 493 N GLY A 31 10.695 2.003 10.409 1.00 0.00 N ATOM 494 CA GLY A 31 11.826 2.069 11.317 1.00 0.00 C ATOM 495 C GLY A 31 12.845 0.974 11.067 1.00 0.00 C ATOM 496 O GLY A 31 12.997 0.504 9.940 1.00 0.00 O ATOM 0 H GLY A 31 10.516 2.861 9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.311 3.040 11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.467 1.997 12.344 1.00 0.00 H new ATOM 500 N ASN A 32 13.544 0.570 12.123 1.00 0.00 N ATOM 501 CA ASN A 32 14.555 -0.478 12.017 1.00 0.00 C ATOM 502 C ASN A 32 13.952 -1.770 11.472 1.00 0.00 C ATOM 503 O ASN A 32 14.666 -2.625 10.947 1.00 0.00 O ATOM 504 CB ASN A 32 15.196 -0.735 13.383 1.00 0.00 C ATOM 505 CG ASN A 32 16.508 0.004 13.553 1.00 0.00 C ATOM 506 OD1 ASN A 32 16.668 0.806 14.474 1.00 0.00 O ATOM 507 ND2 ASN A 32 17.457 -0.262 12.664 1.00 0.00 N ATOM 0 H ASN A 32 13.429 0.952 13.062 1.00 0.00 H new ATOM 0 HA ASN A 32 15.321 -0.138 11.320 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.505 -0.429 14.169 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.366 -1.805 13.506 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.361 0.205 12.728 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.282 -0.934 11.917 1.00 0.00 H new ATOM 514 N ARG A 33 12.634 -1.908 11.597 1.00 0.00 N ATOM 515 CA ARG A 33 11.944 -3.098 11.112 1.00 0.00 C ATOM 516 C ARG A 33 11.435 -2.882 9.690 1.00 0.00 C ATOM 517 O ARG A 33 10.259 -2.589 9.477 1.00 0.00 O ATOM 518 CB ARG A 33 10.776 -3.457 12.040 1.00 0.00 C ATOM 519 CG ARG A 33 9.937 -4.626 11.548 1.00 0.00 C ATOM 520 CD ARG A 33 10.753 -5.908 11.469 1.00 0.00 C ATOM 521 NE ARG A 33 10.396 -6.850 12.529 1.00 0.00 N ATOM 522 CZ ARG A 33 10.962 -6.868 13.734 1.00 0.00 C ATOM 523 NH1 ARG A 33 11.918 -6.000 14.043 1.00 0.00 N ATOM 524 NH2 ARG A 33 10.570 -7.759 14.635 1.00 0.00 N ATOM 0 H ARG A 33 12.025 -1.213 12.029 1.00 0.00 H new ATOM 0 HA ARG A 33 12.654 -3.925 11.106 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.169 -3.695 13.028 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.134 -2.584 12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.090 -4.774 12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.529 -4.393 10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.597 -6.378 10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.814 -5.668 11.540 1.00 0.00 H new ATOM 0 HE ARG A 33 9.668 -7.536 12.333 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.224 -5.312 13.355 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.346 -6.021 14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.836 -8.429 14.404 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.002 -7.774 15.559 1.00 0.00 H new ATOM 538 N LYS A 34 12.331 -3.030 8.720 1.00 0.00 N ATOM 539 CA LYS A 34 11.970 -2.854 7.317 1.00 0.00 C ATOM 540 C LYS A 34 11.304 -4.111 6.772 1.00 0.00 C ATOM 541 O LYS A 34 11.310 -5.157 7.420 1.00 0.00 O ATOM 542 CB LYS A 34 13.202 -2.507 6.477 1.00 0.00 C ATOM 543 CG LYS A 34 14.427 -3.342 6.809 1.00 0.00 C ATOM 544 CD LYS A 34 15.321 -2.634 7.811 1.00 0.00 C ATOM 545 CE LYS A 34 16.064 -3.624 8.694 1.00 0.00 C ATOM 546 NZ LYS A 34 16.921 -2.938 9.699 1.00 0.00 N ATOM 0 H LYS A 34 13.310 -3.271 8.878 1.00 0.00 H new ATOM 0 HA LYS A 34 11.263 -2.027 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.960 -2.638 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.443 -1.454 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.115 -4.305 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.989 -3.546 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.039 -2.008 7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.719 -1.972 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.345 -4.264 9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.682 -4.272 8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.648 -3.597 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.380 -2.114 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.335 -2.622 10.498 1.00 0.00 H new ATOM 560 N SER A 35 10.723 -4.005 5.580 1.00 0.00 N ATOM 561 CA SER A 35 10.048 -5.138 4.957 1.00 0.00 C ATOM 562 C SER A 35 9.036 -5.757 5.916 1.00 0.00 C ATOM 563 O SER A 35 8.771 -6.959 5.868 1.00 0.00 O ATOM 564 CB SER A 35 11.069 -6.193 4.524 1.00 0.00 C ATOM 565 OG SER A 35 12.324 -5.601 4.238 1.00 0.00 O ATOM 0 H SER A 35 10.706 -3.148 5.028 1.00 0.00 H new ATOM 0 HA SER A 35 9.517 -4.776 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.185 -6.936 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.702 -6.719 3.642 1.00 0.00 H new ATOM 0 HG SER A 35 12.959 -6.296 3.965 1.00 0.00 H new ATOM 571 N ALA A 36 8.472 -4.924 6.789 1.00 0.00 N ATOM 572 CA ALA A 36 7.491 -5.381 7.764 1.00 0.00 C ATOM 573 C ALA A 36 6.334 -6.106 7.085 1.00 0.00 C ATOM 574 O ALA A 36 5.925 -7.185 7.514 1.00 0.00 O ATOM 575 CB ALA A 36 6.973 -4.201 8.570 1.00 0.00 C ATOM 0 H ALA A 36 8.680 -3.927 6.839 1.00 0.00 H new ATOM 0 HA ALA A 36 7.980 -6.087 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.240 -4.551 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.803 -3.725 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.504 -3.480 7.900 1.00 0.00 H new ATOM 581 N TYR A 37 5.811 -5.502 6.026 1.00 0.00 N ATOM 582 CA TYR A 37 4.699 -6.079 5.284 1.00 0.00 C ATOM 583 C TYR A 37 4.753 -5.696 3.809 1.00 0.00 C ATOM 584 O TYR A 37 5.130 -4.578 3.457 1.00 0.00 O ATOM 585 CB TYR A 37 3.369 -5.624 5.888 1.00 0.00 C ATOM 586 CG TYR A 37 2.534 -6.764 6.414 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.896 -7.429 7.575 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.389 -7.178 5.746 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.139 -8.479 8.062 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.626 -8.227 6.224 1.00 0.00 C ATOM 591 CZ TYR A 37 1.005 -8.873 7.383 1.00 0.00 C ATOM 592 OH TYR A 37 0.249 -9.919 7.862 1.00 0.00 O ATOM 0 H TYR A 37 6.141 -4.609 5.661 1.00 0.00 H new ATOM 0 HA TYR A 37 4.780 -7.164 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.567 -4.923 6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.800 -5.084 5.131 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.784 -7.122 8.108 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.090 -6.673 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.434 -8.987 8.968 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.261 -8.539 5.693 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.528 -9.567 8.344 1.00 0.00 H new ATOM 602 N GLN A 38 4.360 -6.634 2.954 1.00 0.00 N ATOM 603 CA GLN A 38 4.343 -6.412 1.512 1.00 0.00 C ATOM 604 C GLN A 38 3.271 -7.278 0.868 1.00 0.00 C ATOM 605 O GLN A 38 2.962 -8.362 1.365 1.00 0.00 O ATOM 606 CB GLN A 38 5.707 -6.720 0.881 1.00 0.00 C ATOM 607 CG GLN A 38 6.824 -6.973 1.883 1.00 0.00 C ATOM 608 CD GLN A 38 6.646 -8.273 2.644 1.00 0.00 C ATOM 609 OE1 GLN A 38 6.054 -9.225 2.136 1.00 0.00 O ATOM 610 NE2 GLN A 38 7.158 -8.318 3.869 1.00 0.00 N ATOM 0 H GLN A 38 4.047 -7.562 3.237 1.00 0.00 H new ATOM 0 HA GLN A 38 4.119 -5.360 1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.607 -7.595 0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.993 -5.886 0.240 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.779 -6.992 1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.865 -6.145 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.641 -7.504 4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.068 -9.166 4.428 1.00 0.00 H new ATOM 619 N GLY A 39 2.702 -6.805 -0.233 1.00 0.00 N ATOM 620 CA GLY A 39 1.671 -7.575 -0.902 1.00 0.00 C ATOM 621 C GLY A 39 1.318 -7.030 -2.267 1.00 0.00 C ATOM 622 O GLY A 39 2.182 -6.889 -3.133 1.00 0.00 O ATOM 0 H GLY A 39 2.932 -5.913 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.005 -8.607 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.776 -7.590 -0.280 1.00 0.00 H new ATOM 626 N ARG A 40 0.041 -6.726 -2.461 1.00 0.00 N ATOM 627 CA ARG A 40 -0.435 -6.196 -3.727 1.00 0.00 C ATOM 628 C ARG A 40 -1.688 -5.372 -3.497 1.00 0.00 C ATOM 629 O ARG A 40 -2.310 -5.461 -2.439 1.00 0.00 O ATOM 630 CB ARG A 40 -0.717 -7.334 -4.709 1.00 0.00 C ATOM 631 CG ARG A 40 -1.913 -8.194 -4.325 1.00 0.00 C ATOM 632 CD ARG A 40 -1.586 -9.678 -4.398 1.00 0.00 C ATOM 633 NE ARG A 40 -2.556 -10.413 -5.206 1.00 0.00 N ATOM 634 CZ ARG A 40 -3.770 -10.753 -4.781 1.00 0.00 C ATOM 635 NH1 ARG A 40 -4.167 -10.425 -3.557 1.00 0.00 N ATOM 636 NH2 ARG A 40 -4.589 -11.422 -5.580 1.00 0.00 N ATOM 0 H ARG A 40 -0.684 -6.839 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 40 0.336 -5.557 -4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.887 -6.913 -5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.167 -7.968 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.233 -7.941 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.749 -7.972 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.589 -9.809 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.564 -10.094 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.286 -10.682 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.540 -9.910 -2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.099 -10.688 -3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.289 -11.676 -6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.520 -11.683 -5.254 1.00 0.00 H new ATOM 650 N TYR A 41 -2.057 -4.564 -4.477 1.00 0.00 N ATOM 651 CA TYR A 41 -3.236 -3.727 -4.340 1.00 0.00 C ATOM 652 C TYR A 41 -4.045 -3.663 -5.624 1.00 0.00 C ATOM 653 O TYR A 41 -3.516 -3.828 -6.724 1.00 0.00 O ATOM 654 CB TYR A 41 -2.837 -2.312 -3.930 1.00 0.00 C ATOM 655 CG TYR A 41 -1.579 -1.820 -4.603 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.334 -2.078 -4.047 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.633 -1.102 -5.793 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.820 -1.634 -4.655 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.479 -0.656 -6.407 1.00 0.00 C ATOM 660 CZ TYR A 41 0.745 -0.924 -5.835 1.00 0.00 C ATOM 661 OH TYR A 41 1.897 -0.481 -6.443 1.00 0.00 O ATOM 0 H TYR A 41 -1.564 -4.470 -5.365 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.858 -4.179 -3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.655 -1.631 -4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.697 -2.282 -2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.269 -2.635 -3.124 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.591 -0.890 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.781 -1.842 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.536 -0.100 -7.331 1.00 0.00 H new ATOM 0 HH TYR A 41 2.675 -0.884 -6.003 1.00 0.00 H new ATOM 671 N GLU A 42 -5.330 -3.390 -5.463 1.00 0.00 N ATOM 672 CA GLU A 42 -6.239 -3.260 -6.591 1.00 0.00 C ATOM 673 C GLU A 42 -6.840 -1.860 -6.593 1.00 0.00 C ATOM 674 O GLU A 42 -7.364 -1.406 -5.581 1.00 0.00 O ATOM 675 CB GLU A 42 -7.348 -4.312 -6.512 1.00 0.00 C ATOM 676 CG GLU A 42 -7.581 -5.049 -7.820 1.00 0.00 C ATOM 677 CD GLU A 42 -8.821 -4.565 -8.548 1.00 0.00 C ATOM 678 OE1 GLU A 42 -8.759 -3.485 -9.170 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.851 -5.269 -8.498 1.00 0.00 O ATOM 0 H GLU A 42 -5.770 -3.253 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.685 -3.419 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.096 -5.036 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.276 -3.828 -6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.712 -4.921 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.675 -6.116 -7.620 1.00 0.00 H new ATOM 686 N VAL A 43 -6.740 -1.172 -7.722 1.00 0.00 N ATOM 687 CA VAL A 43 -7.254 0.189 -7.830 1.00 0.00 C ATOM 688 C VAL A 43 -8.581 0.237 -8.581 1.00 0.00 C ATOM 689 O VAL A 43 -8.712 -0.309 -9.677 1.00 0.00 O ATOM 690 CB VAL A 43 -6.224 1.111 -8.521 1.00 0.00 C ATOM 691 CG1 VAL A 43 -6.834 2.462 -8.875 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.001 1.290 -7.635 1.00 0.00 C ATOM 0 H VAL A 43 -6.309 -1.531 -8.574 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.429 0.547 -6.815 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.917 0.635 -9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.082 3.085 -9.359 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.675 2.315 -9.553 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.182 2.953 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.283 1.942 -8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.301 1.738 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.542 0.319 -7.449 1.00 0.00 H new ATOM 702 N ARG A 44 -9.562 0.904 -7.976 1.00 0.00 N ATOM 703 CA ARG A 44 -10.886 1.042 -8.572 1.00 0.00 C ATOM 704 C ARG A 44 -11.421 2.456 -8.371 1.00 0.00 C ATOM 705 O ARG A 44 -12.048 2.752 -7.354 1.00 0.00 O ATOM 706 CB ARG A 44 -11.851 0.032 -7.952 1.00 0.00 C ATOM 707 CG ARG A 44 -12.915 -0.463 -8.917 1.00 0.00 C ATOM 708 CD ARG A 44 -14.171 0.392 -8.853 1.00 0.00 C ATOM 709 NE ARG A 44 -15.267 -0.293 -8.169 1.00 0.00 N ATOM 710 CZ ARG A 44 -15.931 -1.324 -8.684 1.00 0.00 C ATOM 711 NH1 ARG A 44 -15.617 -1.793 -9.885 1.00 0.00 N ATOM 712 NH2 ARG A 44 -16.914 -1.888 -7.997 1.00 0.00 N ATOM 0 H ARG A 44 -9.462 1.359 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.802 0.848 -9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.283 -0.821 -7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.338 0.489 -7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.519 -0.453 -9.932 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.166 -1.498 -8.683 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.948 1.325 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.483 0.654 -9.864 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.538 0.039 -7.243 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.862 -1.363 -10.419 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.130 -2.584 -10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.161 -1.531 -7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.424 -2.679 -8.391 1.00 0.00 H new ATOM 726 N GLY A 45 -11.171 3.328 -9.343 1.00 0.00 N ATOM 727 CA GLY A 45 -11.636 4.699 -9.245 1.00 0.00 C ATOM 728 C GLY A 45 -11.022 5.434 -8.068 1.00 0.00 C ATOM 729 O GLY A 45 -11.715 6.144 -7.341 1.00 0.00 O ATOM 0 H GLY A 45 -10.655 3.110 -10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.395 5.229 -10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.722 4.706 -9.148 1.00 0.00 H new ATOM 733 N ALA A 46 -9.713 5.251 -7.880 1.00 0.00 N ATOM 734 CA ALA A 46 -8.980 5.886 -6.782 1.00 0.00 C ATOM 735 C ALA A 46 -9.097 5.085 -5.487 1.00 0.00 C ATOM 736 O ALA A 46 -8.364 5.335 -4.530 1.00 0.00 O ATOM 737 CB ALA A 46 -9.447 7.321 -6.566 1.00 0.00 C ATOM 0 H ALA A 46 -9.135 4.663 -8.480 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.928 5.906 -7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.885 7.767 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.280 7.899 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.510 7.325 -6.323 1.00 0.00 H new ATOM 743 N HIS A 47 -10.002 4.109 -5.463 1.00 0.00 N ATOM 744 CA HIS A 47 -10.183 3.268 -4.286 1.00 0.00 C ATOM 745 C HIS A 47 -9.340 2.011 -4.431 1.00 0.00 C ATOM 746 O HIS A 47 -9.397 1.338 -5.460 1.00 0.00 O ATOM 747 CB HIS A 47 -11.658 2.894 -4.118 1.00 0.00 C ATOM 748 CG HIS A 47 -12.255 3.375 -2.833 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.432 2.559 -1.734 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.720 4.595 -2.469 1.00 0.00 C ATOM 751 CE1 HIS A 47 -12.980 3.255 -0.753 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.163 4.493 -1.174 1.00 0.00 N ATOM 0 H HIS A 47 -10.619 3.883 -6.243 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.865 3.819 -3.401 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.226 3.308 -4.951 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.758 1.810 -4.172 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.738 5.483 -3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.235 2.876 0.226 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.568 5.251 -0.625 1.00 0.00 H new ATOM 761 N ILE A 48 -8.542 1.696 -3.418 1.00 0.00 N ATOM 762 CA ILE A 48 -7.688 0.519 -3.494 1.00 0.00 C ATOM 763 C ILE A 48 -7.507 -0.144 -2.138 1.00 0.00 C ATOM 764 O ILE A 48 -7.536 0.512 -1.101 1.00 0.00 O ATOM 765 CB ILE A 48 -6.295 0.863 -4.105 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.139 0.225 -3.308 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.102 2.370 -4.204 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.840 0.910 -1.987 1.00 0.00 C ATOM 0 H ILE A 48 -8.469 2.228 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.195 -0.187 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.275 0.440 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.379 -0.821 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.239 0.238 -3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.123 2.584 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.878 2.795 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.166 2.811 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.015 0.399 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.566 1.949 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.724 0.874 -1.350 1.00 0.00 H new ATOM 780 N ASN A 49 -7.283 -1.450 -2.174 1.00 0.00 N ATOM 781 CA ASN A 49 -7.055 -2.226 -0.968 1.00 0.00 C ATOM 782 C ASN A 49 -5.762 -3.024 -1.111 1.00 0.00 C ATOM 783 O ASN A 49 -5.173 -3.072 -2.189 1.00 0.00 O ATOM 784 CB ASN A 49 -8.232 -3.166 -0.688 1.00 0.00 C ATOM 785 CG ASN A 49 -9.575 -2.539 -1.016 1.00 0.00 C ATOM 786 OD1 ASN A 49 -9.707 -1.318 -1.073 1.00 0.00 O ATOM 787 ND2 ASN A 49 -10.585 -3.376 -1.231 1.00 0.00 N ATOM 0 H ASN A 49 -7.255 -1.996 -3.035 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.966 -1.541 -0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.110 -4.078 -1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.218 -3.456 0.363 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.511 -3.011 -1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.434 -4.383 -1.174 1.00 0.00 H new ATOM 794 N TYR A 50 -5.325 -3.641 -0.024 1.00 0.00 N ATOM 795 CA TYR A 50 -4.104 -4.427 -0.027 1.00 0.00 C ATOM 796 C TYR A 50 -4.398 -5.838 0.450 1.00 0.00 C ATOM 797 O TYR A 50 -4.768 -6.035 1.602 1.00 0.00 O ATOM 798 CB TYR A 50 -3.072 -3.791 0.908 1.00 0.00 C ATOM 799 CG TYR A 50 -2.535 -2.457 0.436 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.625 -2.378 -0.609 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.937 -1.272 1.045 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.130 -1.160 -1.034 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.448 -0.050 0.624 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.545 0.000 -0.416 1.00 0.00 C ATOM 805 OH TYR A 50 -1.055 1.215 -0.838 1.00 0.00 O ATOM 0 H TYR A 50 -5.803 -3.611 0.877 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.709 -4.457 -1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.524 -3.659 1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.237 -4.481 1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.298 -3.284 -1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.644 -1.308 1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.421 -1.117 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.771 0.860 1.107 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.449 1.932 -0.298 1.00 0.00 H new ATOM 815 N TRP A 51 -4.233 -6.818 -0.426 1.00 0.00 N ATOM 816 CA TRP A 51 -4.485 -8.201 -0.053 1.00 0.00 C ATOM 817 C TRP A 51 -3.171 -8.967 0.038 1.00 0.00 C ATOM 818 O TRP A 51 -2.689 -9.519 -0.951 1.00 0.00 O ATOM 819 CB TRP A 51 -5.435 -8.865 -1.055 1.00 0.00 C ATOM 820 CG TRP A 51 -5.774 -10.298 -0.745 1.00 0.00 C ATOM 821 CD1 TRP A 51 -5.235 -11.095 0.229 1.00 0.00 C ATOM 822 CD2 TRP A 51 -6.743 -11.103 -1.427 1.00 0.00 C ATOM 823 NE1 TRP A 51 -5.812 -12.342 0.189 1.00 0.00 N ATOM 824 CE2 TRP A 51 -6.739 -12.372 -0.817 1.00 0.00 C ATOM 825 CE3 TRP A 51 -7.615 -10.873 -2.496 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -7.573 -13.405 -1.240 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -8.441 -11.898 -2.915 1.00 0.00 C ATOM 828 CH2 TRP A 51 -8.415 -13.150 -2.288 1.00 0.00 C ATOM 0 H TRP A 51 -3.929 -6.683 -1.390 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.963 -8.218 0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.359 -8.288 -1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -4.985 -8.819 -2.047 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.469 -10.789 0.926 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.586 -13.120 0.809 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.642 -9.911 -2.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.555 -14.371 -0.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.118 -11.731 -3.740 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -9.073 -13.931 -2.639 1.00 0.00 H new ATOM 839 N ASP A 52 -2.592 -8.979 1.234 1.00 0.00 N ATOM 840 CA ASP A 52 -1.319 -9.660 1.463 1.00 0.00 C ATOM 841 C ASP A 52 -1.447 -11.167 1.286 1.00 0.00 C ATOM 842 O ASP A 52 -2.544 -11.724 1.351 1.00 0.00 O ATOM 843 CB ASP A 52 -0.792 -9.356 2.864 1.00 0.00 C ATOM 844 CG ASP A 52 -0.026 -8.049 2.923 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.656 -6.984 2.747 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.203 -8.091 3.142 1.00 0.00 O ATOM 0 H ASP A 52 -2.982 -8.526 2.060 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.615 -9.285 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.628 -9.316 3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.143 -10.169 3.189 1.00 0.00 H new ATOM 851 N ASP A 53 -0.311 -11.819 1.072 1.00 0.00 N ATOM 852 CA ASP A 53 -0.278 -13.265 0.894 1.00 0.00 C ATOM 853 C ASP A 53 -0.219 -13.985 2.240 1.00 0.00 C ATOM 854 O ASP A 53 -0.412 -15.198 2.309 1.00 0.00 O ATOM 855 CB ASP A 53 0.924 -13.664 0.034 1.00 0.00 C ATOM 856 CG ASP A 53 0.557 -13.838 -1.426 1.00 0.00 C ATOM 857 OD1 ASP A 53 0.179 -14.963 -1.815 1.00 0.00 O ATOM 858 OD2 ASP A 53 0.648 -12.848 -2.183 1.00 0.00 O ATOM 0 H ASP A 53 0.602 -11.368 1.017 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.196 -13.563 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.699 -12.903 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.346 -14.595 0.413 1.00 0.00 H new ATOM 863 N THR A 54 0.056 -13.238 3.310 1.00 0.00 N ATOM 864 CA THR A 54 0.143 -13.827 4.644 1.00 0.00 C ATOM 865 C THR A 54 -1.197 -13.773 5.374 1.00 0.00 C ATOM 866 O THR A 54 -1.247 -13.803 6.603 1.00 0.00 O ATOM 867 CB THR A 54 1.227 -13.133 5.470 1.00 0.00 C ATOM 868 OG1 THR A 54 1.446 -13.822 6.689 1.00 0.00 O ATOM 869 CG2 THR A 54 0.898 -11.697 5.811 1.00 0.00 C ATOM 0 H THR A 54 0.221 -12.232 3.279 1.00 0.00 H new ATOM 0 HA THR A 54 0.411 -14.876 4.521 1.00 0.00 H new ATOM 0 HB THR A 54 2.117 -13.144 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.586 -14.002 7.122 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.710 -11.267 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.772 -11.125 4.892 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.025 -11.663 6.390 1.00 0.00 H new ATOM 877 N GLY A 55 -2.278 -13.725 4.607 1.00 0.00 N ATOM 878 CA GLY A 55 -3.608 -13.702 5.189 1.00 0.00 C ATOM 879 C GLY A 55 -4.034 -12.351 5.740 1.00 0.00 C ATOM 880 O GLY A 55 -4.885 -12.291 6.627 1.00 0.00 O ATOM 0 H GLY A 55 -2.258 -13.701 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.327 -14.014 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.652 -14.437 5.992 1.00 0.00 H new ATOM 884 N PHE A 56 -3.473 -11.261 5.217 1.00 0.00 N ATOM 885 CA PHE A 56 -3.845 -9.936 5.679 1.00 0.00 C ATOM 886 C PHE A 56 -4.473 -9.152 4.540 1.00 0.00 C ATOM 887 O PHE A 56 -4.322 -9.502 3.369 1.00 0.00 O ATOM 888 CB PHE A 56 -2.614 -9.194 6.235 1.00 0.00 C ATOM 889 CG PHE A 56 -2.601 -7.702 5.982 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.565 -7.197 4.687 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.636 -6.808 7.040 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.566 -5.833 4.457 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.635 -5.444 6.816 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.600 -4.956 5.523 1.00 0.00 C ATOM 0 H PHE A 56 -2.767 -11.274 4.481 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.574 -10.033 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.559 -9.366 7.310 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.716 -9.630 5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.536 -7.879 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.664 -7.182 8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.540 -5.455 3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.662 -4.760 7.651 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.599 -3.890 5.347 1.00 0.00 H new ATOM 904 N THR A 57 -5.141 -8.069 4.892 1.00 0.00 N ATOM 905 CA THR A 57 -5.753 -7.204 3.896 1.00 0.00 C ATOM 906 C THR A 57 -6.059 -5.832 4.479 1.00 0.00 C ATOM 907 O THR A 57 -6.458 -5.709 5.637 1.00 0.00 O ATOM 908 CB THR A 57 -7.020 -7.820 3.291 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.169 -7.064 3.631 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.285 -9.256 3.705 1.00 0.00 C ATOM 0 H THR A 57 -5.274 -7.767 5.857 1.00 0.00 H new ATOM 0 HA THR A 57 -5.027 -7.090 3.091 1.00 0.00 H new ATOM 0 HB THR A 57 -6.832 -7.807 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.963 -7.477 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.200 -9.609 3.230 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.450 -9.884 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.395 -9.308 4.788 1.00 0.00 H new ATOM 918 N ALA A 58 -5.870 -4.802 3.662 1.00 0.00 N ATOM 919 CA ALA A 58 -6.127 -3.431 4.099 1.00 0.00 C ATOM 920 C ALA A 58 -6.703 -2.581 2.969 1.00 0.00 C ATOM 921 O ALA A 58 -6.087 -2.429 1.920 1.00 0.00 O ATOM 922 CB ALA A 58 -4.849 -2.801 4.632 1.00 0.00 C ATOM 0 H ALA A 58 -5.542 -4.887 2.700 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.868 -3.469 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.054 -1.780 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.482 -3.382 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.094 -2.789 3.846 1.00 0.00 H new ATOM 928 N ASP A 59 -7.890 -2.026 3.194 1.00 0.00 N ATOM 929 CA ASP A 59 -8.546 -1.194 2.189 1.00 0.00 C ATOM 930 C ASP A 59 -8.166 0.275 2.344 1.00 0.00 C ATOM 931 O ASP A 59 -7.873 0.742 3.445 1.00 0.00 O ATOM 932 CB ASP A 59 -10.065 -1.351 2.283 1.00 0.00 C ATOM 933 CG ASP A 59 -10.583 -1.131 3.691 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.517 -2.079 4.503 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.055 -0.013 3.982 1.00 0.00 O ATOM 0 H ASP A 59 -8.417 -2.136 4.061 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.207 -1.529 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.543 -0.641 1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.346 -2.349 1.947 1.00 0.00 H new ATOM 940 N GLY A 60 -8.176 0.995 1.226 1.00 0.00 N ATOM 941 CA GLY A 60 -7.836 2.407 1.240 1.00 0.00 C ATOM 942 C GLY A 60 -8.439 3.151 0.064 1.00 0.00 C ATOM 943 O GLY A 60 -9.243 2.591 -0.681 1.00 0.00 O ATOM 0 H GLY A 60 -8.415 0.624 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.187 2.855 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.752 2.519 1.222 1.00 0.00 H new ATOM 947 N ASP A 61 -8.053 4.411 -0.107 1.00 0.00 N ATOM 948 CA ASP A 61 -8.570 5.219 -1.204 1.00 0.00 C ATOM 949 C ASP A 61 -7.776 6.511 -1.361 1.00 0.00 C ATOM 950 O ASP A 61 -7.515 7.215 -0.385 1.00 0.00 O ATOM 951 CB ASP A 61 -10.048 5.544 -0.971 1.00 0.00 C ATOM 952 CG ASP A 61 -10.310 6.066 0.427 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.214 7.296 0.629 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.613 5.249 1.320 1.00 0.00 O ATOM 0 H ASP A 61 -7.387 4.892 0.497 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.467 4.641 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.374 6.286 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.645 4.648 -1.139 1.00 0.00 H new ATOM 959 N PHE A 62 -7.401 6.822 -2.598 1.00 0.00 N ATOM 960 CA PHE A 62 -6.646 8.034 -2.884 1.00 0.00 C ATOM 961 C PHE A 62 -7.537 9.262 -2.769 1.00 0.00 C ATOM 962 O PHE A 62 -8.423 9.482 -3.595 1.00 0.00 O ATOM 963 CB PHE A 62 -6.035 7.981 -4.286 1.00 0.00 C ATOM 964 CG PHE A 62 -5.220 6.746 -4.576 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.829 5.883 -3.558 1.00 0.00 C ATOM 966 CD2 PHE A 62 -4.840 6.452 -5.876 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.078 4.757 -3.838 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.089 5.328 -6.158 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.707 4.479 -5.138 1.00 0.00 C ATOM 0 H PHE A 62 -7.608 6.251 -3.417 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.843 8.102 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.838 8.049 -5.020 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.402 8.857 -4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.115 6.095 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.135 7.111 -6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.781 4.094 -3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.800 5.113 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.119 3.600 -5.357 1.00 0.00 H new ATOM 979 N VAL A 63 -7.289 10.059 -1.743 1.00 0.00 N ATOM 980 CA VAL A 63 -8.063 11.274 -1.512 1.00 0.00 C ATOM 981 C VAL A 63 -7.556 12.428 -2.374 1.00 0.00 C ATOM 982 O VAL A 63 -8.265 13.411 -2.585 1.00 0.00 O ATOM 983 CB VAL A 63 -8.026 11.707 -0.034 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.990 10.869 0.792 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.611 11.614 0.519 1.00 0.00 C ATOM 0 H VAL A 63 -6.557 9.889 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.091 11.037 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.343 12.748 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.950 11.189 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.003 10.998 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.708 9.818 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.608 11.924 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.258 10.585 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.952 12.266 -0.055 1.00 0.00 H new ATOM 995 N SER A 64 -6.328 12.303 -2.867 1.00 0.00 N ATOM 996 CA SER A 64 -5.736 13.342 -3.702 1.00 0.00 C ATOM 997 C SER A 64 -4.801 12.736 -4.744 1.00 0.00 C ATOM 998 O SER A 64 -4.776 11.521 -4.937 1.00 0.00 O ATOM 999 CB SER A 64 -4.972 14.347 -2.838 1.00 0.00 C ATOM 1000 OG SER A 64 -4.482 15.423 -3.618 1.00 0.00 O ATOM 0 H SER A 64 -5.726 11.496 -2.704 1.00 0.00 H new ATOM 0 HA SER A 64 -6.543 13.859 -4.221 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.627 14.730 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.141 13.846 -2.341 1.00 0.00 H new ATOM 0 HG SER A 64 -3.999 16.052 -3.042 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.034 13.592 -5.411 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.098 13.143 -6.431 1.00 0.00 C ATOM 1008 C ALA A 65 -1.796 12.650 -5.807 1.00 0.00 C ATOM 1009 O ALA A 65 -1.122 11.781 -6.360 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.818 14.264 -7.421 1.00 0.00 C ATOM 0 H ALA A 65 -4.043 14.601 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.554 12.308 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.116 13.914 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.749 14.566 -7.901 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.388 15.116 -6.894 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.447 13.213 -4.654 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.221 12.829 -3.959 1.00 0.00 C ATOM 1018 C ASN A 66 -0.513 12.319 -2.547 1.00 0.00 C ATOM 1019 O ASN A 66 0.406 11.947 -1.817 1.00 0.00 O ATOM 1020 CB ASN A 66 0.746 14.013 -3.894 1.00 0.00 C ATOM 1021 CG ASN A 66 1.831 13.951 -4.959 1.00 0.00 C ATOM 1022 OD1 ASN A 66 2.944 14.436 -4.747 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.520 13.358 -6.109 1.00 0.00 N ATOM 0 H ASN A 66 -1.993 13.934 -4.182 1.00 0.00 H new ATOM 0 HA ASN A 66 0.238 12.018 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.185 14.940 -4.008 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.212 14.041 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.214 13.293 -6.853 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.587 12.969 -6.246 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.788 12.299 -2.162 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.173 11.828 -0.837 1.00 0.00 C ATOM 1032 C GLU A 67 -2.839 10.459 -0.924 1.00 0.00 C ATOM 1033 O GLU A 67 -3.489 10.134 -1.916 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.114 12.827 -0.164 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.915 12.932 1.339 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.281 14.299 1.882 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -2.417 15.200 1.853 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.432 14.468 2.339 1.00 0.00 O ATOM 0 H GLU A 67 -2.567 12.602 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.269 11.738 -0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.967 13.810 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.145 12.536 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.521 12.174 1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.874 12.716 1.580 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.661 9.659 0.120 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.231 8.319 0.167 1.00 0.00 C ATOM 1047 C LEU A 68 -3.905 8.076 1.512 1.00 0.00 C ATOM 1048 O LEU A 68 -3.427 8.539 2.546 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.116 7.290 -0.100 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.313 5.861 0.445 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.511 5.827 1.954 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.472 5.185 -0.261 1.00 0.00 C ATOM 0 H LEU A 68 -2.124 9.917 0.948 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.996 8.214 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.975 7.221 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.190 7.684 0.318 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.394 5.312 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.645 4.796 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.636 6.253 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.394 6.408 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.600 4.177 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.384 5.758 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.266 5.133 -1.330 1.00 0.00 H new ATOM 1064 N HIS A 69 -5.006 7.335 1.493 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.727 7.020 2.720 1.00 0.00 C ATOM 1066 C HIS A 69 -5.926 5.517 2.861 1.00 0.00 C ATOM 1067 O HIS A 69 -6.717 4.914 2.138 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.083 7.723 2.747 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.057 9.049 3.443 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -8.199 9.710 3.845 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -6.020 9.837 3.813 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.866 10.846 4.429 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.550 10.948 4.423 1.00 0.00 N ATOM 0 H HIS A 69 -5.418 6.943 0.646 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.127 7.376 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.429 7.866 1.723 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.808 7.077 3.241 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.971 9.631 3.658 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.554 11.569 4.842 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.014 11.725 4.809 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.207 4.919 3.802 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.312 3.484 4.042 1.00 0.00 C ATOM 1084 C HIS A 70 -5.280 3.186 5.536 1.00 0.00 C ATOM 1085 O HIS A 70 -4.468 3.744 6.274 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.193 2.730 3.299 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.004 2.368 4.142 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.084 1.553 5.254 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -1.696 2.696 4.016 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.880 1.398 5.773 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.021 2.081 5.041 1.00 0.00 N ATOM 0 H HIS A 70 -4.546 5.403 4.410 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.269 3.135 3.653 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.610 1.817 2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.854 3.343 2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.264 3.325 3.251 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.639 0.812 6.648 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.017 2.142 5.209 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.175 2.308 5.981 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.235 1.961 7.389 1.00 0.00 C ATOM 1102 C GLY A 71 -6.350 3.184 8.278 1.00 0.00 C ATOM 1103 O GLY A 71 -5.986 3.145 9.452 1.00 0.00 O ATOM 0 H GLY A 71 -6.858 1.832 5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.089 1.306 7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.341 1.399 7.661 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.859 4.275 7.710 1.00 0.00 N ATOM 1108 CA GLY A 72 -7.012 5.501 8.465 1.00 0.00 C ATOM 1109 C GLY A 72 -5.724 6.300 8.553 1.00 0.00 C ATOM 1110 O GLY A 72 -5.583 7.160 9.424 1.00 0.00 O ATOM 0 H GLY A 72 -7.168 4.329 6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.784 6.115 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.356 5.263 9.471 1.00 0.00 H new ATOM 1114 N MET A 73 -4.780 6.020 7.656 1.00 0.00 N ATOM 1115 CA MET A 73 -3.508 6.725 7.652 1.00 0.00 C ATOM 1116 C MET A 73 -3.408 7.669 6.459 1.00 0.00 C ATOM 1117 O MET A 73 -4.164 7.554 5.497 1.00 0.00 O ATOM 1118 CB MET A 73 -2.355 5.723 7.614 1.00 0.00 C ATOM 1119 CG MET A 73 -1.730 5.463 8.975 1.00 0.00 C ATOM 1120 SD MET A 73 -2.595 4.181 9.903 1.00 0.00 S ATOM 1121 CE MET A 73 -2.151 2.725 8.959 1.00 0.00 C ATOM 0 H MET A 73 -4.875 5.313 6.927 1.00 0.00 H new ATOM 0 HA MET A 73 -3.446 7.317 8.565 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.717 4.780 7.204 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.586 6.092 6.935 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.689 5.170 8.842 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.730 6.387 9.553 1.00 0.00 H new ATOM 0 HE1 MET A 73 -3.053 2.261 8.560 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.496 3.011 8.136 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.633 2.016 9.605 1.00 0.00 H new ATOM 1131 N THR A 74 -2.456 8.591 6.527 1.00 0.00 N ATOM 1132 CA THR A 74 -2.237 9.547 5.449 1.00 0.00 C ATOM 1133 C THR A 74 -0.853 9.343 4.848 1.00 0.00 C ATOM 1134 O THR A 74 0.159 9.661 5.474 1.00 0.00 O ATOM 1135 CB THR A 74 -2.384 10.982 5.959 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.523 11.105 6.790 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.514 11.999 4.844 1.00 0.00 C ATOM 0 H THR A 74 -1.822 8.697 7.319 1.00 0.00 H new ATOM 0 HA THR A 74 -2.990 9.379 4.679 1.00 0.00 H new ATOM 0 HB THR A 74 -1.469 11.189 6.514 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.598 12.029 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.615 12.997 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.626 11.963 4.213 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.395 11.771 4.244 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.814 8.795 3.642 1.00 0.00 N ATOM 1146 CA PHE A 75 0.448 8.529 2.966 1.00 0.00 C ATOM 1147 C PHE A 75 0.651 9.451 1.771 1.00 0.00 C ATOM 1148 O PHE A 75 -0.181 9.512 0.867 1.00 0.00 O ATOM 1149 CB PHE A 75 0.486 7.069 2.518 1.00 0.00 C ATOM 1150 CG PHE A 75 0.910 6.122 3.598 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.251 5.899 3.855 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.038 5.458 4.360 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.642 5.032 4.852 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.348 4.587 5.360 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.690 4.374 5.608 1.00 0.00 C ATOM 0 H PHE A 75 -1.642 8.526 3.111 1.00 0.00 H new ATOM 0 HA PHE A 75 1.259 8.721 3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.503 6.781 2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.169 6.974 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.000 6.410 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.088 5.623 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.692 4.867 5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.399 4.073 5.947 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.995 3.695 6.391 1.00 0.00 H new ATOM 1165 N TYR A 76 1.775 10.159 1.770 1.00 0.00 N ATOM 1166 CA TYR A 76 2.105 11.066 0.681 1.00 0.00 C ATOM 1167 C TYR A 76 3.049 10.379 -0.292 1.00 0.00 C ATOM 1168 O TYR A 76 3.858 9.540 0.103 1.00 0.00 O ATOM 1169 CB TYR A 76 2.734 12.349 1.221 1.00 0.00 C ATOM 1170 CG TYR A 76 1.909 13.001 2.304 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.932 12.517 3.604 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.098 14.095 2.024 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.170 13.103 4.596 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.333 14.687 3.011 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.374 14.186 4.295 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.385 14.773 5.282 1.00 0.00 O ATOM 0 H TYR A 76 2.473 10.121 2.513 1.00 0.00 H new ATOM 0 HA TYR A 76 1.188 11.334 0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.726 12.123 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.869 13.054 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.556 11.669 3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.065 14.489 1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.198 12.714 5.603 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.293 15.536 2.778 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.888 15.525 4.904 1.00 0.00 H new ATOM 1186 N ARG A 77 2.928 10.717 -1.566 1.00 0.00 N ATOM 1187 CA ARG A 77 3.759 10.101 -2.588 1.00 0.00 C ATOM 1188 C ARG A 77 5.196 10.594 -2.538 1.00 0.00 C ATOM 1189 O ARG A 77 5.460 11.776 -2.316 1.00 0.00 O ATOM 1190 CB ARG A 77 3.180 10.359 -3.978 1.00 0.00 C ATOM 1191 CG ARG A 77 3.663 9.375 -5.031 1.00 0.00 C ATOM 1192 CD ARG A 77 3.001 8.017 -4.872 1.00 0.00 C ATOM 1193 NE ARG A 77 2.668 7.418 -6.162 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.725 7.888 -6.976 1.00 0.00 C ATOM 1195 NH1 ARG A 77 1.021 8.959 -6.639 1.00 0.00 N ATOM 1196 NH2 ARG A 77 1.487 7.282 -8.133 1.00 0.00 N ATOM 0 H ARG A 77 2.267 11.410 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 77 3.765 9.030 -2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.092 10.315 -3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.443 11.370 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.450 9.770 -6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.745 9.264 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.667 7.351 -4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.094 8.123 -4.276 1.00 0.00 H new ATOM 0 HE ARG A 77 3.188 6.591 -6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.200 9.429 -5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.300 9.314 -7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.026 6.458 -8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.765 7.641 -8.758 1.00 0.00 H new ATOM 1210 N GLU A 78 6.110 9.654 -2.758 1.00 0.00 N ATOM 1211 CA GLU A 78 7.538 9.886 -2.768 1.00 0.00 C ATOM 1212 C GLU A 78 7.961 11.045 -1.896 1.00 0.00 C ATOM 1213 O GLU A 78 7.803 12.217 -2.237 1.00 0.00 O ATOM 1214 CB GLU A 78 8.040 10.058 -4.180 1.00 0.00 C ATOM 1215 CG GLU A 78 7.492 9.014 -5.131 1.00 0.00 C ATOM 1216 CD GLU A 78 6.772 9.621 -6.320 1.00 0.00 C ATOM 1217 OE1 GLU A 78 6.160 10.698 -6.158 1.00 0.00 O ATOM 1218 OE2 GLU A 78 6.817 9.017 -7.413 1.00 0.00 O ATOM 0 H GLU A 78 5.862 8.681 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 78 7.999 8.998 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.766 11.050 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.129 10.008 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.311 8.389 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.806 8.362 -4.591 1.00 0.00 H new ATOM 1225 N LYS A 79 8.514 10.670 -0.772 1.00 0.00 N ATOM 1226 CA LYS A 79 9.003 11.625 0.216 1.00 0.00 C ATOM 1227 C LYS A 79 10.512 11.500 0.394 1.00 0.00 C ATOM 1228 O LYS A 79 11.137 10.738 -0.374 1.00 0.00 O ATOM 1229 CB LYS A 79 8.301 11.408 1.557 1.00 0.00 C ATOM 1230 CG LYS A 79 6.897 11.992 1.611 1.00 0.00 C ATOM 1231 CD LYS A 79 6.878 13.334 2.324 1.00 0.00 C ATOM 1232 CE LYS A 79 5.650 13.478 3.208 1.00 0.00 C ATOM 1233 NZ LYS A 79 5.966 14.166 4.490 1.00 0.00 N ATOM 1234 OXT LYS A 79 11.058 12.165 1.300 1.00 0.00 O ATOM 0 H LYS A 79 8.643 9.694 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 79 8.780 12.629 -0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.249 10.339 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.902 11.855 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.513 12.112 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.232 11.297 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.778 13.438 2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.894 14.138 1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.883 14.039 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.236 12.492 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.099 14.259 5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.667 13.609 5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.353 15.111 4.291 1.00 0.00 H new TER 1248 LYS A 79