USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 811 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 35 THR OG1 : rot -110:sc= 0.581 USER MOD Set 1.2: A 56 GLN : amide:sc= 0.313 K(o=0.89,f=-1.3) USER MOD Set 2.1: A 39 GLN : amide:sc= -3.08! C(o=-2.2!,f=-6.4!) USER MOD Set 2.2: A 50 SER OG : rot -29:sc= 0.831 USER MOD Set 2.3: A 52 THR OG1 : rot -0:sc= 0.0357! USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0.514 USER MOD Set 3.2: A 59 HIS : no HD1:sc= -1.2 K(o=-0.68,f=-12!) USER MOD Set 4.1: A 4 MET CE :methyl -175:sc= -1.51 (180deg=-0.261) USER MOD Set 4.2: A 27 MET CE :methyl -141:sc= -4.04 (180deg=-6.27!) USER MOD Set 4.3: A 34 HIS : no HE2:sc= -5.25! K(o=-11!,f=-9.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.79) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.2) USER MOD Single : A 12 THR OG1 : rot -5:sc= 0.562! USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0743) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 23:sc= -0.0413 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 25 MET CE :methyl -156:sc= -0.165 (180deg=-0.86) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.699 K(o=-0.7,f=-0.16) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.727 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00444 USER MOD Single : A 46 THR OG1 : rot -160:sc= 0.00843 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc=0.000857 USER MOD Single : A 57 ASN : amide:sc= -1.79! C(o=-1.8!,f=-1.9!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.229 USER MOD Single : A 61 MET CE :methyl -143:sc= -2.36 (180deg=-2.39) USER MOD Single : A 69 SER OG : rot 48:sc= 0.166 USER MOD Single : A 70 THR OG1 : rot 4:sc= 0.357! USER MOD Single : A 72 TYR OH : rot -153:sc= -5.1! USER MOD Single : A 80 THR OG1 : rot 70:sc= 0.986 USER MOD Single : A 81 SER OG : rot -66:sc= 1.06 USER MOD Single : A 83 THR OG1 : rot -5:sc= 1.63 USER MOD Single : A 85 TYR OH : rot 137:sc= 0.687 USER MOD Single : A 86 ASN : amide:sc= -7.44! C(o=-7.4!,f=-4.4!) USER MOD Single : A 90 SER OG : rot 130:sc= 0.1 USER MOD Single : A 93 SER OG : rot 100:sc= -1.42 USER MOD Single : A 97 SER OG : rot -111:sc= -1.06! USER MOD Single : A 100 THR OG1 : rot -153:sc= 0.594 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.039 0.576 -9.527 1.00 0.00 N ATOM 2 CA MET A 1 11.340 1.916 -8.956 1.00 0.00 C ATOM 3 C MET A 1 10.954 3.029 -9.925 1.00 0.00 C ATOM 4 O MET A 1 11.474 3.103 -11.038 1.00 0.00 O ATOM 5 CB MET A 1 12.835 1.989 -8.642 1.00 0.00 C ATOM 6 CG MET A 1 13.260 3.301 -8.001 1.00 0.00 C ATOM 7 SD MET A 1 15.022 3.353 -7.621 1.00 0.00 S ATOM 8 CE MET A 1 14.981 3.708 -5.866 1.00 0.00 C ATOM 0 H1 MET A 1 11.312 -0.161 -8.846 1.00 0.00 H new ATOM 0 H2 MET A 1 10.021 0.504 -9.725 1.00 0.00 H new ATOM 0 H3 MET A 1 11.574 0.447 -10.410 1.00 0.00 H new ATOM 0 HA MET A 1 10.756 2.054 -8.046 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.098 1.167 -7.976 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.399 1.845 -9.564 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.013 4.125 -8.671 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.690 3.454 -7.084 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.000 3.771 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.471 4.657 -5.699 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.447 2.913 -5.346 1.00 0.00 H new ATOM 20 N ILE A 2 10.041 3.894 -9.494 1.00 0.00 N ATOM 21 CA ILE A 2 9.588 5.005 -10.322 1.00 0.00 C ATOM 22 C ILE A 2 10.721 5.994 -10.572 1.00 0.00 C ATOM 23 O ILE A 2 11.669 6.076 -9.793 1.00 0.00 O ATOM 24 CB ILE A 2 8.398 5.740 -9.676 1.00 0.00 C ATOM 25 CG1 ILE A 2 7.768 6.730 -10.669 1.00 0.00 C ATOM 26 CG2 ILE A 2 8.833 6.437 -8.392 1.00 0.00 C ATOM 27 CD1 ILE A 2 8.422 8.098 -10.698 1.00 0.00 C ATOM 0 H ILE A 2 9.600 3.846 -8.575 1.00 0.00 H new ATOM 0 HA ILE A 2 9.263 4.585 -11.274 1.00 0.00 H new ATOM 0 HB ILE A 2 7.636 5.006 -9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.813 6.299 -11.669 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.713 6.851 -10.421 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.979 6.951 -7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.216 5.698 -7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.615 7.162 -8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.913 8.729 -11.426 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.354 8.555 -9.711 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.470 7.994 -10.978 1.00 0.00 H new ATOM 39 N GLN A 3 10.616 6.739 -11.665 1.00 0.00 N ATOM 40 CA GLN A 3 11.636 7.719 -12.019 1.00 0.00 C ATOM 41 C GLN A 3 11.225 9.128 -11.606 1.00 0.00 C ATOM 42 O GLN A 3 11.593 9.603 -10.531 1.00 0.00 O ATOM 43 CB GLN A 3 11.925 7.668 -13.523 1.00 0.00 C ATOM 44 CG GLN A 3 12.843 8.781 -14.009 1.00 0.00 C ATOM 45 CD GLN A 3 12.824 8.942 -15.515 1.00 0.00 C ATOM 46 OE1 GLN A 3 12.985 7.973 -16.258 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.626 10.172 -15.974 1.00 0.00 N ATOM 0 H GLN A 3 9.837 6.684 -12.321 1.00 0.00 H new ATOM 0 HA GLN A 3 12.545 7.464 -11.474 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.376 6.706 -13.765 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.982 7.723 -14.067 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.545 9.721 -13.544 1.00 0.00 H new ATOM 0 HG3 GLN A 3 13.862 8.573 -13.683 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.497 10.945 -15.321 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.603 10.344 -16.979 1.00 0.00 H new ATOM 56 N MET A 4 10.476 9.793 -12.471 1.00 0.00 N ATOM 57 CA MET A 4 10.026 11.156 -12.206 1.00 0.00 C ATOM 58 C MET A 4 8.577 11.183 -11.733 1.00 0.00 C ATOM 59 O MET A 4 7.661 10.853 -12.485 1.00 0.00 O ATOM 60 CB MET A 4 10.175 12.016 -13.462 1.00 0.00 C ATOM 61 CG MET A 4 10.751 13.397 -13.194 1.00 0.00 C ATOM 62 SD MET A 4 10.695 14.467 -14.644 1.00 0.00 S ATOM 63 CE MET A 4 9.720 15.833 -14.018 1.00 0.00 C ATOM 0 H MET A 4 10.165 9.413 -13.365 1.00 0.00 H new ATOM 0 HA MET A 4 10.651 11.562 -11.411 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.817 11.496 -14.173 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.199 12.125 -13.935 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.198 13.865 -12.380 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.784 13.297 -12.861 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.522 16.538 -14.825 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.776 15.456 -13.625 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.269 16.337 -13.222 1.00 0.00 H new ATOM 73 N ALA A 5 8.378 11.590 -10.483 1.00 0.00 N ATOM 74 CA ALA A 5 7.046 11.676 -9.906 1.00 0.00 C ATOM 75 C ALA A 5 6.151 12.575 -10.755 1.00 0.00 C ATOM 76 O ALA A 5 6.316 13.796 -10.763 1.00 0.00 O ATOM 77 CB ALA A 5 7.122 12.199 -8.479 1.00 0.00 C ATOM 0 H ALA A 5 9.128 11.866 -9.850 1.00 0.00 H new ATOM 0 HA ALA A 5 6.612 10.676 -9.889 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.118 12.258 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.728 11.523 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.575 13.191 -8.479 1.00 0.00 H new ATOM 83 N PRO A 6 5.195 11.987 -11.492 1.00 0.00 N ATOM 84 CA PRO A 6 4.285 12.747 -12.352 1.00 0.00 C ATOM 85 C PRO A 6 3.542 13.834 -11.582 1.00 0.00 C ATOM 86 O PRO A 6 3.156 13.635 -10.430 1.00 0.00 O ATOM 87 CB PRO A 6 3.314 11.685 -12.870 1.00 0.00 C ATOM 88 CG PRO A 6 4.075 10.408 -12.777 1.00 0.00 C ATOM 89 CD PRO A 6 4.928 10.540 -11.550 1.00 0.00 C ATOM 0 HA PRO A 6 4.813 13.275 -13.146 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.406 11.651 -12.269 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.010 11.892 -13.896 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.402 9.555 -12.697 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.687 10.250 -13.665 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.410 10.188 -10.658 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.848 9.962 -11.633 1.00 0.00 H new ATOM 97 N PRO A 7 3.336 15.007 -12.205 1.00 0.00 N ATOM 98 CA PRO A 7 2.642 16.128 -11.566 1.00 0.00 C ATOM 99 C PRO A 7 1.252 15.746 -11.068 1.00 0.00 C ATOM 100 O PRO A 7 0.940 14.567 -10.902 1.00 0.00 O ATOM 101 CB PRO A 7 2.542 17.174 -12.681 1.00 0.00 C ATOM 102 CG PRO A 7 3.638 16.829 -13.628 1.00 0.00 C ATOM 103 CD PRO A 7 3.768 15.335 -13.577 1.00 0.00 C ATOM 0 HA PRO A 7 3.173 16.480 -10.682 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.569 17.137 -13.172 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.662 18.183 -12.288 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.403 17.167 -14.637 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.571 17.313 -13.339 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.140 14.850 -14.324 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.792 15.013 -13.765 1.00 0.00 H new ATOM 111 N SER A 8 0.421 16.756 -10.840 1.00 0.00 N ATOM 112 CA SER A 8 -0.943 16.542 -10.369 1.00 0.00 C ATOM 113 C SER A 8 -1.936 16.894 -11.468 1.00 0.00 C ATOM 114 O SER A 8 -2.177 18.068 -11.746 1.00 0.00 O ATOM 115 CB SER A 8 -1.215 17.386 -9.124 1.00 0.00 C ATOM 116 OG SER A 8 -2.548 17.216 -8.672 1.00 0.00 O ATOM 0 H SER A 8 0.669 17.736 -10.974 1.00 0.00 H new ATOM 0 HA SER A 8 -1.062 15.490 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.521 17.105 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.035 18.438 -9.348 1.00 0.00 H new ATOM 0 HG SER A 8 -2.695 17.765 -7.874 1.00 0.00 H new ATOM 122 N LEU A 9 -2.494 15.872 -12.106 1.00 0.00 N ATOM 123 CA LEU A 9 -3.440 16.085 -13.193 1.00 0.00 C ATOM 124 C LEU A 9 -4.870 16.229 -12.691 1.00 0.00 C ATOM 125 O LEU A 9 -5.311 15.508 -11.796 1.00 0.00 O ATOM 126 CB LEU A 9 -3.357 14.941 -14.205 1.00 0.00 C ATOM 127 CG LEU A 9 -2.919 15.354 -15.611 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.196 14.236 -16.605 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.612 16.637 -16.039 1.00 0.00 C ATOM 0 H LEU A 9 -2.309 14.892 -11.890 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.164 17.021 -13.678 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.660 14.192 -13.829 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.334 14.462 -14.271 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.845 15.541 -15.593 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.878 14.547 -17.600 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.645 13.343 -16.311 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.264 14.016 -16.617 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.284 16.910 -17.042 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.691 16.485 -16.039 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.358 17.437 -15.344 1.00 0.00 H new ATOM 141 N ASN A 10 -5.589 17.163 -13.300 1.00 0.00 N ATOM 142 CA ASN A 10 -6.984 17.421 -12.953 1.00 0.00 C ATOM 143 C ASN A 10 -7.686 18.168 -14.086 1.00 0.00 C ATOM 144 O ASN A 10 -7.162 19.155 -14.602 1.00 0.00 O ATOM 145 CB ASN A 10 -7.080 18.216 -11.644 1.00 0.00 C ATOM 146 CG ASN A 10 -6.730 19.683 -11.813 1.00 0.00 C ATOM 147 OD1 ASN A 10 -7.500 20.457 -12.381 1.00 0.00 O ATOM 148 ND2 ASN A 10 -5.564 20.073 -11.313 1.00 0.00 N ATOM 0 H ASN A 10 -5.227 17.760 -14.043 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.484 16.463 -12.808 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.092 18.133 -11.249 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.412 17.772 -10.906 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.276 21.048 -11.392 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.956 19.397 -10.850 1.00 0.00 H new ATOM 155 N VAL A 11 -8.865 17.692 -14.476 1.00 0.00 N ATOM 156 CA VAL A 11 -9.613 18.325 -15.554 1.00 0.00 C ATOM 157 C VAL A 11 -10.704 19.248 -15.022 1.00 0.00 C ATOM 158 O VAL A 11 -11.433 18.900 -14.094 1.00 0.00 O ATOM 159 CB VAL A 11 -10.233 17.281 -16.509 1.00 0.00 C ATOM 160 CG1 VAL A 11 -9.181 16.270 -16.935 1.00 0.00 C ATOM 161 CG2 VAL A 11 -11.423 16.578 -15.874 1.00 0.00 C ATOM 0 H VAL A 11 -9.319 16.877 -14.065 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.896 18.925 -16.114 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.596 17.808 -17.391 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.630 15.539 -17.608 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.369 16.785 -17.448 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.789 15.760 -16.055 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.833 15.851 -16.575 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.102 16.066 -14.967 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.189 17.313 -15.624 1.00 0.00 H new ATOM 171 N THR A 12 -10.810 20.427 -15.627 1.00 0.00 N ATOM 172 CA THR A 12 -11.811 21.410 -15.233 1.00 0.00 C ATOM 173 C THR A 12 -12.515 21.972 -16.452 1.00 0.00 C ATOM 174 O THR A 12 -11.891 22.541 -17.348 1.00 0.00 O ATOM 175 CB THR A 12 -11.171 22.540 -14.425 1.00 0.00 C ATOM 176 OG1 THR A 12 -10.616 23.521 -15.284 1.00 0.00 O ATOM 177 CG2 THR A 12 -10.072 22.069 -13.495 1.00 0.00 C ATOM 0 H THR A 12 -10.211 20.725 -16.397 1.00 0.00 H new ATOM 0 HA THR A 12 -12.548 20.910 -14.605 1.00 0.00 H new ATOM 0 HB THR A 12 -11.980 22.954 -13.823 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.689 23.221 -16.214 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.663 22.922 -12.954 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.480 21.350 -12.784 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.281 21.595 -14.077 1.00 0.00 H new ATOM 185 N LYS A 13 -13.824 21.801 -16.470 1.00 0.00 N ATOM 186 CA LYS A 13 -14.646 22.278 -17.571 1.00 0.00 C ATOM 187 C LYS A 13 -15.024 23.746 -17.356 1.00 0.00 C ATOM 188 O LYS A 13 -15.319 24.165 -16.236 1.00 0.00 O ATOM 189 CB LYS A 13 -15.887 21.374 -17.716 1.00 0.00 C ATOM 190 CG LYS A 13 -17.169 22.090 -18.113 1.00 0.00 C ATOM 191 CD LYS A 13 -18.302 21.111 -18.369 1.00 0.00 C ATOM 192 CE LYS A 13 -19.629 21.648 -17.859 1.00 0.00 C ATOM 193 NZ LYS A 13 -20.701 20.614 -17.899 1.00 0.00 N ATOM 0 H LYS A 13 -14.346 21.332 -15.729 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.082 22.226 -18.502 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.673 20.607 -18.461 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.055 20.861 -16.769 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.458 22.783 -17.323 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.992 22.684 -19.009 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.376 20.910 -19.438 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.081 20.162 -17.881 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.507 22.005 -16.836 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.929 22.505 -18.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.625 21.065 -17.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.699 20.148 -18.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.529 19.907 -17.156 1.00 0.00 H new ATOM 207 N ASP A 14 -15.003 24.521 -18.435 1.00 0.00 N ATOM 208 CA ASP A 14 -15.332 25.940 -18.368 1.00 0.00 C ATOM 209 C ASP A 14 -16.722 26.215 -18.937 1.00 0.00 C ATOM 210 O ASP A 14 -16.889 27.076 -19.799 1.00 0.00 O ATOM 211 CB ASP A 14 -14.287 26.757 -19.130 1.00 0.00 C ATOM 212 CG ASP A 14 -13.794 27.951 -18.337 1.00 0.00 C ATOM 213 OD1 ASP A 14 -13.127 27.742 -17.302 1.00 0.00 O ATOM 214 OD2 ASP A 14 -14.074 29.096 -18.751 1.00 0.00 O ATOM 0 H ASP A 14 -14.761 24.189 -19.369 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.330 26.236 -17.319 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.441 26.117 -19.380 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.715 27.102 -20.071 1.00 0.00 H new ATOM 219 N GLY A 15 -17.714 25.478 -18.449 1.00 0.00 N ATOM 220 CA GLY A 15 -19.073 25.662 -18.922 1.00 0.00 C ATOM 221 C GLY A 15 -19.443 24.697 -20.033 1.00 0.00 C ATOM 222 O GLY A 15 -20.606 24.614 -20.427 1.00 0.00 O ATOM 0 H GLY A 15 -17.601 24.758 -17.736 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.764 25.532 -18.089 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.193 26.685 -19.280 1.00 0.00 H new ATOM 226 N ASP A 16 -18.454 23.968 -20.536 1.00 0.00 N ATOM 227 CA ASP A 16 -18.680 23.004 -21.605 1.00 0.00 C ATOM 228 C ASP A 16 -17.383 22.291 -21.972 1.00 0.00 C ATOM 229 O ASP A 16 -17.249 21.084 -21.774 1.00 0.00 O ATOM 230 CB ASP A 16 -19.258 23.701 -22.836 1.00 0.00 C ATOM 231 CG ASP A 16 -19.858 22.722 -23.826 1.00 0.00 C ATOM 232 OD1 ASP A 16 -19.097 22.163 -24.645 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.090 22.516 -23.785 1.00 0.00 O ATOM 0 H ASP A 16 -17.486 24.027 -20.220 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.395 22.263 -21.249 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.023 24.411 -22.522 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.473 24.275 -23.327 1.00 0.00 H new ATOM 238 N SER A 17 -16.429 23.048 -22.502 1.00 0.00 N ATOM 239 CA SER A 17 -15.140 22.489 -22.890 1.00 0.00 C ATOM 240 C SER A 17 -14.373 22.004 -21.665 1.00 0.00 C ATOM 241 O SER A 17 -14.510 22.561 -20.577 1.00 0.00 O ATOM 242 CB SER A 17 -14.313 23.530 -23.646 1.00 0.00 C ATOM 243 OG SER A 17 -14.299 23.260 -25.037 1.00 0.00 O ATOM 0 H SER A 17 -16.524 24.049 -22.673 1.00 0.00 H new ATOM 0 HA SER A 17 -15.322 21.638 -23.546 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.725 24.524 -23.470 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.292 23.535 -23.263 1.00 0.00 H new ATOM 0 HG SER A 17 -13.765 23.941 -25.497 1.00 0.00 H new ATOM 249 N TYR A 18 -13.572 20.961 -21.848 1.00 0.00 N ATOM 250 CA TYR A 18 -12.790 20.402 -20.752 1.00 0.00 C ATOM 251 C TYR A 18 -11.299 20.662 -20.952 1.00 0.00 C ATOM 252 O TYR A 18 -10.824 20.771 -22.083 1.00 0.00 O ATOM 253 CB TYR A 18 -13.053 18.900 -20.632 1.00 0.00 C ATOM 254 CG TYR A 18 -14.415 18.567 -20.062 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.569 19.122 -20.601 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.546 17.701 -18.983 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.814 18.825 -20.083 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.789 17.398 -18.458 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.919 17.962 -19.011 1.00 0.00 C ATOM 260 OH TYR A 18 -18.158 17.664 -18.492 1.00 0.00 O ATOM 0 H TYR A 18 -13.447 20.486 -22.742 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.098 20.893 -19.829 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.959 18.443 -21.617 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.285 18.454 -20.000 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.491 19.798 -21.440 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.663 17.257 -18.547 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.701 19.266 -20.514 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.874 16.723 -17.619 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.844 17.819 -19.174 1.00 0.00 H new ATOM 270 N SER A 19 -10.569 20.765 -19.846 1.00 0.00 N ATOM 271 CA SER A 19 -9.132 21.017 -19.895 1.00 0.00 C ATOM 272 C SER A 19 -8.445 20.480 -18.645 1.00 0.00 C ATOM 273 O SER A 19 -8.991 20.559 -17.546 1.00 0.00 O ATOM 274 CB SER A 19 -8.865 22.517 -20.033 1.00 0.00 C ATOM 275 OG SER A 19 -10.078 23.247 -20.107 1.00 0.00 O ATOM 0 H SER A 19 -10.949 20.678 -18.903 1.00 0.00 H new ATOM 0 HA SER A 19 -8.724 20.499 -20.763 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.279 22.865 -19.182 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.270 22.703 -20.927 1.00 0.00 H new ATOM 0 HG SER A 19 -9.880 24.203 -20.193 1.00 0.00 H new ATOM 281 N LEU A 20 -7.244 19.933 -18.817 1.00 0.00 N ATOM 282 CA LEU A 20 -6.488 19.384 -17.694 1.00 0.00 C ATOM 283 C LEU A 20 -5.563 20.437 -17.098 1.00 0.00 C ATOM 284 O LEU A 20 -5.194 21.404 -17.763 1.00 0.00 O ATOM 285 CB LEU A 20 -5.672 18.149 -18.113 1.00 0.00 C ATOM 286 CG LEU A 20 -5.824 17.709 -19.572 1.00 0.00 C ATOM 287 CD1 LEU A 20 -4.932 16.510 -19.858 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.277 17.380 -19.884 1.00 0.00 C ATOM 0 H LEU A 20 -6.775 19.858 -19.720 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.210 19.076 -16.938 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.618 18.353 -17.923 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.956 17.315 -17.471 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.515 18.533 -20.215 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.051 16.208 -20.899 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.892 16.778 -19.674 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.214 15.683 -19.206 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.364 17.070 -20.925 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.615 16.572 -19.235 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.894 18.263 -19.716 1.00 0.00 H new ATOM 300 N ARG A 21 -5.193 20.239 -15.838 1.00 0.00 N ATOM 301 CA ARG A 21 -4.310 21.167 -15.146 1.00 0.00 C ATOM 302 C ARG A 21 -3.258 20.412 -14.347 1.00 0.00 C ATOM 303 O ARG A 21 -3.552 19.828 -13.304 1.00 0.00 O ATOM 304 CB ARG A 21 -5.115 22.077 -14.222 1.00 0.00 C ATOM 305 CG ARG A 21 -4.528 23.470 -14.076 1.00 0.00 C ATOM 306 CD ARG A 21 -5.597 24.540 -14.216 1.00 0.00 C ATOM 307 NE ARG A 21 -5.055 25.790 -14.740 1.00 0.00 N ATOM 308 CZ ARG A 21 -5.805 26.837 -15.066 1.00 0.00 C ATOM 309 NH1 ARG A 21 -7.123 26.781 -14.923 1.00 0.00 N ATOM 310 NH2 ARG A 21 -5.240 27.940 -15.535 1.00 0.00 N ATOM 0 H ARG A 21 -5.492 19.443 -15.275 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.805 21.780 -15.893 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.133 22.159 -14.604 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.180 21.614 -13.237 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.044 23.562 -13.104 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.757 23.623 -14.832 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.385 24.181 -14.878 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.056 24.723 -13.244 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.045 25.864 -14.863 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.561 25.933 -14.562 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.698 27.585 -15.174 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.227 27.986 -15.646 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.818 28.743 -15.785 1.00 0.00 H new ATOM 324 N TRP A 22 -2.034 20.425 -14.850 1.00 0.00 N ATOM 325 CA TRP A 22 -0.931 19.738 -14.193 1.00 0.00 C ATOM 326 C TRP A 22 0.246 20.681 -13.961 1.00 0.00 C ATOM 327 O TRP A 22 0.748 21.305 -14.896 1.00 0.00 O ATOM 328 CB TRP A 22 -0.488 18.537 -15.030 1.00 0.00 C ATOM 329 CG TRP A 22 -0.038 18.901 -16.411 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.241 19.137 -16.805 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.855 19.066 -17.580 1.00 0.00 C ATOM 332 NE1 TRP A 22 1.281 19.442 -18.143 1.00 0.00 N ATOM 333 CE2 TRP A 22 0.007 19.403 -18.642 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.226 18.962 -17.836 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.460 19.635 -19.934 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.681 19.193 -19.121 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.802 19.524 -20.150 1.00 0.00 C ATOM 0 H TRP A 22 -1.778 20.905 -15.713 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.279 19.388 -13.221 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.325 18.026 -14.515 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.314 17.830 -15.101 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.104 19.091 -16.157 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.122 19.662 -18.677 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.916 18.706 -17.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.216 19.893 -20.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.738 19.115 -19.331 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.193 19.697 -21.142 1.00 0.00 H new ATOM 348 N GLU A 23 0.681 20.781 -12.707 1.00 0.00 N ATOM 349 CA GLU A 23 1.800 21.650 -12.350 1.00 0.00 C ATOM 350 C GLU A 23 2.986 20.838 -11.839 1.00 0.00 C ATOM 351 O GLU A 23 2.826 19.937 -11.015 1.00 0.00 O ATOM 352 CB GLU A 23 1.368 22.664 -11.288 1.00 0.00 C ATOM 353 CG GLU A 23 0.696 23.901 -11.863 1.00 0.00 C ATOM 354 CD GLU A 23 0.311 24.906 -10.795 1.00 0.00 C ATOM 355 OE1 GLU A 23 0.804 24.777 -9.655 1.00 0.00 O ATOM 356 OE2 GLU A 23 -0.480 25.824 -11.100 1.00 0.00 O ATOM 0 H GLU A 23 0.276 20.272 -11.922 1.00 0.00 H new ATOM 0 HA GLU A 23 2.110 22.182 -13.249 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.683 22.179 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.242 22.970 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.368 24.376 -12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.196 23.602 -12.414 1.00 0.00 H new ATOM 363 N THR A 24 4.176 21.165 -12.333 1.00 0.00 N ATOM 364 CA THR A 24 5.393 20.469 -11.931 1.00 0.00 C ATOM 365 C THR A 24 6.108 21.217 -10.811 1.00 0.00 C ATOM 366 O THR A 24 5.996 22.436 -10.693 1.00 0.00 O ATOM 367 CB THR A 24 6.338 20.319 -13.124 1.00 0.00 C ATOM 368 OG1 THR A 24 6.215 21.426 -14.002 1.00 0.00 O ATOM 369 CG2 THR A 24 6.095 19.064 -13.932 1.00 0.00 C ATOM 0 H THR A 24 4.323 21.910 -13.014 1.00 0.00 H new ATOM 0 HA THR A 24 5.107 19.482 -11.567 1.00 0.00 H new ATOM 0 HB THR A 24 7.338 20.263 -12.693 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.828 21.313 -14.759 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.801 19.023 -14.762 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.232 18.190 -13.296 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.077 19.074 -14.322 1.00 0.00 H new ATOM 377 N MET A 25 6.853 20.474 -9.997 1.00 0.00 N ATOM 378 CA MET A 25 7.600 21.060 -8.889 1.00 0.00 C ATOM 379 C MET A 25 8.507 20.018 -8.244 1.00 0.00 C ATOM 380 O MET A 25 8.748 20.047 -7.037 1.00 0.00 O ATOM 381 CB MET A 25 6.649 21.641 -7.843 1.00 0.00 C ATOM 382 CG MET A 25 6.589 23.161 -7.847 1.00 0.00 C ATOM 383 SD MET A 25 5.193 23.805 -6.903 1.00 0.00 S ATOM 384 CE MET A 25 3.818 23.226 -7.891 1.00 0.00 C ATOM 0 H MET A 25 6.955 19.463 -10.085 1.00 0.00 H new ATOM 0 HA MET A 25 8.217 21.866 -9.287 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.648 21.246 -8.016 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.959 21.301 -6.855 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.516 23.558 -7.434 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.521 23.515 -8.876 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.950 23.861 -7.715 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.087 23.264 -8.947 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.578 22.199 -7.614 1.00 0.00 H new ATOM 394 N LYS A 26 9.008 19.096 -9.061 1.00 0.00 N ATOM 395 CA LYS A 26 9.890 18.043 -8.579 1.00 0.00 C ATOM 396 C LYS A 26 11.315 18.256 -9.086 1.00 0.00 C ATOM 397 O LYS A 26 12.141 17.344 -9.043 1.00 0.00 O ATOM 398 CB LYS A 26 9.370 16.677 -9.030 1.00 0.00 C ATOM 399 CG LYS A 26 8.452 16.004 -8.019 1.00 0.00 C ATOM 400 CD LYS A 26 7.248 16.868 -7.681 1.00 0.00 C ATOM 401 CE LYS A 26 5.953 16.244 -8.178 1.00 0.00 C ATOM 402 NZ LYS A 26 5.041 15.887 -7.056 1.00 0.00 N ATOM 0 H LYS A 26 8.816 19.059 -10.062 1.00 0.00 H new ATOM 0 HA LYS A 26 9.905 18.077 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.833 16.796 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.219 16.023 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.112 15.048 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.011 15.789 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.193 17.010 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.371 17.855 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.449 16.940 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.180 15.350 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.170 15.465 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.512 15.203 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.803 16.743 -6.516 1.00 0.00 H new ATOM 416 N MET A 27 11.597 19.467 -9.566 1.00 0.00 N ATOM 417 CA MET A 27 12.920 19.803 -10.082 1.00 0.00 C ATOM 418 C MET A 27 13.221 21.277 -9.839 1.00 0.00 C ATOM 419 O MET A 27 14.285 21.632 -9.333 1.00 0.00 O ATOM 420 CB MET A 27 13.029 19.492 -11.585 1.00 0.00 C ATOM 421 CG MET A 27 11.794 18.835 -12.191 1.00 0.00 C ATOM 422 SD MET A 27 10.401 19.972 -12.340 1.00 0.00 S ATOM 423 CE MET A 27 9.372 19.098 -13.517 1.00 0.00 C ATOM 0 H MET A 27 10.924 20.232 -9.607 1.00 0.00 H new ATOM 0 HA MET A 27 13.650 19.191 -9.552 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.230 20.420 -12.120 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.887 18.839 -11.746 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.044 18.442 -13.177 1.00 0.00 H new ATOM 0 HG3 MET A 27 11.500 17.986 -11.574 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.923 19.811 -14.208 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.981 18.386 -14.075 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.585 18.564 -12.985 1.00 0.00 H new ATOM 433 N ARG A 28 12.267 22.131 -10.201 1.00 0.00 N ATOM 434 CA ARG A 28 12.416 23.570 -10.024 1.00 0.00 C ATOM 435 C ARG A 28 13.655 24.093 -10.747 1.00 0.00 C ATOM 436 O ARG A 28 14.176 25.157 -10.413 1.00 0.00 O ATOM 437 CB ARG A 28 12.501 23.913 -8.535 1.00 0.00 C ATOM 438 CG ARG A 28 11.460 23.203 -7.682 1.00 0.00 C ATOM 439 CD ARG A 28 11.283 23.889 -6.338 1.00 0.00 C ATOM 440 NE ARG A 28 12.279 23.447 -5.363 1.00 0.00 N ATOM 441 CZ ARG A 28 12.659 24.168 -4.312 1.00 0.00 C ATOM 442 NH1 ARG A 28 12.120 25.360 -4.088 1.00 0.00 N ATOM 443 NH2 ARG A 28 13.576 23.696 -3.479 1.00 0.00 N ATOM 0 H ARG A 28 11.381 21.849 -10.620 1.00 0.00 H new ATOM 0 HA ARG A 28 11.540 24.052 -10.457 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.495 23.656 -8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.385 24.990 -8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.507 23.183 -8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.760 22.167 -7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.358 24.968 -6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.284 23.683 -5.954 1.00 0.00 H new ATOM 0 HE ARG A 28 12.708 22.531 -5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.411 25.727 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.415 25.909 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.991 22.779 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.867 24.250 -2.673 1.00 0.00 H new ATOM 457 N TYR A 29 14.120 23.344 -11.742 1.00 0.00 N ATOM 458 CA TYR A 29 15.294 23.742 -12.511 1.00 0.00 C ATOM 459 C TYR A 29 15.028 25.043 -13.264 1.00 0.00 C ATOM 460 O TYR A 29 13.996 25.683 -13.066 1.00 0.00 O ATOM 461 CB TYR A 29 15.685 22.637 -13.495 1.00 0.00 C ATOM 462 CG TYR A 29 16.939 21.889 -13.107 1.00 0.00 C ATOM 463 CD1 TYR A 29 18.179 22.515 -13.129 1.00 0.00 C ATOM 464 CD2 TYR A 29 16.884 20.556 -12.722 1.00 0.00 C ATOM 465 CE1 TYR A 29 19.328 21.833 -12.778 1.00 0.00 C ATOM 466 CE2 TYR A 29 18.030 19.867 -12.370 1.00 0.00 C ATOM 467 CZ TYR A 29 19.249 20.511 -12.399 1.00 0.00 C ATOM 468 OH TYR A 29 20.391 19.828 -12.050 1.00 0.00 O ATOM 0 H TYR A 29 13.703 22.460 -12.034 1.00 0.00 H new ATOM 0 HA TYR A 29 16.119 23.905 -11.817 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.861 21.928 -13.576 1.00 0.00 H new ATOM 0 HB3 TYR A 29 15.826 23.076 -14.482 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.246 23.551 -13.425 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.931 20.049 -12.697 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.284 22.334 -12.801 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.971 18.830 -12.074 1.00 0.00 H new ATOM 0 HH TYR A 29 20.160 18.907 -11.808 1.00 0.00 H new ATOM 478 N GLU A 30 15.964 25.429 -14.124 1.00 0.00 N ATOM 479 CA GLU A 30 15.825 26.655 -14.902 1.00 0.00 C ATOM 480 C GLU A 30 15.032 26.405 -16.181 1.00 0.00 C ATOM 481 O GLU A 30 14.324 25.405 -16.299 1.00 0.00 O ATOM 482 CB GLU A 30 17.200 27.227 -15.245 1.00 0.00 C ATOM 483 CG GLU A 30 17.313 28.724 -15.003 1.00 0.00 C ATOM 484 CD GLU A 30 18.020 29.054 -13.704 1.00 0.00 C ATOM 485 OE1 GLU A 30 18.494 28.116 -13.030 1.00 0.00 O ATOM 486 OE2 GLU A 30 18.099 30.252 -13.360 1.00 0.00 O ATOM 0 H GLU A 30 16.826 24.912 -14.300 1.00 0.00 H new ATOM 0 HA GLU A 30 15.280 27.378 -14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.956 26.713 -14.652 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.420 27.019 -16.292 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.852 29.182 -15.832 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.315 29.162 -14.990 1.00 0.00 H new ATOM 493 N HIS A 31 15.156 27.321 -17.137 1.00 0.00 N ATOM 494 CA HIS A 31 14.451 27.202 -18.408 1.00 0.00 C ATOM 495 C HIS A 31 14.859 25.928 -19.139 1.00 0.00 C ATOM 496 O HIS A 31 15.733 25.949 -20.005 1.00 0.00 O ATOM 497 CB HIS A 31 14.730 28.420 -19.290 1.00 0.00 C ATOM 498 CG HIS A 31 14.296 29.714 -18.674 1.00 0.00 C ATOM 499 ND1 HIS A 31 14.143 30.878 -19.396 1.00 0.00 N ATOM 500 CD2 HIS A 31 13.980 30.024 -17.394 1.00 0.00 C ATOM 501 CE1 HIS A 31 13.753 31.848 -18.589 1.00 0.00 C ATOM 502 NE2 HIS A 31 13.646 31.355 -17.368 1.00 0.00 N ATOM 0 H HIS A 31 15.739 28.154 -17.055 1.00 0.00 H new ATOM 0 HA HIS A 31 13.383 27.154 -18.197 1.00 0.00 H new ATOM 0 HB2 HIS A 31 15.798 28.468 -19.503 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.220 28.292 -20.245 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.989 29.349 -16.551 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.555 32.870 -18.878 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.361 31.879 -16.540 1.00 0.00 H new ATOM 511 N ILE A 32 14.220 24.820 -18.782 1.00 0.00 N ATOM 512 CA ILE A 32 14.514 23.534 -19.401 1.00 0.00 C ATOM 513 C ILE A 32 13.587 23.278 -20.592 1.00 0.00 C ATOM 514 O ILE A 32 13.950 23.538 -21.740 1.00 0.00 O ATOM 515 CB ILE A 32 14.379 22.381 -18.377 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.404 22.535 -17.255 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.542 21.022 -19.046 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.296 21.454 -16.204 1.00 0.00 C ATOM 0 H ILE A 32 13.494 24.787 -18.066 1.00 0.00 H new ATOM 0 HA ILE A 32 15.544 23.568 -19.756 1.00 0.00 H new ATOM 0 HB ILE A 32 13.376 22.435 -17.953 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.407 22.520 -17.682 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.273 23.508 -16.782 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.442 20.234 -18.299 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.774 20.898 -19.810 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.527 20.960 -19.509 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.050 21.618 -15.434 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.304 21.483 -15.752 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.455 20.480 -16.666 1.00 0.00 H new ATOM 530 N ASP A 33 12.394 22.761 -20.309 1.00 0.00 N ATOM 531 CA ASP A 33 11.409 22.456 -21.344 1.00 0.00 C ATOM 532 C ASP A 33 10.325 21.544 -20.778 1.00 0.00 C ATOM 533 O ASP A 33 9.137 21.858 -20.837 1.00 0.00 O ATOM 534 CB ASP A 33 12.076 21.784 -22.549 1.00 0.00 C ATOM 535 CG ASP A 33 12.122 22.688 -23.766 1.00 0.00 C ATOM 536 OD1 ASP A 33 11.053 22.935 -24.363 1.00 0.00 O ATOM 537 OD2 ASP A 33 13.227 23.149 -24.122 1.00 0.00 O ATOM 0 H ASP A 33 12.084 22.543 -19.362 1.00 0.00 H new ATOM 0 HA ASP A 33 10.958 23.391 -21.675 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.091 21.489 -22.281 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.534 20.872 -22.798 1.00 0.00 H new ATOM 542 N HIS A 34 10.757 20.414 -20.220 1.00 0.00 N ATOM 543 CA HIS A 34 9.848 19.436 -19.621 1.00 0.00 C ATOM 544 C HIS A 34 8.557 19.283 -20.426 1.00 0.00 C ATOM 545 O HIS A 34 7.517 19.822 -20.046 1.00 0.00 O ATOM 546 CB HIS A 34 9.489 19.851 -18.188 1.00 0.00 C ATOM 547 CG HIS A 34 10.575 19.622 -17.182 1.00 0.00 C ATOM 548 ND1 HIS A 34 11.428 20.617 -16.755 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.928 18.510 -16.492 1.00 0.00 C ATOM 550 CE1 HIS A 34 12.255 20.127 -15.848 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.972 18.852 -15.673 1.00 0.00 N ATOM 0 H HIS A 34 11.741 20.151 -20.170 1.00 0.00 H new ATOM 0 HA HIS A 34 10.370 18.479 -19.619 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.226 20.909 -18.185 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.601 19.301 -17.876 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.422 21.581 -17.087 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.471 17.535 -16.573 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.031 20.678 -15.337 1.00 0.00 H new ATOM 560 N THR A 35 8.615 18.539 -21.526 1.00 0.00 N ATOM 561 CA THR A 35 7.427 18.323 -22.347 1.00 0.00 C ATOM 562 C THR A 35 6.439 17.434 -21.602 1.00 0.00 C ATOM 563 O THR A 35 6.807 16.760 -20.640 1.00 0.00 O ATOM 564 CB THR A 35 7.800 17.690 -23.689 1.00 0.00 C ATOM 565 OG1 THR A 35 8.676 18.532 -24.418 1.00 0.00 O ATOM 566 CG2 THR A 35 6.600 17.407 -24.568 1.00 0.00 C ATOM 0 H THR A 35 9.460 18.080 -21.867 1.00 0.00 H new ATOM 0 HA THR A 35 6.962 19.289 -22.545 1.00 0.00 H new ATOM 0 HB THR A 35 8.281 16.745 -23.438 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.206 18.897 -25.197 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.932 16.959 -25.504 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.927 16.719 -24.055 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.075 18.339 -24.778 1.00 0.00 H new ATOM 574 N PHE A 36 5.183 17.436 -22.036 1.00 0.00 N ATOM 575 CA PHE A 36 4.163 16.626 -21.382 1.00 0.00 C ATOM 576 C PHE A 36 3.325 15.848 -22.390 1.00 0.00 C ATOM 577 O PHE A 36 2.650 16.433 -23.237 1.00 0.00 O ATOM 578 CB PHE A 36 3.253 17.509 -20.527 1.00 0.00 C ATOM 579 CG PHE A 36 3.992 18.335 -19.514 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.342 17.799 -18.285 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.333 19.648 -19.789 1.00 0.00 C ATOM 582 CE1 PHE A 36 5.019 18.557 -17.350 1.00 0.00 C ATOM 583 CE2 PHE A 36 5.011 20.412 -18.858 1.00 0.00 C ATOM 584 CZ PHE A 36 5.354 19.867 -17.637 1.00 0.00 C ATOM 0 H PHE A 36 4.850 17.983 -22.829 1.00 0.00 H new ATOM 0 HA PHE A 36 4.677 15.906 -20.745 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.687 18.173 -21.181 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.530 16.878 -20.010 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.082 16.776 -18.056 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.066 20.080 -20.742 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.286 18.127 -16.396 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.272 21.435 -19.086 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.883 20.463 -16.908 1.00 0.00 H new ATOM 594 N GLU A 37 3.359 14.522 -22.279 1.00 0.00 N ATOM 595 CA GLU A 37 2.587 13.660 -23.166 1.00 0.00 C ATOM 596 C GLU A 37 1.184 13.461 -22.609 1.00 0.00 C ATOM 597 O GLU A 37 0.959 12.595 -21.764 1.00 0.00 O ATOM 598 CB GLU A 37 3.278 12.304 -23.333 1.00 0.00 C ATOM 599 CG GLU A 37 3.794 12.054 -24.740 1.00 0.00 C ATOM 600 CD GLU A 37 4.980 11.110 -24.767 1.00 0.00 C ATOM 601 OE1 GLU A 37 5.188 10.389 -23.768 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.702 11.091 -25.786 1.00 0.00 O ATOM 0 H GLU A 37 3.913 14.023 -21.583 1.00 0.00 H new ATOM 0 HA GLU A 37 2.520 14.140 -24.142 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.111 12.241 -22.633 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.577 11.513 -23.066 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.991 11.640 -25.349 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.080 13.004 -25.192 1.00 0.00 H new ATOM 609 N ILE A 38 0.245 14.275 -23.081 1.00 0.00 N ATOM 610 CA ILE A 38 -1.136 14.198 -22.625 1.00 0.00 C ATOM 611 C ILE A 38 -1.913 13.140 -23.404 1.00 0.00 C ATOM 612 O ILE A 38 -1.813 13.048 -24.627 1.00 0.00 O ATOM 613 CB ILE A 38 -1.841 15.571 -22.750 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.228 16.567 -21.763 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.342 15.449 -22.509 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.298 17.567 -22.409 1.00 0.00 C ATOM 0 H ILE A 38 0.417 14.997 -23.781 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.117 13.911 -21.574 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.693 15.934 -23.767 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.030 17.104 -21.257 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.681 16.017 -20.998 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.807 16.430 -22.604 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.774 14.770 -23.244 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.519 15.059 -21.507 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.098 18.240 -21.648 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.525 17.040 -22.891 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.845 18.144 -23.154 1.00 0.00 H new ATOM 628 N GLN A 39 -2.692 12.351 -22.676 1.00 0.00 N ATOM 629 CA GLN A 39 -3.501 11.298 -23.274 1.00 0.00 C ATOM 630 C GLN A 39 -4.884 11.275 -22.633 1.00 0.00 C ATOM 631 O GLN A 39 -5.013 11.428 -21.420 1.00 0.00 O ATOM 632 CB GLN A 39 -2.817 9.941 -23.094 1.00 0.00 C ATOM 633 CG GLN A 39 -3.223 8.907 -24.131 1.00 0.00 C ATOM 634 CD GLN A 39 -2.539 9.119 -25.466 1.00 0.00 C ATOM 635 OE1 GLN A 39 -3.146 9.611 -26.417 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.266 8.746 -25.543 1.00 0.00 N ATOM 0 H GLN A 39 -2.781 12.422 -21.662 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.608 11.499 -24.340 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.737 10.081 -23.137 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.049 9.556 -22.101 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.983 7.911 -23.758 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.303 8.943 -24.271 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.803 8.342 -24.729 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.752 8.863 -26.416 1.00 0.00 H new ATOM 645 N TYR A 40 -5.917 11.089 -23.450 1.00 0.00 N ATOM 646 CA TYR A 40 -7.284 11.055 -22.942 1.00 0.00 C ATOM 647 C TYR A 40 -8.114 9.997 -23.659 1.00 0.00 C ATOM 648 O TYR A 40 -8.469 10.155 -24.828 1.00 0.00 O ATOM 649 CB TYR A 40 -7.945 12.427 -23.092 1.00 0.00 C ATOM 650 CG TYR A 40 -8.060 12.893 -24.525 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.927 13.166 -25.283 1.00 0.00 C ATOM 652 CD2 TYR A 40 -9.303 13.056 -25.121 1.00 0.00 C ATOM 653 CE1 TYR A 40 -7.032 13.591 -26.594 1.00 0.00 C ATOM 654 CE2 TYR A 40 -9.416 13.480 -26.431 1.00 0.00 C ATOM 655 CZ TYR A 40 -8.278 13.746 -27.163 1.00 0.00 C ATOM 656 OH TYR A 40 -8.388 14.166 -28.468 1.00 0.00 O ATOM 0 H TYR A 40 -5.835 10.961 -24.459 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.238 10.795 -21.885 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.941 12.391 -22.650 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.371 13.161 -22.526 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.949 13.044 -24.840 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.197 12.848 -24.551 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.143 13.801 -27.170 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.391 13.603 -26.880 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.335 14.222 -28.715 1.00 0.00 H new ATOM 666 N ARG A 41 -8.433 8.924 -22.943 1.00 0.00 N ATOM 667 CA ARG A 41 -9.233 7.842 -23.496 1.00 0.00 C ATOM 668 C ARG A 41 -10.634 7.879 -22.900 1.00 0.00 C ATOM 669 O ARG A 41 -11.063 8.909 -22.381 1.00 0.00 O ATOM 670 CB ARG A 41 -8.570 6.489 -23.223 1.00 0.00 C ATOM 671 CG ARG A 41 -8.666 6.042 -21.775 1.00 0.00 C ATOM 672 CD ARG A 41 -9.495 4.778 -21.634 1.00 0.00 C ATOM 673 NE ARG A 41 -8.693 3.645 -21.182 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.174 2.414 -21.045 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.447 2.164 -21.321 1.00 0.00 N ATOM 676 NH2 ARG A 41 -8.384 1.433 -20.629 1.00 0.00 N ATOM 0 H ARG A 41 -8.147 8.782 -21.974 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.305 7.973 -24.576 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.032 5.733 -23.858 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.519 6.546 -23.507 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.665 5.867 -21.380 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.110 6.838 -21.177 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.306 4.953 -20.927 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.955 4.537 -22.593 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.711 3.807 -20.959 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.057 2.917 -21.639 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.816 1.219 -21.216 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.405 1.623 -20.414 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.755 0.489 -20.524 1.00 0.00 H new ATOM 690 N LYS A 42 -11.351 6.766 -22.979 1.00 0.00 N ATOM 691 CA LYS A 42 -12.705 6.713 -22.444 1.00 0.00 C ATOM 692 C LYS A 42 -13.001 5.378 -21.775 1.00 0.00 C ATOM 693 O LYS A 42 -12.446 4.343 -22.147 1.00 0.00 O ATOM 694 CB LYS A 42 -13.716 6.972 -23.559 1.00 0.00 C ATOM 695 CG LYS A 42 -13.370 8.177 -24.413 1.00 0.00 C ATOM 696 CD LYS A 42 -12.795 7.754 -25.756 1.00 0.00 C ATOM 697 CE LYS A 42 -12.744 8.914 -26.735 1.00 0.00 C ATOM 698 NZ LYS A 42 -12.163 8.508 -28.045 1.00 0.00 N ATOM 0 H LYS A 42 -11.023 5.898 -23.403 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.789 7.489 -21.683 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.778 6.090 -24.196 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.703 7.118 -23.119 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.263 8.782 -24.571 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.649 8.804 -23.887 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.791 7.354 -25.613 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.401 6.951 -26.175 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.750 9.304 -26.889 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.150 9.723 -26.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.145 9.327 -28.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.194 8.159 -27.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.744 7.754 -28.464 1.00 0.00 H new ATOM 712 N ASP A 43 -13.889 5.416 -20.788 1.00 0.00 N ATOM 713 CA ASP A 43 -14.284 4.220 -20.057 1.00 0.00 C ATOM 714 C ASP A 43 -14.785 3.141 -21.016 1.00 0.00 C ATOM 715 O ASP A 43 -14.758 1.952 -20.696 1.00 0.00 O ATOM 716 CB ASP A 43 -15.370 4.575 -19.034 1.00 0.00 C ATOM 717 CG ASP A 43 -16.011 3.353 -18.401 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.379 2.743 -17.515 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.146 3.010 -18.792 1.00 0.00 O ATOM 0 H ASP A 43 -14.351 6.269 -20.475 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.414 3.826 -19.531 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.935 5.197 -18.251 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.141 5.171 -19.523 1.00 0.00 H new ATOM 724 N THR A 44 -15.239 3.564 -22.193 1.00 0.00 N ATOM 725 CA THR A 44 -15.742 2.634 -23.198 1.00 0.00 C ATOM 726 C THR A 44 -14.650 2.280 -24.201 1.00 0.00 C ATOM 727 O THR A 44 -14.456 1.114 -24.540 1.00 0.00 O ATOM 728 CB THR A 44 -16.944 3.236 -23.928 1.00 0.00 C ATOM 729 OG1 THR A 44 -16.658 4.553 -24.363 1.00 0.00 O ATOM 730 CG2 THR A 44 -18.194 3.294 -23.078 1.00 0.00 C ATOM 0 H THR A 44 -15.269 4.544 -22.473 1.00 0.00 H new ATOM 0 HA THR A 44 -16.056 1.723 -22.689 1.00 0.00 H new ATOM 0 HB THR A 44 -17.130 2.573 -24.773 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.438 4.920 -24.829 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.008 3.731 -23.657 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.470 2.286 -22.768 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.006 3.906 -22.196 1.00 0.00 H new ATOM 738 N ALA A 45 -13.937 3.299 -24.671 1.00 0.00 N ATOM 739 CA ALA A 45 -12.860 3.101 -25.634 1.00 0.00 C ATOM 740 C ALA A 45 -11.565 2.708 -24.933 1.00 0.00 C ATOM 741 O ALA A 45 -11.497 2.674 -23.704 1.00 0.00 O ATOM 742 CB ALA A 45 -12.652 4.361 -26.461 1.00 0.00 C ATOM 0 H ALA A 45 -14.086 4.271 -24.400 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.146 2.286 -26.299 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.845 4.198 -27.175 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.570 4.599 -26.998 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.392 5.190 -25.802 1.00 0.00 H new ATOM 748 N THR A 46 -10.539 2.414 -25.723 1.00 0.00 N ATOM 749 CA THR A 46 -9.244 2.025 -25.179 1.00 0.00 C ATOM 750 C THR A 46 -8.196 3.097 -25.455 1.00 0.00 C ATOM 751 O THR A 46 -8.352 3.913 -26.363 1.00 0.00 O ATOM 752 CB THR A 46 -8.796 0.691 -25.779 1.00 0.00 C ATOM 753 OG1 THR A 46 -9.515 0.407 -26.966 1.00 0.00 O ATOM 754 CG2 THR A 46 -8.980 -0.480 -24.838 1.00 0.00 C ATOM 0 H THR A 46 -10.579 2.438 -26.742 1.00 0.00 H new ATOM 0 HA THR A 46 -9.349 1.913 -24.100 1.00 0.00 H new ATOM 0 HB THR A 46 -7.732 0.809 -25.982 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.461 -0.552 -27.160 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.643 -1.395 -25.325 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.396 -0.315 -23.933 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.034 -0.575 -24.577 1.00 0.00 H new ATOM 762 N TRP A 47 -7.128 3.090 -24.663 1.00 0.00 N ATOM 763 CA TRP A 47 -6.051 4.061 -24.819 1.00 0.00 C ATOM 764 C TRP A 47 -5.603 4.151 -26.276 1.00 0.00 C ATOM 765 O TRP A 47 -5.430 5.243 -26.818 1.00 0.00 O ATOM 766 CB TRP A 47 -4.864 3.679 -23.933 1.00 0.00 C ATOM 767 CG TRP A 47 -5.112 3.900 -22.472 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.203 2.944 -21.502 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.302 5.158 -21.814 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.438 3.530 -20.281 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.503 4.888 -20.447 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.320 6.486 -22.248 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.719 5.898 -19.512 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.535 7.487 -21.319 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.732 7.189 -19.966 1.00 0.00 C ATOM 0 H TRP A 47 -6.986 2.422 -23.906 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.428 5.037 -24.514 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.621 2.629 -24.097 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -3.993 4.259 -24.237 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.105 1.882 -21.669 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.546 3.035 -19.396 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.169 6.726 -23.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.871 5.670 -18.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.551 8.517 -21.643 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.898 7.994 -19.266 1.00 0.00 H new ATOM 786 N LYS A 48 -5.417 2.993 -26.902 1.00 0.00 N ATOM 787 CA LYS A 48 -4.985 2.930 -28.296 1.00 0.00 C ATOM 788 C LYS A 48 -5.798 3.879 -29.174 1.00 0.00 C ATOM 789 O LYS A 48 -5.308 4.364 -30.194 1.00 0.00 O ATOM 790 CB LYS A 48 -5.115 1.500 -28.822 1.00 0.00 C ATOM 791 CG LYS A 48 -6.534 0.958 -28.761 1.00 0.00 C ATOM 792 CD LYS A 48 -7.170 0.905 -30.141 1.00 0.00 C ATOM 793 CE LYS A 48 -8.347 -0.058 -30.177 1.00 0.00 C ATOM 794 NZ LYS A 48 -8.147 -1.145 -31.176 1.00 0.00 N ATOM 0 H LYS A 48 -5.559 2.082 -26.465 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.941 3.240 -28.337 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.766 1.468 -29.854 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.460 0.848 -28.244 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.525 -0.041 -28.325 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.137 1.586 -28.105 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.506 1.902 -30.426 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.425 0.598 -30.874 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.488 -0.495 -29.189 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.258 0.491 -30.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.971 -1.779 -31.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.038 -0.730 -32.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.292 -1.686 -30.934 1.00 0.00 H new ATOM 808 N ASP A 49 -7.038 4.136 -28.776 1.00 0.00 N ATOM 809 CA ASP A 49 -7.916 5.022 -29.533 1.00 0.00 C ATOM 810 C ASP A 49 -7.742 6.474 -29.095 1.00 0.00 C ATOM 811 O ASP A 49 -7.898 7.398 -29.894 1.00 0.00 O ATOM 812 CB ASP A 49 -9.375 4.598 -29.358 1.00 0.00 C ATOM 813 CG ASP A 49 -10.236 4.984 -30.546 1.00 0.00 C ATOM 814 OD1 ASP A 49 -9.683 5.514 -31.531 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.463 4.754 -30.488 1.00 0.00 O ATOM 0 H ASP A 49 -7.459 3.744 -27.934 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.643 4.946 -30.586 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.422 3.519 -29.214 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.778 5.058 -28.456 1.00 0.00 H new ATOM 820 N SER A 50 -7.422 6.668 -27.821 1.00 0.00 N ATOM 821 CA SER A 50 -7.232 8.007 -27.275 1.00 0.00 C ATOM 822 C SER A 50 -6.246 8.814 -28.114 1.00 0.00 C ATOM 823 O SER A 50 -5.395 8.251 -28.803 1.00 0.00 O ATOM 824 CB SER A 50 -6.738 7.924 -25.831 1.00 0.00 C ATOM 825 OG SER A 50 -5.409 7.434 -25.773 1.00 0.00 O ATOM 0 H SER A 50 -7.289 5.915 -27.146 1.00 0.00 H new ATOM 0 HA SER A 50 -8.196 8.516 -27.298 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.785 8.911 -25.370 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.395 7.271 -25.256 1.00 0.00 H new ATOM 0 HG SER A 50 -5.244 6.844 -26.538 1.00 0.00 H new ATOM 831 N LYS A 51 -6.364 10.135 -28.044 1.00 0.00 N ATOM 832 CA LYS A 51 -5.484 11.025 -28.792 1.00 0.00 C ATOM 833 C LYS A 51 -4.323 11.498 -27.922 1.00 0.00 C ATOM 834 O LYS A 51 -4.526 11.990 -26.812 1.00 0.00 O ATOM 835 CB LYS A 51 -6.269 12.227 -29.318 1.00 0.00 C ATOM 836 CG LYS A 51 -6.553 12.162 -30.810 1.00 0.00 C ATOM 837 CD LYS A 51 -6.179 13.461 -31.507 1.00 0.00 C ATOM 838 CE LYS A 51 -5.756 13.220 -32.947 1.00 0.00 C ATOM 839 NZ LYS A 51 -4.291 12.986 -33.063 1.00 0.00 N ATOM 0 H LYS A 51 -7.062 10.614 -27.475 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.077 10.470 -29.637 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.214 12.297 -28.779 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.711 13.138 -29.102 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.994 11.337 -31.252 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.611 11.953 -30.971 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.028 14.144 -31.486 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.367 13.945 -30.965 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.294 12.359 -33.344 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.036 14.079 -33.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.043 12.826 -34.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.777 13.818 -32.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.027 12.151 -32.502 1.00 0.00 H new ATOM 853 N THR A 52 -3.106 11.342 -28.433 1.00 0.00 N ATOM 854 CA THR A 52 -1.909 11.748 -27.705 1.00 0.00 C ATOM 855 C THR A 52 -1.520 13.183 -28.044 1.00 0.00 C ATOM 856 O THR A 52 -1.257 13.511 -29.201 1.00 0.00 O ATOM 857 CB THR A 52 -0.749 10.806 -28.029 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.171 9.455 -27.967 1.00 0.00 O ATOM 859 CG2 THR A 52 0.429 10.965 -27.093 1.00 0.00 C ATOM 0 H THR A 52 -2.923 10.936 -29.351 1.00 0.00 H new ATOM 0 HA THR A 52 -2.130 11.695 -26.639 1.00 0.00 H new ATOM 0 HB THR A 52 -0.429 11.074 -29.036 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.120 9.419 -27.723 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.217 10.268 -27.378 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.808 11.985 -27.155 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.112 10.757 -26.071 1.00 0.00 H new ATOM 867 N GLU A 53 -1.481 14.030 -27.023 1.00 0.00 N ATOM 868 CA GLU A 53 -1.119 15.430 -27.202 1.00 0.00 C ATOM 869 C GLU A 53 0.199 15.734 -26.501 1.00 0.00 C ATOM 870 O GLU A 53 0.431 15.291 -25.377 1.00 0.00 O ATOM 871 CB GLU A 53 -2.223 16.336 -26.655 1.00 0.00 C ATOM 872 CG GLU A 53 -2.819 17.270 -27.695 1.00 0.00 C ATOM 873 CD GLU A 53 -2.230 18.666 -27.631 1.00 0.00 C ATOM 874 OE1 GLU A 53 -2.662 19.452 -26.760 1.00 0.00 O ATOM 875 OE2 GLU A 53 -1.339 18.974 -28.449 1.00 0.00 O ATOM 0 H GLU A 53 -1.696 13.771 -26.060 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.000 15.621 -28.268 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.017 15.716 -26.239 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.820 16.930 -25.835 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.652 16.855 -28.689 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.898 17.328 -27.550 1.00 0.00 H new ATOM 882 N THR A 54 1.062 16.484 -27.170 1.00 0.00 N ATOM 883 CA THR A 54 2.357 16.836 -26.612 1.00 0.00 C ATOM 884 C THR A 54 2.414 18.318 -26.259 1.00 0.00 C ATOM 885 O THR A 54 2.538 19.173 -27.137 1.00 0.00 O ATOM 886 CB THR A 54 3.461 16.488 -27.606 1.00 0.00 C ATOM 887 OG1 THR A 54 2.964 16.511 -28.933 1.00 0.00 O ATOM 888 CG2 THR A 54 4.070 15.123 -27.367 1.00 0.00 C ATOM 0 H THR A 54 0.887 16.861 -28.102 1.00 0.00 H new ATOM 0 HA THR A 54 2.505 16.264 -25.696 1.00 0.00 H new ATOM 0 HB THR A 54 4.233 17.243 -27.460 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.686 16.287 -29.557 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.848 14.937 -28.107 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.504 15.088 -26.368 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.297 14.359 -27.454 1.00 0.00 H new ATOM 896 N LEU A 55 2.320 18.619 -24.967 1.00 0.00 N ATOM 897 CA LEU A 55 2.358 19.997 -24.496 1.00 0.00 C ATOM 898 C LEU A 55 3.785 20.427 -24.170 1.00 0.00 C ATOM 899 O LEU A 55 4.491 19.748 -23.423 1.00 0.00 O ATOM 900 CB LEU A 55 1.477 20.161 -23.257 1.00 0.00 C ATOM 901 CG LEU A 55 0.044 20.621 -23.532 1.00 0.00 C ATOM 902 CD1 LEU A 55 0.023 22.094 -23.908 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.585 19.776 -24.630 1.00 0.00 C ATOM 0 H LEU A 55 2.217 17.924 -24.227 1.00 0.00 H new ATOM 0 HA LEU A 55 1.978 20.633 -25.296 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.441 19.208 -22.728 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.950 20.879 -22.587 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.543 20.491 -22.623 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.004 22.406 -24.101 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.434 22.684 -23.089 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.623 22.249 -24.804 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.604 20.117 -24.813 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.000 19.874 -25.545 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.602 18.731 -24.320 1.00 0.00 H new ATOM 915 N GLN A 56 4.200 21.559 -24.726 1.00 0.00 N ATOM 916 CA GLN A 56 5.538 22.080 -24.484 1.00 0.00 C ATOM 917 C GLN A 56 5.544 22.973 -23.247 1.00 0.00 C ATOM 918 O GLN A 56 4.943 24.048 -23.243 1.00 0.00 O ATOM 919 CB GLN A 56 6.033 22.863 -25.702 1.00 0.00 C ATOM 920 CG GLN A 56 6.442 21.979 -26.868 1.00 0.00 C ATOM 921 CD GLN A 56 7.497 20.960 -26.484 1.00 0.00 C ATOM 922 OE1 GLN A 56 7.195 19.784 -26.278 1.00 0.00 O ATOM 923 NE2 GLN A 56 8.743 21.408 -26.386 1.00 0.00 N ATOM 0 H GLN A 56 3.629 22.133 -25.347 1.00 0.00 H new ATOM 0 HA GLN A 56 6.210 21.240 -24.312 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.247 23.543 -26.031 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.883 23.478 -25.407 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.563 21.460 -27.252 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.822 22.603 -27.677 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.947 22.391 -26.566 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.496 20.769 -26.131 1.00 0.00 H new ATOM 932 N ASN A 57 6.221 22.518 -22.194 1.00 0.00 N ATOM 933 CA ASN A 57 6.301 23.269 -20.939 1.00 0.00 C ATOM 934 C ASN A 57 4.939 23.834 -20.547 1.00 0.00 C ATOM 935 O ASN A 57 4.847 24.909 -19.954 1.00 0.00 O ATOM 936 CB ASN A 57 7.332 24.405 -21.030 1.00 0.00 C ATOM 937 CG ASN A 57 7.557 24.901 -22.446 1.00 0.00 C ATOM 938 OD1 ASN A 57 6.963 25.893 -22.871 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.418 24.211 -23.184 1.00 0.00 N ATOM 0 H ASN A 57 6.724 21.631 -22.184 1.00 0.00 H new ATOM 0 HA ASN A 57 6.625 22.570 -20.167 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.000 25.238 -20.410 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.280 24.059 -20.619 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.610 24.497 -24.144 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.888 23.395 -22.791 1.00 0.00 H new ATOM 946 N ALA A 58 3.882 23.098 -20.882 1.00 0.00 N ATOM 947 CA ALA A 58 2.523 23.520 -20.565 1.00 0.00 C ATOM 948 C ALA A 58 1.989 22.767 -19.350 1.00 0.00 C ATOM 949 O ALA A 58 2.335 21.607 -19.127 1.00 0.00 O ATOM 950 CB ALA A 58 1.611 23.306 -21.763 1.00 0.00 C ATOM 0 H ALA A 58 3.942 22.206 -21.373 1.00 0.00 H new ATOM 0 HA ALA A 58 2.543 24.583 -20.325 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.600 23.625 -21.512 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.977 23.890 -22.608 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.602 22.249 -22.029 1.00 0.00 H new ATOM 956 N HIS A 59 1.148 23.434 -18.566 1.00 0.00 N ATOM 957 CA HIS A 59 0.573 22.822 -17.373 1.00 0.00 C ATOM 958 C HIS A 59 -0.936 22.646 -17.519 1.00 0.00 C ATOM 959 O HIS A 59 -1.666 22.621 -16.529 1.00 0.00 O ATOM 960 CB HIS A 59 0.883 23.670 -16.138 1.00 0.00 C ATOM 961 CG HIS A 59 2.271 23.477 -15.613 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.841 24.306 -14.669 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.205 22.541 -15.902 1.00 0.00 C ATOM 964 CE1 HIS A 59 4.066 23.890 -14.402 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.311 22.820 -15.136 1.00 0.00 N ATOM 0 H HIS A 59 0.850 24.395 -18.734 1.00 0.00 H new ATOM 0 HA HIS A 59 1.023 21.837 -17.251 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.740 24.722 -16.384 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.169 23.427 -15.352 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.100 21.727 -16.604 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.750 24.347 -13.703 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.181 22.287 -15.135 1.00 0.00 H new ATOM 974 N SER A 60 -1.395 22.523 -18.760 1.00 0.00 N ATOM 975 CA SER A 60 -2.816 22.346 -19.035 1.00 0.00 C ATOM 976 C SER A 60 -3.062 22.133 -20.524 1.00 0.00 C ATOM 977 O SER A 60 -2.304 22.617 -21.365 1.00 0.00 O ATOM 978 CB SER A 60 -3.611 23.557 -18.547 1.00 0.00 C ATOM 979 OG SER A 60 -2.768 24.680 -18.358 1.00 0.00 O ATOM 0 H SER A 60 -0.804 22.543 -19.591 1.00 0.00 H new ATOM 0 HA SER A 60 -3.152 21.459 -18.497 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.389 23.800 -19.271 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.112 23.313 -17.610 1.00 0.00 H new ATOM 0 HG SER A 60 -3.302 25.441 -18.047 1.00 0.00 H new ATOM 985 N MET A 61 -4.130 21.410 -20.843 1.00 0.00 N ATOM 986 CA MET A 61 -4.481 21.137 -22.230 1.00 0.00 C ATOM 987 C MET A 61 -5.954 21.460 -22.476 1.00 0.00 C ATOM 988 O MET A 61 -6.799 21.253 -21.605 1.00 0.00 O ATOM 989 CB MET A 61 -4.182 19.668 -22.575 1.00 0.00 C ATOM 990 CG MET A 61 -4.966 19.124 -23.763 1.00 0.00 C ATOM 991 SD MET A 61 -4.042 17.892 -24.698 1.00 0.00 S ATOM 992 CE MET A 61 -5.377 16.966 -25.450 1.00 0.00 C ATOM 0 H MET A 61 -4.767 21.003 -20.159 1.00 0.00 H new ATOM 0 HA MET A 61 -3.877 21.772 -22.878 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.117 19.567 -22.782 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.397 19.052 -21.702 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.897 18.682 -23.408 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.236 19.948 -24.423 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.114 15.909 -25.482 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.286 17.096 -24.863 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.545 17.329 -26.464 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.251 21.952 -23.672 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.618 22.288 -24.038 1.00 0.00 C ATOM 1004 C ALA A 62 -8.229 21.174 -24.875 1.00 0.00 C ATOM 1005 O ALA A 62 -8.316 21.282 -26.098 1.00 0.00 O ATOM 1006 CB ALA A 62 -7.652 23.605 -24.800 1.00 0.00 C ATOM 0 H ALA A 62 -5.563 22.127 -24.404 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.206 22.400 -23.127 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.681 23.844 -25.068 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.246 24.399 -24.173 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.053 23.517 -25.706 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.640 20.095 -24.208 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.233 18.942 -24.889 1.00 0.00 C ATOM 1014 C LEU A 63 -10.168 19.379 -26.018 1.00 0.00 C ATOM 1015 O LEU A 63 -11.112 20.136 -25.790 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.006 18.073 -23.898 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.168 17.485 -22.761 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.010 17.338 -21.504 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.579 16.146 -23.175 1.00 0.00 C ATOM 0 H LEU A 63 -8.573 19.995 -23.195 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.416 18.363 -25.320 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.810 18.669 -23.466 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.474 17.254 -24.444 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.346 18.167 -22.544 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.400 16.918 -20.704 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.384 18.316 -21.200 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.851 16.674 -21.705 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.986 15.741 -22.356 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.385 15.453 -23.417 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.944 16.283 -24.050 1.00 0.00 H new ATOM 1031 N PRO A 64 -9.912 18.919 -27.254 1.00 0.00 N ATOM 1032 CA PRO A 64 -10.726 19.279 -28.403 1.00 0.00 C ATOM 1033 C PRO A 64 -11.931 18.357 -28.602 1.00 0.00 C ATOM 1034 O PRO A 64 -13.044 18.687 -28.195 1.00 0.00 O ATOM 1035 CB PRO A 64 -9.744 19.159 -29.568 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.707 18.168 -29.132 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.807 18.026 -27.630 1.00 0.00 C ATOM 0 HA PRO A 64 -11.169 20.269 -28.295 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.250 18.822 -30.472 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.291 20.123 -29.797 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.869 17.206 -29.618 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.711 18.506 -29.418 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.012 16.995 -27.341 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.877 18.315 -27.140 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.710 17.216 -29.251 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.788 16.270 -29.522 1.00 0.00 C ATOM 1047 C ALA A 65 -12.954 15.229 -28.417 1.00 0.00 C ATOM 1048 O ALA A 65 -12.160 14.295 -28.309 1.00 0.00 O ATOM 1049 CB ALA A 65 -12.554 15.582 -30.859 1.00 0.00 C ATOM 0 H ALA A 65 -10.796 16.925 -29.598 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.714 16.844 -29.558 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.363 14.878 -31.053 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.525 16.329 -31.652 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.606 15.046 -30.831 1.00 0.00 H new ATOM 1055 N LEU A 66 -14.017 15.368 -27.629 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.314 14.410 -26.570 1.00 0.00 C ATOM 1057 C LEU A 66 -15.645 13.723 -26.874 1.00 0.00 C ATOM 1058 O LEU A 66 -16.084 13.707 -28.024 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.355 15.087 -25.190 1.00 0.00 C ATOM 1060 CG LEU A 66 -13.126 15.932 -24.822 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -13.052 16.136 -23.311 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.846 15.285 -25.333 1.00 0.00 C ATOM 0 H LEU A 66 -14.686 16.134 -27.704 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.517 13.667 -26.538 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.237 15.725 -25.146 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.482 14.315 -24.431 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.229 16.905 -25.302 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.176 16.737 -23.067 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.950 16.650 -22.969 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.977 15.168 -22.816 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.991 15.903 -25.059 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.736 14.296 -24.888 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.893 15.192 -26.418 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.285 13.152 -25.859 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.558 12.469 -26.064 1.00 0.00 C ATOM 1076 C GLU A 67 -18.491 12.657 -24.868 1.00 0.00 C ATOM 1077 O GLU A 67 -18.314 12.021 -23.829 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.323 10.979 -26.311 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.399 10.590 -27.780 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.765 10.065 -28.175 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -19.424 9.428 -27.327 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -19.176 10.292 -29.332 1.00 0.00 O ATOM 0 H GLU A 67 -15.948 13.148 -24.896 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.036 12.910 -26.939 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.343 10.704 -25.920 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.062 10.405 -25.752 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.156 11.457 -28.394 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.647 9.829 -27.990 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.505 13.532 -25.001 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.470 13.792 -23.925 1.00 0.00 C ATOM 1091 C PRO A 68 -21.161 12.519 -23.446 1.00 0.00 C ATOM 1092 O PRO A 68 -21.166 11.505 -24.145 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.486 14.737 -24.571 1.00 0.00 C ATOM 1094 CG PRO A 68 -20.754 15.372 -25.701 1.00 0.00 C ATOM 1095 CD PRO A 68 -19.795 14.331 -26.204 1.00 0.00 C ATOM 0 HA PRO A 68 -19.986 14.207 -23.040 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.362 14.193 -24.924 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.839 15.484 -23.860 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -21.442 15.682 -26.487 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -20.224 16.265 -25.371 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.237 13.724 -26.994 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -18.892 14.781 -26.616 1.00 0.00 H new ATOM 1103 N SER A 69 -21.743 12.579 -22.254 1.00 0.00 N ATOM 1104 CA SER A 69 -22.439 11.430 -21.682 1.00 0.00 C ATOM 1105 C SER A 69 -21.556 10.189 -21.720 1.00 0.00 C ATOM 1106 O SER A 69 -22.027 9.085 -21.992 1.00 0.00 O ATOM 1107 CB SER A 69 -23.743 11.166 -22.439 1.00 0.00 C ATOM 1108 OG SER A 69 -23.575 11.363 -23.832 1.00 0.00 O ATOM 0 H SER A 69 -21.747 13.411 -21.664 1.00 0.00 H new ATOM 0 HA SER A 69 -22.672 11.658 -20.642 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.076 10.145 -22.251 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.524 11.829 -22.067 1.00 0.00 H new ATOM 0 HG SER A 69 -22.763 10.903 -24.132 1.00 0.00 H new ATOM 1114 N THR A 70 -20.270 10.380 -21.445 1.00 0.00 N ATOM 1115 CA THR A 70 -19.314 9.281 -21.446 1.00 0.00 C ATOM 1116 C THR A 70 -18.119 9.609 -20.556 1.00 0.00 C ATOM 1117 O THR A 70 -17.751 10.773 -20.399 1.00 0.00 O ATOM 1118 CB THR A 70 -18.844 8.991 -22.872 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.930 8.566 -23.677 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.773 7.927 -22.949 1.00 0.00 C ATOM 0 H THR A 70 -19.866 11.289 -21.218 1.00 0.00 H new ATOM 0 HA THR A 70 -19.808 8.394 -21.050 1.00 0.00 H new ATOM 0 HB THR A 70 -18.423 9.929 -23.233 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.759 8.605 -23.155 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.487 7.773 -23.990 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.902 8.246 -22.377 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.157 6.994 -22.536 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.518 8.578 -19.972 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.371 8.765 -19.096 1.00 0.00 C ATOM 1130 C ARG A 71 -15.093 8.959 -19.903 1.00 0.00 C ATOM 1131 O ARG A 71 -14.994 8.512 -21.046 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.222 7.573 -18.151 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.534 7.910 -16.704 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.831 6.660 -15.894 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.395 6.790 -14.506 1.00 0.00 N ATOM 1136 CZ ARG A 71 -16.918 6.095 -13.501 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -17.877 5.208 -13.730 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -16.478 6.283 -12.264 1.00 0.00 N ATOM 0 H ARG A 71 -17.807 7.607 -20.090 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.541 9.665 -18.505 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.884 6.772 -18.481 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.203 7.192 -18.216 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.690 8.439 -16.262 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.390 8.584 -16.662 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.902 6.457 -15.920 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.333 5.805 -16.352 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.647 7.451 -14.296 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.216 5.057 -14.680 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.276 4.677 -12.956 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -15.738 6.961 -12.084 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -16.880 5.749 -11.493 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.121 9.635 -19.303 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.853 9.899 -19.970 1.00 0.00 C ATOM 1154 C TYR A 72 -11.674 9.707 -19.020 1.00 0.00 C ATOM 1155 O TYR A 72 -11.592 10.353 -17.975 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.840 11.321 -20.534 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.234 11.399 -21.991 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.488 10.979 -22.416 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.349 11.889 -22.942 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.847 11.044 -23.749 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.704 11.959 -24.277 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.951 11.534 -24.673 1.00 0.00 C ATOM 1163 OH TYR A 72 -14.303 11.595 -26.001 1.00 0.00 O ATOM 0 H TYR A 72 -14.187 10.010 -18.357 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.750 9.185 -20.787 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.520 11.941 -19.949 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.842 11.741 -20.413 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.193 10.596 -21.694 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.368 12.221 -22.635 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.825 10.712 -24.064 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.006 12.345 -25.005 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.497 11.537 -26.556 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.760 8.821 -19.399 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.577 8.546 -18.594 1.00 0.00 C ATOM 1175 C TRP A 73 -8.331 9.093 -19.279 1.00 0.00 C ATOM 1176 O TRP A 73 -7.981 8.668 -20.380 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.430 7.043 -18.356 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.551 6.460 -17.556 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.860 6.360 -17.930 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.462 5.903 -16.240 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.592 5.772 -16.926 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.755 5.482 -15.878 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.414 5.718 -15.333 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.028 4.887 -14.649 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.687 5.127 -14.113 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -10.984 4.718 -13.781 1.00 0.00 C ATOM 0 H TRP A 73 -10.817 8.280 -20.262 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.693 9.042 -17.630 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.375 6.533 -19.318 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.488 6.854 -17.841 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.261 6.694 -18.875 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.594 5.582 -16.955 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.410 6.031 -15.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.028 4.570 -14.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.886 4.978 -13.404 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.164 4.260 -12.820 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.676 10.047 -18.631 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.481 10.659 -19.196 1.00 0.00 C ATOM 1199 C ALA A 74 -5.238 10.367 -18.361 1.00 0.00 C ATOM 1200 O ALA A 74 -5.288 9.623 -17.381 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.683 12.160 -19.337 1.00 0.00 C ATOM 0 H ALA A 74 -7.950 10.412 -17.719 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.319 10.220 -20.181 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.785 12.610 -19.760 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.530 12.353 -19.995 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.879 12.594 -18.357 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.122 10.965 -18.768 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.845 10.792 -18.086 1.00 0.00 C ATOM 1209 C ARG A 75 -1.818 11.763 -18.663 1.00 0.00 C ATOM 1210 O ARG A 75 -2.116 12.483 -19.616 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.356 9.350 -18.235 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.500 8.804 -19.647 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.968 7.383 -19.755 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.818 6.958 -21.144 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.596 5.700 -21.509 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.493 4.749 -20.590 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.475 5.392 -22.793 1.00 0.00 N ATOM 0 H ARG A 75 -4.078 11.582 -19.579 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.976 11.003 -17.025 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.308 9.297 -17.939 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.914 8.713 -17.549 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.550 8.823 -19.940 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.963 9.448 -20.343 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.004 7.318 -19.250 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.645 6.702 -19.239 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.888 7.666 -21.875 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.584 4.983 -19.601 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.323 3.784 -20.872 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.552 6.121 -23.502 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.305 4.426 -23.072 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.612 11.794 -18.098 1.00 0.00 N ATOM 1232 CA VAL A 76 0.412 12.702 -18.600 1.00 0.00 C ATOM 1233 C VAL A 76 1.820 12.287 -18.192 1.00 0.00 C ATOM 1234 O VAL A 76 2.094 12.031 -17.019 1.00 0.00 O ATOM 1235 CB VAL A 76 0.164 14.151 -18.130 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.364 14.278 -16.625 1.00 0.00 C ATOM 1237 CG2 VAL A 76 1.073 15.115 -18.875 1.00 0.00 C ATOM 0 H VAL A 76 -0.326 11.214 -17.310 1.00 0.00 H new ATOM 0 HA VAL A 76 0.340 12.650 -19.686 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.871 14.408 -18.355 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.183 15.309 -16.320 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.334 13.619 -16.108 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.386 13.998 -16.369 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.885 16.132 -18.531 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.114 14.854 -18.684 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.873 15.051 -19.945 1.00 0.00 H new ATOM 1247 N ARG A 77 2.715 12.254 -19.176 1.00 0.00 N ATOM 1248 CA ARG A 77 4.113 11.907 -18.939 1.00 0.00 C ATOM 1249 C ARG A 77 4.966 13.167 -18.998 1.00 0.00 C ATOM 1250 O ARG A 77 4.900 13.919 -19.968 1.00 0.00 O ATOM 1251 CB ARG A 77 4.607 10.903 -19.982 1.00 0.00 C ATOM 1252 CG ARG A 77 3.745 9.660 -20.090 1.00 0.00 C ATOM 1253 CD ARG A 77 4.382 8.620 -20.995 1.00 0.00 C ATOM 1254 NE ARG A 77 4.787 7.426 -20.260 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.545 6.468 -20.780 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.977 6.566 -22.030 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.872 5.409 -20.051 1.00 0.00 N ATOM 0 H ARG A 77 2.495 12.465 -20.150 1.00 0.00 H new ATOM 0 HA ARG A 77 4.196 11.450 -17.953 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.646 11.393 -20.955 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.626 10.607 -19.734 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.590 9.235 -19.098 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.763 9.929 -20.478 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.677 8.341 -21.778 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.252 9.054 -21.489 1.00 0.00 H new ATOM 0 HE ARG A 77 4.471 7.322 -19.296 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.727 7.378 -22.594 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.559 5.829 -22.428 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.541 5.330 -19.089 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.454 4.674 -20.452 1.00 0.00 H new ATOM 1271 N VAL A 78 5.755 13.408 -17.958 1.00 0.00 N ATOM 1272 CA VAL A 78 6.597 14.598 -17.914 1.00 0.00 C ATOM 1273 C VAL A 78 8.064 14.272 -18.173 1.00 0.00 C ATOM 1274 O VAL A 78 8.721 13.620 -17.361 1.00 0.00 O ATOM 1275 CB VAL A 78 6.471 15.332 -16.560 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.811 14.402 -15.403 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.357 16.569 -16.533 1.00 0.00 C ATOM 0 H VAL A 78 5.830 12.802 -17.141 1.00 0.00 H new ATOM 0 HA VAL A 78 6.240 15.251 -18.710 1.00 0.00 H new ATOM 0 HB VAL A 78 5.435 15.651 -16.445 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.715 14.943 -14.461 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.127 13.553 -15.406 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.835 14.044 -15.513 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.253 17.070 -15.571 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.397 16.275 -16.678 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.057 17.249 -17.331 1.00 0.00 H new ATOM 1287 N ARG A 79 8.578 14.751 -19.303 1.00 0.00 N ATOM 1288 CA ARG A 79 9.974 14.534 -19.658 1.00 0.00 C ATOM 1289 C ARG A 79 10.814 15.713 -19.180 1.00 0.00 C ATOM 1290 O ARG A 79 10.311 16.588 -18.481 1.00 0.00 O ATOM 1291 CB ARG A 79 10.130 14.344 -21.169 1.00 0.00 C ATOM 1292 CG ARG A 79 9.992 15.628 -21.969 1.00 0.00 C ATOM 1293 CD ARG A 79 10.316 15.402 -23.438 1.00 0.00 C ATOM 1294 NE ARG A 79 10.625 16.646 -24.134 1.00 0.00 N ATOM 1295 CZ ARG A 79 10.836 16.722 -25.445 1.00 0.00 C ATOM 1296 NH1 ARG A 79 10.758 15.631 -26.195 1.00 0.00 N ATOM 1297 NH2 ARG A 79 11.125 17.888 -26.008 1.00 0.00 N ATOM 0 H ARG A 79 8.048 15.291 -19.987 1.00 0.00 H new ATOM 0 HA ARG A 79 10.322 13.625 -19.168 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.107 13.905 -21.371 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.382 13.630 -21.515 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.976 16.011 -21.873 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.659 16.387 -21.560 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.164 14.722 -23.520 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.470 14.917 -23.924 1.00 0.00 H new ATOM 0 HE ARG A 79 10.682 17.504 -23.586 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.536 14.732 -25.767 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.920 15.691 -27.200 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.186 18.730 -25.435 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.286 17.943 -27.014 1.00 0.00 H new ATOM 1311 N THR A 80 12.088 15.737 -19.551 1.00 0.00 N ATOM 1312 CA THR A 80 12.967 16.822 -19.134 1.00 0.00 C ATOM 1313 C THR A 80 13.445 17.648 -20.323 1.00 0.00 C ATOM 1314 O THR A 80 13.412 18.876 -20.291 1.00 0.00 O ATOM 1315 CB THR A 80 14.169 16.263 -18.372 1.00 0.00 C ATOM 1316 OG1 THR A 80 14.303 14.870 -18.596 1.00 0.00 O ATOM 1317 CG2 THR A 80 14.080 16.479 -16.877 1.00 0.00 C ATOM 0 H THR A 80 12.532 15.027 -20.133 1.00 0.00 H new ATOM 0 HA THR A 80 12.394 17.478 -18.479 1.00 0.00 H new ATOM 0 HB THR A 80 15.032 16.809 -18.753 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.582 14.713 -19.522 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.963 16.059 -16.396 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.025 17.547 -16.666 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.188 15.986 -16.491 1.00 0.00 H new ATOM 1325 N SER A 81 13.897 16.970 -21.369 1.00 0.00 N ATOM 1326 CA SER A 81 14.394 17.648 -22.563 1.00 0.00 C ATOM 1327 C SER A 81 15.363 18.769 -22.185 1.00 0.00 C ATOM 1328 O SER A 81 15.310 19.869 -22.736 1.00 0.00 O ATOM 1329 CB SER A 81 13.230 18.200 -23.390 1.00 0.00 C ATOM 1330 OG SER A 81 13.673 19.156 -24.338 1.00 0.00 O ATOM 0 H SER A 81 13.931 15.952 -21.417 1.00 0.00 H new ATOM 0 HA SER A 81 14.934 16.921 -23.169 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.728 17.381 -23.905 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.496 18.657 -22.727 1.00 0.00 H new ATOM 0 HG SER A 81 14.014 19.947 -23.870 1.00 0.00 H new ATOM 1336 N ARG A 82 16.248 18.480 -21.234 1.00 0.00 N ATOM 1337 CA ARG A 82 17.229 19.460 -20.774 1.00 0.00 C ATOM 1338 C ARG A 82 18.347 19.641 -21.798 1.00 0.00 C ATOM 1339 O ARG A 82 19.521 19.424 -21.496 1.00 0.00 O ATOM 1340 CB ARG A 82 17.813 19.031 -19.426 1.00 0.00 C ATOM 1341 CG ARG A 82 18.471 20.166 -18.658 1.00 0.00 C ATOM 1342 CD ARG A 82 19.586 19.659 -17.757 1.00 0.00 C ATOM 1343 NE ARG A 82 20.869 20.280 -18.073 1.00 0.00 N ATOM 1344 CZ ARG A 82 21.179 21.532 -17.751 1.00 0.00 C ATOM 1345 NH1 ARG A 82 20.300 22.290 -17.109 1.00 0.00 N ATOM 1346 NH2 ARG A 82 22.367 22.026 -18.070 1.00 0.00 N ATOM 0 H ARG A 82 16.306 17.575 -20.767 1.00 0.00 H new ATOM 0 HA ARG A 82 16.721 20.417 -20.654 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.018 18.603 -18.815 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.547 18.243 -19.592 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.873 20.896 -19.360 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.722 20.681 -18.057 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.332 19.861 -16.717 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.672 18.577 -17.860 1.00 0.00 H new ATOM 0 HE ARG A 82 21.565 19.723 -18.568 1.00 0.00 H new ATOM 0 HH11 ARG A 82 19.385 21.912 -16.862 1.00 0.00 H new ATOM 0 HH12 ARG A 82 20.539 23.250 -16.862 1.00 0.00 H new ATOM 0 HH21 ARG A 82 23.045 21.445 -18.563 1.00 0.00 H new ATOM 0 HH22 ARG A 82 22.603 22.987 -17.822 1.00 0.00 H new ATOM 1360 N THR A 83 17.972 20.050 -23.006 1.00 0.00 N ATOM 1361 CA THR A 83 18.934 20.275 -24.079 1.00 0.00 C ATOM 1362 C THR A 83 19.913 19.110 -24.219 1.00 0.00 C ATOM 1363 O THR A 83 20.977 19.099 -23.601 1.00 0.00 O ATOM 1364 CB THR A 83 19.703 21.573 -23.830 1.00 0.00 C ATOM 1365 OG1 THR A 83 20.700 21.385 -22.841 1.00 0.00 O ATOM 1366 CG2 THR A 83 18.817 22.714 -23.379 1.00 0.00 C ATOM 0 H THR A 83 17.003 20.233 -23.267 1.00 0.00 H new ATOM 0 HA THR A 83 18.375 20.353 -25.011 1.00 0.00 H new ATOM 0 HB THR A 83 20.146 21.835 -24.791 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.632 20.478 -22.476 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.424 23.605 -23.220 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.068 22.917 -24.144 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.320 22.443 -22.448 1.00 0.00 H new ATOM 1374 N GLY A 84 19.552 18.139 -25.055 1.00 0.00 N ATOM 1375 CA GLY A 84 20.415 16.993 -25.286 1.00 0.00 C ATOM 1376 C GLY A 84 20.376 15.967 -24.168 1.00 0.00 C ATOM 1377 O GLY A 84 21.189 15.043 -24.147 1.00 0.00 O ATOM 0 H GLY A 84 18.676 18.126 -25.577 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.124 16.512 -26.220 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.440 17.341 -25.413 1.00 0.00 H new ATOM 1381 N TYR A 85 19.440 16.118 -23.238 1.00 0.00 N ATOM 1382 CA TYR A 85 19.324 15.179 -22.127 1.00 0.00 C ATOM 1383 C TYR A 85 19.186 13.746 -22.645 1.00 0.00 C ATOM 1384 O TYR A 85 18.987 13.527 -23.840 1.00 0.00 O ATOM 1385 CB TYR A 85 18.134 15.552 -21.227 1.00 0.00 C ATOM 1386 CG TYR A 85 16.810 14.944 -21.643 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.370 15.023 -22.957 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.005 14.287 -20.720 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.162 14.469 -23.340 1.00 0.00 C ATOM 1390 CE2 TYR A 85 14.799 13.728 -21.095 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.382 13.823 -22.405 1.00 0.00 C ATOM 1392 OH TYR A 85 13.181 13.266 -22.783 1.00 0.00 O ATOM 0 H TYR A 85 18.756 16.874 -23.230 1.00 0.00 H new ATOM 0 HA TYR A 85 20.234 15.238 -21.530 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.356 15.241 -20.206 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.032 16.637 -21.214 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.981 15.525 -23.692 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.328 14.212 -19.692 1.00 0.00 H new ATOM 0 HE1 TYR A 85 14.832 14.542 -24.366 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.186 13.219 -20.366 1.00 0.00 H new ATOM 0 HH TYR A 85 13.084 12.384 -22.367 1.00 0.00 H new ATOM 1402 N ASN A 86 19.291 12.778 -21.741 1.00 0.00 N ATOM 1403 CA ASN A 86 19.172 11.371 -22.121 1.00 0.00 C ATOM 1404 C ASN A 86 17.845 11.108 -22.824 1.00 0.00 C ATOM 1405 O ASN A 86 16.913 11.908 -22.730 1.00 0.00 O ATOM 1406 CB ASN A 86 19.311 10.444 -20.908 1.00 0.00 C ATOM 1407 CG ASN A 86 18.788 11.062 -19.632 1.00 0.00 C ATOM 1408 OD1 ASN A 86 19.294 10.793 -18.543 1.00 0.00 O ATOM 1409 ND2 ASN A 86 17.767 11.897 -19.761 1.00 0.00 N ATOM 0 H ASN A 86 19.457 12.937 -20.747 1.00 0.00 H new ATOM 0 HA ASN A 86 19.988 11.155 -22.810 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.774 9.516 -21.103 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.361 10.183 -20.775 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.368 12.347 -18.937 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.380 12.090 -20.685 1.00 0.00 H new ATOM 1416 N GLY A 87 17.762 9.981 -23.521 1.00 0.00 N ATOM 1417 CA GLY A 87 16.541 9.631 -24.223 1.00 0.00 C ATOM 1418 C GLY A 87 15.604 8.808 -23.363 1.00 0.00 C ATOM 1419 O GLY A 87 15.276 7.671 -23.703 1.00 0.00 O ATOM 0 H GLY A 87 18.518 9.303 -23.613 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.034 10.541 -24.542 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.790 9.072 -25.125 1.00 0.00 H new ATOM 1423 N ILE A 88 15.179 9.382 -22.243 1.00 0.00 N ATOM 1424 CA ILE A 88 14.279 8.691 -21.325 1.00 0.00 C ATOM 1425 C ILE A 88 13.003 9.503 -21.090 1.00 0.00 C ATOM 1426 O ILE A 88 12.855 10.609 -21.607 1.00 0.00 O ATOM 1427 CB ILE A 88 14.972 8.381 -19.960 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.697 9.476 -18.916 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.475 8.201 -20.147 1.00 0.00 C ATOM 1430 CD1 ILE A 88 15.115 10.857 -19.361 1.00 0.00 C ATOM 0 H ILE A 88 15.442 10.322 -21.949 1.00 0.00 H new ATOM 0 HA ILE A 88 14.012 7.744 -21.794 1.00 0.00 H new ATOM 0 HB ILE A 88 14.546 7.450 -19.587 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.632 9.485 -18.684 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.222 9.227 -17.994 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.938 7.986 -19.184 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.660 7.373 -20.832 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.902 9.115 -20.559 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.890 11.577 -18.574 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.186 10.865 -19.565 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.571 11.128 -20.266 1.00 0.00 H new ATOM 1442 N TRP A 89 12.102 8.948 -20.287 1.00 0.00 N ATOM 1443 CA TRP A 89 10.852 9.618 -19.959 1.00 0.00 C ATOM 1444 C TRP A 89 10.367 9.213 -18.572 1.00 0.00 C ATOM 1445 O TRP A 89 11.008 8.417 -17.886 1.00 0.00 O ATOM 1446 CB TRP A 89 9.779 9.278 -20.989 1.00 0.00 C ATOM 1447 CG TRP A 89 9.758 10.210 -22.157 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.705 10.316 -23.131 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.741 11.165 -22.475 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.340 11.278 -24.041 1.00 0.00 N ATOM 1451 CE2 TRP A 89 9.136 11.814 -23.661 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.533 11.535 -21.875 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.366 12.809 -24.256 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.772 12.525 -22.466 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.190 13.151 -23.647 1.00 0.00 C ATOM 0 H TRP A 89 12.216 8.033 -19.851 1.00 0.00 H new ATOM 0 HA TRP A 89 11.036 10.692 -19.970 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.940 8.262 -21.348 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.803 9.294 -20.504 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.610 9.729 -23.180 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.877 11.549 -24.865 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.201 11.055 -20.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.686 13.294 -25.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.839 12.821 -22.010 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.571 13.920 -24.086 1.00 0.00 H new ATOM 1466 N SER A 90 9.226 9.761 -18.168 1.00 0.00 N ATOM 1467 CA SER A 90 8.651 9.449 -16.867 1.00 0.00 C ATOM 1468 C SER A 90 7.864 8.145 -16.934 1.00 0.00 C ATOM 1469 O SER A 90 7.952 7.408 -17.915 1.00 0.00 O ATOM 1470 CB SER A 90 7.748 10.592 -16.395 1.00 0.00 C ATOM 1471 OG SER A 90 6.610 10.726 -17.229 1.00 0.00 O ATOM 0 H SER A 90 8.683 10.422 -18.723 1.00 0.00 H new ATOM 0 HA SER A 90 9.462 9.329 -16.149 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.430 10.407 -15.369 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.311 11.525 -16.391 1.00 0.00 H new ATOM 0 HG SER A 90 5.801 10.757 -16.676 1.00 0.00 H new ATOM 1477 N GLU A 91 7.099 7.860 -15.886 1.00 0.00 N ATOM 1478 CA GLU A 91 6.306 6.638 -15.836 1.00 0.00 C ATOM 1479 C GLU A 91 4.916 6.862 -16.425 1.00 0.00 C ATOM 1480 O GLU A 91 4.598 6.356 -17.501 1.00 0.00 O ATOM 1481 CB GLU A 91 6.193 6.135 -14.395 1.00 0.00 C ATOM 1482 CG GLU A 91 5.944 4.640 -14.289 1.00 0.00 C ATOM 1483 CD GLU A 91 4.471 4.300 -14.180 1.00 0.00 C ATOM 1484 OE1 GLU A 91 3.875 4.573 -13.117 1.00 0.00 O ATOM 1485 OE2 GLU A 91 3.912 3.758 -15.158 1.00 0.00 O ATOM 0 H GLU A 91 7.011 8.456 -15.063 1.00 0.00 H new ATOM 0 HA GLU A 91 6.813 5.882 -16.436 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.111 6.381 -13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.382 6.666 -13.896 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.364 4.143 -15.163 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.469 4.249 -13.417 1.00 0.00 H new ATOM 1492 N TRP A 92 4.089 7.625 -15.711 1.00 0.00 N ATOM 1493 CA TRP A 92 2.727 7.923 -16.152 1.00 0.00 C ATOM 1494 C TRP A 92 1.911 8.496 -14.999 1.00 0.00 C ATOM 1495 O TRP A 92 1.734 7.847 -13.968 1.00 0.00 O ATOM 1496 CB TRP A 92 2.042 6.666 -16.695 1.00 0.00 C ATOM 1497 CG TRP A 92 2.022 6.599 -18.192 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.505 5.590 -18.974 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.493 7.584 -19.087 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.310 5.887 -20.301 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.689 7.106 -20.396 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.869 8.823 -18.908 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.286 7.824 -21.519 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.469 9.535 -20.023 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.678 9.033 -21.314 1.00 0.00 C ATOM 0 H TRP A 92 4.341 8.050 -14.819 1.00 0.00 H new ATOM 0 HA TRP A 92 2.785 8.661 -16.952 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.554 5.786 -16.306 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.018 6.630 -16.323 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.972 4.690 -18.604 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.583 5.297 -21.087 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.703 9.216 -17.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.447 7.441 -22.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.012 10.494 -19.897 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.353 9.612 -22.165 1.00 0.00 H new ATOM 1516 N SER A 93 1.420 9.717 -15.178 1.00 0.00 N ATOM 1517 CA SER A 93 0.626 10.379 -14.150 1.00 0.00 C ATOM 1518 C SER A 93 -0.582 9.540 -13.761 1.00 0.00 C ATOM 1519 O SER A 93 -1.234 8.937 -14.614 1.00 0.00 O ATOM 1520 CB SER A 93 0.165 11.753 -14.634 1.00 0.00 C ATOM 1521 OG SER A 93 -0.947 11.637 -15.505 1.00 0.00 O ATOM 0 H SER A 93 1.558 10.268 -16.025 1.00 0.00 H new ATOM 0 HA SER A 93 1.258 10.501 -13.271 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.102 12.373 -13.778 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.984 12.255 -15.149 1.00 0.00 H new ATOM 0 HG SER A 93 -1.771 11.830 -15.011 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.879 9.511 -12.465 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.016 8.752 -11.952 1.00 0.00 C ATOM 1529 C GLU A 94 -3.257 8.972 -12.812 1.00 0.00 C ATOM 1530 O GLU A 94 -3.813 10.071 -12.851 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.309 9.157 -10.506 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.423 8.349 -9.862 1.00 0.00 C ATOM 1533 CD GLU A 94 -3.438 8.478 -8.351 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -2.514 7.947 -7.701 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -4.373 9.112 -7.819 1.00 0.00 O ATOM 0 H GLU A 94 -0.347 10.006 -11.749 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.758 7.693 -11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.401 9.044 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.576 10.213 -10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.383 8.678 -10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.309 7.299 -10.132 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.683 7.922 -13.506 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.854 7.996 -14.372 1.00 0.00 C ATOM 1544 C ALA A 95 -6.027 8.667 -13.663 1.00 0.00 C ATOM 1545 O ALA A 95 -6.305 8.384 -12.498 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.246 6.605 -14.843 1.00 0.00 C ATOM 0 H ALA A 95 -3.233 7.007 -13.485 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.595 8.605 -15.238 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.121 6.673 -15.489 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.419 6.162 -15.398 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.479 5.981 -13.980 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.711 9.553 -14.378 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.856 10.264 -13.823 1.00 0.00 C ATOM 1554 C ARG A 96 -9.074 10.115 -14.729 1.00 0.00 C ATOM 1555 O ARG A 96 -8.975 10.270 -15.947 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.521 11.745 -13.637 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.552 12.009 -12.496 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.197 11.740 -11.146 1.00 0.00 C ATOM 1559 NE ARG A 96 -7.683 12.965 -10.519 1.00 0.00 N ATOM 1560 CZ ARG A 96 -6.916 13.788 -9.810 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -5.629 13.519 -9.639 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -7.436 14.884 -9.273 1.00 0.00 N ATOM 0 H ARG A 96 -6.492 9.796 -15.344 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.091 9.828 -12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.094 12.132 -14.562 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.443 12.298 -13.456 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.671 11.378 -12.612 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.211 13.043 -12.538 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.026 11.044 -11.273 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.474 11.258 -10.488 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.668 13.204 -10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.224 12.679 -10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.044 14.152 -9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.425 15.096 -9.404 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.847 15.515 -8.729 1.00 0.00 H new ATOM 1576 N SER A 97 -10.219 9.808 -14.129 1.00 0.00 N ATOM 1577 CA SER A 97 -11.456 9.634 -14.881 1.00 0.00 C ATOM 1578 C SER A 97 -12.439 10.762 -14.587 1.00 0.00 C ATOM 1579 O SER A 97 -12.537 11.232 -13.454 1.00 0.00 O ATOM 1580 CB SER A 97 -12.093 8.284 -14.543 1.00 0.00 C ATOM 1581 OG SER A 97 -11.141 7.395 -13.987 1.00 0.00 O ATOM 0 H SER A 97 -10.316 9.674 -13.122 1.00 0.00 H new ATOM 0 HA SER A 97 -11.213 9.660 -15.943 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.912 8.431 -13.839 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.522 7.845 -15.444 1.00 0.00 H new ATOM 0 HG SER A 97 -10.962 6.669 -14.621 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.167 11.190 -15.614 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.143 12.263 -15.458 1.00 0.00 C ATOM 1589 C TRP A 98 -15.305 12.098 -16.436 1.00 0.00 C ATOM 1590 O TRP A 98 -15.157 11.479 -17.491 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.467 13.628 -15.646 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.266 14.031 -17.079 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.182 14.629 -17.897 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.076 13.874 -17.861 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.633 14.853 -19.136 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.341 14.398 -19.137 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.811 13.342 -17.608 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.387 14.404 -20.148 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.866 13.348 -18.615 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.160 13.878 -19.872 1.00 0.00 C ATOM 0 H TRP A 98 -13.100 10.812 -16.559 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.548 12.210 -14.448 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.069 14.389 -15.149 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.498 13.611 -15.147 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.191 14.888 -17.611 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -14.110 15.287 -19.926 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.574 12.931 -16.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.611 14.813 -21.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.885 12.937 -18.427 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.401 13.871 -20.641 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.456 12.656 -16.079 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.641 12.572 -16.925 1.00 0.00 C ATOM 1613 C ASP A 99 -17.805 13.839 -17.758 1.00 0.00 C ATOM 1614 O ASP A 99 -17.888 14.943 -17.221 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.891 12.339 -16.072 1.00 0.00 C ATOM 1616 CG ASP A 99 -19.037 13.361 -14.963 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -18.167 14.251 -14.857 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -20.022 13.272 -14.200 1.00 0.00 O ATOM 0 H ASP A 99 -16.594 13.171 -15.210 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.513 11.728 -17.603 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.774 12.372 -16.711 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -18.849 11.340 -15.638 1.00 0.00 H new ATOM 1623 N THR A 100 -17.847 13.670 -19.076 1.00 0.00 N ATOM 1624 CA THR A 100 -17.999 14.797 -19.990 1.00 0.00 C ATOM 1625 C THR A 100 -19.353 15.479 -19.811 1.00 0.00 C ATOM 1626 O THR A 100 -19.537 16.624 -20.224 1.00 0.00 O ATOM 1627 CB THR A 100 -17.845 14.328 -21.437 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.267 12.983 -21.577 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.424 14.418 -21.947 1.00 0.00 C ATOM 0 H THR A 100 -17.778 12.762 -19.536 1.00 0.00 H new ATOM 0 HA THR A 100 -17.218 15.521 -19.758 1.00 0.00 H new ATOM 0 HB THR A 100 -18.469 15.001 -22.026 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.796 12.569 -22.330 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.385 14.070 -22.979 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.085 15.453 -21.900 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.776 13.796 -21.330 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.299 14.771 -19.201 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.634 15.314 -18.979 1.00 0.00 C ATOM 1639 C GLU A 101 -22.399 15.415 -20.293 1.00 0.00 C ATOM 1640 O GLU A 101 -21.803 15.569 -21.359 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.546 16.692 -18.319 1.00 0.00 C ATOM 1642 CG GLU A 101 -20.590 16.740 -17.139 1.00 0.00 C ATOM 1643 CD GLU A 101 -21.210 16.205 -15.863 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -21.196 14.972 -15.670 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -21.708 17.020 -15.058 1.00 0.00 O ATOM 0 H GLU A 101 -20.166 13.822 -18.852 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.171 14.637 -18.314 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -21.229 17.423 -19.063 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.540 16.989 -17.984 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -19.698 16.160 -17.376 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -20.268 17.769 -16.978 1.00 0.00 H new ATOM 1652 N SER A 102 -23.722 15.328 -20.211 1.00 0.00 N ATOM 1653 CA SER A 102 -24.565 15.411 -21.398 1.00 0.00 C ATOM 1654 C SER A 102 -24.356 16.738 -22.120 1.00 0.00 C ATOM 1655 O SER A 102 -23.849 17.684 -21.481 1.00 0.00 O ATOM 1656 CB SER A 102 -26.039 15.248 -21.020 1.00 0.00 C ATOM 1657 OG SER A 102 -26.884 15.571 -22.111 1.00 0.00 O ATOM 1658 OXT SER A 102 -24.698 16.820 -23.318 1.00 0.00 O ATOM 0 H SER A 102 -24.233 15.200 -19.337 1.00 0.00 H new ATOM 0 HA SER A 102 -24.281 14.602 -22.071 1.00 0.00 H new ATOM 0 HB2 SER A 102 -26.225 14.222 -20.703 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.273 15.891 -20.172 1.00 0.00 H new ATOM 0 HG SER A 102 -27.820 15.457 -21.844 1.00 0.00 H new TER 1664 SER A 102