USER MOD reduce.3.24.130724 H: found=0, std=0, add=1164, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1155 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: B 32 LYS NZ :NH3+ -133:sc= 1.16 (180deg=0.455) USER MOD Set 1.2: C 50 HIS : +bothHN:sc= -1.76! C(o=-0.6!,f=-14!) USER MOD Set 2.1: A 50 HIS : +bothHN:sc= -1.62! C(o=-0.5!,f=-13!) USER MOD Set 2.2: C 32 LYS NZ :NH3+ -145:sc= 1.12 (180deg=0.586) USER MOD Set 3.1: C 12 CYS SG : rot 148:sc= -3.43! USER MOD Set 3.2: C 15 CYS SG : rot -154:sc= -0.472! USER MOD Set 3.3: C 26 CYS SG : rot -173:sc= 1.48 USER MOD Set 3.4: C 29 CYS SG : rot -30:sc= -0.809! USER MOD Set 4.1: B 12 CYS SG : rot 162:sc= -2.95! USER MOD Set 4.2: B 15 CYS SG : rot 109:sc= 0.0903! USER MOD Set 4.3: B 26 CYS SG : rot 155:sc= 0.263 USER MOD Set 4.4: B 29 CYS SG : rot -50:sc= 0.251! USER MOD Set 5.1: A 32 LYS NZ :NH3+ -134:sc= 1.16 (180deg=0.509) USER MOD Set 5.2: B 50 HIS : +bothHN:sc= -1.89! C(o=-0.73!,f=-14!) USER MOD Set 6.1: A 12 CYS SG : rot 163:sc= -2.48! USER MOD Set 6.2: A 15 CYS SG : rot 118:sc= -0.888! USER MOD Set 6.3: A 26 CYS SG : rot 161:sc= -2.7! USER MOD Set 6.4: A 29 CYS SG : rot -54:sc= -1.3! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc=-0.00267 (180deg=-0.0949) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 39 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.63) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 71:sc= 0.451 USER MOD Single : A 48 GLN : amide:sc= 0.0238 K(o=0.024,f=-0.56) USER MOD Single : A 49 LYS NZ :NH3+ 138:sc= 0.937 (180deg=0.0727) USER MOD Single : A 52 ASN : amide:sc= -3.07! C(o=-3.1!,f=-5.3!) USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= 1.11 (180deg=0.582) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 171:sc=-0.00341 (180deg=-0.0825) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0.0546 USER MOD Single : B 37 THR OG1 : rot 180:sc= -0.114 USER MOD Single : B 39 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.58) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot -168:sc= 0.31 USER MOD Single : B 48 GLN : amide:sc= 0.00764 K(o=0.0076,f=-0.63) USER MOD Single : B 49 LYS NZ :NH3+ 142:sc= 1.08 (180deg=0.124) USER MOD Single : B 52 ASN : amide:sc= -3.16! C(o=-3.2!,f=-5.5!) USER MOD Single : B 53 LYS NZ :NH3+ -103:sc= 1.13 (180deg=0.521) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0399) USER MOD Single : C 24 THR OG1 : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= 0.0628 USER MOD Single : C 37 THR OG1 : rot 180:sc= -0.104 USER MOD Single : C 39 GLN :FLIP amide:sc=-0.00773 F(o=-1.9!,f=-0.0077) USER MOD Single : C 41 TYR OH : rot 180:sc= 0 USER MOD Single : C 42 THR OG1 : rot 72:sc= 0.42 USER MOD Single : C 48 GLN : amide:sc= 0.11 K(o=0.11,f=-0.51) USER MOD Single : C 49 LYS NZ :NH3+ 138:sc= 1.12 (180deg=-0.015) USER MOD Single : C 52 ASN : amide:sc= -3.21! C(o=-3.2!,f=-5.3!) USER MOD Single : C 53 LYS NZ :NH3+ 128:sc= 1.2 (180deg=0.392) USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 2 -0.437 -9.026 13.740 1.00 0.00 N ATOM 22 CA VAL A 2 -1.291 -8.230 14.614 1.00 0.00 C ATOM 23 C VAL A 2 -2.370 -7.506 13.803 1.00 0.00 C ATOM 24 O VAL A 2 -3.279 -6.881 14.355 1.00 0.00 O ATOM 25 CB VAL A 2 -0.448 -7.203 15.411 1.00 0.00 C ATOM 26 CG1 VAL A 2 0.130 -6.136 14.491 1.00 0.00 C ATOM 27 CG2 VAL A 2 -1.259 -6.574 16.534 1.00 0.00 C ATOM 0 HA VAL A 2 -1.778 -8.905 15.318 1.00 0.00 H new ATOM 0 HB VAL A 2 0.384 -7.741 15.865 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.717 -5.429 15.077 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.769 -6.607 13.744 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.682 -5.607 13.992 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.639 -5.858 17.074 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.124 -6.061 16.115 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.596 -7.352 17.219 1.00 0.00 H new ATOM 37 N ILE A 3 -2.271 -7.612 12.487 1.00 0.00 N ATOM 38 CA ILE A 3 -3.238 -6.987 11.603 1.00 0.00 C ATOM 39 C ILE A 3 -3.827 -8.018 10.651 1.00 0.00 C ATOM 40 O ILE A 3 -3.115 -8.885 10.142 1.00 0.00 O ATOM 41 CB ILE A 3 -2.611 -5.818 10.793 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.702 -5.046 10.043 1.00 0.00 C ATOM 43 CG2 ILE A 3 -1.549 -6.328 9.821 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.194 -3.818 9.320 1.00 0.00 C ATOM 0 H ILE A 3 -1.530 -8.125 12.009 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.030 -6.574 12.227 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.123 -5.142 11.495 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.174 -5.712 9.321 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.474 -4.746 10.752 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.128 -5.488 9.268 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.757 -6.829 10.378 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.003 -7.031 9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.024 -3.325 8.813 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.748 -3.131 10.039 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.444 -4.112 8.586 1.00 0.00 H new ATOM 56 N ALA A 4 -5.132 -7.955 10.461 1.00 0.00 N ATOM 57 CA ALA A 4 -5.797 -8.785 9.477 1.00 0.00 C ATOM 58 C ALA A 4 -6.457 -7.903 8.428 1.00 0.00 C ATOM 59 O ALA A 4 -6.646 -6.704 8.646 1.00 0.00 O ATOM 60 CB ALA A 4 -6.821 -9.689 10.146 1.00 0.00 C ATOM 0 H ALA A 4 -5.754 -7.334 10.979 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.059 -9.421 8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.310 -10.305 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.321 -10.332 10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.567 -9.079 10.656 1.00 0.00 H new ATOM 66 N THR A 5 -6.809 -8.490 7.292 1.00 0.00 N ATOM 67 CA THR A 5 -7.452 -7.749 6.215 1.00 0.00 C ATOM 68 C THR A 5 -8.836 -7.275 6.658 1.00 0.00 C ATOM 69 O THR A 5 -9.431 -6.386 6.053 1.00 0.00 O ATOM 70 CB THR A 5 -7.576 -8.621 4.948 1.00 0.00 C ATOM 71 OG1 THR A 5 -6.321 -9.264 4.679 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.983 -7.788 3.739 1.00 0.00 C ATOM 0 H THR A 5 -6.660 -9.479 7.092 1.00 0.00 H new ATOM 0 HA THR A 5 -6.834 -6.883 5.979 1.00 0.00 H new ATOM 0 HB THR A 5 -8.349 -9.368 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.403 -9.818 3.875 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.062 -8.432 2.863 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.947 -7.316 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.232 -7.019 3.558 1.00 0.00 H new ATOM 80 N ASP A 6 -9.304 -7.839 7.762 1.00 0.00 N ATOM 81 CA ASP A 6 -10.625 -7.541 8.288 1.00 0.00 C ATOM 82 C ASP A 6 -10.594 -6.260 9.117 1.00 0.00 C ATOM 83 O ASP A 6 -11.631 -5.775 9.570 1.00 0.00 O ATOM 84 CB ASP A 6 -11.123 -8.710 9.144 1.00 0.00 C ATOM 85 CG ASP A 6 -11.316 -9.986 8.342 1.00 0.00 C ATOM 86 OD1 ASP A 6 -10.307 -10.635 7.985 1.00 0.00 O ATOM 87 OD2 ASP A 6 -12.478 -10.359 8.078 1.00 0.00 O ATOM 0 H ASP A 6 -8.778 -8.515 8.316 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.309 -7.395 7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.410 -8.896 9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.068 -8.435 9.613 1.00 0.00 H new ATOM 92 N ASP A 7 -9.399 -5.713 9.316 1.00 0.00 N ATOM 93 CA ASP A 7 -9.254 -4.441 10.018 1.00 0.00 C ATOM 94 C ASP A 7 -9.025 -3.314 9.024 1.00 0.00 C ATOM 95 O ASP A 7 -8.889 -2.150 9.403 1.00 0.00 O ATOM 96 CB ASP A 7 -8.063 -4.488 10.985 1.00 0.00 C ATOM 97 CG ASP A 7 -8.148 -5.620 11.989 1.00 0.00 C ATOM 98 OD1 ASP A 7 -8.714 -5.411 13.082 1.00 0.00 O ATOM 99 OD2 ASP A 7 -7.629 -6.719 11.699 1.00 0.00 O ATOM 0 H ASP A 7 -8.521 -6.127 9.003 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.172 -4.263 10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.142 -4.590 10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.002 -3.541 11.521 1.00 0.00 H new ATOM 104 N LEU A 8 -8.989 -3.665 7.749 1.00 0.00 N ATOM 105 CA LEU A 8 -8.784 -2.686 6.690 1.00 0.00 C ATOM 106 C LEU A 8 -9.948 -2.703 5.711 1.00 0.00 C ATOM 107 O LEU A 8 -10.272 -1.686 5.090 1.00 0.00 O ATOM 108 CB LEU A 8 -7.474 -2.970 5.963 1.00 0.00 C ATOM 109 CG LEU A 8 -6.220 -2.794 6.815 1.00 0.00 C ATOM 110 CD1 LEU A 8 -4.983 -3.208 6.041 1.00 0.00 C ATOM 111 CD2 LEU A 8 -6.094 -1.354 7.276 1.00 0.00 C ATOM 0 H LEU A 8 -9.099 -4.624 7.420 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.730 -1.694 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.499 -3.992 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.404 -2.311 5.098 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.308 -3.437 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.101 -3.075 6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.068 -4.256 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.890 -2.592 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.195 -1.243 7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.029 -0.698 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.968 -1.084 7.869 1.00 0.00 H new ATOM 123 N GLU A 9 -10.602 -3.849 5.622 1.00 0.00 N ATOM 124 CA GLU A 9 -11.744 -4.026 4.745 1.00 0.00 C ATOM 125 C GLU A 9 -12.725 -4.997 5.383 1.00 0.00 C ATOM 126 O GLU A 9 -12.342 -5.854 6.180 1.00 0.00 O ATOM 127 CB GLU A 9 -11.337 -4.513 3.343 1.00 0.00 C ATOM 128 CG GLU A 9 -10.566 -3.476 2.534 1.00 0.00 C ATOM 129 CD GLU A 9 -10.643 -3.695 1.033 1.00 0.00 C ATOM 130 OE1 GLU A 9 -9.977 -4.615 0.523 1.00 0.00 O ATOM 131 OE2 GLU A 9 -11.349 -2.916 0.345 1.00 0.00 O ATOM 0 H GLU A 9 -10.355 -4.682 6.156 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.219 -3.054 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.726 -5.410 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.234 -4.797 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.953 -2.484 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.520 -3.491 2.842 1.00 0.00 H new ATOM 138 N VAL A 10 -13.985 -4.836 5.045 1.00 0.00 N ATOM 139 CA VAL A 10 -15.047 -5.660 5.581 1.00 0.00 C ATOM 140 C VAL A 10 -15.927 -6.147 4.439 1.00 0.00 C ATOM 141 O VAL A 10 -16.127 -5.433 3.455 1.00 0.00 O ATOM 142 CB VAL A 10 -15.884 -4.869 6.621 1.00 0.00 C ATOM 143 CG1 VAL A 10 -16.402 -3.565 6.032 1.00 0.00 C ATOM 144 CG2 VAL A 10 -17.037 -5.708 7.156 1.00 0.00 C ATOM 0 H VAL A 10 -14.304 -4.125 4.386 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.612 -6.520 6.091 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.225 -4.628 7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.985 -3.032 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.560 -2.947 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -17.033 -3.781 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.604 -5.126 7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.690 -5.996 6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.643 -6.603 7.637 1.00 0.00 H new ATOM 154 N ALA A 11 -16.430 -7.368 4.554 1.00 0.00 N ATOM 155 CA ALA A 11 -17.257 -7.944 3.508 1.00 0.00 C ATOM 156 C ALA A 11 -18.545 -7.155 3.349 1.00 0.00 C ATOM 157 O ALA A 11 -19.199 -6.798 4.331 1.00 0.00 O ATOM 158 CB ALA A 11 -17.550 -9.402 3.832 1.00 0.00 C ATOM 0 H ALA A 11 -16.279 -7.976 5.359 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.719 -7.896 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.171 -9.832 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.613 -9.955 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.076 -9.464 4.784 1.00 0.00 H new ATOM 164 N CYS A 12 -18.886 -6.878 2.092 1.00 0.00 N ATOM 165 CA CYS A 12 -19.980 -5.991 1.736 1.00 0.00 C ATOM 166 C CYS A 12 -21.336 -6.376 2.323 1.00 0.00 C ATOM 167 O CYS A 12 -21.528 -7.491 2.797 1.00 0.00 O ATOM 168 CB CYS A 12 -20.110 -5.935 0.225 1.00 0.00 C ATOM 169 SG CYS A 12 -19.308 -4.505 -0.486 1.00 0.00 S ATOM 0 H CYS A 12 -18.401 -7.271 1.285 1.00 0.00 H new ATOM 0 HA CYS A 12 -19.721 -5.023 2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -19.680 -6.839 -0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -21.166 -5.925 -0.044 1.00 0.00 H new ATOM 0 HG CYS A 12 -19.138 -4.692 -1.761 1.00 0.00 H new ATOM 174 N PRO A 13 -22.306 -5.443 2.270 1.00 0.00 N ATOM 175 CA PRO A 13 -23.693 -5.708 2.674 1.00 0.00 C ATOM 176 C PRO A 13 -24.287 -6.954 2.010 1.00 0.00 C ATOM 177 O PRO A 13 -25.079 -7.674 2.613 1.00 0.00 O ATOM 178 CB PRO A 13 -24.424 -4.459 2.176 1.00 0.00 C ATOM 179 CG PRO A 13 -23.416 -3.376 2.267 1.00 0.00 C ATOM 180 CD PRO A 13 -22.117 -4.027 1.876 1.00 0.00 C ATOM 0 HA PRO A 13 -23.775 -5.897 3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.777 -4.587 1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -25.298 -4.240 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.661 -2.550 1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.365 -2.966 3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.925 -3.930 0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.270 -3.576 2.394 1.00 0.00 H new ATOM 188 N LYS A 14 -23.862 -7.229 0.778 1.00 0.00 N ATOM 189 CA LYS A 14 -24.562 -8.201 -0.052 1.00 0.00 C ATOM 190 C LYS A 14 -23.665 -8.895 -1.082 1.00 0.00 C ATOM 191 O LYS A 14 -23.922 -10.037 -1.452 1.00 0.00 O ATOM 192 CB LYS A 14 -25.717 -7.499 -0.774 1.00 0.00 C ATOM 193 CG LYS A 14 -26.418 -8.356 -1.818 1.00 0.00 C ATOM 194 CD LYS A 14 -27.325 -7.511 -2.701 1.00 0.00 C ATOM 195 CE LYS A 14 -27.935 -8.335 -3.813 1.00 0.00 C ATOM 196 NZ LYS A 14 -28.822 -9.406 -3.285 1.00 0.00 N ATOM 0 H LYS A 14 -23.048 -6.798 0.339 1.00 0.00 H new ATOM 0 HA LYS A 14 -24.925 -8.983 0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.450 -7.177 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.335 -6.600 -1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.676 -8.864 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -27.005 -9.130 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -28.117 -7.071 -2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.754 -6.686 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -28.506 -7.685 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.141 -8.783 -4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.338 -9.849 -4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -28.248 -10.124 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -29.501 -8.994 -2.614 1.00 0.00 H new ATOM 210 N CYS A 15 -22.617 -8.232 -1.565 1.00 0.00 N ATOM 211 CA CYS A 15 -21.918 -8.762 -2.733 1.00 0.00 C ATOM 212 C CYS A 15 -20.472 -9.179 -2.461 1.00 0.00 C ATOM 213 O CYS A 15 -19.602 -9.044 -3.324 1.00 0.00 O ATOM 214 CB CYS A 15 -21.920 -7.654 -3.778 1.00 0.00 C ATOM 215 SG CYS A 15 -21.056 -6.148 -3.226 1.00 0.00 S ATOM 0 H CYS A 15 -22.244 -7.362 -1.185 1.00 0.00 H new ATOM 0 HA CYS A 15 -22.433 -9.667 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -21.449 -8.022 -4.690 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -22.950 -7.403 -4.030 1.00 0.00 H new ATOM 0 HG CYS A 15 -20.043 -5.917 -4.008 1.00 0.00 H new ATOM 220 N GLU A 16 -20.263 -9.820 -1.330 1.00 0.00 N ATOM 221 CA GLU A 16 -18.941 -10.246 -0.890 1.00 0.00 C ATOM 222 C GLU A 16 -18.688 -11.655 -1.377 1.00 0.00 C ATOM 223 O GLU A 16 -17.943 -12.423 -0.766 1.00 0.00 O ATOM 224 CB GLU A 16 -18.877 -10.244 0.642 1.00 0.00 C ATOM 225 CG GLU A 16 -20.090 -9.641 1.328 1.00 0.00 C ATOM 226 CD GLU A 16 -21.236 -10.629 1.446 1.00 0.00 C ATOM 227 OE1 GLU A 16 -21.877 -10.915 0.419 1.00 0.00 O ATOM 228 OE2 GLU A 16 -21.503 -11.123 2.561 1.00 0.00 O ATOM 0 H GLU A 16 -21.010 -10.065 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.193 -9.562 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.754 -11.270 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.989 -9.694 0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.808 -9.295 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.423 -8.767 0.769 1.00 0.00 H new ATOM 235 N ARG A 17 -19.323 -11.986 -2.485 1.00 0.00 N ATOM 236 CA ARG A 17 -19.458 -13.354 -2.919 1.00 0.00 C ATOM 237 C ARG A 17 -19.490 -13.358 -4.445 1.00 0.00 C ATOM 238 O ARG A 17 -19.169 -14.352 -5.096 1.00 0.00 O ATOM 239 CB ARG A 17 -20.736 -13.967 -2.338 1.00 0.00 C ATOM 240 CG ARG A 17 -22.006 -13.224 -2.736 1.00 0.00 C ATOM 241 CD ARG A 17 -23.181 -13.614 -1.855 1.00 0.00 C ATOM 242 NE ARG A 17 -22.999 -13.162 -0.477 1.00 0.00 N ATOM 243 CZ ARG A 17 -23.475 -13.794 0.589 1.00 0.00 C ATOM 244 NH1 ARG A 17 -24.191 -14.902 0.445 1.00 0.00 N ATOM 245 NH2 ARG A 17 -23.244 -13.308 1.802 1.00 0.00 N ATOM 0 H ARG A 17 -19.760 -11.307 -3.109 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.620 -13.955 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -20.814 -15.003 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -20.660 -13.982 -1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -21.837 -12.150 -2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -22.244 -13.440 -3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.097 -13.185 -2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.302 -14.697 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 17 -22.471 -12.303 -0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -24.377 -15.271 -0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.555 -15.384 1.267 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.702 -12.451 1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -23.608 -13.791 2.623 1.00 0.00 H new ATOM 259 N ALA A 18 -19.897 -12.209 -5.003 1.00 0.00 N ATOM 260 CA ALA A 18 -20.097 -12.090 -6.444 1.00 0.00 C ATOM 261 C ALA A 18 -19.400 -10.866 -7.020 1.00 0.00 C ATOM 262 O ALA A 18 -18.877 -10.908 -8.131 1.00 0.00 O ATOM 263 CB ALA A 18 -21.582 -12.052 -6.771 1.00 0.00 C ATOM 0 H ALA A 18 -20.092 -11.357 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 18 -19.649 -12.969 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -21.715 -11.963 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -22.055 -12.970 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -22.042 -11.196 -6.277 1.00 0.00 H new ATOM 269 N GLY A 19 -19.386 -9.779 -6.256 1.00 0.00 N ATOM 270 CA GLY A 19 -18.754 -8.562 -6.721 1.00 0.00 C ATOM 271 C GLY A 19 -19.707 -7.650 -7.473 1.00 0.00 C ATOM 272 O GLY A 19 -19.272 -6.750 -8.187 1.00 0.00 O ATOM 0 H GLY A 19 -19.800 -9.721 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.342 -8.024 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.917 -8.819 -7.370 1.00 0.00 H new ATOM 276 N GLU A 20 -21.003 -7.841 -7.266 1.00 0.00 N ATOM 277 CA GLU A 20 -22.012 -7.072 -7.989 1.00 0.00 C ATOM 278 C GLU A 20 -23.277 -6.927 -7.165 1.00 0.00 C ATOM 279 O GLU A 20 -23.493 -7.656 -6.198 1.00 0.00 O ATOM 280 CB GLU A 20 -22.365 -7.715 -9.334 1.00 0.00 C ATOM 281 CG GLU A 20 -22.645 -9.207 -9.249 1.00 0.00 C ATOM 282 CD GLU A 20 -23.258 -9.752 -10.521 1.00 0.00 C ATOM 283 OE1 GLU A 20 -22.521 -9.939 -11.512 1.00 0.00 O ATOM 284 OE2 GLU A 20 -24.483 -9.981 -10.540 1.00 0.00 O ATOM 0 H GLU A 20 -21.382 -8.520 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 20 -21.580 -6.089 -8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -23.241 -7.214 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -21.544 -7.548 -10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.716 -9.737 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -23.317 -9.401 -8.413 1.00 0.00 H new ATOM 291 N ILE A 21 -24.100 -5.980 -7.559 1.00 0.00 N ATOM 292 CA ILE A 21 -25.388 -5.758 -6.940 1.00 0.00 C ATOM 293 C ILE A 21 -26.440 -5.740 -8.030 1.00 0.00 C ATOM 294 O ILE A 21 -26.494 -4.796 -8.813 1.00 0.00 O ATOM 295 CB ILE A 21 -25.444 -4.415 -6.170 1.00 0.00 C ATOM 296 CG1 ILE A 21 -24.402 -4.373 -5.048 1.00 0.00 C ATOM 297 CG2 ILE A 21 -26.840 -4.173 -5.607 1.00 0.00 C ATOM 298 CD1 ILE A 21 -24.694 -5.293 -3.880 1.00 0.00 C ATOM 0 H ILE A 21 -23.892 -5.338 -8.324 1.00 0.00 H new ATOM 0 HA ILE A 21 -25.565 -6.559 -6.222 1.00 0.00 H new ATOM 0 HB ILE A 21 -25.211 -3.619 -6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -23.429 -4.634 -5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -24.327 -3.350 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -26.856 -3.224 -5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -27.561 -4.140 -6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -27.102 -4.981 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -23.904 -5.197 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.650 -5.021 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.738 -6.324 -4.231 1.00 0.00 H new ATOM 310 N GLU A 22 -27.255 -6.783 -8.089 1.00 0.00 N ATOM 311 CA GLU A 22 -28.303 -6.878 -9.099 1.00 0.00 C ATOM 312 C GLU A 22 -27.712 -6.873 -10.507 1.00 0.00 C ATOM 313 O GLU A 22 -28.184 -6.150 -11.386 1.00 0.00 O ATOM 314 CB GLU A 22 -29.243 -5.691 -8.925 1.00 0.00 C ATOM 315 CG GLU A 22 -30.630 -5.897 -9.498 1.00 0.00 C ATOM 316 CD GLU A 22 -31.641 -4.931 -8.919 1.00 0.00 C ATOM 317 OE1 GLU A 22 -32.106 -5.163 -7.782 1.00 0.00 O ATOM 318 OE2 GLU A 22 -31.971 -3.932 -9.591 1.00 0.00 O ATOM 0 H GLU A 22 -27.212 -7.577 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 22 -28.844 -7.816 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -29.333 -5.468 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -28.795 -4.817 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.595 -5.777 -10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.954 -6.919 -9.301 1.00 0.00 H new ATOM 325 N GLY A 23 -26.660 -7.653 -10.721 1.00 0.00 N ATOM 326 CA GLY A 23 -25.999 -7.656 -12.015 1.00 0.00 C ATOM 327 C GLY A 23 -25.353 -6.331 -12.337 1.00 0.00 C ATOM 328 O GLY A 23 -24.825 -6.127 -13.429 1.00 0.00 O ATOM 0 H GLY A 23 -26.253 -8.281 -10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -25.241 -8.439 -12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -26.726 -7.900 -12.790 1.00 0.00 H new ATOM 332 N THR A 24 -25.400 -5.441 -11.377 1.00 0.00 N ATOM 333 CA THR A 24 -25.017 -4.066 -11.570 1.00 0.00 C ATOM 334 C THR A 24 -23.834 -3.687 -10.665 1.00 0.00 C ATOM 335 O THR A 24 -23.696 -4.219 -9.563 1.00 0.00 O ATOM 336 CB THR A 24 -26.283 -3.258 -11.262 1.00 0.00 C ATOM 337 OG1 THR A 24 -27.082 -3.139 -12.445 1.00 0.00 O ATOM 338 CG2 THR A 24 -26.019 -1.885 -10.661 1.00 0.00 C ATOM 0 H THR A 24 -25.709 -5.654 -10.429 1.00 0.00 H new ATOM 0 HA THR A 24 -24.664 -3.868 -12.582 1.00 0.00 H new ATOM 0 HB THR A 24 -26.820 -3.815 -10.494 1.00 0.00 H new ATOM 0 HG1 THR A 24 -27.891 -2.624 -12.243 1.00 0.00 H new ATOM 0 HG21 THR A 24 -26.967 -1.381 -10.474 1.00 0.00 H new ATOM 0 HG22 THR A 24 -25.476 -1.997 -9.722 1.00 0.00 H new ATOM 0 HG23 THR A 24 -25.424 -1.292 -11.356 1.00 0.00 H new ATOM 346 N PRO A 25 -22.944 -2.789 -11.147 1.00 0.00 N ATOM 347 CA PRO A 25 -21.746 -2.368 -10.406 1.00 0.00 C ATOM 348 C PRO A 25 -22.089 -1.848 -9.016 1.00 0.00 C ATOM 349 O PRO A 25 -23.019 -1.061 -8.840 1.00 0.00 O ATOM 350 CB PRO A 25 -21.142 -1.257 -11.279 1.00 0.00 C ATOM 351 CG PRO A 25 -22.250 -0.842 -12.184 1.00 0.00 C ATOM 352 CD PRO A 25 -23.038 -2.096 -12.439 1.00 0.00 C ATOM 0 HA PRO A 25 -21.058 -3.196 -10.236 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -20.793 -0.422 -10.672 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.284 -1.620 -11.845 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -22.870 -0.074 -11.722 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -21.864 -0.423 -13.113 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -24.071 -1.880 -12.711 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -22.612 -2.687 -13.250 1.00 0.00 H new ATOM 360 N CYS A 26 -21.336 -2.306 -8.031 1.00 0.00 N ATOM 361 CA CYS A 26 -21.671 -2.072 -6.643 1.00 0.00 C ATOM 362 C CYS A 26 -21.145 -0.728 -6.115 1.00 0.00 C ATOM 363 O CYS A 26 -20.020 -0.335 -6.428 1.00 0.00 O ATOM 364 CB CYS A 26 -21.110 -3.215 -5.810 1.00 0.00 C ATOM 365 SG CYS A 26 -21.618 -3.157 -4.079 1.00 0.00 S ATOM 0 H CYS A 26 -20.482 -2.846 -8.172 1.00 0.00 H new ATOM 0 HA CYS A 26 -22.757 -2.028 -6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -21.431 -4.162 -6.244 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -20.021 -3.193 -5.862 1.00 0.00 H new ATOM 0 HG CYS A 26 -21.458 -4.329 -3.540 1.00 0.00 H new ATOM 370 N PRO A 27 -21.969 -0.034 -5.291 1.00 0.00 N ATOM 371 CA PRO A 27 -21.678 1.280 -4.691 1.00 0.00 C ATOM 372 C PRO A 27 -20.205 1.570 -4.384 1.00 0.00 C ATOM 373 O PRO A 27 -19.662 2.587 -4.810 1.00 0.00 O ATOM 374 CB PRO A 27 -22.445 1.190 -3.376 1.00 0.00 C ATOM 375 CG PRO A 27 -23.654 0.369 -3.676 1.00 0.00 C ATOM 376 CD PRO A 27 -23.325 -0.473 -4.901 1.00 0.00 C ATOM 0 HA PRO A 27 -21.952 2.080 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -21.838 0.726 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -22.723 2.180 -3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -23.909 -0.267 -2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -24.517 1.007 -3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -23.347 -1.538 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -24.044 -0.306 -5.703 1.00 0.00 H new ATOM 384 N ALA A 28 -19.570 0.671 -3.641 1.00 0.00 N ATOM 385 CA ALA A 28 -18.262 0.961 -3.061 1.00 0.00 C ATOM 386 C ALA A 28 -17.256 -0.158 -3.313 1.00 0.00 C ATOM 387 O ALA A 28 -16.093 -0.055 -2.930 1.00 0.00 O ATOM 388 CB ALA A 28 -18.405 1.217 -1.566 1.00 0.00 C ATOM 0 H ALA A 28 -19.935 -0.257 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.876 1.855 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.426 1.433 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.067 2.068 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.825 0.334 -1.084 1.00 0.00 H new ATOM 394 N CYS A 29 -17.705 -1.232 -3.940 1.00 0.00 N ATOM 395 CA CYS A 29 -16.819 -2.341 -4.259 1.00 0.00 C ATOM 396 C CYS A 29 -16.998 -2.716 -5.729 1.00 0.00 C ATOM 397 O CYS A 29 -18.019 -3.282 -6.112 1.00 0.00 O ATOM 398 CB CYS A 29 -17.105 -3.544 -3.329 1.00 0.00 C ATOM 399 SG CYS A 29 -18.604 -4.500 -3.732 1.00 0.00 S ATOM 0 H CYS A 29 -18.672 -1.361 -4.237 1.00 0.00 H new ATOM 0 HA CYS A 29 -15.783 -2.044 -4.098 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -16.247 -4.216 -3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -17.191 -3.179 -2.306 1.00 0.00 H new ATOM 0 HG CYS A 29 -19.629 -3.701 -3.779 1.00 0.00 H new ATOM 404 N SER A 30 -16.035 -2.365 -6.567 1.00 0.00 N ATOM 405 CA SER A 30 -16.143 -2.620 -7.993 1.00 0.00 C ATOM 406 C SER A 30 -15.749 -4.055 -8.357 1.00 0.00 C ATOM 407 O SER A 30 -14.936 -4.277 -9.253 1.00 0.00 O ATOM 408 CB SER A 30 -15.264 -1.614 -8.736 1.00 0.00 C ATOM 409 OG SER A 30 -14.016 -1.462 -8.077 1.00 0.00 O ATOM 0 H SER A 30 -15.171 -1.903 -6.284 1.00 0.00 H new ATOM 0 HA SER A 30 -17.185 -2.502 -8.290 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.102 -1.950 -9.760 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.772 -0.651 -8.793 1.00 0.00 H new ATOM 0 HG SER A 30 -13.464 -0.816 -8.566 1.00 0.00 H new ATOM 415 N GLY A 31 -16.331 -5.023 -7.661 1.00 0.00 N ATOM 416 CA GLY A 31 -16.096 -6.413 -7.997 1.00 0.00 C ATOM 417 C GLY A 31 -14.958 -7.030 -7.214 1.00 0.00 C ATOM 418 O GLY A 31 -14.177 -7.811 -7.755 1.00 0.00 O ATOM 0 H GLY A 31 -16.960 -4.871 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.006 -6.984 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.880 -6.491 -9.063 1.00 0.00 H new ATOM 422 N LYS A 32 -14.863 -6.699 -5.933 1.00 0.00 N ATOM 423 CA LYS A 32 -13.823 -7.254 -5.078 1.00 0.00 C ATOM 424 C LYS A 32 -14.454 -8.197 -4.060 1.00 0.00 C ATOM 425 O LYS A 32 -13.905 -9.247 -3.740 1.00 0.00 O ATOM 426 CB LYS A 32 -13.099 -6.144 -4.327 1.00 0.00 C ATOM 427 CG LYS A 32 -12.702 -4.964 -5.193 1.00 0.00 C ATOM 428 CD LYS A 32 -11.843 -3.984 -4.417 1.00 0.00 C ATOM 429 CE LYS A 32 -12.458 -3.648 -3.067 1.00 0.00 C ATOM 430 NZ LYS A 32 -11.574 -2.773 -2.265 1.00 0.00 N ATOM 0 H LYS A 32 -15.494 -6.049 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.110 -7.790 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.740 -5.789 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.203 -6.558 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.156 -5.318 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.596 -4.459 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.849 -4.407 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.717 -3.070 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.419 -3.155 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.655 -4.569 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.518 -3.135 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.623 -2.761 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.959 -1.807 -2.253 1.00 0.00 H new ATOM 444 N GLY A 33 -15.616 -7.793 -3.541 1.00 0.00 N ATOM 445 CA GLY A 33 -16.292 -8.548 -2.522 1.00 0.00 C ATOM 446 C GLY A 33 -16.392 -7.753 -1.236 1.00 0.00 C ATOM 447 O GLY A 33 -17.426 -7.757 -0.573 1.00 0.00 O ATOM 0 H GLY A 33 -16.099 -6.939 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.291 -8.818 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.756 -9.479 -2.338 1.00 0.00 H new ATOM 451 N VAL A 34 -15.336 -7.017 -0.910 1.00 0.00 N ATOM 452 CA VAL A 34 -15.280 -6.283 0.350 1.00 0.00 C ATOM 453 C VAL A 34 -15.234 -4.767 0.139 1.00 0.00 C ATOM 454 O VAL A 34 -14.963 -4.283 -0.967 1.00 0.00 O ATOM 455 CB VAL A 34 -14.040 -6.708 1.169 1.00 0.00 C ATOM 456 CG1 VAL A 34 -14.109 -8.182 1.543 1.00 0.00 C ATOM 457 CG2 VAL A 34 -12.760 -6.424 0.395 1.00 0.00 C ATOM 0 H VAL A 34 -14.509 -6.912 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.193 -6.527 0.892 1.00 0.00 H new ATOM 0 HB VAL A 34 -14.032 -6.121 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.224 -8.453 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.001 -8.364 2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.151 -8.786 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.900 -6.731 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.770 -6.981 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -12.692 -5.357 0.182 1.00 0.00 H new ATOM 467 N ILE A 35 -15.521 -4.037 1.211 1.00 0.00 N ATOM 468 CA ILE A 35 -15.403 -2.582 1.239 1.00 0.00 C ATOM 469 C ILE A 35 -14.494 -2.149 2.380 1.00 0.00 C ATOM 470 O ILE A 35 -14.264 -2.905 3.314 1.00 0.00 O ATOM 471 CB ILE A 35 -16.773 -1.893 1.405 1.00 0.00 C ATOM 472 CG1 ILE A 35 -17.600 -2.597 2.484 1.00 0.00 C ATOM 473 CG2 ILE A 35 -17.513 -1.863 0.080 1.00 0.00 C ATOM 474 CD1 ILE A 35 -18.918 -1.919 2.794 1.00 0.00 C ATOM 0 H ILE A 35 -15.844 -4.440 2.091 1.00 0.00 H new ATOM 0 HA ILE A 35 -14.979 -2.279 0.282 1.00 0.00 H new ATOM 0 HB ILE A 35 -16.611 -0.864 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -17.796 -3.621 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -17.010 -2.655 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.478 -1.374 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.924 -1.311 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.669 -2.882 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.442 -2.480 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -18.731 -0.904 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.530 -1.885 1.893 1.00 0.00 H new ATOM 486 N LEU A 36 -13.989 -0.929 2.307 1.00 0.00 N ATOM 487 CA LEU A 36 -12.990 -0.463 3.262 1.00 0.00 C ATOM 488 C LEU A 36 -13.604 0.133 4.515 1.00 0.00 C ATOM 489 O LEU A 36 -14.747 0.587 4.517 1.00 0.00 O ATOM 490 CB LEU A 36 -12.088 0.594 2.626 1.00 0.00 C ATOM 491 CG LEU A 36 -11.348 0.153 1.371 1.00 0.00 C ATOM 492 CD1 LEU A 36 -12.091 0.595 0.118 1.00 0.00 C ATOM 493 CD2 LEU A 36 -9.934 0.696 1.390 1.00 0.00 C ATOM 0 H LEU A 36 -14.252 -0.243 1.599 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.415 -1.345 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.695 1.466 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.354 0.914 3.366 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.301 -0.936 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.542 0.268 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.087 0.153 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.177 1.682 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.410 0.377 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.963 1.785 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.411 0.317 2.268 1.00 0.00 H new ATOM 505 N THR A 37 -12.815 0.118 5.579 1.00 0.00 N ATOM 506 CA THR A 37 -13.130 0.838 6.798 1.00 0.00 C ATOM 507 C THR A 37 -12.197 2.044 6.889 1.00 0.00 C ATOM 508 O THR A 37 -11.311 2.183 6.051 1.00 0.00 O ATOM 509 CB THR A 37 -12.972 -0.061 8.050 1.00 0.00 C ATOM 510 OG1 THR A 37 -13.306 0.667 9.238 1.00 0.00 O ATOM 511 CG2 THR A 37 -11.554 -0.600 8.163 1.00 0.00 C ATOM 0 H THR A 37 -11.935 -0.397 5.619 1.00 0.00 H new ATOM 0 HA THR A 37 -14.171 1.159 6.768 1.00 0.00 H new ATOM 0 HB THR A 37 -13.656 -0.902 7.941 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.202 0.084 10.019 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.473 -1.227 9.051 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.318 -1.191 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.854 0.232 8.241 1.00 0.00 H new ATOM 519 N ALA A 38 -12.379 2.897 7.889 1.00 0.00 N ATOM 520 CA ALA A 38 -11.610 4.141 7.997 1.00 0.00 C ATOM 521 C ALA A 38 -10.105 3.898 7.934 1.00 0.00 C ATOM 522 O ALA A 38 -9.389 4.603 7.219 1.00 0.00 O ATOM 523 CB ALA A 38 -11.972 4.873 9.272 1.00 0.00 C ATOM 0 H ALA A 38 -13.053 2.754 8.641 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.873 4.759 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.394 5.795 9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.036 5.112 9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.748 4.240 10.131 1.00 0.00 H new ATOM 529 N GLN A 39 -9.628 2.906 8.679 1.00 0.00 N ATOM 530 CA GLN A 39 -8.217 2.538 8.639 1.00 0.00 C ATOM 531 C GLN A 39 -7.794 2.176 7.218 1.00 0.00 C ATOM 532 O GLN A 39 -6.745 2.608 6.740 1.00 0.00 O ATOM 533 CB GLN A 39 -7.945 1.362 9.571 1.00 0.00 C ATOM 534 CG GLN A 39 -6.466 1.087 9.765 1.00 0.00 C ATOM 535 CD GLN A 39 -6.202 -0.002 10.778 1.00 0.00 C ATOM 536 OE1 GLN A 39 -6.928 -0.145 11.758 1.00 0.00 O ATOM 537 NE2 GLN A 39 -5.175 -0.792 10.529 1.00 0.00 N ATOM 0 H GLN A 39 -10.195 2.345 9.315 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.635 3.398 8.972 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.402 1.561 10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.425 0.469 9.170 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.025 0.803 8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.970 2.003 10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.599 -0.635 9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.957 -1.560 11.164 1.00 0.00 H new ATOM 546 N GLY A 40 -8.628 1.392 6.545 1.00 0.00 N ATOM 547 CA GLY A 40 -8.351 1.012 5.175 1.00 0.00 C ATOM 548 C GLY A 40 -8.457 2.192 4.232 1.00 0.00 C ATOM 549 O GLY A 40 -7.754 2.259 3.229 1.00 0.00 O ATOM 0 H GLY A 40 -9.494 1.012 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.350 0.585 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.050 0.235 4.865 1.00 0.00 H new ATOM 553 N TYR A 41 -9.316 3.139 4.570 1.00 0.00 N ATOM 554 CA TYR A 41 -9.469 4.340 3.769 1.00 0.00 C ATOM 555 C TYR A 41 -8.233 5.217 3.868 1.00 0.00 C ATOM 556 O TYR A 41 -7.858 5.879 2.899 1.00 0.00 O ATOM 557 CB TYR A 41 -10.707 5.120 4.225 1.00 0.00 C ATOM 558 CG TYR A 41 -11.981 4.731 3.505 1.00 0.00 C ATOM 559 CD1 TYR A 41 -12.237 5.185 2.219 1.00 0.00 C ATOM 560 CD2 TYR A 41 -12.924 3.912 4.109 1.00 0.00 C ATOM 561 CE1 TYR A 41 -13.397 4.833 1.554 1.00 0.00 C ATOM 562 CE2 TYR A 41 -14.085 3.555 3.453 1.00 0.00 C ATOM 563 CZ TYR A 41 -14.318 4.017 2.176 1.00 0.00 C ATOM 564 OH TYR A 41 -15.475 3.659 1.519 1.00 0.00 O ATOM 0 H TYR A 41 -9.917 3.099 5.393 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.596 4.045 2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -10.846 4.967 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.528 6.185 4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.518 5.824 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.747 3.547 5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.581 5.195 0.553 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.808 2.916 3.939 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.014 3.080 2.098 1.00 0.00 H new ATOM 574 N THR A 42 -7.580 5.196 5.014 1.00 0.00 N ATOM 575 CA THR A 42 -6.324 5.908 5.185 1.00 0.00 C ATOM 576 C THR A 42 -5.207 5.236 4.394 1.00 0.00 C ATOM 577 O THR A 42 -4.339 5.900 3.818 1.00 0.00 O ATOM 578 CB THR A 42 -5.927 5.940 6.669 1.00 0.00 C ATOM 579 OG1 THR A 42 -7.031 6.404 7.450 1.00 0.00 O ATOM 580 CG2 THR A 42 -4.725 6.839 6.895 1.00 0.00 C ATOM 0 H THR A 42 -7.897 4.693 5.843 1.00 0.00 H new ATOM 0 HA THR A 42 -6.466 6.924 4.817 1.00 0.00 H new ATOM 0 HB THR A 42 -5.658 4.929 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.726 5.713 7.477 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.467 6.842 7.954 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.879 6.468 6.316 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.965 7.854 6.577 1.00 0.00 H new ATOM 588 N LEU A 43 -5.263 3.915 4.328 1.00 0.00 N ATOM 589 CA LEU A 43 -4.204 3.152 3.700 1.00 0.00 C ATOM 590 C LEU A 43 -4.447 3.038 2.204 1.00 0.00 C ATOM 591 O LEU A 43 -3.546 2.673 1.461 1.00 0.00 O ATOM 592 CB LEU A 43 -4.083 1.752 4.327 1.00 0.00 C ATOM 593 CG LEU A 43 -3.002 1.576 5.414 1.00 0.00 C ATOM 594 CD1 LEU A 43 -3.157 2.620 6.510 1.00 0.00 C ATOM 595 CD2 LEU A 43 -3.084 0.181 6.011 1.00 0.00 C ATOM 0 H LEU A 43 -6.029 3.354 4.701 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.266 3.681 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.048 1.487 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.884 1.037 3.529 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.026 1.710 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.383 2.474 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.061 3.617 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.138 2.518 6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.317 0.067 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.067 0.034 6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.927 -0.560 5.227 1.00 0.00 H new ATOM 607 N LEU A 44 -5.651 3.376 1.742 1.00 0.00 N ATOM 608 CA LEU A 44 -5.937 3.298 0.321 1.00 0.00 C ATOM 609 C LEU A 44 -5.422 4.550 -0.377 1.00 0.00 C ATOM 610 O LEU A 44 -4.810 4.464 -1.432 1.00 0.00 O ATOM 611 CB LEU A 44 -7.447 3.068 0.059 1.00 0.00 C ATOM 612 CG LEU A 44 -8.343 4.309 -0.125 1.00 0.00 C ATOM 613 CD1 LEU A 44 -8.183 4.917 -1.515 1.00 0.00 C ATOM 614 CD2 LEU A 44 -9.802 3.950 0.083 1.00 0.00 C ATOM 0 H LEU A 44 -6.425 3.699 2.322 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.416 2.436 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.541 2.451 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.846 2.487 0.890 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.029 5.041 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.830 5.789 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.146 5.217 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.459 4.179 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.418 4.839 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.097 3.191 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.941 3.561 1.092 1.00 0.00 H new ATOM 626 N ASP A 45 -5.636 5.712 0.231 1.00 0.00 N ATOM 627 CA ASP A 45 -5.234 6.971 -0.390 1.00 0.00 C ATOM 628 C ASP A 45 -3.725 7.102 -0.405 1.00 0.00 C ATOM 629 O ASP A 45 -3.155 7.752 -1.279 1.00 0.00 O ATOM 630 CB ASP A 45 -5.860 8.158 0.345 1.00 0.00 C ATOM 631 CG ASP A 45 -5.240 9.488 -0.053 1.00 0.00 C ATOM 632 OD1 ASP A 45 -5.488 9.945 -1.185 1.00 0.00 O ATOM 633 OD2 ASP A 45 -4.494 10.073 0.761 1.00 0.00 O ATOM 0 H ASP A 45 -6.081 5.810 1.144 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.592 6.971 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.930 8.184 0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.746 8.016 1.420 1.00 0.00 H new ATOM 638 N PHE A 46 -3.072 6.428 0.518 1.00 0.00 N ATOM 639 CA PHE A 46 -1.626 6.427 0.554 1.00 0.00 C ATOM 640 C PHE A 46 -1.072 5.548 -0.547 1.00 0.00 C ATOM 641 O PHE A 46 -0.089 5.894 -1.197 1.00 0.00 O ATOM 642 CB PHE A 46 -1.153 5.892 1.902 1.00 0.00 C ATOM 643 CG PHE A 46 0.330 5.956 2.100 1.00 0.00 C ATOM 644 CD1 PHE A 46 0.919 7.093 2.623 1.00 0.00 C ATOM 645 CD2 PHE A 46 1.136 4.880 1.765 1.00 0.00 C ATOM 646 CE1 PHE A 46 2.284 7.155 2.811 1.00 0.00 C ATOM 647 CE2 PHE A 46 2.500 4.938 1.949 1.00 0.00 C ATOM 648 CZ PHE A 46 3.074 6.078 2.472 1.00 0.00 C ATOM 0 H PHE A 46 -3.518 5.876 1.251 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.271 7.447 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.639 6.458 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.478 4.857 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.304 7.941 2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.690 3.986 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.733 8.046 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.118 4.093 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.143 6.127 2.616 1.00 0.00 H new ATOM 658 N ILE A 47 -1.713 4.426 -0.783 1.00 0.00 N ATOM 659 CA ILE A 47 -1.216 3.514 -1.786 1.00 0.00 C ATOM 660 C ILE A 47 -1.613 3.985 -3.183 1.00 0.00 C ATOM 661 O ILE A 47 -0.877 3.792 -4.149 1.00 0.00 O ATOM 662 CB ILE A 47 -1.688 2.074 -1.525 1.00 0.00 C ATOM 663 CG1 ILE A 47 -3.214 1.986 -1.576 1.00 0.00 C ATOM 664 CG2 ILE A 47 -1.175 1.624 -0.168 1.00 0.00 C ATOM 665 CD1 ILE A 47 -3.767 0.611 -1.273 1.00 0.00 C ATOM 0 H ILE A 47 -2.563 4.127 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.128 3.510 -1.726 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.291 1.419 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.632 2.698 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.551 2.291 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.505 0.603 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.086 1.661 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.566 2.285 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.855 0.636 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.382 -0.104 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.463 0.309 -0.271 1.00 0.00 H new ATOM 677 N GLN A 48 -2.761 4.633 -3.270 1.00 0.00 N ATOM 678 CA GLN A 48 -3.151 5.348 -4.465 1.00 0.00 C ATOM 679 C GLN A 48 -2.073 6.358 -4.838 1.00 0.00 C ATOM 680 O GLN A 48 -1.443 6.253 -5.871 1.00 0.00 O ATOM 681 CB GLN A 48 -4.473 6.080 -4.219 1.00 0.00 C ATOM 682 CG GLN A 48 -5.679 5.165 -4.092 1.00 0.00 C ATOM 683 CD GLN A 48 -5.963 4.380 -5.354 1.00 0.00 C ATOM 684 OE1 GLN A 48 -5.715 4.852 -6.462 1.00 0.00 O ATOM 685 NE2 GLN A 48 -6.480 3.175 -5.193 1.00 0.00 N ATOM 0 H GLN A 48 -3.445 4.677 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.276 4.637 -5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.383 6.672 -3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.646 6.779 -5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.516 4.470 -3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.555 5.761 -3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.670 2.823 -4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.689 2.597 -6.007 1.00 0.00 H new ATOM 694 N LYS A 49 -1.793 7.250 -3.912 1.00 0.00 N ATOM 695 CA LYS A 49 -1.024 8.466 -4.171 1.00 0.00 C ATOM 696 C LYS A 49 0.496 8.215 -4.238 1.00 0.00 C ATOM 697 O LYS A 49 1.285 9.147 -4.385 1.00 0.00 O ATOM 698 CB LYS A 49 -1.426 9.474 -3.084 1.00 0.00 C ATOM 699 CG LYS A 49 -0.678 10.795 -3.065 1.00 0.00 C ATOM 700 CD LYS A 49 -1.374 11.805 -2.152 1.00 0.00 C ATOM 701 CE LYS A 49 -1.819 11.176 -0.833 1.00 0.00 C ATOM 702 NZ LYS A 49 -2.656 12.100 -0.025 1.00 0.00 N ATOM 0 H LYS A 49 -2.094 7.157 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.256 8.863 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.489 9.687 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.296 8.996 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.344 10.633 -2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.615 11.196 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.697 12.635 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.241 12.220 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.381 10.265 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.941 10.886 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.452 11.575 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.081 12.513 0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.021 12.860 -0.634 1.00 0.00 H new ATOM 716 N HIS A 50 0.933 6.963 -4.084 1.00 0.00 N ATOM 717 CA HIS A 50 2.315 6.664 -4.490 1.00 0.00 C ATOM 718 C HIS A 50 2.424 5.646 -5.626 1.00 0.00 C ATOM 719 O HIS A 50 3.532 5.341 -6.059 1.00 0.00 O ATOM 720 CB HIS A 50 3.134 6.185 -3.292 1.00 0.00 C ATOM 721 CG HIS A 50 3.120 7.158 -2.163 1.00 0.00 C ATOM 722 ND1 HIS A 50 2.157 7.142 -1.183 1.00 0.00 N ATOM 723 CD2 HIS A 50 3.915 8.217 -1.888 1.00 0.00 C ATOM 724 CE1 HIS A 50 2.352 8.142 -0.360 1.00 0.00 C ATOM 725 NE2 HIS A 50 3.410 8.812 -0.760 1.00 0.00 N ATOM 0 H HIS A 50 0.395 6.183 -3.707 1.00 0.00 H new ATOM 0 HA HIS A 50 2.717 7.602 -4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.742 5.228 -2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.164 6.013 -3.606 1.00 0.00 H new ATOM 0 HD1 HIS A 50 1.405 6.456 -1.108 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.782 8.534 -2.449 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.746 8.377 0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.793 9.640 -0.305 1.00 0.00 H new ATOM 734 N LEU A 51 1.311 5.115 -6.116 1.00 0.00 N ATOM 735 CA LEU A 51 1.376 4.216 -7.273 1.00 0.00 C ATOM 736 C LEU A 51 0.529 4.737 -8.429 1.00 0.00 C ATOM 737 O LEU A 51 0.949 4.718 -9.585 1.00 0.00 O ATOM 738 CB LEU A 51 0.904 2.789 -6.937 1.00 0.00 C ATOM 739 CG LEU A 51 1.816 1.935 -6.034 1.00 0.00 C ATOM 740 CD1 LEU A 51 3.246 1.885 -6.560 1.00 0.00 C ATOM 741 CD2 LEU A 51 1.796 2.436 -4.607 1.00 0.00 C ATOM 0 H LEU A 51 0.375 5.281 -5.747 1.00 0.00 H new ATOM 0 HA LEU A 51 2.427 4.183 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.072 2.861 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.760 2.252 -7.875 1.00 0.00 H new ATOM 0 HG LEU A 51 1.419 0.920 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.857 1.274 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.251 1.451 -7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.654 2.895 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.448 1.814 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.146 3.468 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.779 2.388 -4.219 1.00 0.00 H new ATOM 753 N ASN A 52 -0.660 5.214 -8.105 1.00 0.00 N ATOM 754 CA ASN A 52 -1.685 5.484 -9.104 1.00 0.00 C ATOM 755 C ASN A 52 -2.190 6.926 -9.065 1.00 0.00 C ATOM 756 O ASN A 52 -2.755 7.417 -10.043 1.00 0.00 O ATOM 757 CB ASN A 52 -2.839 4.505 -8.901 1.00 0.00 C ATOM 758 CG ASN A 52 -2.810 3.384 -9.925 1.00 0.00 C ATOM 759 OD1 ASN A 52 -3.193 2.251 -9.639 1.00 0.00 O ATOM 760 ND2 ASN A 52 -2.370 3.695 -11.137 1.00 0.00 N ATOM 0 H ASN A 52 -0.943 5.425 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.239 5.348 -10.089 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.786 4.083 -7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.786 5.039 -8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.342 2.984 -11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.060 4.646 -11.339 1.00 0.00 H new ATOM 767 N LYS A 53 -1.977 7.599 -7.953 1.00 0.00 N ATOM 768 CA LYS A 53 -2.317 9.002 -7.818 1.00 0.00 C ATOM 769 C LYS A 53 -1.044 9.834 -7.787 1.00 0.00 C ATOM 770 O LYS A 53 -0.419 9.919 -6.721 1.00 0.00 O ATOM 771 CB LYS A 53 -3.093 9.246 -6.527 1.00 0.00 C ATOM 772 CG LYS A 53 -4.564 9.536 -6.725 1.00 0.00 C ATOM 773 CD LYS A 53 -5.156 10.154 -5.464 1.00 0.00 C ATOM 774 CE LYS A 53 -5.848 9.122 -4.599 1.00 0.00 C ATOM 775 NZ LYS A 53 -6.608 9.750 -3.488 1.00 0.00 N ATOM 776 OXT LYS A 53 -0.674 10.392 -8.842 1.00 0.00 O ATOM 0 H LYS A 53 -1.563 7.189 -7.116 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.936 9.289 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.991 8.370 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.639 10.083 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.698 10.214 -7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.093 8.615 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.364 10.636 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.868 10.932 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.526 8.529 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.107 8.436 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.397 9.130 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.978 9.891 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.982 10.669 -3.799 1.00 0.00 H new ATOM 811 N VAL B 2 8.093 3.852 13.803 1.00 0.00 N ATOM 812 CA VAL B 2 7.845 2.696 14.655 1.00 0.00 C ATOM 813 C VAL B 2 7.767 1.418 13.819 1.00 0.00 C ATOM 814 O VAL B 2 7.739 0.305 14.347 1.00 0.00 O ATOM 815 CB VAL B 2 6.539 2.885 15.468 1.00 0.00 C ATOM 816 CG1 VAL B 2 5.318 2.875 14.557 1.00 0.00 C ATOM 817 CG2 VAL B 2 6.412 1.834 16.564 1.00 0.00 C ATOM 0 HA VAL B 2 8.677 2.605 15.353 1.00 0.00 H new ATOM 0 HB VAL B 2 6.589 3.862 15.949 1.00 0.00 H new ATOM 0 HG11 VAL B 2 4.417 3.010 15.155 1.00 0.00 H new ATOM 0 HG12 VAL B 2 5.398 3.686 13.833 1.00 0.00 H new ATOM 0 HG13 VAL B 2 5.265 1.922 14.030 1.00 0.00 H new ATOM 0 HG21 VAL B 2 5.486 1.994 17.116 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.400 0.840 16.116 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.259 1.915 17.245 1.00 0.00 H new ATOM 827 N ILE B 3 7.760 1.585 12.507 1.00 0.00 N ATOM 828 CA ILE B 3 7.707 0.450 11.602 1.00 0.00 C ATOM 829 C ILE B 3 8.898 0.476 10.653 1.00 0.00 C ATOM 830 O ILE B 3 9.299 1.538 10.175 1.00 0.00 O ATOM 831 CB ILE B 3 6.387 0.423 10.789 1.00 0.00 C ATOM 832 CG1 ILE B 3 6.259 -0.900 10.023 1.00 0.00 C ATOM 833 CG2 ILE B 3 6.312 1.606 9.827 1.00 0.00 C ATOM 834 CD1 ILE B 3 4.939 -1.058 9.299 1.00 0.00 C ATOM 0 H ILE B 3 7.790 2.494 12.046 1.00 0.00 H new ATOM 0 HA ILE B 3 7.745 -0.454 12.209 1.00 0.00 H new ATOM 0 HB ILE B 3 5.555 0.504 11.489 1.00 0.00 H new ATOM 0 HG12 ILE B 3 7.071 -0.971 9.299 1.00 0.00 H new ATOM 0 HG13 ILE B 3 6.382 -1.728 10.722 1.00 0.00 H new ATOM 0 HG21 ILE B 3 5.376 1.563 9.269 1.00 0.00 H new ATOM 0 HG22 ILE B 3 6.355 2.537 10.392 1.00 0.00 H new ATOM 0 HG23 ILE B 3 7.151 1.564 9.132 1.00 0.00 H new ATOM 0 HD11 ILE B 3 4.921 -2.016 8.780 1.00 0.00 H new ATOM 0 HD12 ILE B 3 4.122 -1.020 10.020 1.00 0.00 H new ATOM 0 HD13 ILE B 3 4.822 -0.251 8.575 1.00 0.00 H new ATOM 846 N ALA B 4 9.494 -0.682 10.433 1.00 0.00 N ATOM 847 CA ALA B 4 10.539 -0.817 9.440 1.00 0.00 C ATOM 848 C ALA B 4 10.106 -1.811 8.374 1.00 0.00 C ATOM 849 O ALA B 4 9.157 -2.570 8.573 1.00 0.00 O ATOM 850 CB ALA B 4 11.840 -1.254 10.091 1.00 0.00 C ATOM 0 H ALA B 4 9.270 -1.543 10.931 1.00 0.00 H new ATOM 0 HA ALA B 4 10.710 0.151 8.968 1.00 0.00 H new ATOM 0 HB1 ALA B 4 12.614 -1.350 9.329 1.00 0.00 H new ATOM 0 HB2 ALA B 4 12.146 -0.511 10.827 1.00 0.00 H new ATOM 0 HB3 ALA B 4 11.695 -2.215 10.584 1.00 0.00 H new ATOM 856 N THR B 5 10.796 -1.805 7.240 1.00 0.00 N ATOM 857 CA THR B 5 10.485 -2.724 6.155 1.00 0.00 C ATOM 858 C THR B 5 10.761 -4.166 6.587 1.00 0.00 C ATOM 859 O THR B 5 10.296 -5.118 5.962 1.00 0.00 O ATOM 860 CB THR B 5 11.306 -2.381 4.893 1.00 0.00 C ATOM 861 OG1 THR B 5 11.224 -0.972 4.633 1.00 0.00 O ATOM 862 CG2 THR B 5 10.795 -3.144 3.677 1.00 0.00 C ATOM 0 H THR B 5 11.574 -1.174 7.049 1.00 0.00 H new ATOM 0 HA THR B 5 9.427 -2.623 5.914 1.00 0.00 H new ATOM 0 HB THR B 5 12.341 -2.671 5.074 1.00 0.00 H new ATOM 0 HG1 THR B 5 11.747 -0.756 3.833 1.00 0.00 H new ATOM 0 HG21 THR B 5 11.393 -2.881 2.805 1.00 0.00 H new ATOM 0 HG22 THR B 5 10.873 -4.216 3.861 1.00 0.00 H new ATOM 0 HG23 THR B 5 9.753 -2.882 3.495 1.00 0.00 H new ATOM 870 N ASP B 6 11.470 -4.310 7.702 1.00 0.00 N ATOM 871 CA ASP B 6 11.851 -5.617 8.220 1.00 0.00 C ATOM 872 C ASP B 6 10.712 -6.231 9.027 1.00 0.00 C ATOM 873 O ASP B 6 10.796 -7.380 9.459 1.00 0.00 O ATOM 874 CB ASP B 6 13.098 -5.498 9.100 1.00 0.00 C ATOM 875 CG ASP B 6 14.322 -5.036 8.334 1.00 0.00 C ATOM 876 OD1 ASP B 6 14.481 -3.810 8.138 1.00 0.00 O ATOM 877 OD2 ASP B 6 15.139 -5.891 7.939 1.00 0.00 O ATOM 0 H ASP B 6 11.795 -3.527 8.269 1.00 0.00 H new ATOM 0 HA ASP B 6 12.071 -6.266 7.372 1.00 0.00 H new ATOM 0 HB2 ASP B 6 12.898 -4.798 9.911 1.00 0.00 H new ATOM 0 HB3 ASP B 6 13.306 -6.465 9.558 1.00 0.00 H new ATOM 882 N ASP B 7 9.647 -5.460 9.233 1.00 0.00 N ATOM 883 CA ASP B 7 8.464 -5.970 9.924 1.00 0.00 C ATOM 884 C ASP B 7 7.386 -6.326 8.914 1.00 0.00 C ATOM 885 O ASP B 7 6.295 -6.768 9.275 1.00 0.00 O ATOM 886 CB ASP B 7 7.895 -4.911 10.880 1.00 0.00 C ATOM 887 CG ASP B 7 8.888 -4.413 11.912 1.00 0.00 C ATOM 888 OD1 ASP B 7 8.972 -5.019 13.001 1.00 0.00 O ATOM 889 OD2 ASP B 7 9.561 -3.392 11.654 1.00 0.00 O ATOM 0 H ASP B 7 9.578 -4.487 8.934 1.00 0.00 H new ATOM 0 HA ASP B 7 8.761 -6.853 10.490 1.00 0.00 H new ATOM 0 HB2 ASP B 7 7.538 -4.063 10.295 1.00 0.00 H new ATOM 0 HB3 ASP B 7 7.030 -5.329 11.395 1.00 0.00 H new ATOM 894 N LEU B 8 7.697 -6.130 7.643 1.00 0.00 N ATOM 895 CA LEU B 8 6.756 -6.424 6.574 1.00 0.00 C ATOM 896 C LEU B 8 7.358 -7.407 5.580 1.00 0.00 C ATOM 897 O LEU B 8 6.643 -8.189 4.948 1.00 0.00 O ATOM 898 CB LEU B 8 6.350 -5.133 5.868 1.00 0.00 C ATOM 899 CG LEU B 8 5.579 -4.145 6.739 1.00 0.00 C ATOM 900 CD1 LEU B 8 5.319 -2.854 5.984 1.00 0.00 C ATOM 901 CD2 LEU B 8 4.269 -4.756 7.200 1.00 0.00 C ATOM 0 H LEU B 8 8.596 -5.768 7.326 1.00 0.00 H new ATOM 0 HA LEU B 8 5.868 -6.884 7.009 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.248 -4.642 5.493 1.00 0.00 H new ATOM 0 HB3 LEU B 8 5.739 -5.386 5.001 1.00 0.00 H new ATOM 0 HG LEU B 8 6.186 -3.916 7.615 1.00 0.00 H new ATOM 0 HD11 LEU B 8 4.768 -2.164 6.623 1.00 0.00 H new ATOM 0 HD12 LEU B 8 6.269 -2.403 5.696 1.00 0.00 H new ATOM 0 HD13 LEU B 8 4.733 -3.067 5.090 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.731 -4.039 7.820 1.00 0.00 H new ATOM 0 HD22 LEU B 8 3.662 -5.012 6.332 1.00 0.00 H new ATOM 0 HD23 LEU B 8 4.472 -5.657 7.780 1.00 0.00 H new ATOM 913 N GLU B 9 8.679 -7.387 5.487 1.00 0.00 N ATOM 914 CA GLU B 9 9.406 -8.265 4.589 1.00 0.00 C ATOM 915 C GLU B 9 10.744 -8.632 5.211 1.00 0.00 C ATOM 916 O GLU B 9 11.310 -7.875 5.999 1.00 0.00 O ATOM 917 CB GLU B 9 9.615 -7.641 3.198 1.00 0.00 C ATOM 918 CG GLU B 9 8.328 -7.492 2.397 1.00 0.00 C ATOM 919 CD GLU B 9 8.551 -7.432 0.896 1.00 0.00 C ATOM 920 OE1 GLU B 9 8.998 -6.384 0.392 1.00 0.00 O ATOM 921 OE2 GLU B 9 8.235 -8.429 0.198 1.00 0.00 O ATOM 0 H GLU B 9 9.274 -6.763 6.031 1.00 0.00 H new ATOM 0 HA GLU B 9 8.805 -9.163 4.444 1.00 0.00 H new ATOM 0 HB2 GLU B 9 10.076 -6.660 3.315 1.00 0.00 H new ATOM 0 HB3 GLU B 9 10.315 -8.257 2.634 1.00 0.00 H new ATOM 0 HG2 GLU B 9 7.669 -8.330 2.625 1.00 0.00 H new ATOM 0 HG3 GLU B 9 7.814 -6.585 2.716 1.00 0.00 H new ATOM 928 N VAL B 10 11.226 -9.802 4.861 1.00 0.00 N ATOM 929 CA VAL B 10 12.469 -10.321 5.384 1.00 0.00 C ATOM 930 C VAL B 10 13.314 -10.839 4.229 1.00 0.00 C ATOM 931 O VAL B 10 12.780 -11.329 3.234 1.00 0.00 O ATOM 932 CB VAL B 10 12.198 -11.449 6.416 1.00 0.00 C ATOM 933 CG1 VAL B 10 11.325 -12.540 5.815 1.00 0.00 C ATOM 934 CG2 VAL B 10 13.498 -12.035 6.953 1.00 0.00 C ATOM 0 H VAL B 10 10.763 -10.426 4.200 1.00 0.00 H new ATOM 0 HA VAL B 10 13.008 -9.525 5.897 1.00 0.00 H new ATOM 0 HB VAL B 10 11.661 -11.004 7.254 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.151 -13.317 6.559 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.371 -12.113 5.506 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.827 -12.972 4.949 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.272 -12.822 7.673 1.00 0.00 H new ATOM 0 HG22 VAL B 10 14.077 -12.452 6.129 1.00 0.00 H new ATOM 0 HG23 VAL B 10 14.076 -11.251 7.442 1.00 0.00 H new ATOM 944 N ALA B 11 14.625 -10.704 4.343 1.00 0.00 N ATOM 945 CA ALA B 11 15.524 -11.125 3.283 1.00 0.00 C ATOM 946 C ALA B 11 15.448 -12.631 3.073 1.00 0.00 C ATOM 947 O ALA B 11 15.440 -13.408 4.029 1.00 0.00 O ATOM 948 CB ALA B 11 16.942 -10.690 3.625 1.00 0.00 C ATOM 0 H ALA B 11 15.090 -10.306 5.159 1.00 0.00 H new ATOM 0 HA ALA B 11 15.223 -10.652 2.348 1.00 0.00 H new ATOM 0 HB1 ALA B 11 17.620 -11.004 2.832 1.00 0.00 H new ATOM 0 HB2 ALA B 11 16.976 -9.605 3.723 1.00 0.00 H new ATOM 0 HB3 ALA B 11 17.247 -11.149 4.566 1.00 0.00 H new ATOM 954 N CYS B 12 15.367 -13.021 1.800 1.00 0.00 N ATOM 955 CA CYS B 12 15.107 -14.395 1.397 1.00 0.00 C ATOM 956 C CYS B 12 16.146 -15.388 1.932 1.00 0.00 C ATOM 957 O CYS B 12 17.215 -14.990 2.385 1.00 0.00 O ATOM 958 CB CYS B 12 15.094 -14.454 -0.127 1.00 0.00 C ATOM 959 SG CYS B 12 13.611 -15.211 -0.815 1.00 0.00 S ATOM 0 H CYS B 12 15.482 -12.381 1.014 1.00 0.00 H new ATOM 0 HA CYS B 12 14.146 -14.687 1.820 1.00 0.00 H new ATOM 0 HB2 CYS B 12 15.190 -13.442 -0.521 1.00 0.00 H new ATOM 0 HB3 CYS B 12 15.966 -15.012 -0.467 1.00 0.00 H new ATOM 0 HG CYS B 12 13.504 -14.893 -2.071 1.00 0.00 H new ATOM 964 N PRO B 13 15.845 -16.699 1.886 1.00 0.00 N ATOM 965 CA PRO B 13 16.795 -17.751 2.285 1.00 0.00 C ATOM 966 C PRO B 13 18.173 -17.635 1.614 1.00 0.00 C ATOM 967 O PRO B 13 19.193 -17.998 2.199 1.00 0.00 O ATOM 968 CB PRO B 13 16.095 -19.023 1.800 1.00 0.00 C ATOM 969 CG PRO B 13 14.647 -18.719 1.906 1.00 0.00 C ATOM 970 CD PRO B 13 14.525 -17.269 1.511 1.00 0.00 C ATOM 0 HA PRO B 13 17.010 -17.708 3.353 1.00 0.00 H new ATOM 0 HB2 PRO B 13 16.375 -19.263 0.774 1.00 0.00 H new ATOM 0 HB3 PRO B 13 16.365 -19.882 2.414 1.00 0.00 H new ATOM 0 HG2 PRO B 13 14.060 -19.359 1.247 1.00 0.00 H new ATOM 0 HG3 PRO B 13 14.282 -18.884 2.920 1.00 0.00 H new ATOM 0 HD2 PRO B 13 14.327 -17.158 0.445 1.00 0.00 H new ATOM 0 HD3 PRO B 13 13.709 -16.776 2.039 1.00 0.00 H new ATOM 978 N LYS B 14 18.195 -17.105 0.390 1.00 0.00 N ATOM 979 CA LYS B 14 19.380 -17.229 -0.455 1.00 0.00 C ATOM 980 C LYS B 14 19.560 -16.075 -1.455 1.00 0.00 C ATOM 981 O LYS B 14 20.689 -15.731 -1.799 1.00 0.00 O ATOM 982 CB LYS B 14 19.306 -18.554 -1.225 1.00 0.00 C ATOM 983 CG LYS B 14 20.430 -18.758 -2.236 1.00 0.00 C ATOM 984 CD LYS B 14 20.171 -19.980 -3.112 1.00 0.00 C ATOM 985 CE LYS B 14 21.269 -20.174 -4.149 1.00 0.00 C ATOM 986 NZ LYS B 14 22.579 -20.474 -3.521 1.00 0.00 N ATOM 0 H LYS B 14 17.419 -16.594 -0.032 1.00 0.00 H new ATOM 0 HA LYS B 14 20.242 -17.196 0.211 1.00 0.00 H new ATOM 0 HB2 LYS B 14 19.322 -19.377 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS B 14 18.350 -18.604 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS B 14 20.524 -17.871 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS B 14 21.377 -18.878 -1.711 1.00 0.00 H new ATOM 0 HD2 LYS B 14 20.102 -20.869 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS B 14 19.211 -19.870 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS B 14 20.994 -20.987 -4.820 1.00 0.00 H new ATOM 0 HE3 LYS B 14 21.356 -19.274 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 23.262 -20.748 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 22.927 -19.630 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 22.468 -21.255 -2.843 1.00 0.00 H new ATOM 1000 N CYS B 15 18.477 -15.466 -1.938 1.00 0.00 N ATOM 1001 CA CYS B 15 18.607 -14.531 -3.061 1.00 0.00 C ATOM 1002 C CYS B 15 18.225 -13.097 -2.721 1.00 0.00 C ATOM 1003 O CYS B 15 17.646 -12.389 -3.548 1.00 0.00 O ATOM 1004 CB CYS B 15 17.675 -15.006 -4.166 1.00 0.00 C ATOM 1005 SG CYS B 15 15.951 -15.154 -3.622 1.00 0.00 S ATOM 0 H CYS B 15 17.529 -15.595 -1.585 1.00 0.00 H new ATOM 0 HA CYS B 15 19.658 -14.523 -3.351 1.00 0.00 H new ATOM 0 HB2 CYS B 15 17.728 -14.310 -5.003 1.00 0.00 H new ATOM 0 HB3 CYS B 15 18.019 -15.973 -4.533 1.00 0.00 H new ATOM 0 HG CYS B 15 15.242 -14.208 -4.164 1.00 0.00 H new ATOM 1010 N GLU B 16 18.660 -12.637 -1.573 1.00 0.00 N ATOM 1011 CA GLU B 16 18.342 -11.303 -1.093 1.00 0.00 C ATOM 1012 C GLU B 16 19.422 -10.359 -1.559 1.00 0.00 C ATOM 1013 O GLU B 16 19.685 -9.328 -0.945 1.00 0.00 O ATOM 1014 CB GLU B 16 18.305 -11.285 0.440 1.00 0.00 C ATOM 1015 CG GLU B 16 18.392 -12.650 1.097 1.00 0.00 C ATOM 1016 CD GLU B 16 19.822 -13.147 1.202 1.00 0.00 C ATOM 1017 OE1 GLU B 16 20.383 -13.563 0.170 1.00 0.00 O ATOM 1018 OE2 GLU B 16 20.394 -13.107 2.308 1.00 0.00 O ATOM 0 H GLU B 16 19.248 -13.176 -0.938 1.00 0.00 H new ATOM 0 HA GLU B 16 17.368 -11.003 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU B 16 19.129 -10.671 0.802 1.00 0.00 H new ATOM 0 HB3 GLU B 16 17.382 -10.801 0.761 1.00 0.00 H new ATOM 0 HG2 GLU B 16 17.953 -12.600 2.093 1.00 0.00 H new ATOM 0 HG3 GLU B 16 17.802 -13.365 0.524 1.00 0.00 H new ATOM 1025 N ARG B 17 20.032 -10.722 -2.672 1.00 0.00 N ATOM 1026 CA ARG B 17 21.285 -10.150 -3.090 1.00 0.00 C ATOM 1027 C ARG B 17 21.295 -10.134 -4.618 1.00 0.00 C ATOM 1028 O ARG B 17 21.934 -9.295 -5.250 1.00 0.00 O ATOM 1029 CB ARG B 17 22.454 -10.974 -2.525 1.00 0.00 C ATOM 1030 CG ARG B 17 22.441 -12.438 -2.949 1.00 0.00 C ATOM 1031 CD ARG B 17 23.376 -13.279 -2.094 1.00 0.00 C ATOM 1032 NE ARG B 17 22.897 -13.406 -0.714 1.00 0.00 N ATOM 1033 CZ ARG B 17 23.687 -13.500 0.356 1.00 0.00 C ATOM 1034 NH1 ARG B 17 25.010 -13.505 0.218 1.00 0.00 N ATOM 1035 NH2 ARG B 17 23.147 -13.604 1.567 1.00 0.00 N ATOM 0 H ARG B 17 19.664 -11.427 -3.311 1.00 0.00 H new ATOM 0 HA ARG B 17 21.399 -9.134 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG B 17 23.393 -10.522 -2.845 1.00 0.00 H new ATOM 0 HB3 ARG B 17 22.430 -10.921 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG B 17 21.427 -12.830 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG B 17 22.735 -12.517 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG B 17 23.476 -14.271 -2.535 1.00 0.00 H new ATOM 0 HD3 ARG B 17 24.369 -12.829 -2.093 1.00 0.00 H new ATOM 0 HE ARG B 17 21.889 -13.424 -0.562 1.00 0.00 H new ATOM 0 HH11 ARG B 17 25.426 -13.437 -0.711 1.00 0.00 H new ATOM 0 HH12 ARG B 17 25.608 -13.577 1.041 1.00 0.00 H new ATOM 0 HH21 ARG B 17 22.133 -13.612 1.674 1.00 0.00 H new ATOM 0 HH22 ARG B 17 23.747 -13.676 2.389 1.00 0.00 H new ATOM 1049 N ALA B 18 20.542 -11.083 -5.195 1.00 0.00 N ATOM 1050 CA ALA B 18 20.519 -11.267 -6.644 1.00 0.00 C ATOM 1051 C ALA B 18 19.099 -11.267 -7.200 1.00 0.00 C ATOM 1052 O ALA B 18 18.850 -10.764 -8.294 1.00 0.00 O ATOM 1053 CB ALA B 18 21.233 -12.557 -7.017 1.00 0.00 C ATOM 0 H ALA B 18 19.946 -11.729 -4.678 1.00 0.00 H new ATOM 0 HA ALA B 18 21.041 -10.421 -7.091 1.00 0.00 H new ATOM 0 HB1 ALA B 18 21.211 -12.685 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA B 18 22.268 -12.511 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA B 18 20.733 -13.400 -6.541 1.00 0.00 H new ATOM 1059 N GLY B 19 18.166 -11.817 -6.430 1.00 0.00 N ATOM 1060 CA GLY B 19 16.788 -11.882 -6.875 1.00 0.00 C ATOM 1061 C GLY B 19 16.475 -13.149 -7.650 1.00 0.00 C ATOM 1062 O GLY B 19 15.452 -13.230 -8.321 1.00 0.00 O ATOM 0 H GLY B 19 18.340 -12.218 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY B 19 16.129 -11.820 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY B 19 16.573 -11.017 -7.502 1.00 0.00 H new ATOM 1066 N GLU B 20 17.316 -14.164 -7.498 1.00 0.00 N ATOM 1067 CA GLU B 20 17.179 -15.387 -8.282 1.00 0.00 C ATOM 1068 C GLU B 20 17.690 -16.589 -7.497 1.00 0.00 C ATOM 1069 O GLU B 20 18.469 -16.444 -6.555 1.00 0.00 O ATOM 1070 CB GLU B 20 17.932 -15.276 -9.612 1.00 0.00 C ATOM 1071 CG GLU B 20 19.403 -14.929 -9.451 1.00 0.00 C ATOM 1072 CD GLU B 20 20.216 -15.211 -10.697 1.00 0.00 C ATOM 1073 OE1 GLU B 20 20.129 -14.430 -11.668 1.00 0.00 O ATOM 1074 OE2 GLU B 20 20.951 -16.221 -10.709 1.00 0.00 O ATOM 0 H GLU B 20 18.097 -14.166 -6.842 1.00 0.00 H new ATOM 0 HA GLU B 20 16.119 -15.527 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU B 20 17.847 -16.221 -10.148 1.00 0.00 H new ATOM 0 HB3 GLU B 20 17.453 -14.515 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU B 20 19.496 -13.874 -9.194 1.00 0.00 H new ATOM 0 HG3 GLU B 20 19.816 -15.498 -8.618 1.00 0.00 H new ATOM 1081 N ILE B 21 17.241 -17.766 -7.888 1.00 0.00 N ATOM 1082 CA ILE B 21 17.674 -19.009 -7.272 1.00 0.00 C ATOM 1083 C ILE B 21 18.187 -19.928 -8.364 1.00 0.00 C ATOM 1084 O ILE B 21 17.398 -20.451 -9.146 1.00 0.00 O ATOM 1085 CB ILE B 21 16.526 -19.728 -6.517 1.00 0.00 C ATOM 1086 CG1 ILE B 21 15.983 -18.863 -5.371 1.00 0.00 C ATOM 1087 CG2 ILE B 21 16.996 -21.078 -5.986 1.00 0.00 C ATOM 1088 CD1 ILE B 21 16.941 -18.672 -4.215 1.00 0.00 C ATOM 0 H ILE B 21 16.565 -17.889 -8.642 1.00 0.00 H new ATOM 0 HA ILE B 21 18.450 -18.772 -6.544 1.00 0.00 H new ATOM 0 HB ILE B 21 15.715 -19.894 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE B 21 15.715 -17.884 -5.768 1.00 0.00 H new ATOM 0 HG13 ILE B 21 15.066 -19.317 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE B 21 16.177 -21.567 -5.459 1.00 0.00 H new ATOM 0 HG22 ILE B 21 17.318 -21.704 -6.818 1.00 0.00 H new ATOM 0 HG23 ILE B 21 17.830 -20.929 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE B 21 16.473 -18.048 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE B 21 17.192 -19.642 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE B 21 17.850 -18.188 -4.572 1.00 0.00 H new ATOM 1100 N GLU B 22 19.498 -20.113 -8.420 1.00 0.00 N ATOM 1101 CA GLU B 22 20.105 -20.959 -9.443 1.00 0.00 C ATOM 1102 C GLU B 22 19.793 -20.438 -10.844 1.00 0.00 C ATOM 1103 O GLU B 22 19.432 -21.206 -11.734 1.00 0.00 O ATOM 1104 CB GLU B 22 19.556 -22.374 -9.288 1.00 0.00 C ATOM 1105 CG GLU B 22 20.404 -23.452 -9.932 1.00 0.00 C ATOM 1106 CD GLU B 22 20.078 -24.832 -9.405 1.00 0.00 C ATOM 1107 OE1 GLU B 22 20.529 -25.165 -8.289 1.00 0.00 O ATOM 1108 OE2 GLU B 22 19.367 -25.590 -10.096 1.00 0.00 O ATOM 0 H GLU B 22 20.162 -19.691 -7.772 1.00 0.00 H new ATOM 0 HA GLU B 22 21.188 -20.952 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU B 22 19.454 -22.596 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU B 22 18.555 -22.411 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU B 22 20.253 -23.433 -11.011 1.00 0.00 H new ATOM 0 HG3 GLU B 22 21.458 -23.237 -9.753 1.00 0.00 H new ATOM 1115 N GLY B 23 19.894 -19.129 -11.040 1.00 0.00 N ATOM 1116 CA GLY B 23 19.541 -18.555 -12.327 1.00 0.00 C ATOM 1117 C GLY B 23 18.066 -18.669 -12.623 1.00 0.00 C ATOM 1118 O GLY B 23 17.591 -18.276 -13.690 1.00 0.00 O ATOM 0 H GLY B 23 20.211 -18.459 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY B 23 19.832 -17.505 -12.345 1.00 0.00 H new ATOM 0 HA3 GLY B 23 20.106 -19.056 -13.113 1.00 0.00 H new ATOM 1122 N THR B 24 17.346 -19.202 -11.669 1.00 0.00 N ATOM 1123 CA THR B 24 15.967 -19.568 -11.856 1.00 0.00 C ATOM 1124 C THR B 24 15.051 -18.773 -10.909 1.00 0.00 C ATOM 1125 O THR B 24 15.442 -18.446 -9.787 1.00 0.00 O ATOM 1126 CB THR B 24 15.910 -21.086 -11.614 1.00 0.00 C ATOM 1127 OG1 THR B 24 16.199 -21.782 -12.831 1.00 0.00 O ATOM 1128 CG2 THR B 24 14.592 -21.565 -11.029 1.00 0.00 C ATOM 0 H THR B 24 17.704 -19.395 -10.734 1.00 0.00 H new ATOM 0 HA THR B 24 15.606 -19.329 -12.856 1.00 0.00 H new ATOM 0 HB THR B 24 16.668 -21.310 -10.863 1.00 0.00 H new ATOM 0 HG1 THR B 24 16.163 -22.748 -12.672 1.00 0.00 H new ATOM 0 HG21 THR B 24 14.628 -22.645 -10.887 1.00 0.00 H new ATOM 0 HG22 THR B 24 14.422 -21.078 -10.069 1.00 0.00 H new ATOM 0 HG23 THR B 24 13.779 -21.316 -11.711 1.00 0.00 H new ATOM 1136 N PRO B 25 13.835 -18.414 -11.380 1.00 0.00 N ATOM 1137 CA PRO B 25 12.886 -17.572 -10.630 1.00 0.00 C ATOM 1138 C PRO B 25 12.587 -18.121 -9.240 1.00 0.00 C ATOM 1139 O PRO B 25 12.221 -19.285 -9.079 1.00 0.00 O ATOM 1140 CB PRO B 25 11.620 -17.578 -11.500 1.00 0.00 C ATOM 1141 CG PRO B 25 11.797 -18.740 -12.417 1.00 0.00 C ATOM 1142 CD PRO B 25 13.273 -18.810 -12.679 1.00 0.00 C ATOM 0 HA PRO B 25 13.288 -16.574 -10.456 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.722 -17.687 -10.892 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.517 -16.646 -12.056 1.00 0.00 H new ATOM 0 HG2 PRO B 25 11.433 -19.661 -11.961 1.00 0.00 H new ATOM 0 HG3 PRO B 25 11.238 -18.600 -13.343 1.00 0.00 H new ATOM 0 HD2 PRO B 25 13.588 -19.812 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO B 25 13.578 -18.134 -13.478 1.00 0.00 H new ATOM 1150 N CYS B 26 12.740 -17.266 -8.238 1.00 0.00 N ATOM 1151 CA CYS B 26 12.669 -17.685 -6.849 1.00 0.00 C ATOM 1152 C CYS B 26 11.230 -17.865 -6.347 1.00 0.00 C ATOM 1153 O CYS B 26 10.364 -17.037 -6.624 1.00 0.00 O ATOM 1154 CB CYS B 26 13.409 -16.659 -5.998 1.00 0.00 C ATOM 1155 SG CYS B 26 13.419 -17.018 -4.209 1.00 0.00 S ATOM 0 H CYS B 26 12.916 -16.269 -8.366 1.00 0.00 H new ATOM 0 HA CYS B 26 13.138 -18.666 -6.767 1.00 0.00 H new ATOM 0 HB2 CYS B 26 14.439 -16.593 -6.347 1.00 0.00 H new ATOM 0 HB3 CYS B 26 12.955 -15.681 -6.156 1.00 0.00 H new ATOM 0 HG CYS B 26 14.456 -16.458 -3.660 1.00 0.00 H new ATOM 1160 N PRO B 27 11.003 -18.956 -5.571 1.00 0.00 N ATOM 1161 CA PRO B 27 9.702 -19.359 -5.003 1.00 0.00 C ATOM 1162 C PRO B 27 8.725 -18.220 -4.681 1.00 0.00 C ATOM 1163 O PRO B 27 7.588 -18.216 -5.155 1.00 0.00 O ATOM 1164 CB PRO B 27 10.136 -20.039 -3.705 1.00 0.00 C ATOM 1165 CG PRO B 27 11.448 -20.685 -4.010 1.00 0.00 C ATOM 1166 CD PRO B 27 12.039 -19.948 -5.199 1.00 0.00 C ATOM 0 HA PRO B 27 9.142 -19.963 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO B 27 10.234 -19.314 -2.897 1.00 0.00 H new ATOM 0 HB3 PRO B 27 9.401 -20.777 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO B 27 12.115 -20.628 -3.150 1.00 0.00 H new ATOM 0 HG3 PRO B 27 11.314 -21.742 -4.239 1.00 0.00 H new ATOM 0 HD2 PRO B 27 12.979 -19.462 -4.938 1.00 0.00 H new ATOM 0 HD3 PRO B 27 12.251 -20.629 -6.023 1.00 0.00 H new ATOM 1174 N ALA B 28 9.181 -17.250 -3.896 1.00 0.00 N ATOM 1175 CA ALA B 28 8.275 -16.265 -3.301 1.00 0.00 C ATOM 1176 C ALA B 28 8.741 -14.828 -3.533 1.00 0.00 C ATOM 1177 O ALA B 28 8.071 -13.877 -3.134 1.00 0.00 O ATOM 1178 CB ALA B 28 8.129 -16.531 -1.811 1.00 0.00 C ATOM 0 H ALA B 28 10.164 -17.122 -3.656 1.00 0.00 H new ATOM 0 HA ALA B 28 7.309 -16.373 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.454 -15.795 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.723 -17.531 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.105 -16.458 -1.331 1.00 0.00 H new ATOM 1184 N CYS B 29 9.895 -14.667 -4.162 1.00 0.00 N ATOM 1185 CA CYS B 29 10.407 -13.335 -4.458 1.00 0.00 C ATOM 1186 C CYS B 29 10.869 -13.277 -5.912 1.00 0.00 C ATOM 1187 O CYS B 29 11.920 -13.816 -6.265 1.00 0.00 O ATOM 1188 CB CYS B 29 11.547 -12.957 -3.487 1.00 0.00 C ATOM 1189 SG CYS B 29 13.139 -13.785 -3.794 1.00 0.00 S ATOM 0 H CYS B 29 10.491 -15.433 -4.475 1.00 0.00 H new ATOM 0 HA CYS B 29 9.610 -12.605 -4.319 1.00 0.00 H new ATOM 0 HB2 CYS B 29 11.702 -11.879 -3.537 1.00 0.00 H new ATOM 0 HB3 CYS B 29 11.227 -13.187 -2.471 1.00 0.00 H new ATOM 0 HG CYS B 29 12.949 -15.067 -3.897 1.00 0.00 H new ATOM 1194 N SER B 30 10.075 -12.649 -6.763 1.00 0.00 N ATOM 1195 CA SER B 30 10.360 -12.619 -8.189 1.00 0.00 C ATOM 1196 C SER B 30 11.380 -11.539 -8.558 1.00 0.00 C ATOM 1197 O SER B 30 11.149 -10.738 -9.460 1.00 0.00 O ATOM 1198 CB SER B 30 9.049 -12.411 -8.949 1.00 0.00 C ATOM 1199 OG SER B 30 8.231 -11.450 -8.295 1.00 0.00 O ATOM 0 H SER B 30 9.227 -12.152 -6.491 1.00 0.00 H new ATOM 0 HA SER B 30 10.809 -13.572 -8.470 1.00 0.00 H new ATOM 0 HB2 SER B 30 9.262 -12.082 -9.966 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.514 -13.358 -9.026 1.00 0.00 H new ATOM 0 HG SER B 30 7.399 -11.331 -8.799 1.00 0.00 H new ATOM 1205 N GLY B 31 12.514 -11.535 -7.866 1.00 0.00 N ATOM 1206 CA GLY B 31 13.577 -10.607 -8.198 1.00 0.00 C ATOM 1207 C GLY B 31 13.502 -9.320 -7.408 1.00 0.00 C ATOM 1208 O GLY B 31 13.689 -8.234 -7.957 1.00 0.00 O ATOM 0 H GLY B 31 12.715 -12.157 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY B 31 14.540 -11.084 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY B 31 13.533 -10.377 -9.263 1.00 0.00 H new ATOM 1212 N LYS B 32 13.232 -9.436 -6.115 1.00 0.00 N ATOM 1213 CA LYS B 32 13.199 -8.279 -5.234 1.00 0.00 C ATOM 1214 C LYS B 32 14.333 -8.387 -4.218 1.00 0.00 C ATOM 1215 O LYS B 32 14.980 -7.403 -3.881 1.00 0.00 O ATOM 1216 CB LYS B 32 11.876 -8.219 -4.481 1.00 0.00 C ATOM 1217 CG LYS B 32 10.654 -8.454 -5.350 1.00 0.00 C ATOM 1218 CD LYS B 32 9.378 -8.221 -4.564 1.00 0.00 C ATOM 1219 CE LYS B 32 9.411 -8.945 -3.228 1.00 0.00 C ATOM 1220 NZ LYS B 32 8.217 -8.642 -2.411 1.00 0.00 N ATOM 0 H LYS B 32 13.032 -10.323 -5.653 1.00 0.00 H new ATOM 0 HA LYS B 32 13.311 -7.378 -5.838 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.890 -8.963 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.786 -7.243 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.682 -7.787 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.667 -9.474 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.241 -7.153 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS B 32 8.523 -8.565 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS B 32 9.472 -10.020 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS B 32 10.309 -8.658 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 8.510 -8.411 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 7.712 -7.831 -2.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 7.588 -9.470 -2.395 1.00 0.00 H new ATOM 1234 N GLY B 33 14.550 -9.609 -3.722 1.00 0.00 N ATOM 1235 CA GLY B 33 15.546 -9.849 -2.716 1.00 0.00 C ATOM 1236 C GLY B 33 14.909 -10.356 -1.440 1.00 0.00 C ATOM 1237 O GLY B 33 15.404 -11.297 -0.819 1.00 0.00 O ATOM 0 H GLY B 33 14.037 -10.441 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY B 33 16.270 -10.578 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY B 33 16.094 -8.929 -2.514 1.00 0.00 H new ATOM 1241 N VAL B 34 13.761 -9.791 -1.090 1.00 0.00 N ATOM 1242 CA VAL B 34 13.094 -10.125 0.164 1.00 0.00 C ATOM 1243 C VAL B 34 11.755 -10.831 -0.060 1.00 0.00 C ATOM 1244 O VAL B 34 11.201 -10.813 -1.165 1.00 0.00 O ATOM 1245 CB VAL B 34 12.850 -8.850 1.005 1.00 0.00 C ATOM 1246 CG1 VAL B 34 14.166 -8.190 1.394 1.00 0.00 C ATOM 1247 CG2 VAL B 34 11.971 -7.866 0.247 1.00 0.00 C ATOM 0 H VAL B 34 13.271 -9.099 -1.657 1.00 0.00 H new ATOM 0 HA VAL B 34 13.757 -10.807 0.696 1.00 0.00 H new ATOM 0 HB VAL B 34 12.334 -9.147 1.918 1.00 0.00 H new ATOM 0 HG11 VAL B 34 13.964 -7.296 1.984 1.00 0.00 H new ATOM 0 HG12 VAL B 34 14.762 -8.887 1.983 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.715 -7.914 0.494 1.00 0.00 H new ATOM 0 HG21 VAL B 34 11.812 -6.976 0.856 1.00 0.00 H new ATOM 0 HG22 VAL B 34 12.460 -7.584 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL B 34 11.010 -8.331 0.026 1.00 0.00 H new ATOM 1257 N ILE B 35 11.272 -11.468 0.999 1.00 0.00 N ATOM 1258 CA ILE B 35 9.958 -12.105 1.020 1.00 0.00 C ATOM 1259 C ILE B 35 9.129 -11.563 2.180 1.00 0.00 C ATOM 1260 O ILE B 35 9.670 -11.001 3.123 1.00 0.00 O ATOM 1261 CB ILE B 35 10.066 -13.638 1.156 1.00 0.00 C ATOM 1262 CG1 ILE B 35 11.076 -14.002 2.247 1.00 0.00 C ATOM 1263 CG2 ILE B 35 10.450 -14.262 -0.175 1.00 0.00 C ATOM 1264 CD1 ILE B 35 11.156 -15.483 2.542 1.00 0.00 C ATOM 0 H ILE B 35 11.785 -11.559 1.876 1.00 0.00 H new ATOM 0 HA ILE B 35 9.473 -11.875 0.071 1.00 0.00 H new ATOM 0 HB ILE B 35 9.094 -14.036 1.446 1.00 0.00 H new ATOM 0 HG12 ILE B 35 12.062 -13.648 1.947 1.00 0.00 H new ATOM 0 HG13 ILE B 35 10.812 -13.473 3.163 1.00 0.00 H new ATOM 0 HG21 ILE B 35 10.522 -15.344 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE B 35 9.691 -14.025 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE B 35 11.413 -13.866 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE B 35 11.893 -15.659 3.325 1.00 0.00 H new ATOM 0 HD12 ILE B 35 10.181 -15.841 2.874 1.00 0.00 H new ATOM 0 HD13 ILE B 35 11.451 -16.018 1.640 1.00 0.00 H new ATOM 1276 N LEU B 36 7.819 -11.741 2.108 1.00 0.00 N ATOM 1277 CA LEU B 36 6.916 -11.128 3.077 1.00 0.00 C ATOM 1278 C LEU B 36 6.704 -11.979 4.320 1.00 0.00 C ATOM 1279 O LEU B 36 6.873 -13.199 4.303 1.00 0.00 O ATOM 1280 CB LEU B 36 5.550 -10.856 2.445 1.00 0.00 C ATOM 1281 CG LEU B 36 5.568 -9.967 1.208 1.00 0.00 C ATOM 1282 CD1 LEU B 36 5.538 -10.802 -0.064 1.00 0.00 C ATOM 1283 CD2 LEU B 36 4.407 -8.996 1.254 1.00 0.00 C ATOM 0 H LEU B 36 7.356 -12.302 1.393 1.00 0.00 H new ATOM 0 HA LEU B 36 7.396 -10.197 3.379 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.095 -11.810 2.179 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.907 -10.394 3.194 1.00 0.00 H new ATOM 0 HG LEU B 36 6.496 -9.396 1.200 1.00 0.00 H new ATOM 0 HD11 LEU B 36 5.552 -10.143 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU B 36 6.410 -11.456 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.631 -11.406 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.426 -8.364 0.366 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.469 -9.551 1.284 1.00 0.00 H new ATOM 0 HD23 LEU B 36 4.488 -8.373 2.145 1.00 0.00 H new ATOM 1295 N THR B 37 6.323 -11.301 5.393 1.00 0.00 N ATOM 1296 CA THR B 37 5.857 -11.948 6.606 1.00 0.00 C ATOM 1297 C THR B 37 4.345 -11.744 6.703 1.00 0.00 C ATOM 1298 O THR B 37 3.778 -11.036 5.875 1.00 0.00 O ATOM 1299 CB THR B 37 6.555 -11.378 7.867 1.00 0.00 C ATOM 1300 OG1 THR B 37 6.076 -12.036 9.049 1.00 0.00 O ATOM 1301 CG2 THR B 37 6.325 -9.877 7.994 1.00 0.00 C ATOM 0 H THR B 37 6.329 -10.282 5.445 1.00 0.00 H new ATOM 0 HA THR B 37 6.101 -13.009 6.560 1.00 0.00 H new ATOM 0 HB THR B 37 7.624 -11.560 7.760 1.00 0.00 H new ATOM 0 HG1 THR B 37 6.528 -11.665 9.836 1.00 0.00 H new ATOM 0 HG21 THR B 37 6.827 -9.506 8.888 1.00 0.00 H new ATOM 0 HG22 THR B 37 6.727 -9.372 7.116 1.00 0.00 H new ATOM 0 HG23 THR B 37 5.256 -9.678 8.069 1.00 0.00 H new ATOM 1309 N ALA B 38 3.702 -12.343 7.697 1.00 0.00 N ATOM 1310 CA ALA B 38 2.241 -12.299 7.815 1.00 0.00 C ATOM 1311 C ALA B 38 1.701 -10.872 7.772 1.00 0.00 C ATOM 1312 O ALA B 38 0.720 -10.600 7.077 1.00 0.00 O ATOM 1313 CB ALA B 38 1.793 -12.996 9.084 1.00 0.00 C ATOM 0 H ALA B 38 4.167 -12.868 8.438 1.00 0.00 H new ATOM 0 HA ALA B 38 1.831 -12.825 6.953 1.00 0.00 H new ATOM 0 HB1 ALA B 38 0.706 -12.955 9.157 1.00 0.00 H new ATOM 0 HB2 ALA B 38 2.116 -14.037 9.061 1.00 0.00 H new ATOM 0 HB3 ALA B 38 2.234 -12.498 9.948 1.00 0.00 H new ATOM 1319 N GLN B 39 2.329 -9.968 8.517 1.00 0.00 N ATOM 1320 CA GLN B 39 1.935 -8.563 8.498 1.00 0.00 C ATOM 1321 C GLN B 39 2.021 -7.990 7.084 1.00 0.00 C ATOM 1322 O GLN B 39 1.105 -7.312 6.619 1.00 0.00 O ATOM 1323 CB GLN B 39 2.816 -7.749 9.442 1.00 0.00 C ATOM 1324 CG GLN B 39 2.314 -6.333 9.657 1.00 0.00 C ATOM 1325 CD GLN B 39 3.126 -5.572 10.680 1.00 0.00 C ATOM 1326 OE1 GLN B 39 3.614 -6.139 11.654 1.00 0.00 O ATOM 1327 NE2 GLN B 39 3.296 -4.284 10.444 1.00 0.00 N ATOM 0 H GLN B 39 3.109 -10.181 9.139 1.00 0.00 H new ATOM 0 HA GLN B 39 0.900 -8.501 8.835 1.00 0.00 H new ATOM 0 HB2 GLN B 39 2.873 -8.257 10.404 1.00 0.00 H new ATOM 0 HB3 GLN B 39 3.829 -7.711 9.041 1.00 0.00 H new ATOM 0 HG2 GLN B 39 2.338 -5.796 8.709 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.273 -6.366 9.978 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.871 -3.856 9.621 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.852 -3.717 11.084 1.00 0.00 H new ATOM 1336 N GLY B 40 3.124 -8.281 6.401 1.00 0.00 N ATOM 1337 CA GLY B 40 3.301 -7.837 5.036 1.00 0.00 C ATOM 1338 C GLY B 40 2.333 -8.513 4.088 1.00 0.00 C ATOM 1339 O GLY B 40 1.925 -7.932 3.088 1.00 0.00 O ATOM 0 H GLY B 40 3.903 -8.822 6.776 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.163 -6.757 4.986 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.323 -8.043 4.718 1.00 0.00 H new ATOM 1343 N TYR B 41 1.947 -9.738 4.412 1.00 0.00 N ATOM 1344 CA TYR B 41 0.978 -10.464 3.607 1.00 0.00 C ATOM 1345 C TYR B 41 -0.403 -9.844 3.729 1.00 0.00 C ATOM 1346 O TYR B 41 -1.169 -9.832 2.764 1.00 0.00 O ATOM 1347 CB TYR B 41 0.936 -11.935 4.039 1.00 0.00 C ATOM 1348 CG TYR B 41 1.903 -12.826 3.291 1.00 0.00 C ATOM 1349 CD1 TYR B 41 1.624 -13.250 1.998 1.00 0.00 C ATOM 1350 CD2 TYR B 41 3.092 -13.244 3.873 1.00 0.00 C ATOM 1351 CE1 TYR B 41 2.501 -14.066 1.309 1.00 0.00 C ATOM 1352 CE2 TYR B 41 3.974 -14.058 3.189 1.00 0.00 C ATOM 1353 CZ TYR B 41 3.675 -14.464 1.908 1.00 0.00 C ATOM 1354 OH TYR B 41 4.552 -15.274 1.225 1.00 0.00 O ATOM 0 H TYR B 41 2.290 -10.249 5.226 1.00 0.00 H new ATOM 0 HA TYR B 41 1.286 -10.405 2.563 1.00 0.00 H new ATOM 0 HB2 TYR B 41 1.153 -11.996 5.105 1.00 0.00 H new ATOM 0 HB3 TYR B 41 -0.076 -12.315 3.898 1.00 0.00 H new ATOM 0 HD1 TYR B 41 0.706 -12.937 1.523 1.00 0.00 H new ATOM 0 HD2 TYR B 41 3.331 -12.927 4.877 1.00 0.00 H new ATOM 0 HE1 TYR B 41 2.267 -14.390 0.306 1.00 0.00 H new ATOM 0 HE2 TYR B 41 4.894 -14.375 3.657 1.00 0.00 H new ATOM 0 HH TYR B 41 5.331 -15.461 1.789 1.00 0.00 H new ATOM 1364 N THR B 42 -0.710 -9.296 4.891 1.00 0.00 N ATOM 1365 CA THR B 42 -1.949 -8.558 5.071 1.00 0.00 C ATOM 1366 C THR B 42 -1.913 -7.245 4.296 1.00 0.00 C ATOM 1367 O THR B 42 -2.917 -6.810 3.722 1.00 0.00 O ATOM 1368 CB THR B 42 -2.172 -8.249 6.558 1.00 0.00 C ATOM 1369 OG1 THR B 42 -2.021 -9.446 7.325 1.00 0.00 O ATOM 1370 CG2 THR B 42 -3.550 -7.657 6.792 1.00 0.00 C ATOM 0 H THR B 42 -0.121 -9.347 5.722 1.00 0.00 H new ATOM 0 HA THR B 42 -2.764 -9.176 4.695 1.00 0.00 H new ATOM 0 HB THR B 42 -1.429 -7.516 6.872 1.00 0.00 H new ATOM 0 HG1 THR B 42 -2.346 -9.293 8.237 1.00 0.00 H new ATOM 0 HG21 THR B 42 -3.681 -7.448 7.854 1.00 0.00 H new ATOM 0 HG22 THR B 42 -3.649 -6.731 6.225 1.00 0.00 H new ATOM 0 HG23 THR B 42 -4.311 -8.366 6.466 1.00 0.00 H new ATOM 1378 N LEU B 43 -0.735 -6.646 4.236 1.00 0.00 N ATOM 1379 CA LEU B 43 -0.586 -5.335 3.632 1.00 0.00 C ATOM 1380 C LEU B 43 -0.372 -5.456 2.131 1.00 0.00 C ATOM 1381 O LEU B 43 -0.511 -4.474 1.411 1.00 0.00 O ATOM 1382 CB LEU B 43 0.582 -4.566 4.275 1.00 0.00 C ATOM 1383 CG LEU B 43 0.203 -3.546 5.368 1.00 0.00 C ATOM 1384 CD1 LEU B 43 -0.634 -4.202 6.456 1.00 0.00 C ATOM 1385 CD2 LEU B 43 1.458 -2.938 5.969 1.00 0.00 C ATOM 0 H LEU B 43 0.130 -7.047 4.598 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.506 -4.777 3.808 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.273 -5.290 4.706 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.122 -4.040 3.487 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.392 -2.757 4.909 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.889 -3.462 7.215 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.549 -4.603 6.019 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.065 -5.011 6.914 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.181 -2.219 6.740 1.00 0.00 H new ATOM 0 HD22 LEU B 43 2.069 -3.726 6.410 1.00 0.00 H new ATOM 0 HD23 LEU B 43 2.027 -2.432 5.189 1.00 0.00 H new ATOM 1397 N LEU B 44 -0.066 -6.654 1.636 1.00 0.00 N ATOM 1398 CA LEU B 44 0.130 -6.822 0.207 1.00 0.00 C ATOM 1399 C LEU B 44 -1.218 -6.992 -0.483 1.00 0.00 C ATOM 1400 O LEU B 44 -1.458 -6.399 -1.524 1.00 0.00 O ATOM 1401 CB LEU B 44 1.089 -7.999 -0.108 1.00 0.00 C ATOM 1402 CG LEU B 44 0.473 -9.401 -0.283 1.00 0.00 C ATOM 1403 CD1 LEU B 44 -0.150 -9.564 -1.667 1.00 0.00 C ATOM 1404 CD2 LEU B 44 1.525 -10.476 -0.086 1.00 0.00 C ATOM 0 H LEU B 44 0.048 -7.501 2.192 1.00 0.00 H new ATOM 0 HA LEU B 44 0.607 -5.923 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU B 44 1.630 -7.755 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU B 44 1.826 -8.055 0.693 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.306 -9.508 0.472 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -0.576 -10.563 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -0.936 -8.821 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU B 44 0.616 -9.424 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU B 44 1.070 -11.458 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU B 44 2.320 -10.346 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU B 44 1.942 -10.397 0.918 1.00 0.00 H new ATOM 1416 N ASP B 45 -2.113 -7.769 0.119 1.00 0.00 N ATOM 1417 CA ASP B 45 -3.410 -8.044 -0.500 1.00 0.00 C ATOM 1418 C ASP B 45 -4.280 -6.803 -0.491 1.00 0.00 C ATOM 1419 O ASP B 45 -5.134 -6.623 -1.358 1.00 0.00 O ATOM 1420 CB ASP B 45 -4.118 -9.191 0.224 1.00 0.00 C ATOM 1421 CG ASP B 45 -5.585 -9.316 -0.162 1.00 0.00 C ATOM 1422 OD1 ASP B 45 -5.871 -9.758 -1.292 1.00 0.00 O ATOM 1423 OD2 ASP B 45 -6.457 -8.963 0.664 1.00 0.00 O ATOM 0 H ASP B 45 -1.969 -8.216 1.024 1.00 0.00 H new ATOM 0 HA ASP B 45 -3.238 -8.339 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -3.607 -10.127 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -4.042 -9.037 1.300 1.00 0.00 H new ATOM 1428 N PHE B 46 -4.017 -5.916 0.446 1.00 0.00 N ATOM 1429 CA PHE B 46 -4.735 -4.661 0.504 1.00 0.00 C ATOM 1430 C PHE B 46 -4.249 -3.729 -0.584 1.00 0.00 C ATOM 1431 O PHE B 46 -5.042 -3.047 -1.230 1.00 0.00 O ATOM 1432 CB PHE B 46 -4.497 -4.005 1.860 1.00 0.00 C ATOM 1433 CG PHE B 46 -5.295 -2.757 2.084 1.00 0.00 C ATOM 1434 CD1 PHE B 46 -6.572 -2.824 2.609 1.00 0.00 C ATOM 1435 CD2 PHE B 46 -4.763 -1.515 1.776 1.00 0.00 C ATOM 1436 CE1 PHE B 46 -7.307 -1.677 2.820 1.00 0.00 C ATOM 1437 CE2 PHE B 46 -5.495 -0.367 1.983 1.00 0.00 C ATOM 1438 CZ PHE B 46 -6.768 -0.449 2.508 1.00 0.00 C ATOM 0 H PHE B 46 -3.314 -6.040 1.175 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.798 -4.856 0.362 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -4.736 -4.722 2.645 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -3.437 -3.768 1.956 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -6.998 -3.785 2.856 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -3.765 -1.447 1.370 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -8.304 -1.742 3.229 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -5.073 0.596 1.735 1.00 0.00 H new ATOM 0 HZ PHE B 46 -7.342 0.450 2.674 1.00 0.00 H new ATOM 1448 N ILE B 47 -2.958 -3.719 -0.819 1.00 0.00 N ATOM 1449 CA ILE B 47 -2.420 -2.812 -1.803 1.00 0.00 C ATOM 1450 C ILE B 47 -2.634 -3.363 -3.210 1.00 0.00 C ATOM 1451 O ILE B 47 -2.838 -2.611 -4.161 1.00 0.00 O ATOM 1452 CB ILE B 47 -0.935 -2.507 -1.542 1.00 0.00 C ATOM 1453 CG1 ILE B 47 -0.096 -3.783 -1.626 1.00 0.00 C ATOM 1454 CG2 ILE B 47 -0.794 -1.872 -0.169 1.00 0.00 C ATOM 1455 CD1 ILE B 47 1.373 -3.580 -1.329 1.00 0.00 C ATOM 0 H ILE B 47 -2.274 -4.315 -0.353 1.00 0.00 H new ATOM 0 HA ILE B 47 -2.959 -1.868 -1.719 1.00 0.00 H new ATOM 0 HB ILE B 47 -0.572 -1.817 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -0.499 -4.516 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -0.198 -4.206 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.256 -1.652 0.024 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -1.370 -0.947 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -1.166 -2.560 0.590 1.00 0.00 H new ATOM 0 HD11 ILE B 47 1.896 -4.533 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE B 47 1.794 -2.873 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE B 47 1.489 -3.187 -0.319 1.00 0.00 H new ATOM 1467 N GLN B 48 -2.625 -4.681 -3.323 1.00 0.00 N ATOM 1468 CA GLN B 48 -3.049 -5.351 -4.533 1.00 0.00 C ATOM 1469 C GLN B 48 -4.462 -4.913 -4.899 1.00 0.00 C ATOM 1470 O GLN B 48 -4.683 -4.285 -5.915 1.00 0.00 O ATOM 1471 CB GLN B 48 -3.026 -6.866 -4.316 1.00 0.00 C ATOM 1472 CG GLN B 48 -1.636 -7.467 -4.206 1.00 0.00 C ATOM 1473 CD GLN B 48 -0.813 -7.294 -5.467 1.00 0.00 C ATOM 1474 OE1 GLN B 48 -1.347 -7.270 -6.574 1.00 0.00 O ATOM 1475 NE2 GLN B 48 0.493 -7.172 -5.302 1.00 0.00 N ATOM 0 H GLN B 48 -2.324 -5.311 -2.579 1.00 0.00 H new ATOM 0 HA GLN B 48 -2.369 -5.088 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -3.581 -7.098 -3.407 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.551 -7.346 -5.142 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -1.111 -7.004 -3.370 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -1.723 -8.529 -3.979 1.00 0.00 H new ATOM 0 HE21 GLN B 48 0.893 -7.198 -4.364 1.00 0.00 H new ATOM 0 HE22 GLN B 48 1.100 -7.052 -6.113 1.00 0.00 H new ATOM 1484 N LYS B 49 -5.379 -5.144 -3.983 1.00 0.00 N ATOM 1485 CA LYS B 49 -6.816 -5.081 -4.245 1.00 0.00 C ATOM 1486 C LYS B 49 -7.357 -3.641 -4.287 1.00 0.00 C ATOM 1487 O LYS B 49 -8.557 -3.420 -4.453 1.00 0.00 O ATOM 1488 CB LYS B 49 -7.484 -5.949 -3.169 1.00 0.00 C ATOM 1489 CG LYS B 49 -9.001 -5.935 -3.121 1.00 0.00 C ATOM 1490 CD LYS B 49 -9.522 -7.063 -2.233 1.00 0.00 C ATOM 1491 CE LYS B 49 -8.718 -7.188 -0.938 1.00 0.00 C ATOM 1492 NZ LYS B 49 -9.087 -8.397 -0.158 1.00 0.00 N ATOM 0 H LYS B 49 -5.152 -5.385 -3.018 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.045 -5.463 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -7.158 -6.979 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -7.111 -5.630 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.349 -4.975 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -9.403 -6.043 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.570 -6.882 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -9.478 -8.005 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -7.655 -7.222 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -8.879 -6.301 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.233 -8.807 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.760 -8.135 0.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.526 -9.097 -0.790 1.00 0.00 H new ATOM 1506 N HIS B 50 -6.492 -2.641 -4.109 1.00 0.00 N ATOM 1507 CA HIS B 50 -6.921 -1.285 -4.478 1.00 0.00 C ATOM 1508 C HIS B 50 -6.096 -0.654 -5.603 1.00 0.00 C ATOM 1509 O HIS B 50 -6.388 0.469 -6.007 1.00 0.00 O ATOM 1510 CB HIS B 50 -6.903 -0.369 -3.253 1.00 0.00 C ATOM 1511 CG HIS B 50 -7.735 -0.888 -2.127 1.00 0.00 C ATOM 1512 ND1 HIS B 50 -7.244 -1.744 -1.172 1.00 0.00 N ATOM 1513 CD2 HIS B 50 -9.040 -0.707 -1.829 1.00 0.00 C ATOM 1514 CE1 HIS B 50 -8.203 -2.075 -0.342 1.00 0.00 C ATOM 1515 NE2 HIS B 50 -9.304 -1.462 -0.714 1.00 0.00 N ATOM 0 H HIS B 50 -5.547 -2.728 -3.736 1.00 0.00 H new ATOM 0 HA HIS B 50 -7.936 -1.391 -4.860 1.00 0.00 H new ATOM 0 HB2 HIS B 50 -5.875 -0.247 -2.912 1.00 0.00 H new ATOM 0 HB3 HIS B 50 -7.264 0.619 -3.539 1.00 0.00 H new ATOM 0 HD1 HIS B 50 -6.280 -2.072 -1.117 1.00 0.00 H new ATOM 0 HD2 HIS B 50 -9.742 -0.086 -2.366 1.00 0.00 H new ATOM 0 HE1 HIS B 50 -8.105 -2.739 0.504 1.00 0.00 H new ATOM 0 HE2 HIS B 50 -10.209 -1.535 -0.249 1.00 0.00 H new ATOM 1524 N LEU B 51 -5.081 -1.343 -6.116 1.00 0.00 N ATOM 1525 CA LEU B 51 -4.334 -0.816 -7.267 1.00 0.00 C ATOM 1526 C LEU B 51 -4.366 -1.790 -8.442 1.00 0.00 C ATOM 1527 O LEU B 51 -4.568 -1.395 -9.590 1.00 0.00 O ATOM 1528 CB LEU B 51 -2.861 -0.524 -6.929 1.00 0.00 C ATOM 1529 CG LEU B 51 -2.572 0.677 -6.005 1.00 0.00 C ATOM 1530 CD1 LEU B 51 -3.241 1.949 -6.509 1.00 0.00 C ATOM 1531 CD2 LEU B 51 -2.996 0.384 -4.583 1.00 0.00 C ATOM 0 H LEU B 51 -4.758 -2.246 -5.768 1.00 0.00 H new ATOM 0 HA LEU B 51 -4.829 0.117 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -2.438 -1.415 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -2.325 -0.366 -7.865 1.00 0.00 H new ATOM 0 HG LEU B 51 -1.494 0.840 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -3.014 2.772 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -2.868 2.186 -7.506 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -4.320 1.801 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -2.781 1.248 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -4.065 0.175 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -2.448 -0.482 -4.211 1.00 0.00 H new ATOM 1543 N ASN B 52 -4.184 -3.064 -8.139 1.00 0.00 N ATOM 1544 CA ASN B 52 -3.907 -4.076 -9.151 1.00 0.00 C ATOM 1545 C ASN B 52 -4.886 -5.252 -9.104 1.00 0.00 C ATOM 1546 O ASN B 52 -4.988 -6.019 -10.061 1.00 0.00 O ATOM 1547 CB ASN B 52 -2.475 -4.573 -8.968 1.00 0.00 C ATOM 1548 CG ASN B 52 -1.519 -3.965 -9.984 1.00 0.00 C ATOM 1549 OD1 ASN B 52 -0.352 -3.724 -9.687 1.00 0.00 O ATOM 1550 ND2 ASN B 52 -2.001 -3.730 -11.197 1.00 0.00 N ATOM 0 H ASN B 52 -4.223 -3.428 -7.187 1.00 0.00 H new ATOM 0 HA ASN B 52 -4.033 -3.613 -10.130 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -2.134 -4.331 -7.961 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -2.455 -5.659 -9.058 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -1.397 -3.337 -11.919 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -2.976 -3.943 -11.408 1.00 0.00 H new ATOM 1557 N LYS B 53 -5.584 -5.404 -7.999 1.00 0.00 N ATOM 1558 CA LYS B 53 -6.631 -6.402 -7.875 1.00 0.00 C ATOM 1559 C LYS B 53 -7.986 -5.708 -7.836 1.00 0.00 C ATOM 1560 O LYS B 53 -8.413 -5.303 -6.740 1.00 0.00 O ATOM 1561 CB LYS B 53 -6.455 -7.224 -6.597 1.00 0.00 C ATOM 1562 CG LYS B 53 -5.966 -8.640 -6.821 1.00 0.00 C ATOM 1563 CD LYS B 53 -6.184 -9.487 -5.572 1.00 0.00 C ATOM 1564 CE LYS B 53 -4.946 -9.544 -4.698 1.00 0.00 C ATOM 1565 NZ LYS B 53 -5.079 -10.546 -3.610 1.00 0.00 N ATOM 1566 OXT LYS B 53 -8.605 -5.558 -8.908 1.00 0.00 O ATOM 0 H LYS B 53 -5.444 -4.841 -7.160 1.00 0.00 H new ATOM 0 HA LYS B 53 -6.572 -7.072 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -5.751 -6.709 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -7.409 -7.262 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -6.495 -9.084 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -4.907 -8.628 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -7.014 -9.077 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -6.467 -10.498 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -4.079 -9.789 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -4.762 -8.561 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -5.280 -10.060 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -5.858 -11.199 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -4.192 -11.082 -3.522 1.00 0.00 H new ATOM 1601 N VAL C 2 -7.277 4.740 13.918 1.00 0.00 N ATOM 1602 CA VAL C 2 -6.155 5.102 14.777 1.00 0.00 C ATOM 1603 C VAL C 2 -5.022 5.714 13.951 1.00 0.00 C ATOM 1604 O VAL C 2 -4.055 6.258 14.491 1.00 0.00 O ATOM 1605 CB VAL C 2 -5.644 3.864 15.559 1.00 0.00 C ATOM 1606 CG1 VAL C 2 -5.015 2.843 14.620 1.00 0.00 C ATOM 1607 CG2 VAL C 2 -4.671 4.266 16.659 1.00 0.00 C ATOM 0 HA VAL C 2 -6.501 5.845 15.495 1.00 0.00 H new ATOM 0 HB VAL C 2 -6.506 3.396 16.034 1.00 0.00 H new ATOM 0 HG11 VAL C 2 -4.666 1.986 15.196 1.00 0.00 H new ATOM 0 HG12 VAL C 2 -5.756 2.513 13.892 1.00 0.00 H new ATOM 0 HG13 VAL C 2 -4.172 3.298 14.099 1.00 0.00 H new ATOM 0 HG21 VAL C 2 -4.332 3.375 17.188 1.00 0.00 H new ATOM 0 HG22 VAL C 2 -3.814 4.775 16.218 1.00 0.00 H new ATOM 0 HG23 VAL C 2 -5.170 4.936 17.359 1.00 0.00 H new ATOM 1617 N ILE C 3 -5.162 5.640 12.636 1.00 0.00 N ATOM 1618 CA ILE C 3 -4.159 6.178 11.735 1.00 0.00 C ATOM 1619 C ILE C 3 -4.784 7.206 10.802 1.00 0.00 C ATOM 1620 O ILE C 3 -5.908 7.026 10.329 1.00 0.00 O ATOM 1621 CB ILE C 3 -3.470 5.063 10.903 1.00 0.00 C ATOM 1622 CG1 ILE C 3 -2.274 5.634 10.132 1.00 0.00 C ATOM 1623 CG2 ILE C 3 -4.460 4.401 9.945 1.00 0.00 C ATOM 1624 CD1 ILE C 3 -1.473 4.588 9.386 1.00 0.00 C ATOM 0 H ILE C 3 -5.962 5.212 12.170 1.00 0.00 H new ATOM 0 HA ILE C 3 -3.396 6.658 12.348 1.00 0.00 H new ATOM 0 HB ILE C 3 -3.108 4.300 11.592 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -2.633 6.378 9.421 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -1.617 6.152 10.831 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -3.951 3.624 9.375 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -5.276 3.957 10.515 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -4.860 5.149 9.261 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -0.644 5.067 8.865 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -1.082 3.856 10.093 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -2.115 4.086 8.662 1.00 0.00 H new ATOM 1636 N ALA C 4 -4.088 8.309 10.593 1.00 0.00 N ATOM 1637 CA ALA C 4 -4.502 9.293 9.613 1.00 0.00 C ATOM 1638 C ALA C 4 -3.429 9.436 8.546 1.00 0.00 C ATOM 1639 O ALA C 4 -2.292 9.002 8.739 1.00 0.00 O ATOM 1640 CB ALA C 4 -4.779 10.631 10.280 1.00 0.00 C ATOM 0 H ALA C 4 -3.230 8.545 11.092 1.00 0.00 H new ATOM 0 HA ALA C 4 -5.425 8.956 9.142 1.00 0.00 H new ATOM 0 HB1 ALA C 4 -5.088 11.356 9.527 1.00 0.00 H new ATOM 0 HB2 ALA C 4 -5.573 10.513 11.017 1.00 0.00 H new ATOM 0 HB3 ALA C 4 -3.875 10.985 10.774 1.00 0.00 H new ATOM 1646 N THR C 5 -3.787 10.038 7.421 1.00 0.00 N ATOM 1647 CA THR C 5 -2.843 10.245 6.333 1.00 0.00 C ATOM 1648 C THR C 5 -1.748 11.223 6.763 1.00 0.00 C ATOM 1649 O THR C 5 -0.695 11.316 6.136 1.00 0.00 O ATOM 1650 CB THR C 5 -3.567 10.772 5.076 1.00 0.00 C ATOM 1651 OG1 THR C 5 -4.725 9.963 4.816 1.00 0.00 O ATOM 1652 CG2 THR C 5 -2.654 10.746 3.857 1.00 0.00 C ATOM 0 H THR C 5 -4.726 10.392 7.238 1.00 0.00 H new ATOM 0 HA THR C 5 -2.384 9.287 6.088 1.00 0.00 H new ATOM 0 HB THR C 5 -3.861 11.805 5.263 1.00 0.00 H new ATOM 0 HG1 THR C 5 -5.186 10.298 4.019 1.00 0.00 H new ATOM 0 HG21 THR C 5 -3.195 11.123 2.989 1.00 0.00 H new ATOM 0 HG22 THR C 5 -1.782 11.373 4.042 1.00 0.00 H new ATOM 0 HG23 THR C 5 -2.331 9.723 3.666 1.00 0.00 H new ATOM 1660 N ASP C 6 -1.986 11.897 7.882 1.00 0.00 N ATOM 1661 CA ASP C 6 -1.063 12.893 8.404 1.00 0.00 C ATOM 1662 C ASP C 6 0.055 12.223 9.201 1.00 0.00 C ATOM 1663 O ASP C 6 1.006 12.877 9.632 1.00 0.00 O ATOM 1664 CB ASP C 6 -1.815 13.891 9.295 1.00 0.00 C ATOM 1665 CG ASP C 6 -2.863 14.689 8.538 1.00 0.00 C ATOM 1666 OD1 ASP C 6 -3.966 14.150 8.278 1.00 0.00 O ATOM 1667 OD2 ASP C 6 -2.600 15.866 8.210 1.00 0.00 O ATOM 0 H ASP C 6 -2.823 11.768 8.451 1.00 0.00 H new ATOM 0 HA ASP C 6 -0.619 13.427 7.564 1.00 0.00 H new ATOM 0 HB2 ASP C 6 -2.296 13.351 10.110 1.00 0.00 H new ATOM 0 HB3 ASP C 6 -1.099 14.578 9.746 1.00 0.00 H new ATOM 1672 N ASP C 7 -0.064 10.910 9.396 1.00 0.00 N ATOM 1673 CA ASP C 7 0.982 10.140 10.069 1.00 0.00 C ATOM 1674 C ASP C 7 1.813 9.381 9.046 1.00 0.00 C ATOM 1675 O ASP C 7 2.725 8.631 9.396 1.00 0.00 O ATOM 1676 CB ASP C 7 0.366 9.123 11.042 1.00 0.00 C ATOM 1677 CG ASP C 7 -0.550 9.744 12.078 1.00 0.00 C ATOM 1678 OD1 ASP C 7 -1.764 9.867 11.807 1.00 0.00 O ATOM 1679 OD2 ASP C 7 -0.066 10.084 13.181 1.00 0.00 O ATOM 0 H ASP C 7 -0.870 10.359 9.099 1.00 0.00 H new ATOM 0 HA ASP C 7 1.610 10.840 10.620 1.00 0.00 H new ATOM 0 HB2 ASP C 7 -0.195 8.383 10.472 1.00 0.00 H new ATOM 0 HB3 ASP C 7 1.169 8.591 11.553 1.00 0.00 H new ATOM 1684 N LEU C 8 1.491 9.579 7.778 1.00 0.00 N ATOM 1685 CA LEU C 8 2.210 8.923 6.693 1.00 0.00 C ATOM 1686 C LEU C 8 2.758 9.949 5.714 1.00 0.00 C ATOM 1687 O LEU C 8 3.795 9.735 5.083 1.00 0.00 O ATOM 1688 CB LEU C 8 1.288 7.940 5.973 1.00 0.00 C ATOM 1689 CG LEU C 8 0.848 6.742 6.810 1.00 0.00 C ATOM 1690 CD1 LEU C 8 -0.154 5.894 6.049 1.00 0.00 C ATOM 1691 CD2 LEU C 8 2.052 5.907 7.205 1.00 0.00 C ATOM 0 H LEU C 8 0.734 10.190 7.472 1.00 0.00 H new ATOM 0 HA LEU C 8 3.051 8.373 7.116 1.00 0.00 H new ATOM 0 HB2 LEU C 8 0.400 8.476 5.637 1.00 0.00 H new ATOM 0 HB3 LEU C 8 1.796 7.575 5.081 1.00 0.00 H new ATOM 0 HG LEU C 8 0.366 7.113 7.714 1.00 0.00 H new ATOM 0 HD11 LEU C 8 -0.454 5.046 6.664 1.00 0.00 H new ATOM 0 HD12 LEU C 8 -1.030 6.495 5.808 1.00 0.00 H new ATOM 0 HD13 LEU C 8 0.302 5.531 5.128 1.00 0.00 H new ATOM 0 HD21 LEU C 8 1.724 5.056 7.802 1.00 0.00 H new ATOM 0 HD22 LEU C 8 2.556 5.549 6.308 1.00 0.00 H new ATOM 0 HD23 LEU C 8 2.741 6.516 7.790 1.00 0.00 H new ATOM 1703 N GLU C 9 2.076 11.079 5.636 1.00 0.00 N ATOM 1704 CA GLU C 9 2.466 12.157 4.750 1.00 0.00 C ATOM 1705 C GLU C 9 2.113 13.489 5.391 1.00 0.00 C ATOM 1706 O GLU C 9 1.191 13.580 6.199 1.00 0.00 O ATOM 1707 CB GLU C 9 1.816 12.040 3.361 1.00 0.00 C ATOM 1708 CG GLU C 9 2.326 10.860 2.544 1.00 0.00 C ATOM 1709 CD GLU C 9 2.134 11.035 1.049 1.00 0.00 C ATOM 1710 OE1 GLU C 9 0.997 10.878 0.564 1.00 0.00 O ATOM 1711 OE2 GLU C 9 3.136 11.291 0.337 1.00 0.00 O ATOM 0 H GLU C 9 1.238 11.273 6.185 1.00 0.00 H new ATOM 0 HA GLU C 9 3.543 12.091 4.598 1.00 0.00 H new ATOM 0 HB2 GLU C 9 0.737 11.948 3.481 1.00 0.00 H new ATOM 0 HB3 GLU C 9 1.997 12.960 2.806 1.00 0.00 H new ATOM 0 HG2 GLU C 9 3.386 10.714 2.752 1.00 0.00 H new ATOM 0 HG3 GLU C 9 1.811 9.955 2.866 1.00 0.00 H new ATOM 1718 N VAL C 10 2.869 14.504 5.043 1.00 0.00 N ATOM 1719 CA VAL C 10 2.692 15.831 5.589 1.00 0.00 C ATOM 1720 C VAL C 10 2.694 16.837 4.444 1.00 0.00 C ATOM 1721 O VAL C 10 3.378 16.638 3.441 1.00 0.00 O ATOM 1722 CB VAL C 10 3.815 16.148 6.611 1.00 0.00 C ATOM 1723 CG1 VAL C 10 5.191 15.967 5.986 1.00 0.00 C ATOM 1724 CG2 VAL C 10 3.668 17.550 7.176 1.00 0.00 C ATOM 0 H VAL C 10 3.630 14.432 4.368 1.00 0.00 H new ATOM 0 HA VAL C 10 1.740 15.891 6.117 1.00 0.00 H new ATOM 0 HB VAL C 10 3.717 15.440 7.434 1.00 0.00 H new ATOM 0 HG11 VAL C 10 5.959 16.196 6.725 1.00 0.00 H new ATOM 0 HG12 VAL C 10 5.306 14.936 5.651 1.00 0.00 H new ATOM 0 HG13 VAL C 10 5.295 16.639 5.134 1.00 0.00 H new ATOM 0 HG21 VAL C 10 4.470 17.741 7.889 1.00 0.00 H new ATOM 0 HG22 VAL C 10 3.722 18.277 6.365 1.00 0.00 H new ATOM 0 HG23 VAL C 10 2.706 17.640 7.680 1.00 0.00 H new ATOM 1734 N ALA C 11 1.905 17.894 4.571 1.00 0.00 N ATOM 1735 CA ALA C 11 1.799 18.890 3.520 1.00 0.00 C ATOM 1736 C ALA C 11 3.126 19.605 3.319 1.00 0.00 C ATOM 1737 O ALA C 11 3.765 20.025 4.284 1.00 0.00 O ATOM 1738 CB ALA C 11 0.699 19.876 3.874 1.00 0.00 C ATOM 0 H ALA C 11 1.330 18.082 5.392 1.00 0.00 H new ATOM 0 HA ALA C 11 1.547 18.397 2.581 1.00 0.00 H new ATOM 0 HB1 ALA C 11 0.616 20.626 3.087 1.00 0.00 H new ATOM 0 HB2 ALA C 11 -0.248 19.345 3.971 1.00 0.00 H new ATOM 0 HB3 ALA C 11 0.939 20.365 4.818 1.00 0.00 H new ATOM 1744 N CYS C 12 3.523 19.726 2.048 1.00 0.00 N ATOM 1745 CA CYS C 12 4.846 20.203 1.650 1.00 0.00 C ATOM 1746 C CYS C 12 5.177 21.594 2.202 1.00 0.00 C ATOM 1747 O CYS C 12 4.296 22.317 2.649 1.00 0.00 O ATOM 1748 CB CYS C 12 4.897 20.247 0.124 1.00 0.00 C ATOM 1749 SG CYS C 12 6.357 19.470 -0.595 1.00 0.00 S ATOM 0 H CYS C 12 2.923 19.491 1.257 1.00 0.00 H new ATOM 0 HA CYS C 12 5.585 19.516 2.063 1.00 0.00 H new ATOM 0 HB2 CYS C 12 4.007 19.757 -0.271 1.00 0.00 H new ATOM 0 HB3 CYS C 12 4.858 21.287 -0.199 1.00 0.00 H new ATOM 0 HG CYS C 12 6.051 18.955 -1.748 1.00 0.00 H new ATOM 1754 N PRO C 13 6.465 21.990 2.157 1.00 0.00 N ATOM 1755 CA PRO C 13 6.910 23.330 2.582 1.00 0.00 C ATOM 1756 C PRO C 13 6.136 24.490 1.942 1.00 0.00 C ATOM 1757 O PRO C 13 6.007 25.569 2.530 1.00 0.00 O ATOM 1758 CB PRO C 13 8.360 23.359 2.095 1.00 0.00 C ATOM 1759 CG PRO C 13 8.809 21.950 2.185 1.00 0.00 C ATOM 1760 CD PRO C 13 7.615 21.137 1.763 1.00 0.00 C ATOM 0 HA PRO C 13 6.762 23.470 3.653 1.00 0.00 H new ATOM 0 HB2 PRO C 13 8.428 23.733 1.073 1.00 0.00 H new ATOM 0 HB3 PRO C 13 8.974 24.012 2.715 1.00 0.00 H new ATOM 0 HG2 PRO C 13 9.663 21.765 1.534 1.00 0.00 H new ATOM 0 HG3 PRO C 13 9.120 21.698 3.199 1.00 0.00 H new ATOM 0 HD2 PRO C 13 7.621 20.940 0.691 1.00 0.00 H new ATOM 0 HD3 PRO C 13 7.589 20.170 2.265 1.00 0.00 H new ATOM 1768 N LYS C 14 5.617 24.270 0.737 1.00 0.00 N ATOM 1769 CA LYS C 14 5.122 25.375 -0.072 1.00 0.00 C ATOM 1770 C LYS C 14 4.026 24.963 -1.064 1.00 0.00 C ATOM 1771 O LYS C 14 3.151 25.761 -1.388 1.00 0.00 O ATOM 1772 CB LYS C 14 6.290 25.996 -0.848 1.00 0.00 C ATOM 1773 CG LYS C 14 5.868 27.077 -1.828 1.00 0.00 C ATOM 1774 CD LYS C 14 7.010 27.460 -2.758 1.00 0.00 C ATOM 1775 CE LYS C 14 6.550 28.430 -3.831 1.00 0.00 C ATOM 1776 NZ LYS C 14 6.123 29.728 -3.255 1.00 0.00 N ATOM 0 H LYS C 14 5.530 23.350 0.306 1.00 0.00 H new ATOM 0 HA LYS C 14 4.675 26.093 0.616 1.00 0.00 H new ATOM 0 HB2 LYS C 14 7.001 26.419 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS C 14 6.812 25.209 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS C 14 5.020 26.726 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS C 14 5.533 27.957 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS C 14 7.816 27.911 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS C 14 7.416 26.563 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS C 14 7.360 28.597 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS C 14 5.723 27.990 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 5.929 30.402 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 5.261 29.590 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 6.879 30.104 -2.648 1.00 0.00 H new ATOM 1790 N CYS C 15 4.062 23.738 -1.577 1.00 0.00 N ATOM 1791 CA CYS C 15 3.210 23.426 -2.725 1.00 0.00 C ATOM 1792 C CYS C 15 2.160 22.348 -2.442 1.00 0.00 C ATOM 1793 O CYS C 15 1.856 21.514 -3.303 1.00 0.00 O ATOM 1794 CB CYS C 15 4.128 22.940 -3.841 1.00 0.00 C ATOM 1795 SG CYS C 15 5.063 21.461 -3.391 1.00 0.00 S ATOM 0 H CYS C 15 4.644 22.972 -1.237 1.00 0.00 H new ATOM 0 HA CYS C 15 2.655 24.326 -2.989 1.00 0.00 H new ATOM 0 HB2 CYS C 15 3.532 22.730 -4.729 1.00 0.00 H new ATOM 0 HB3 CYS C 15 4.824 23.737 -4.105 1.00 0.00 H new ATOM 0 HG CYS C 15 6.166 21.419 -4.078 1.00 0.00 H new ATOM 1800 N GLU C 16 1.526 22.464 -1.298 1.00 0.00 N ATOM 1801 CA GLU C 16 0.530 21.511 -0.830 1.00 0.00 C ATOM 1802 C GLU C 16 -0.832 21.961 -1.291 1.00 0.00 C ATOM 1803 O GLU C 16 -1.849 21.641 -0.686 1.00 0.00 O ATOM 1804 CB GLU C 16 0.519 21.464 0.702 1.00 0.00 C ATOM 1805 CG GLU C 16 1.655 22.209 1.376 1.00 0.00 C ATOM 1806 CD GLU C 16 1.386 23.703 1.471 1.00 0.00 C ATOM 1807 OE1 GLU C 16 1.504 24.399 0.445 1.00 0.00 O ATOM 1808 OE2 GLU C 16 1.052 24.192 2.568 1.00 0.00 O ATOM 0 H GLU C 16 1.687 23.235 -0.650 1.00 0.00 H new ATOM 0 HA GLU C 16 0.772 20.525 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU C 16 -0.426 21.876 1.056 1.00 0.00 H new ATOM 0 HB3 GLU C 16 0.550 20.421 1.018 1.00 0.00 H new ATOM 0 HG2 GLU C 16 1.809 21.805 2.377 1.00 0.00 H new ATOM 0 HG3 GLU C 16 2.577 22.042 0.819 1.00 0.00 H new ATOM 1815 N ARG C 17 -0.837 22.697 -2.384 1.00 0.00 N ATOM 1816 CA ARG C 17 -1.977 23.481 -2.777 1.00 0.00 C ATOM 1817 C ARG C 17 -2.003 23.515 -4.300 1.00 0.00 C ATOM 1818 O ARG C 17 -3.049 23.691 -4.927 1.00 0.00 O ATOM 1819 CB ARG C 17 -1.867 24.892 -2.193 1.00 0.00 C ATOM 1820 CG ARG C 17 -0.603 25.634 -2.598 1.00 0.00 C ATOM 1821 CD ARG C 17 -0.361 26.839 -1.709 1.00 0.00 C ATOM 1822 NE ARG C 17 -0.070 26.449 -0.328 1.00 0.00 N ATOM 1823 CZ ARG C 17 -0.419 27.161 0.741 1.00 0.00 C ATOM 1824 NH1 ARG C 17 -1.071 28.309 0.594 1.00 0.00 N ATOM 1825 NH2 ARG C 17 -0.124 26.719 1.959 1.00 0.00 N ATOM 0 H ARG C 17 -0.045 22.764 -3.023 1.00 0.00 H new ATOM 0 HA ARG C 17 -2.902 23.045 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -2.734 25.473 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -1.905 24.828 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG C 17 0.251 24.960 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -0.685 25.956 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG C 17 0.471 27.421 -2.105 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -1.239 27.485 -1.727 1.00 0.00 H new ATOM 0 HE ARG C 17 0.433 25.575 -0.175 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -1.305 28.647 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -1.337 28.853 1.415 1.00 0.00 H new ATOM 0 HH21 ARG C 17 0.370 25.834 2.075 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -0.391 27.265 2.778 1.00 0.00 H new ATOM 1839 N ALA C 18 -0.815 23.331 -4.883 1.00 0.00 N ATOM 1840 CA ALA C 18 -0.650 23.437 -6.326 1.00 0.00 C ATOM 1841 C ALA C 18 0.062 22.224 -6.908 1.00 0.00 C ATOM 1842 O ALA C 18 -0.235 21.791 -8.020 1.00 0.00 O ATOM 1843 CB ALA C 18 0.103 24.713 -6.670 1.00 0.00 C ATOM 0 H ALA C 18 0.041 23.109 -4.375 1.00 0.00 H new ATOM 0 HA ALA C 18 -1.643 23.473 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA C 18 0.222 24.785 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA C 18 -0.458 25.575 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA C 18 1.085 24.695 -6.197 1.00 0.00 H new ATOM 1849 N GLY C 19 0.994 21.667 -6.142 1.00 0.00 N ATOM 1850 CA GLY C 19 1.736 20.514 -6.605 1.00 0.00 C ATOM 1851 C GLY C 19 2.985 20.890 -7.382 1.00 0.00 C ATOM 1852 O GLY C 19 3.556 20.057 -8.079 1.00 0.00 O ATOM 0 H GLY C 19 1.247 21.995 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY C 19 2.017 19.901 -5.749 1.00 0.00 H new ATOM 0 HA3 GLY C 19 1.091 19.903 -7.236 1.00 0.00 H new ATOM 1856 N GLU C 20 3.451 22.121 -7.206 1.00 0.00 N ATOM 1857 CA GLU C 20 4.581 22.623 -7.981 1.00 0.00 C ATOM 1858 C GLU C 20 5.350 23.683 -7.202 1.00 0.00 C ATOM 1859 O GLU C 20 4.827 24.285 -6.267 1.00 0.00 O ATOM 1860 CB GLU C 20 4.119 23.204 -9.322 1.00 0.00 C ATOM 1861 CG GLU C 20 3.073 24.296 -9.184 1.00 0.00 C ATOM 1862 CD GLU C 20 2.888 25.092 -10.460 1.00 0.00 C ATOM 1863 OE1 GLU C 20 2.426 24.521 -11.467 1.00 0.00 O ATOM 1864 OE2 GLU C 20 3.220 26.296 -10.461 1.00 0.00 O ATOM 0 H GLU C 20 3.066 22.788 -6.537 1.00 0.00 H new ATOM 0 HA GLU C 20 5.242 21.778 -8.175 1.00 0.00 H new ATOM 0 HB2 GLU C 20 4.983 23.605 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU C 20 3.714 22.400 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU C 20 2.121 23.848 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU C 20 3.362 24.971 -8.378 1.00 0.00 H new ATOM 1871 N ILE C 21 6.589 23.900 -7.600 1.00 0.00 N ATOM 1872 CA ILE C 21 7.444 24.899 -6.981 1.00 0.00 C ATOM 1873 C ILE C 21 7.964 25.825 -8.065 1.00 0.00 C ATOM 1874 O ILE C 21 8.804 25.422 -8.865 1.00 0.00 O ATOM 1875 CB ILE C 21 8.653 24.262 -6.250 1.00 0.00 C ATOM 1876 CG1 ILE C 21 8.197 23.335 -5.117 1.00 0.00 C ATOM 1877 CG2 ILE C 21 9.585 25.340 -5.711 1.00 0.00 C ATOM 1878 CD1 ILE C 21 7.578 24.045 -3.929 1.00 0.00 C ATOM 0 H ILE C 21 7.033 23.389 -8.363 1.00 0.00 H new ATOM 0 HA ILE C 21 6.853 25.439 -6.241 1.00 0.00 H new ATOM 0 HB ILE C 21 9.198 23.660 -6.977 1.00 0.00 H new ATOM 0 HG12 ILE C 21 7.473 22.624 -5.516 1.00 0.00 H new ATOM 0 HG13 ILE C 21 9.054 22.757 -4.772 1.00 0.00 H new ATOM 0 HG21 ILE C 21 10.427 24.871 -5.201 1.00 0.00 H new ATOM 0 HG22 ILE C 21 9.954 25.949 -6.537 1.00 0.00 H new ATOM 0 HG23 ILE C 21 9.042 25.972 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE C 21 7.286 23.311 -3.178 1.00 0.00 H new ATOM 0 HD12 ILE C 21 8.304 24.735 -3.499 1.00 0.00 H new ATOM 0 HD13 ILE C 21 6.699 24.600 -4.255 1.00 0.00 H new ATOM 1890 N GLU C 22 7.458 27.051 -8.098 1.00 0.00 N ATOM 1891 CA GLU C 22 7.868 28.021 -9.112 1.00 0.00 C ATOM 1892 C GLU C 22 7.580 27.504 -10.516 1.00 0.00 C ATOM 1893 O GLU C 22 8.436 27.572 -11.401 1.00 0.00 O ATOM 1894 CB GLU C 22 9.362 28.285 -8.967 1.00 0.00 C ATOM 1895 CG GLU C 22 9.830 29.573 -9.618 1.00 0.00 C ATOM 1896 CD GLU C 22 11.166 30.039 -9.092 1.00 0.00 C ATOM 1897 OE1 GLU C 22 11.183 30.790 -8.096 1.00 0.00 O ATOM 1898 OE2 GLU C 22 12.208 29.661 -9.670 1.00 0.00 O ATOM 0 H GLU C 22 6.764 27.399 -7.437 1.00 0.00 H new ATOM 0 HA GLU C 22 7.302 28.941 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU C 22 9.614 28.314 -7.907 1.00 0.00 H new ATOM 0 HB3 GLU C 22 9.911 27.450 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU C 22 9.900 29.426 -10.696 1.00 0.00 H new ATOM 0 HG3 GLU C 22 9.086 30.352 -9.450 1.00 0.00 H new ATOM 1905 N GLY C 23 6.392 26.949 -10.720 1.00 0.00 N ATOM 1906 CA GLY C 23 6.068 26.373 -12.011 1.00 0.00 C ATOM 1907 C GLY C 23 6.933 25.185 -12.345 1.00 0.00 C ATOM 1908 O GLY C 23 6.876 24.640 -13.447 1.00 0.00 O ATOM 0 H GLY C 23 5.652 26.887 -10.021 1.00 0.00 H new ATOM 0 HA2 GLY C 23 5.021 26.070 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY C 23 6.185 27.133 -12.784 1.00 0.00 H new ATOM 1912 N THR C 24 7.741 24.796 -11.390 1.00 0.00 N ATOM 1913 CA THR C 24 8.744 23.788 -11.595 1.00 0.00 C ATOM 1914 C THR C 24 8.502 22.575 -10.680 1.00 0.00 C ATOM 1915 O THR C 24 7.992 22.723 -9.566 1.00 0.00 O ATOM 1916 CB THR C 24 10.088 24.486 -11.328 1.00 0.00 C ATOM 1917 OG1 THR C 24 10.585 25.066 -12.540 1.00 0.00 O ATOM 1918 CG2 THR C 24 11.132 23.580 -10.702 1.00 0.00 C ATOM 0 H THR C 24 7.719 25.174 -10.443 1.00 0.00 H new ATOM 0 HA THR C 24 8.723 23.381 -12.606 1.00 0.00 H new ATOM 0 HB THR C 24 9.893 25.268 -10.594 1.00 0.00 H new ATOM 0 HG1 THR C 24 11.440 25.511 -12.363 1.00 0.00 H new ATOM 0 HG21 THR C 24 12.053 24.141 -10.543 1.00 0.00 H new ATOM 0 HG22 THR C 24 10.764 23.208 -9.746 1.00 0.00 H new ATOM 0 HG23 THR C 24 11.330 22.739 -11.367 1.00 0.00 H new ATOM 1926 N PRO C 25 8.823 21.351 -11.165 1.00 0.00 N ATOM 1927 CA PRO C 25 8.599 20.100 -10.421 1.00 0.00 C ATOM 1928 C PRO C 25 9.231 20.133 -9.034 1.00 0.00 C ATOM 1929 O PRO C 25 10.391 20.525 -8.871 1.00 0.00 O ATOM 1930 CB PRO C 25 9.260 19.027 -11.298 1.00 0.00 C ATOM 1931 CG PRO C 25 10.162 19.787 -12.209 1.00 0.00 C ATOM 1932 CD PRO C 25 9.451 21.084 -12.466 1.00 0.00 C ATOM 0 HA PRO C 25 7.539 19.917 -10.244 1.00 0.00 H new ATOM 0 HB2 PRO C 25 9.818 18.311 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO C 25 8.517 18.460 -11.859 1.00 0.00 H new ATOM 0 HG2 PRO C 25 11.136 19.955 -11.750 1.00 0.00 H new ATOM 0 HG3 PRO C 25 10.337 19.242 -13.137 1.00 0.00 H new ATOM 0 HD2 PRO C 25 10.140 21.877 -12.757 1.00 0.00 H new ATOM 0 HD3 PRO C 25 8.714 20.994 -13.264 1.00 0.00 H new ATOM 1940 N CYS C 26 8.460 19.717 -8.036 1.00 0.00 N ATOM 1941 CA CYS C 26 8.844 19.877 -6.645 1.00 0.00 C ATOM 1942 C CYS C 26 9.732 18.732 -6.139 1.00 0.00 C ATOM 1943 O CYS C 26 9.456 17.567 -6.410 1.00 0.00 O ATOM 1944 CB CYS C 26 7.579 19.989 -5.800 1.00 0.00 C ATOM 1945 SG CYS C 26 7.876 20.200 -4.010 1.00 0.00 S ATOM 0 H CYS C 26 7.557 19.262 -8.170 1.00 0.00 H new ATOM 0 HA CYS C 26 9.441 20.785 -6.559 1.00 0.00 H new ATOM 0 HB2 CYS C 26 6.991 20.834 -6.159 1.00 0.00 H new ATOM 0 HB3 CYS C 26 6.976 19.094 -5.952 1.00 0.00 H new ATOM 0 HG CYS C 26 6.746 20.129 -3.371 1.00 0.00 H new ATOM 1950 N PRO C 27 10.788 19.090 -5.367 1.00 0.00 N ATOM 1951 CA PRO C 27 11.803 18.177 -4.808 1.00 0.00 C ATOM 1952 C PRO C 27 11.332 16.751 -4.495 1.00 0.00 C ATOM 1953 O PRO C 27 11.923 15.777 -4.959 1.00 0.00 O ATOM 1954 CB PRO C 27 12.165 18.890 -3.506 1.00 0.00 C ATOM 1955 CG PRO C 27 12.044 20.349 -3.805 1.00 0.00 C ATOM 1956 CD PRO C 27 11.106 20.482 -4.992 1.00 0.00 C ATOM 0 HA PRO C 27 12.607 18.012 -5.526 1.00 0.00 H new ATOM 0 HB2 PRO C 27 11.494 18.598 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO C 27 13.176 18.637 -3.188 1.00 0.00 H new ATOM 0 HG2 PRO C 27 11.653 20.888 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO C 27 13.019 20.778 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO C 27 10.206 21.037 -4.727 1.00 0.00 H new ATOM 0 HD3 PRO C 27 11.580 21.017 -5.815 1.00 0.00 H new ATOM 1964 N ALA C 28 10.259 16.636 -3.721 1.00 0.00 N ATOM 1965 CA ALA C 28 9.870 15.345 -3.152 1.00 0.00 C ATOM 1966 C ALA C 28 8.391 15.037 -3.368 1.00 0.00 C ATOM 1967 O ALA C 28 7.901 13.986 -2.956 1.00 0.00 O ATOM 1968 CB ALA C 28 10.196 15.320 -1.670 1.00 0.00 C ATOM 0 H ALA C 28 9.645 17.412 -3.473 1.00 0.00 H new ATOM 0 HA ALA C 28 10.438 14.573 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA C 28 9.905 14.357 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA C 28 11.267 15.468 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA C 28 9.651 16.117 -1.164 1.00 0.00 H new ATOM 1974 N CYS C 29 7.676 15.958 -3.988 1.00 0.00 N ATOM 1975 CA CYS C 29 6.269 15.731 -4.286 1.00 0.00 C ATOM 1976 C CYS C 29 5.977 16.122 -5.735 1.00 0.00 C ATOM 1977 O CYS C 29 5.903 17.306 -6.070 1.00 0.00 O ATOM 1978 CB CYS C 29 5.368 16.501 -3.295 1.00 0.00 C ATOM 1979 SG CYS C 29 5.285 18.301 -3.550 1.00 0.00 S ATOM 0 H CYS C 29 8.039 16.861 -4.293 1.00 0.00 H new ATOM 0 HA CYS C 29 6.045 14.671 -4.168 1.00 0.00 H new ATOM 0 HB2 CYS C 29 4.358 16.095 -3.358 1.00 0.00 H new ATOM 0 HB3 CYS C 29 5.725 16.311 -2.283 1.00 0.00 H new ATOM 0 HG CYS C 29 6.408 18.720 -4.053 1.00 0.00 H new ATOM 1984 N SER C 30 5.839 15.128 -6.601 1.00 0.00 N ATOM 1985 CA SER C 30 5.637 15.360 -8.023 1.00 0.00 C ATOM 1986 C SER C 30 4.179 15.706 -8.358 1.00 0.00 C ATOM 1987 O SER C 30 3.572 15.100 -9.242 1.00 0.00 O ATOM 1988 CB SER C 30 6.084 14.109 -8.774 1.00 0.00 C ATOM 1989 OG SER C 30 5.625 12.944 -8.110 1.00 0.00 O ATOM 0 H SER C 30 5.864 14.143 -6.339 1.00 0.00 H new ATOM 0 HA SER C 30 6.229 16.222 -8.329 1.00 0.00 H new ATOM 0 HB2 SER C 30 5.697 14.131 -9.793 1.00 0.00 H new ATOM 0 HB3 SER C 30 7.171 14.090 -8.846 1.00 0.00 H new ATOM 0 HG SER C 30 5.917 12.149 -8.604 1.00 0.00 H new ATOM 1995 N GLY C 31 3.621 16.684 -7.649 1.00 0.00 N ATOM 1996 CA GLY C 31 2.285 17.151 -7.959 1.00 0.00 C ATOM 1997 C GLY C 31 1.207 16.440 -7.171 1.00 0.00 C ATOM 1998 O GLY C 31 0.151 16.112 -7.712 1.00 0.00 O ATOM 0 H GLY C 31 4.071 17.159 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY C 31 2.226 18.221 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY C 31 2.097 17.014 -9.024 1.00 0.00 H new ATOM 2002 N LYS C 32 1.458 16.213 -5.888 1.00 0.00 N ATOM 2003 CA LYS C 32 0.475 15.580 -5.016 1.00 0.00 C ATOM 2004 C LYS C 32 -0.001 16.585 -3.973 1.00 0.00 C ATOM 2005 O LYS C 32 -1.174 16.623 -3.613 1.00 0.00 O ATOM 2006 CB LYS C 32 1.088 14.387 -4.292 1.00 0.00 C ATOM 2007 CG LYS C 32 1.914 13.472 -5.179 1.00 0.00 C ATOM 2008 CD LYS C 32 2.372 12.246 -4.411 1.00 0.00 C ATOM 2009 CE LYS C 32 2.950 12.621 -3.057 1.00 0.00 C ATOM 2010 NZ LYS C 32 3.334 11.428 -2.272 1.00 0.00 N ATOM 0 H LYS C 32 2.334 16.458 -5.427 1.00 0.00 H new ATOM 0 HA LYS C 32 -0.360 15.241 -5.629 1.00 0.00 H new ATOM 0 HB2 LYS C 32 1.718 14.754 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS C 32 0.288 13.805 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS C 32 1.324 13.166 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS C 32 2.780 14.013 -5.560 1.00 0.00 H new ATOM 0 HD2 LYS C 32 1.531 11.567 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS C 32 3.122 11.710 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS C 32 3.823 13.259 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS C 32 2.217 13.203 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS C 32 3.154 11.604 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS C 32 2.773 10.610 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS C 32 4.345 11.229 -2.414 1.00 0.00 H new ATOM 2024 N GLY C 33 0.943 17.388 -3.473 1.00 0.00 N ATOM 2025 CA GLY C 33 0.654 18.354 -2.450 1.00 0.00 C ATOM 2026 C GLY C 33 1.421 18.042 -1.182 1.00 0.00 C ATOM 2027 O GLY C 33 1.975 18.936 -0.546 1.00 0.00 O ATOM 0 H GLY C 33 1.917 17.375 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.915 19.352 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.416 18.360 -2.241 1.00 0.00 H new ATOM 2031 N VAL C 34 1.523 16.760 -0.855 1.00 0.00 N ATOM 2032 CA VAL C 34 2.157 16.337 0.388 1.00 0.00 C ATOM 2033 C VAL C 34 3.447 15.552 0.141 1.00 0.00 C ATOM 2034 O VAL C 34 3.711 15.094 -0.976 1.00 0.00 O ATOM 2035 CB VAL C 34 1.190 15.466 1.222 1.00 0.00 C ATOM 2036 CG1 VAL C 34 -0.050 16.255 1.627 1.00 0.00 C ATOM 2037 CG2 VAL C 34 0.792 14.218 0.448 1.00 0.00 C ATOM 0 H VAL C 34 1.175 15.995 -1.433 1.00 0.00 H new ATOM 0 HA VAL C 34 2.408 17.245 0.936 1.00 0.00 H new ATOM 0 HB VAL C 34 1.711 15.163 2.130 1.00 0.00 H new ATOM 0 HG11 VAL C 34 -0.712 15.617 2.212 1.00 0.00 H new ATOM 0 HG12 VAL C 34 0.246 17.117 2.225 1.00 0.00 H new ATOM 0 HG13 VAL C 34 -0.572 16.596 0.733 1.00 0.00 H new ATOM 0 HG21 VAL C 34 0.111 13.617 1.051 1.00 0.00 H new ATOM 0 HG22 VAL C 34 0.297 14.507 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL C 34 1.683 13.634 0.216 1.00 0.00 H new ATOM 2047 N ILE C 35 4.252 15.441 1.193 1.00 0.00 N ATOM 2048 CA ILE C 35 5.469 14.632 1.190 1.00 0.00 C ATOM 2049 C ILE C 35 5.436 13.628 2.339 1.00 0.00 C ATOM 2050 O ILE C 35 4.692 13.801 3.294 1.00 0.00 O ATOM 2051 CB ILE C 35 6.735 15.505 1.322 1.00 0.00 C ATOM 2052 CG1 ILE C 35 6.550 16.544 2.429 1.00 0.00 C ATOM 2053 CG2 ILE C 35 7.059 16.174 -0.004 1.00 0.00 C ATOM 2054 CD1 ILE C 35 7.792 17.358 2.725 1.00 0.00 C ATOM 0 H ILE C 35 4.078 15.914 2.080 1.00 0.00 H new ATOM 0 HA ILE C 35 5.508 14.108 0.235 1.00 0.00 H new ATOM 0 HB ILE C 35 7.575 14.866 1.592 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.744 17.221 2.147 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.235 16.036 3.341 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.954 16.786 0.106 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.232 15.412 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE C 35 6.223 16.805 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE C 35 7.578 18.071 3.521 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.596 16.693 3.040 1.00 0.00 H new ATOM 0 HD13 ILE C 35 8.097 17.896 1.827 1.00 0.00 H new ATOM 2066 N LEU C 36 6.252 12.589 2.247 1.00 0.00 N ATOM 2067 CA LEU C 36 6.185 11.488 3.204 1.00 0.00 C ATOM 2068 C LEU C 36 7.030 11.720 4.446 1.00 0.00 C ATOM 2069 O LEU C 36 7.993 12.487 4.441 1.00 0.00 O ATOM 2070 CB LEU C 36 6.640 10.181 2.554 1.00 0.00 C ATOM 2071 CG LEU C 36 5.855 9.759 1.322 1.00 0.00 C ATOM 2072 CD1 LEU C 36 6.584 10.166 0.051 1.00 0.00 C ATOM 2073 CD2 LEU C 36 5.605 8.265 1.355 1.00 0.00 C ATOM 0 H LEU C 36 6.965 12.482 1.525 1.00 0.00 H new ATOM 0 HA LEU C 36 5.141 11.428 3.510 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.690 10.278 2.279 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.576 9.385 3.295 1.00 0.00 H new ATOM 0 HG LEU C 36 4.892 10.270 1.326 1.00 0.00 H new ATOM 0 HD11 LEU C 36 6.004 9.854 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU C 36 6.709 11.249 0.034 1.00 0.00 H new ATOM 0 HD13 LEU C 36 7.563 9.688 0.024 1.00 0.00 H new ATOM 0 HD21 LEU C 36 5.042 7.971 0.469 1.00 0.00 H new ATOM 0 HD22 LEU C 36 6.558 7.737 1.371 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.034 8.011 2.248 1.00 0.00 H new ATOM 2085 N THR C 37 6.639 11.032 5.509 1.00 0.00 N ATOM 2086 CA THR C 37 7.432 10.936 6.720 1.00 0.00 C ATOM 2087 C THR C 37 8.013 9.525 6.797 1.00 0.00 C ATOM 2088 O THR C 37 7.685 8.692 5.956 1.00 0.00 O ATOM 2089 CB THR C 37 6.585 11.241 7.981 1.00 0.00 C ATOM 2090 OG1 THR C 37 7.388 11.145 9.164 1.00 0.00 O ATOM 2091 CG2 THR C 37 5.405 10.287 8.092 1.00 0.00 C ATOM 0 H THR C 37 5.757 10.522 5.553 1.00 0.00 H new ATOM 0 HA THR C 37 8.231 11.676 6.687 1.00 0.00 H new ATOM 0 HB THR C 37 6.206 12.259 7.884 1.00 0.00 H new ATOM 0 HG1 THR C 37 6.837 11.342 9.950 1.00 0.00 H new ATOM 0 HG21 THR C 37 4.828 10.524 8.986 1.00 0.00 H new ATOM 0 HG22 THR C 37 4.770 10.390 7.212 1.00 0.00 H new ATOM 0 HG23 THR C 37 5.771 9.262 8.157 1.00 0.00 H new ATOM 2099 N ALA C 38 8.855 9.252 7.786 1.00 0.00 N ATOM 2100 CA ALA C 38 9.548 7.963 7.884 1.00 0.00 C ATOM 2101 C ALA C 38 8.586 6.778 7.819 1.00 0.00 C ATOM 2102 O ALA C 38 8.845 5.809 7.104 1.00 0.00 O ATOM 2103 CB ALA C 38 10.378 7.906 9.152 1.00 0.00 C ATOM 0 H ALA C 38 9.078 9.905 8.537 1.00 0.00 H new ATOM 0 HA ALA C 38 10.208 7.885 7.020 1.00 0.00 H new ATOM 0 HB1 ALA C 38 10.886 6.944 9.211 1.00 0.00 H new ATOM 0 HB2 ALA C 38 11.117 8.707 9.139 1.00 0.00 H new ATOM 0 HB3 ALA C 38 9.728 8.026 10.018 1.00 0.00 H new ATOM 2109 N GLN C 39 7.485 6.847 8.566 1.00 0.00 N ATOM 2110 CA GLN C 39 6.478 5.786 8.530 1.00 0.00 C ATOM 2111 C GLN C 39 5.935 5.602 7.113 1.00 0.00 C ATOM 2112 O GLN C 39 5.791 4.478 6.632 1.00 0.00 O ATOM 2113 CB GLN C 39 5.327 6.089 9.492 1.00 0.00 C ATOM 2114 CG GLN C 39 4.556 4.844 9.902 1.00 0.00 C ATOM 2115 CD GLN C 39 3.472 5.120 10.925 1.00 0.00 C ATOM 2116 OE1 GLN C 39 2.233 5.183 10.474 1.00 0.00 O flip ATOM 2117 NE2 GLN C 39 3.743 5.207 12.119 1.00 0.00 N flip ATOM 0 H GLN C 39 7.268 7.618 9.198 1.00 0.00 H new ATOM 0 HA GLN C 39 6.961 4.861 8.845 1.00 0.00 H new ATOM 0 HB2 GLN C 39 5.723 6.575 10.384 1.00 0.00 H new ATOM 0 HB3 GLN C 39 4.643 6.795 9.021 1.00 0.00 H new ATOM 0 HG2 GLN C 39 4.105 4.396 9.016 1.00 0.00 H new ATOM 0 HG3 GLN C 39 5.253 4.111 10.310 1.00 0.00 H new ATOM 0 HE21 GLN C 39 4.714 5.153 12.427 1.00 0.00 H new ATOM 0 HE22 GLN C 39 2.997 5.333 12.803 1.00 0.00 H new ATOM 2126 N GLY C 40 5.651 6.716 6.448 1.00 0.00 N ATOM 2127 CA GLY C 40 5.179 6.674 5.081 1.00 0.00 C ATOM 2128 C GLY C 40 6.250 6.193 4.126 1.00 0.00 C ATOM 2129 O GLY C 40 5.956 5.561 3.118 1.00 0.00 O ATOM 0 H GLY C 40 5.741 7.654 6.838 1.00 0.00 H new ATOM 0 HA2 GLY C 40 4.313 6.015 5.016 1.00 0.00 H new ATOM 0 HA3 GLY C 40 4.846 7.668 4.782 1.00 0.00 H new ATOM 2133 N TYR C 41 7.502 6.477 4.453 1.00 0.00 N ATOM 2134 CA TYR C 41 8.617 6.023 3.640 1.00 0.00 C ATOM 2135 C TYR C 41 8.782 4.514 3.736 1.00 0.00 C ATOM 2136 O TYR C 41 9.157 3.863 2.759 1.00 0.00 O ATOM 2137 CB TYR C 41 9.905 6.728 4.083 1.00 0.00 C ATOM 2138 CG TYR C 41 10.182 8.026 3.354 1.00 0.00 C ATOM 2139 CD1 TYR C 41 10.680 8.023 2.058 1.00 0.00 C ATOM 2140 CD2 TYR C 41 9.941 9.253 3.957 1.00 0.00 C ATOM 2141 CE1 TYR C 41 10.933 9.204 1.385 1.00 0.00 C ATOM 2142 CE2 TYR C 41 10.190 10.440 3.292 1.00 0.00 C ATOM 2143 CZ TYR C 41 10.684 10.409 2.005 1.00 0.00 C ATOM 2144 OH TYR C 41 10.928 11.590 1.337 1.00 0.00 O ATOM 0 H TYR C 41 7.770 7.019 5.275 1.00 0.00 H new ATOM 0 HA TYR C 41 8.411 6.274 2.600 1.00 0.00 H new ATOM 0 HB2 TYR C 41 9.846 6.930 5.153 1.00 0.00 H new ATOM 0 HB3 TYR C 41 10.747 6.052 3.932 1.00 0.00 H new ATOM 0 HD1 TYR C 41 10.873 7.081 1.567 1.00 0.00 H new ATOM 0 HD2 TYR C 41 9.552 9.281 4.964 1.00 0.00 H new ATOM 0 HE1 TYR C 41 11.324 9.182 0.378 1.00 0.00 H new ATOM 0 HE2 TYR C 41 9.999 11.385 3.778 1.00 0.00 H new ATOM 0 HH TYR C 41 10.698 12.347 1.916 1.00 0.00 H new ATOM 2154 N THR C 42 8.467 3.952 4.891 1.00 0.00 N ATOM 2155 CA THR C 42 8.461 2.507 5.048 1.00 0.00 C ATOM 2156 C THR C 42 7.307 1.882 4.268 1.00 0.00 C ATOM 2157 O THR C 42 7.439 0.804 3.679 1.00 0.00 O ATOM 2158 CB THR C 42 8.313 2.135 6.530 1.00 0.00 C ATOM 2159 OG1 THR C 42 9.271 2.862 7.303 1.00 0.00 O ATOM 2160 CG2 THR C 42 8.503 0.645 6.743 1.00 0.00 C ATOM 0 H THR C 42 8.213 4.472 5.731 1.00 0.00 H new ATOM 0 HA THR C 42 9.406 2.125 4.662 1.00 0.00 H new ATOM 0 HB THR C 42 7.305 2.396 6.851 1.00 0.00 H new ATOM 0 HG1 THR C 42 9.010 3.806 7.344 1.00 0.00 H new ATOM 0 HG21 THR C 42 8.392 0.412 7.802 1.00 0.00 H new ATOM 0 HG22 THR C 42 7.754 0.097 6.171 1.00 0.00 H new ATOM 0 HG23 THR C 42 9.499 0.354 6.409 1.00 0.00 H new ATOM 2168 N LEU C 43 6.191 2.594 4.224 1.00 0.00 N ATOM 2169 CA LEU C 43 4.983 2.067 3.619 1.00 0.00 C ATOM 2170 C LEU C 43 4.968 2.335 2.123 1.00 0.00 C ATOM 2171 O LEU C 43 4.191 1.725 1.399 1.00 0.00 O ATOM 2172 CB LEU C 43 3.732 2.672 4.280 1.00 0.00 C ATOM 2173 CG LEU C 43 3.050 1.814 5.365 1.00 0.00 C ATOM 2174 CD1 LEU C 43 4.044 1.411 6.443 1.00 0.00 C ATOM 2175 CD2 LEU C 43 1.894 2.580 5.980 1.00 0.00 C ATOM 0 H LEU C 43 6.099 3.538 4.601 1.00 0.00 H new ATOM 0 HA LEU C 43 4.971 0.989 3.778 1.00 0.00 H new ATOM 0 HB2 LEU C 43 4.008 3.629 4.724 1.00 0.00 H new ATOM 0 HB3 LEU C 43 3.000 2.882 3.500 1.00 0.00 H new ATOM 0 HG LEU C 43 2.669 0.906 4.897 1.00 0.00 H new ATOM 0 HD11 LEU C 43 3.539 0.807 7.196 1.00 0.00 H new ATOM 0 HD12 LEU C 43 4.852 0.832 5.995 1.00 0.00 H new ATOM 0 HD13 LEU C 43 4.455 2.305 6.911 1.00 0.00 H new ATOM 0 HD21 LEU C 43 1.418 1.967 6.745 1.00 0.00 H new ATOM 0 HD22 LEU C 43 2.266 3.500 6.431 1.00 0.00 H new ATOM 0 HD23 LEU C 43 1.166 2.824 5.206 1.00 0.00 H new ATOM 2187 N LEU C 44 5.839 3.219 1.637 1.00 0.00 N ATOM 2188 CA LEU C 44 5.879 3.495 0.212 1.00 0.00 C ATOM 2189 C LEU C 44 6.703 2.426 -0.495 1.00 0.00 C ATOM 2190 O LEU C 44 6.308 1.929 -1.538 1.00 0.00 O ATOM 2191 CB LEU C 44 6.408 4.922 -0.084 1.00 0.00 C ATOM 2192 CG LEU C 44 7.930 5.101 -0.263 1.00 0.00 C ATOM 2193 CD1 LEU C 44 8.382 4.667 -1.653 1.00 0.00 C ATOM 2194 CD2 LEU C 44 8.324 6.551 -0.048 1.00 0.00 C ATOM 0 H LEU C 44 6.510 3.743 2.199 1.00 0.00 H new ATOM 0 HA LEU C 44 4.861 3.461 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU C 44 5.920 5.279 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU C 44 6.087 5.574 0.729 1.00 0.00 H new ATOM 0 HG LEU C 44 8.419 4.471 0.480 1.00 0.00 H new ATOM 0 HD11 LEU C 44 9.459 4.806 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU C 44 8.138 3.615 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU C 44 7.873 5.269 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU C 44 9.401 6.659 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU C 44 7.806 7.180 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU C 44 8.048 6.857 0.961 1.00 0.00 H new ATOM 2206 N ASP C 45 7.828 2.043 0.099 1.00 0.00 N ATOM 2207 CA ASP C 45 8.725 1.076 -0.532 1.00 0.00 C ATOM 2208 C ASP C 45 8.102 -0.306 -0.546 1.00 0.00 C ATOM 2209 O ASP C 45 8.383 -1.119 -1.426 1.00 0.00 O ATOM 2210 CB ASP C 45 10.069 1.045 0.202 1.00 0.00 C ATOM 2211 CG ASP C 45 10.951 -0.122 -0.216 1.00 0.00 C ATOM 2212 OD1 ASP C 45 11.613 -0.025 -1.269 1.00 0.00 O ATOM 2213 OD2 ASP C 45 10.996 -1.136 0.513 1.00 0.00 O ATOM 0 H ASP C 45 8.141 2.383 1.009 1.00 0.00 H new ATOM 0 HA ASP C 45 8.893 1.385 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP C 45 10.600 1.979 0.015 1.00 0.00 H new ATOM 0 HB3 ASP C 45 9.889 0.990 1.276 1.00 0.00 H new ATOM 2218 N PHE C 46 7.203 -0.547 0.388 1.00 0.00 N ATOM 2219 CA PHE C 46 6.484 -1.803 0.427 1.00 0.00 C ATOM 2220 C PHE C 46 5.429 -1.839 -0.658 1.00 0.00 C ATOM 2221 O PHE C 46 5.242 -2.857 -1.323 1.00 0.00 O ATOM 2222 CB PHE C 46 5.804 -1.952 1.784 1.00 0.00 C ATOM 2223 CG PHE C 46 5.120 -3.269 1.993 1.00 0.00 C ATOM 2224 CD1 PHE C 46 5.816 -4.348 2.510 1.00 0.00 C ATOM 2225 CD2 PHE C 46 3.780 -3.426 1.683 1.00 0.00 C ATOM 2226 CE1 PHE C 46 5.188 -5.559 2.710 1.00 0.00 C ATOM 2227 CE2 PHE C 46 3.148 -4.635 1.880 1.00 0.00 C ATOM 2228 CZ PHE C 46 3.854 -5.702 2.394 1.00 0.00 C ATOM 0 H PHE C 46 6.954 0.109 1.128 1.00 0.00 H new ATOM 0 HA PHE C 46 7.190 -2.618 0.267 1.00 0.00 H new ATOM 0 HB2 PHE C 46 6.550 -1.815 2.567 1.00 0.00 H new ATOM 0 HB3 PHE C 46 5.071 -1.154 1.899 1.00 0.00 H new ATOM 0 HD1 PHE C 46 6.861 -4.240 2.759 1.00 0.00 H new ATOM 0 HD2 PHE C 46 3.223 -2.592 1.282 1.00 0.00 H new ATOM 0 HE1 PHE C 46 5.741 -6.394 3.114 1.00 0.00 H new ATOM 0 HE2 PHE C 46 2.103 -4.746 1.632 1.00 0.00 H new ATOM 0 HZ PHE C 46 3.361 -6.651 2.549 1.00 0.00 H new ATOM 2238 N ILE C 47 4.760 -0.729 -0.869 1.00 0.00 N ATOM 2239 CA ILE C 47 3.698 -0.710 -1.844 1.00 0.00 C ATOM 2240 C ILE C 47 4.270 -0.591 -3.256 1.00 0.00 C ATOM 2241 O ILE C 47 3.719 -1.131 -4.213 1.00 0.00 O ATOM 2242 CB ILE C 47 2.682 0.411 -1.557 1.00 0.00 C ATOM 2243 CG1 ILE C 47 3.358 1.782 -1.626 1.00 0.00 C ATOM 2244 CG2 ILE C 47 2.071 0.190 -0.183 1.00 0.00 C ATOM 2245 CD1 ILE C 47 2.443 2.942 -1.299 1.00 0.00 C ATOM 0 H ILE C 47 4.928 0.155 -0.389 1.00 0.00 H new ATOM 0 HA ILE C 47 3.160 -1.655 -1.771 1.00 0.00 H new ATOM 0 HB ILE C 47 1.896 0.386 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.202 1.794 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE C 47 3.763 1.925 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE C 47 1.351 0.981 0.026 1.00 0.00 H new ATOM 0 HG22 ILE C 47 1.567 -0.776 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE C 47 2.857 0.207 0.572 1.00 0.00 H new ATOM 0 HD11 ILE C 47 3.000 3.876 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE C 47 1.612 2.960 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE C 47 2.057 2.827 -0.286 1.00 0.00 H new ATOM 2257 N GLN C 48 5.401 0.087 -3.363 1.00 0.00 N ATOM 2258 CA GLN C 48 6.189 0.082 -4.576 1.00 0.00 C ATOM 2259 C GLN C 48 6.523 -1.355 -4.967 1.00 0.00 C ATOM 2260 O GLN C 48 6.084 -1.848 -5.987 1.00 0.00 O ATOM 2261 CB GLN C 48 7.485 0.865 -4.352 1.00 0.00 C ATOM 2262 CG GLN C 48 7.298 2.367 -4.203 1.00 0.00 C ATOM 2263 CD GLN C 48 6.691 3.019 -5.428 1.00 0.00 C ATOM 2264 OE1 GLN C 48 6.900 2.575 -6.555 1.00 0.00 O ATOM 2265 NE2 GLN C 48 5.933 4.080 -5.212 1.00 0.00 N ATOM 0 H GLN C 48 5.794 0.654 -2.612 1.00 0.00 H new ATOM 0 HA GLN C 48 5.617 0.551 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN C 48 7.975 0.482 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN C 48 8.157 0.677 -5.189 1.00 0.00 H new ATOM 0 HG2 GLN C 48 6.660 2.563 -3.342 1.00 0.00 H new ATOM 0 HG3 GLN C 48 8.264 2.828 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN C 48 5.785 4.416 -4.260 1.00 0.00 H new ATOM 0 HE22 GLN C 48 5.496 4.563 -5.997 1.00 0.00 H new ATOM 2274 N LYS C 49 7.188 -2.044 -4.066 1.00 0.00 N ATOM 2275 CA LYS C 49 7.862 -3.310 -4.352 1.00 0.00 C ATOM 2276 C LYS C 49 6.895 -4.509 -4.403 1.00 0.00 C ATOM 2277 O LYS C 49 7.316 -5.650 -4.593 1.00 0.00 O ATOM 2278 CB LYS C 49 8.961 -3.461 -3.291 1.00 0.00 C ATOM 2279 CG LYS C 49 9.724 -4.774 -3.273 1.00 0.00 C ATOM 2280 CD LYS C 49 10.955 -4.673 -2.374 1.00 0.00 C ATOM 2281 CE LYS C 49 10.637 -3.991 -1.045 1.00 0.00 C ATOM 2282 NZ LYS C 49 11.860 -3.688 -0.261 1.00 0.00 N ATOM 0 H LYS C 49 7.282 -1.743 -3.096 1.00 0.00 H new ATOM 0 HA LYS C 49 8.298 -3.298 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS C 49 9.680 -2.653 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS C 49 8.507 -3.319 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS C 49 9.073 -5.573 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS C 49 10.028 -5.037 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS C 49 11.349 -5.672 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS C 49 11.736 -4.115 -2.890 1.00 0.00 H new ATOM 0 HE2 LYS C 49 10.091 -3.067 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS C 49 9.981 -4.633 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 11.777 -2.740 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 11.971 -4.393 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 12.690 -3.718 -0.887 1.00 0.00 H new ATOM 2296 N HIS C 50 5.595 -4.278 -4.209 1.00 0.00 N ATOM 2297 CA HIS C 50 4.644 -5.334 -4.589 1.00 0.00 C ATOM 2298 C HIS C 50 3.680 -4.929 -5.706 1.00 0.00 C ATOM 2299 O HIS C 50 2.862 -5.746 -6.127 1.00 0.00 O ATOM 2300 CB HIS C 50 3.842 -5.803 -3.373 1.00 0.00 C ATOM 2301 CG HIS C 50 4.709 -6.265 -2.251 1.00 0.00 C ATOM 2302 ND1 HIS C 50 5.196 -5.414 -1.291 1.00 0.00 N ATOM 2303 CD2 HIS C 50 5.213 -7.483 -1.958 1.00 0.00 C ATOM 2304 CE1 HIS C 50 5.965 -6.077 -0.462 1.00 0.00 C ATOM 2305 NE2 HIS C 50 5.994 -7.335 -0.840 1.00 0.00 N ATOM 0 H HIS C 50 5.191 -3.428 -3.817 1.00 0.00 H new ATOM 0 HA HIS C 50 5.255 -6.148 -4.978 1.00 0.00 H new ATOM 0 HB2 HIS C 50 3.209 -4.987 -3.024 1.00 0.00 H new ATOM 0 HB3 HIS C 50 3.179 -6.615 -3.672 1.00 0.00 H new ATOM 0 HD1 HIS C 50 4.991 -4.417 -1.232 1.00 0.00 H new ATOM 0 HD2 HIS C 50 5.035 -8.400 -2.501 1.00 0.00 H new ATOM 0 HE1 HIS C 50 6.486 -5.660 0.387 1.00 0.00 H new ATOM 0 HE2 HIS C 50 6.513 -8.081 -0.377 1.00 0.00 H new ATOM 2314 N LEU C 51 3.757 -3.699 -6.195 1.00 0.00 N ATOM 2315 CA LEU C 51 2.924 -3.307 -7.337 1.00 0.00 C ATOM 2316 C LEU C 51 3.785 -2.831 -8.504 1.00 0.00 C ATOM 2317 O LEU C 51 3.581 -3.228 -9.651 1.00 0.00 O ATOM 2318 CB LEU C 51 1.930 -2.186 -6.983 1.00 0.00 C ATOM 2319 CG LEU C 51 0.749 -2.549 -6.057 1.00 0.00 C ATOM 2320 CD1 LEU C 51 -0.016 -3.763 -6.568 1.00 0.00 C ATOM 2321 CD2 LEU C 51 1.218 -2.778 -4.637 1.00 0.00 C ATOM 0 H LEU C 51 4.369 -2.967 -5.834 1.00 0.00 H new ATOM 0 HA LEU C 51 2.363 -4.198 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU C 51 2.489 -1.376 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU C 51 1.520 -1.793 -7.913 1.00 0.00 H new ATOM 0 HG LEU C 51 0.067 -1.699 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -0.839 -3.987 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -0.412 -3.552 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU C 51 0.655 -4.621 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU C 51 0.364 -3.032 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU C 51 1.938 -3.596 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU C 51 1.690 -1.871 -4.259 1.00 0.00 H new ATOM 2333 N ASN C 52 4.763 -2.001 -8.195 1.00 0.00 N ATOM 2334 CA ASN C 52 5.480 -1.234 -9.204 1.00 0.00 C ATOM 2335 C ASN C 52 6.990 -1.474 -9.178 1.00 0.00 C ATOM 2336 O ASN C 52 7.685 -1.166 -10.144 1.00 0.00 O ATOM 2337 CB ASN C 52 5.169 0.245 -9.003 1.00 0.00 C ATOM 2338 CG ASN C 52 4.141 0.744 -10.005 1.00 0.00 C ATOM 2339 OD1 ASN C 52 3.321 1.611 -9.699 1.00 0.00 O ATOM 2340 ND2 ASN C 52 4.187 0.213 -11.221 1.00 0.00 N ATOM 0 H ASN C 52 5.085 -1.837 -7.241 1.00 0.00 H new ATOM 0 HA ASN C 52 5.141 -1.568 -10.185 1.00 0.00 H new ATOM 0 HB2 ASN C 52 4.798 0.405 -7.991 1.00 0.00 H new ATOM 0 HB3 ASN C 52 6.086 0.826 -9.102 1.00 0.00 H new ATOM 0 HD21 ASN C 52 3.530 0.521 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN C 52 4.880 -0.503 -11.439 1.00 0.00 H new ATOM 2347 N LYS C 53 7.489 -2.022 -8.089 1.00 0.00 N ATOM 2348 CA LYS C 53 8.884 -2.403 -7.984 1.00 0.00 C ATOM 2349 C LYS C 53 8.994 -3.919 -7.996 1.00 0.00 C ATOM 2350 O LYS C 53 8.872 -4.531 -6.922 1.00 0.00 O ATOM 2351 CB LYS C 53 9.505 -1.870 -6.693 1.00 0.00 C ATOM 2352 CG LYS C 53 10.475 -0.723 -6.894 1.00 0.00 C ATOM 2353 CD LYS C 53 11.328 -0.508 -5.648 1.00 0.00 C ATOM 2354 CE LYS C 53 10.770 0.589 -4.761 1.00 0.00 C ATOM 2355 NZ LYS C 53 11.715 0.966 -3.676 1.00 0.00 N ATOM 2356 OXT LYS C 53 9.190 -4.489 -9.092 1.00 0.00 O ATOM 0 H LYS C 53 6.940 -2.216 -7.252 1.00 0.00 H new ATOM 0 HA LYS C 53 9.420 -1.975 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS C 53 8.706 -1.542 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS C 53 10.024 -2.686 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS C 53 11.118 -0.931 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS C 53 9.924 0.189 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS C 53 11.385 -1.438 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS C 53 12.345 -0.253 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS C 53 10.546 1.467 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS C 53 9.829 0.257 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS C 53 11.857 1.996 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS C 53 11.323 0.675 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS C 53 12.627 0.490 -3.829 1.00 0.00 H new