USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 919 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 150:sc= -0.228 USER MOD Set 1.2: A 89 GLN : amide:sc= -2.44! K(o=-2.7!,f=1.1) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -109:sc= 0.113 (180deg=0) USER MOD Set 2.2: A 67 TYR OH : rot 2:sc= 0.109 USER MOD Set 3.1: A 27 GLN : amide:sc= -0.89 K(o=-1.9,f=-1) USER MOD Set 3.2: A 110 CYS SG : rot 97:sc= -0.0494 USER MOD Set 3.3: A 112 ASN : amide:sc= -0.973 K(o=-1.9,f=-0.48) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 0.647 (180deg=0.508) USER MOD Single : A 18 THR OG1 : rot -48:sc= 1 USER MOD Single : A 20 SER OG : rot 130:sc= -0.482 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.658 K(o=-0.66,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.0754 (180deg=-0.544) USER MOD Single : A 37 SER OG : rot -84:sc= 0.92 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -12.1! C(o=-12!,f=-16!) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= -0.0457 (180deg=-0.483) USER MOD Single : A 51 SER OG : rot 76:sc= 0.0376 USER MOD Single : A 53 SER OG : rot -160:sc= -0.027 USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= -2.11! (180deg=-2.14!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -29:sc= 0.123 USER MOD Single : A 60 GLN : amide:sc= -0.0418 X(o=-0.042,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -0.0295 K(o=-0.029,f=-4.4!) USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= 0.00139 (180deg=0) USER MOD Single : A 71 SER OG : rot 140:sc= 0.507 USER MOD Single : A 74 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.4!) USER MOD Single : A 77 TYR OH : rot -50:sc= 0.0589 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.416 K(o=-0.42,f=-1.6) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 95 TYR OH : rot 168:sc= 0 USER MOD Single : A 96 SER OG : rot 10:sc= 0.675 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 141:sc= 0.0315 (180deg=-1.03) USER MOD Single : A 103 CYS SG : rot -36:sc= 0.885 USER MOD Single : A 104 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.2) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.333 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.561 -12.175 -30.127 1.00 0.00 N ATOM 2 CA GLY A 1 7.718 -11.327 -30.399 1.00 0.00 C ATOM 3 C GLY A 1 7.432 -9.836 -30.205 1.00 0.00 C ATOM 4 O GLY A 1 7.878 -9.226 -29.241 1.00 0.00 O ATOM 0 H1 GLY A 1 6.818 -13.172 -30.276 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.255 -12.040 -29.142 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.784 -11.919 -30.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.538 -11.621 -29.744 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.052 -11.496 -31.423 1.00 0.00 H new ATOM 10 N SER A 2 6.657 -9.296 -31.171 1.00 0.00 N ATOM 11 CA SER A 2 6.284 -7.880 -31.128 1.00 0.00 C ATOM 12 C SER A 2 5.180 -7.690 -30.067 1.00 0.00 C ATOM 13 O SER A 2 5.424 -7.171 -28.986 1.00 0.00 O ATOM 14 CB SER A 2 5.829 -7.447 -32.554 1.00 0.00 C ATOM 15 OG SER A 2 5.115 -6.165 -32.778 1.00 0.00 O ATOM 0 H SER A 2 6.288 -9.812 -31.970 1.00 0.00 H new ATOM 0 HA SER A 2 7.125 -7.248 -30.841 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.721 -7.428 -33.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.187 -8.240 -32.937 1.00 0.00 H new ATOM 0 HG SER A 2 4.913 -6.065 -33.732 1.00 0.00 H new ATOM 21 N VAL A 3 3.968 -8.154 -30.438 1.00 0.00 N ATOM 22 CA VAL A 3 2.820 -8.079 -29.539 1.00 0.00 C ATOM 23 C VAL A 3 2.833 -9.292 -28.597 1.00 0.00 C ATOM 24 O VAL A 3 3.576 -10.248 -28.793 1.00 0.00 O ATOM 25 CB VAL A 3 1.515 -8.034 -30.355 1.00 0.00 C ATOM 26 CG1 VAL A 3 1.452 -6.764 -31.209 1.00 0.00 C ATOM 27 CG2 VAL A 3 1.317 -9.292 -31.221 1.00 0.00 C ATOM 0 H VAL A 3 3.770 -8.578 -31.344 1.00 0.00 H new ATOM 0 HA VAL A 3 2.879 -7.169 -28.942 1.00 0.00 H new ATOM 0 HB VAL A 3 0.693 -8.013 -29.640 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.522 -6.753 -31.777 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.492 -5.888 -30.562 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.297 -6.746 -31.897 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.382 -9.209 -31.775 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.147 -9.386 -31.921 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.281 -10.173 -30.580 1.00 0.00 H new ATOM 37 N ALA A 4 1.960 -9.190 -27.574 1.00 0.00 N ATOM 38 CA ALA A 4 1.866 -10.273 -26.607 1.00 0.00 C ATOM 39 C ALA A 4 0.520 -10.175 -25.864 1.00 0.00 C ATOM 40 O ALA A 4 -0.060 -9.101 -25.751 1.00 0.00 O ATOM 41 CB ALA A 4 3.044 -10.181 -25.622 1.00 0.00 C ATOM 0 H ALA A 4 1.338 -8.398 -27.409 1.00 0.00 H new ATOM 0 HA ALA A 4 1.914 -11.236 -27.115 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.976 -10.992 -24.896 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.983 -10.262 -26.169 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.009 -9.224 -25.101 1.00 0.00 H new ATOM 47 N PRO A 5 0.038 -11.355 -25.367 1.00 0.00 N ATOM 48 CA PRO A 5 -1.208 -11.434 -24.607 1.00 0.00 C ATOM 49 C PRO A 5 -1.128 -10.620 -23.309 1.00 0.00 C ATOM 50 O PRO A 5 -0.050 -10.397 -22.773 1.00 0.00 O ATOM 51 CB PRO A 5 -1.403 -12.922 -24.273 1.00 0.00 C ATOM 52 CG PRO A 5 -0.198 -13.677 -24.839 1.00 0.00 C ATOM 53 CD PRO A 5 0.696 -12.651 -25.534 1.00 0.00 C ATOM 0 HA PRO A 5 -2.037 -11.026 -25.186 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.476 -13.068 -23.195 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.330 -13.295 -24.709 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.346 -14.184 -24.042 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.521 -14.444 -25.543 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.693 -12.641 -25.093 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.817 -12.893 -26.590 1.00 0.00 H new ATOM 61 N VAL A 6 -2.324 -10.172 -22.868 1.00 0.00 N ATOM 62 CA VAL A 6 -2.446 -9.393 -21.635 1.00 0.00 C ATOM 63 C VAL A 6 -1.723 -8.046 -21.801 1.00 0.00 C ATOM 64 O VAL A 6 -0.653 -7.817 -21.251 1.00 0.00 O ATOM 65 CB VAL A 6 -1.918 -10.187 -20.413 1.00 0.00 C ATOM 66 CG1 VAL A 6 -2.025 -9.382 -19.109 1.00 0.00 C ATOM 67 CG2 VAL A 6 -2.639 -11.537 -20.275 1.00 0.00 C ATOM 0 H VAL A 6 -3.207 -10.339 -23.350 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.501 -9.194 -21.444 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.860 -10.377 -20.594 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.643 -9.979 -18.281 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.439 -8.467 -19.197 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.069 -9.128 -18.923 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.248 -12.072 -19.409 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.708 -11.367 -20.144 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.474 -12.131 -21.174 1.00 0.00 H new ATOM 77 N GLU A 7 -2.381 -7.174 -22.592 1.00 0.00 N ATOM 78 CA GLU A 7 -1.785 -5.865 -22.841 1.00 0.00 C ATOM 79 C GLU A 7 -2.771 -4.954 -23.586 1.00 0.00 C ATOM 80 O GLU A 7 -2.703 -4.798 -24.797 1.00 0.00 O ATOM 81 CB GLU A 7 -0.484 -6.033 -23.662 1.00 0.00 C ATOM 82 CG GLU A 7 0.454 -4.827 -23.537 1.00 0.00 C ATOM 83 CD GLU A 7 0.067 -3.673 -24.481 1.00 0.00 C ATOM 84 OE1 GLU A 7 0.113 -3.869 -25.695 1.00 0.00 O ATOM 85 OE2 GLU A 7 -0.273 -2.595 -23.991 1.00 0.00 O ATOM 0 H GLU A 7 -3.279 -7.347 -23.045 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.548 -5.399 -21.885 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.038 -6.930 -23.329 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.738 -6.183 -24.711 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.443 -4.468 -22.508 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.475 -5.142 -23.754 1.00 0.00 H new ATOM 92 N THR A 8 -3.685 -4.364 -22.790 1.00 0.00 N ATOM 93 CA THR A 8 -4.703 -3.493 -23.373 1.00 0.00 C ATOM 94 C THR A 8 -5.232 -2.459 -22.368 1.00 0.00 C ATOM 95 O THR A 8 -5.049 -1.259 -22.521 1.00 0.00 O ATOM 96 CB THR A 8 -5.894 -4.393 -23.834 1.00 0.00 C ATOM 97 OG1 THR A 8 -6.573 -5.246 -22.852 1.00 0.00 O ATOM 98 CG2 THR A 8 -5.488 -5.203 -25.085 1.00 0.00 C ATOM 0 H THR A 8 -3.734 -4.474 -21.777 1.00 0.00 H new ATOM 0 HA THR A 8 -4.254 -2.947 -24.203 1.00 0.00 H new ATOM 0 HB THR A 8 -6.672 -3.660 -24.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.293 -5.743 -23.293 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.323 -5.828 -25.401 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.222 -4.519 -25.891 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.632 -5.834 -24.848 1.00 0.00 H new ATOM 106 N LEU A 9 -5.904 -3.013 -21.337 1.00 0.00 N ATOM 107 CA LEU A 9 -6.506 -2.210 -20.286 1.00 0.00 C ATOM 108 C LEU A 9 -5.470 -1.938 -19.176 1.00 0.00 C ATOM 109 O LEU A 9 -5.696 -2.244 -18.012 1.00 0.00 O ATOM 110 CB LEU A 9 -7.745 -2.943 -19.720 1.00 0.00 C ATOM 111 CG LEU A 9 -8.677 -1.976 -18.966 1.00 0.00 C ATOM 112 CD1 LEU A 9 -9.523 -1.147 -19.950 1.00 0.00 C ATOM 113 CD2 LEU A 9 -9.563 -2.693 -17.929 1.00 0.00 C ATOM 0 H LEU A 9 -6.036 -4.018 -21.222 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.827 -1.252 -20.694 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.293 -3.417 -20.535 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.423 -3.738 -19.048 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.038 -1.293 -18.406 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.173 -0.472 -19.392 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.865 -0.566 -20.596 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.131 -1.815 -20.559 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.199 -1.964 -17.428 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.186 -3.433 -18.432 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.932 -3.190 -17.193 1.00 0.00 H new ATOM 125 N GLU A 10 -4.330 -1.351 -19.603 1.00 0.00 N ATOM 126 CA GLU A 10 -3.249 -1.046 -18.671 1.00 0.00 C ATOM 127 C GLU A 10 -2.709 0.345 -19.003 1.00 0.00 C ATOM 128 O GLU A 10 -3.243 1.322 -18.500 1.00 0.00 O ATOM 129 CB GLU A 10 -2.187 -2.158 -18.707 1.00 0.00 C ATOM 130 CG GLU A 10 -2.662 -3.476 -18.068 1.00 0.00 C ATOM 131 CD GLU A 10 -2.586 -3.447 -16.529 1.00 0.00 C ATOM 132 OE1 GLU A 10 -3.222 -2.597 -15.911 1.00 0.00 O ATOM 133 OE2 GLU A 10 -1.888 -4.286 -15.966 1.00 0.00 O ATOM 0 H GLU A 10 -4.147 -1.087 -20.571 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.604 -1.020 -17.641 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.903 -2.346 -19.742 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.292 -1.813 -18.189 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.689 -3.675 -18.374 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.053 -4.298 -18.443 1.00 0.00 H new ATOM 140 N VAL A 11 -1.642 0.384 -19.853 1.00 0.00 N ATOM 141 CA VAL A 11 -0.978 1.618 -20.317 1.00 0.00 C ATOM 142 C VAL A 11 -0.911 2.679 -19.198 1.00 0.00 C ATOM 143 O VAL A 11 -1.259 3.839 -19.370 1.00 0.00 O ATOM 144 CB VAL A 11 -1.745 2.193 -21.525 1.00 0.00 C ATOM 145 CG1 VAL A 11 -1.674 1.269 -22.746 1.00 0.00 C ATOM 146 CG2 VAL A 11 -3.209 2.497 -21.165 1.00 0.00 C ATOM 0 H VAL A 11 -1.219 -0.462 -20.236 1.00 0.00 H new ATOM 0 HA VAL A 11 0.042 1.365 -20.606 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.254 3.129 -21.791 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.228 1.715 -23.572 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.633 1.132 -23.039 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.110 0.302 -22.496 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.722 2.901 -22.038 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.703 1.579 -20.846 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.241 3.226 -20.356 1.00 0.00 H new ATOM 156 N GLU A 12 -0.342 2.208 -18.087 1.00 0.00 N ATOM 157 CA GLU A 12 -0.309 3.008 -16.867 1.00 0.00 C ATOM 158 C GLU A 12 0.557 2.297 -15.835 1.00 0.00 C ATOM 159 O GLU A 12 0.592 1.078 -15.714 1.00 0.00 O ATOM 160 CB GLU A 12 -1.718 3.135 -16.229 1.00 0.00 C ATOM 161 CG GLU A 12 -2.687 4.105 -16.944 1.00 0.00 C ATOM 162 CD GLU A 12 -3.858 4.637 -16.082 1.00 0.00 C ATOM 163 OE1 GLU A 12 -4.113 4.108 -15.000 1.00 0.00 O ATOM 164 OE2 GLU A 12 -4.504 5.594 -16.511 1.00 0.00 O ATOM 0 H GLU A 12 0.096 1.290 -18.009 1.00 0.00 H new ATOM 0 HA GLU A 12 0.073 3.993 -17.134 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.176 2.146 -16.202 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.602 3.461 -15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.114 4.956 -17.312 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.102 3.599 -17.816 1.00 0.00 H new ATOM 171 N LYS A 13 1.346 3.193 -15.199 1.00 0.00 N ATOM 172 CA LYS A 13 2.282 2.830 -14.165 1.00 0.00 C ATOM 173 C LYS A 13 1.592 2.320 -12.894 1.00 0.00 C ATOM 174 O LYS A 13 2.222 2.300 -11.846 1.00 0.00 O ATOM 175 CB LYS A 13 3.214 3.996 -13.838 1.00 0.00 C ATOM 176 CG LYS A 13 4.191 4.305 -14.951 1.00 0.00 C ATOM 177 CD LYS A 13 4.846 3.070 -15.522 1.00 0.00 C ATOM 178 CE LYS A 13 6.105 3.363 -16.327 1.00 0.00 C ATOM 179 NZ LYS A 13 6.574 2.208 -17.088 1.00 0.00 N ATOM 0 H LYS A 13 1.334 4.192 -15.407 1.00 0.00 H new ATOM 0 HA LYS A 13 2.874 2.004 -14.559 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.617 4.884 -13.630 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.769 3.766 -12.929 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.669 4.834 -15.748 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.962 4.977 -14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.096 2.392 -14.706 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.130 2.551 -16.159 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.909 4.188 -17.012 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.894 3.691 -15.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.264 2.519 -17.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.025 1.527 -16.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.767 1.754 -17.562 1.00 0.00 H new ATOM 193 N TRP A 14 0.342 1.814 -13.006 1.00 0.00 N ATOM 194 CA TRP A 14 -0.274 1.339 -11.784 1.00 0.00 C ATOM 195 C TRP A 14 0.172 -0.128 -11.575 1.00 0.00 C ATOM 196 O TRP A 14 0.563 -0.506 -10.488 1.00 0.00 O ATOM 197 CB TRP A 14 -1.790 1.557 -11.761 1.00 0.00 C ATOM 198 CG TRP A 14 -2.667 0.592 -12.541 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.405 0.930 -13.669 1.00 0.00 C ATOM 200 CD2 TRP A 14 -3.060 -0.753 -12.194 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.224 -0.100 -14.004 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.054 -1.159 -13.115 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.668 -1.604 -11.197 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.619 -2.409 -12.988 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.222 -2.870 -11.091 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.196 -3.270 -11.990 1.00 0.00 C ATOM 0 H TRP A 14 -0.208 1.734 -13.861 1.00 0.00 H new ATOM 0 HA TRP A 14 0.066 1.927 -10.931 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.114 1.534 -10.720 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.987 2.562 -12.134 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.337 1.869 -14.199 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.871 -0.099 -14.793 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.920 -1.286 -10.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.396 -2.719 -13.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.895 -3.541 -10.311 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.627 -4.257 -11.912 1.00 0.00 H new ATOM 217 N PHE A 15 0.107 -0.937 -12.656 1.00 0.00 N ATOM 218 CA PHE A 15 0.591 -2.319 -12.587 1.00 0.00 C ATOM 219 C PHE A 15 2.100 -2.320 -12.934 1.00 0.00 C ATOM 220 O PHE A 15 2.443 -1.989 -14.061 1.00 0.00 O ATOM 221 CB PHE A 15 -0.219 -3.227 -13.527 1.00 0.00 C ATOM 222 CG PHE A 15 0.136 -4.681 -13.365 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.012 -5.311 -12.134 1.00 0.00 C ATOM 224 CD2 PHE A 15 0.608 -5.420 -14.445 1.00 0.00 C ATOM 225 CE1 PHE A 15 0.310 -6.654 -11.988 1.00 0.00 C ATOM 226 CE2 PHE A 15 0.932 -6.761 -14.302 1.00 0.00 C ATOM 227 CZ PHE A 15 0.782 -7.381 -13.072 1.00 0.00 C ATOM 0 H PHE A 15 -0.268 -0.659 -13.563 1.00 0.00 H new ATOM 0 HA PHE A 15 0.457 -2.719 -11.582 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.283 -3.091 -13.332 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.044 -2.926 -14.560 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.380 -4.752 -11.286 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.724 -4.943 -15.407 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.193 -7.134 -11.028 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.301 -7.321 -15.148 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.031 -8.426 -12.957 1.00 0.00 H new ATOM 237 N PHE A 16 2.988 -2.640 -11.953 1.00 0.00 N ATOM 238 CA PHE A 16 4.430 -2.670 -12.300 1.00 0.00 C ATOM 239 C PHE A 16 5.071 -3.972 -11.793 1.00 0.00 C ATOM 240 O PHE A 16 6.228 -3.974 -11.390 1.00 0.00 O ATOM 241 CB PHE A 16 5.230 -1.454 -11.716 1.00 0.00 C ATOM 242 CG PHE A 16 6.170 -0.720 -12.647 1.00 0.00 C ATOM 243 CD1 PHE A 16 6.605 -1.240 -13.863 1.00 0.00 C ATOM 244 CD2 PHE A 16 6.603 0.550 -12.280 1.00 0.00 C ATOM 245 CE1 PHE A 16 7.392 -0.488 -14.718 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.379 1.308 -13.139 1.00 0.00 C ATOM 247 CZ PHE A 16 7.772 0.794 -14.359 1.00 0.00 C ATOM 0 H PHE A 16 2.754 -2.865 -10.986 1.00 0.00 H new ATOM 0 HA PHE A 16 4.482 -2.610 -13.387 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.510 -0.733 -11.329 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.811 -1.812 -10.866 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.324 -2.245 -14.143 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.331 0.949 -11.314 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.709 -0.901 -15.664 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.679 2.306 -12.854 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.373 1.389 -15.030 1.00 0.00 H new ATOM 257 N ARG A 17 4.292 -5.076 -11.851 1.00 0.00 N ATOM 258 CA ARG A 17 4.813 -6.368 -11.407 1.00 0.00 C ATOM 259 C ARG A 17 5.197 -6.372 -9.911 1.00 0.00 C ATOM 260 O ARG A 17 4.336 -6.531 -9.064 1.00 0.00 O ATOM 261 CB ARG A 17 5.946 -6.886 -12.335 1.00 0.00 C ATOM 262 CG ARG A 17 5.420 -7.614 -13.573 1.00 0.00 C ATOM 263 CD ARG A 17 6.556 -8.207 -14.423 1.00 0.00 C ATOM 264 NE ARG A 17 6.394 -9.653 -14.556 1.00 0.00 N ATOM 265 CZ ARG A 17 7.272 -10.409 -15.246 1.00 0.00 C ATOM 266 NH1 ARG A 17 8.324 -9.858 -15.839 1.00 0.00 N ATOM 267 NH2 ARG A 17 7.089 -11.719 -15.332 1.00 0.00 N ATOM 0 H ARG A 17 3.331 -5.091 -12.191 1.00 0.00 H new ATOM 0 HA ARG A 17 3.998 -7.086 -11.496 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.563 -6.044 -12.650 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.590 -7.560 -11.771 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.745 -8.412 -13.264 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.838 -6.921 -14.180 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.560 -7.743 -15.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.518 -7.984 -13.962 1.00 0.00 H new ATOM 0 HE ARG A 17 5.593 -10.104 -14.114 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.476 -8.851 -15.776 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.981 -10.441 -16.358 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.286 -12.153 -14.877 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.751 -12.293 -15.853 1.00 0.00 H new ATOM 281 N THR A 18 6.526 -6.234 -9.690 1.00 0.00 N ATOM 282 CA THR A 18 7.226 -6.301 -8.411 1.00 0.00 C ATOM 283 C THR A 18 8.537 -5.465 -8.466 1.00 0.00 C ATOM 284 O THR A 18 9.613 -6.049 -8.432 1.00 0.00 O ATOM 285 CB THR A 18 7.567 -7.747 -7.894 1.00 0.00 C ATOM 286 OG1 THR A 18 8.682 -7.919 -6.949 1.00 0.00 O ATOM 287 CG2 THR A 18 7.655 -8.772 -9.038 1.00 0.00 C ATOM 0 H THR A 18 7.170 -6.062 -10.462 1.00 0.00 H new ATOM 0 HA THR A 18 6.514 -5.889 -7.696 1.00 0.00 H new ATOM 0 HB THR A 18 6.697 -7.945 -7.268 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.469 -7.438 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.893 -9.754 -8.629 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.699 -8.818 -9.560 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.436 -8.471 -9.737 1.00 0.00 H new ATOM 295 N ILE A 19 8.476 -4.129 -8.635 1.00 0.00 N ATOM 296 CA ILE A 19 9.764 -3.401 -8.616 1.00 0.00 C ATOM 297 C ILE A 19 10.265 -3.386 -7.159 1.00 0.00 C ATOM 298 O ILE A 19 9.503 -3.705 -6.250 1.00 0.00 O ATOM 299 CB ILE A 19 9.560 -1.952 -9.054 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.812 -1.240 -9.565 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.808 -1.188 -7.998 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.461 0.201 -9.984 1.00 0.00 C ATOM 0 H ILE A 19 7.633 -3.571 -8.774 1.00 0.00 H new ATOM 0 HA ILE A 19 10.471 -3.887 -9.289 1.00 0.00 H new ATOM 0 HB ILE A 19 8.940 -1.986 -9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.576 -1.226 -8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.230 -1.783 -10.413 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.670 -0.157 -8.324 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.835 -1.651 -7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.374 -1.201 -7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.358 0.703 -10.347 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.712 0.178 -10.776 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.064 0.743 -9.126 1.00 0.00 H new ATOM 314 N SER A 20 11.568 -3.035 -6.976 1.00 0.00 N ATOM 315 CA SER A 20 12.031 -2.965 -5.591 1.00 0.00 C ATOM 316 C SER A 20 11.286 -1.838 -4.873 1.00 0.00 C ATOM 317 O SER A 20 10.764 -0.905 -5.463 1.00 0.00 O ATOM 318 CB SER A 20 13.574 -2.755 -5.435 1.00 0.00 C ATOM 319 OG SER A 20 14.244 -2.869 -4.104 1.00 0.00 O ATOM 0 H SER A 20 12.249 -2.817 -7.703 1.00 0.00 H new ATOM 0 HA SER A 20 11.816 -3.936 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.060 -3.471 -6.098 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.800 -1.760 -5.820 1.00 0.00 H new ATOM 0 HG SER A 20 15.018 -3.465 -4.178 1.00 0.00 H new ATOM 325 N ARG A 21 11.345 -1.948 -3.549 1.00 0.00 N ATOM 326 CA ARG A 21 10.651 -0.981 -2.722 1.00 0.00 C ATOM 327 C ARG A 21 11.148 0.447 -2.957 1.00 0.00 C ATOM 328 O ARG A 21 10.387 1.349 -3.281 1.00 0.00 O ATOM 329 CB ARG A 21 10.798 -1.381 -1.255 1.00 0.00 C ATOM 330 CG ARG A 21 9.992 -0.447 -0.346 1.00 0.00 C ATOM 331 CD ARG A 21 9.654 -1.100 0.996 1.00 0.00 C ATOM 332 NE ARG A 21 9.489 -0.080 2.021 1.00 0.00 N ATOM 333 CZ ARG A 21 10.545 0.542 2.581 1.00 0.00 C ATOM 334 NH1 ARG A 21 11.786 0.213 2.240 1.00 0.00 N ATOM 335 NH2 ARG A 21 10.341 1.498 3.476 1.00 0.00 N ATOM 0 H ARG A 21 11.851 -2.675 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 21 9.597 -0.986 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.459 -2.408 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.850 -1.352 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.560 0.467 -0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.070 -0.158 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.739 -1.686 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.447 -1.790 1.283 1.00 0.00 H new ATOM 0 HE ARG A 21 8.548 0.171 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.948 -0.518 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.577 0.691 2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.390 1.758 3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.135 1.973 3.904 1.00 0.00 H new ATOM 349 N LYS A 22 12.478 0.584 -2.769 1.00 0.00 N ATOM 350 CA LYS A 22 13.087 1.907 -2.935 1.00 0.00 C ATOM 351 C LYS A 22 12.942 2.489 -4.338 1.00 0.00 C ATOM 352 O LYS A 22 13.047 3.692 -4.533 1.00 0.00 O ATOM 353 CB LYS A 22 14.566 1.970 -2.522 1.00 0.00 C ATOM 354 CG LYS A 22 15.575 1.293 -3.454 1.00 0.00 C ATOM 355 CD LYS A 22 15.356 -0.204 -3.510 1.00 0.00 C ATOM 356 CE LYS A 22 16.598 -1.031 -3.885 1.00 0.00 C ATOM 357 NZ LYS A 22 17.086 -1.806 -2.747 1.00 0.00 N ATOM 0 H LYS A 22 13.118 -0.168 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 22 12.508 2.522 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.846 3.019 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.662 1.520 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.486 1.713 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.588 1.502 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.995 -0.540 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.567 -0.414 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.354 -1.704 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.386 -0.367 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.924 -2.352 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.341 -1.161 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.341 -2.457 -2.425 1.00 0.00 H new ATOM 371 N ASP A 23 12.669 1.575 -5.292 1.00 0.00 N ATOM 372 CA ASP A 23 12.568 2.007 -6.673 1.00 0.00 C ATOM 373 C ASP A 23 11.252 2.699 -6.946 1.00 0.00 C ATOM 374 O ASP A 23 11.195 3.870 -7.261 1.00 0.00 O ATOM 375 CB ASP A 23 12.760 0.806 -7.633 1.00 0.00 C ATOM 376 CG ASP A 23 14.232 0.348 -7.744 1.00 0.00 C ATOM 377 OD1 ASP A 23 15.118 1.001 -7.191 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.479 -0.669 -8.389 1.00 0.00 O ATOM 0 H ASP A 23 12.522 0.579 -5.129 1.00 0.00 H new ATOM 0 HA ASP A 23 13.364 2.730 -6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.151 -0.029 -7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.395 1.078 -8.623 1.00 0.00 H new ATOM 383 N ALA A 24 10.195 1.926 -6.771 1.00 0.00 N ATOM 384 CA ALA A 24 8.834 2.407 -6.984 1.00 0.00 C ATOM 385 C ALA A 24 8.557 3.731 -6.260 1.00 0.00 C ATOM 386 O ALA A 24 7.827 4.589 -6.741 1.00 0.00 O ATOM 387 CB ALA A 24 7.934 1.339 -6.414 1.00 0.00 C ATOM 0 H ALA A 24 10.251 0.950 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 24 8.668 2.593 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.893 1.635 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.109 0.398 -6.936 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.149 1.210 -5.353 1.00 0.00 H new ATOM 393 N GLU A 25 9.170 3.826 -5.061 1.00 0.00 N ATOM 394 CA GLU A 25 8.995 5.038 -4.292 1.00 0.00 C ATOM 395 C GLU A 25 9.630 6.233 -5.027 1.00 0.00 C ATOM 396 O GLU A 25 9.089 7.323 -5.023 1.00 0.00 O ATOM 397 CB GLU A 25 9.577 4.863 -2.883 1.00 0.00 C ATOM 398 CG GLU A 25 8.772 3.882 -2.007 1.00 0.00 C ATOM 399 CD GLU A 25 9.159 4.010 -0.518 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.347 3.967 -0.199 1.00 0.00 O ATOM 401 OE2 GLU A 25 8.263 4.153 0.313 1.00 0.00 O ATOM 0 H GLU A 25 9.758 3.109 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 25 7.930 5.244 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.604 4.508 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.613 5.834 -2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.706 4.076 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.949 2.861 -2.344 1.00 0.00 H new ATOM 408 N ARG A 26 10.775 5.960 -5.689 1.00 0.00 N ATOM 409 CA ARG A 26 11.519 6.982 -6.427 1.00 0.00 C ATOM 410 C ARG A 26 10.667 7.527 -7.583 1.00 0.00 C ATOM 411 O ARG A 26 10.785 8.672 -8.005 1.00 0.00 O ATOM 412 CB ARG A 26 12.833 6.371 -6.995 1.00 0.00 C ATOM 413 CG ARG A 26 12.801 5.735 -8.413 1.00 0.00 C ATOM 414 CD ARG A 26 13.699 4.496 -8.558 1.00 0.00 C ATOM 415 NE ARG A 26 14.640 4.655 -9.655 1.00 0.00 N ATOM 416 CZ ARG A 26 15.727 5.449 -9.564 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.965 6.186 -8.483 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.577 5.490 -10.577 1.00 0.00 N ATOM 0 H ARG A 26 11.199 5.033 -5.722 1.00 0.00 H new ATOM 0 HA ARG A 26 11.762 7.798 -5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.589 7.156 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.173 5.607 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.775 5.458 -8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.109 6.483 -9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.244 4.328 -7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.082 3.614 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 26 14.472 4.148 -10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.318 6.160 -7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.795 6.777 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.405 4.927 -11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.404 6.085 -10.525 1.00 0.00 H new ATOM 432 N GLN A 27 9.779 6.612 -8.045 1.00 0.00 N ATOM 433 CA GLN A 27 8.906 6.901 -9.177 1.00 0.00 C ATOM 434 C GLN A 27 7.772 7.839 -8.794 1.00 0.00 C ATOM 435 O GLN A 27 7.578 8.882 -9.407 1.00 0.00 O ATOM 436 CB GLN A 27 8.285 5.642 -9.811 1.00 0.00 C ATOM 437 CG GLN A 27 9.359 4.702 -10.343 1.00 0.00 C ATOM 438 CD GLN A 27 10.020 5.247 -11.619 1.00 0.00 C ATOM 439 OE1 GLN A 27 9.371 5.698 -12.552 1.00 0.00 O ATOM 440 NE2 GLN A 27 11.356 5.170 -11.598 1.00 0.00 N ATOM 0 H GLN A 27 9.660 5.681 -7.646 1.00 0.00 H new ATOM 0 HA GLN A 27 9.560 7.375 -9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.678 5.121 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.618 5.932 -10.623 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.120 4.550 -9.577 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.917 3.728 -10.551 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.832 4.781 -10.784 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.898 5.500 -12.396 1.00 0.00 H new ATOM 449 N LEU A 28 6.990 7.378 -7.795 1.00 0.00 N ATOM 450 CA LEU A 28 5.878 8.207 -7.353 1.00 0.00 C ATOM 451 C LEU A 28 6.372 9.563 -6.812 1.00 0.00 C ATOM 452 O LEU A 28 5.785 10.594 -7.100 1.00 0.00 O ATOM 453 CB LEU A 28 4.984 7.427 -6.394 1.00 0.00 C ATOM 454 CG LEU A 28 4.525 6.137 -7.052 1.00 0.00 C ATOM 455 CD1 LEU A 28 3.876 5.316 -5.973 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.516 6.358 -8.170 1.00 0.00 C ATOM 0 H LEU A 28 7.105 6.488 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 28 5.249 8.461 -8.206 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.527 7.204 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.121 8.031 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 28 5.388 5.649 -7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.526 4.373 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.600 5.115 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.030 5.864 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.230 5.397 -8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.632 6.855 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.962 6.981 -8.945 1.00 0.00 H new ATOM 468 N LEU A 29 7.489 9.498 -6.033 1.00 0.00 N ATOM 469 CA LEU A 29 8.083 10.697 -5.446 1.00 0.00 C ATOM 470 C LEU A 29 8.767 11.596 -6.498 1.00 0.00 C ATOM 471 O LEU A 29 9.239 12.677 -6.163 1.00 0.00 O ATOM 472 CB LEU A 29 9.157 10.247 -4.444 1.00 0.00 C ATOM 473 CG LEU A 29 8.580 9.522 -3.219 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.674 8.702 -2.529 1.00 0.00 C ATOM 475 CD2 LEU A 29 7.991 10.539 -2.232 1.00 0.00 C ATOM 0 H LEU A 29 7.978 8.632 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 29 7.285 11.273 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.862 9.587 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.720 11.118 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 29 7.788 8.850 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.254 8.192 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.071 7.965 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.477 9.365 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.585 10.014 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.773 11.224 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.196 11.102 -2.721 1.00 0.00 H new ATOM 487 N ALA A 30 8.804 11.119 -7.761 1.00 0.00 N ATOM 488 CA ALA A 30 9.381 11.902 -8.847 1.00 0.00 C ATOM 489 C ALA A 30 8.512 13.149 -9.091 1.00 0.00 C ATOM 490 O ALA A 30 7.314 13.138 -8.839 1.00 0.00 O ATOM 491 CB ALA A 30 9.525 11.071 -10.130 1.00 0.00 C ATOM 0 H ALA A 30 8.443 10.207 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 30 10.385 12.213 -8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.958 11.689 -10.917 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.175 10.217 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.544 10.717 -10.446 1.00 0.00 H new ATOM 497 N PRO A 31 9.156 14.236 -9.590 1.00 0.00 N ATOM 498 CA PRO A 31 8.442 15.471 -9.886 1.00 0.00 C ATOM 499 C PRO A 31 7.451 15.381 -11.064 1.00 0.00 C ATOM 500 O PRO A 31 6.749 16.337 -11.369 1.00 0.00 O ATOM 501 CB PRO A 31 9.544 16.475 -10.251 1.00 0.00 C ATOM 502 CG PRO A 31 10.843 15.687 -10.384 1.00 0.00 C ATOM 503 CD PRO A 31 10.591 14.319 -9.797 1.00 0.00 C ATOM 0 HA PRO A 31 7.832 15.743 -9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.306 16.986 -11.184 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.636 17.242 -9.482 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.142 15.609 -11.429 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.654 16.189 -9.857 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.935 13.535 -10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.130 14.191 -8.858 1.00 0.00 H new ATOM 511 N MET A 32 7.432 14.191 -11.700 1.00 0.00 N ATOM 512 CA MET A 32 6.533 13.942 -12.807 1.00 0.00 C ATOM 513 C MET A 32 5.077 13.746 -12.350 1.00 0.00 C ATOM 514 O MET A 32 4.143 14.066 -13.077 1.00 0.00 O ATOM 515 CB MET A 32 7.064 12.693 -13.510 1.00 0.00 C ATOM 516 CG MET A 32 8.069 13.045 -14.606 1.00 0.00 C ATOM 517 SD MET A 32 8.566 11.604 -15.563 1.00 0.00 S ATOM 518 CE MET A 32 10.003 11.101 -14.609 1.00 0.00 C ATOM 0 H MET A 32 8.031 13.403 -11.456 1.00 0.00 H new ATOM 0 HA MET A 32 6.508 14.802 -13.477 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.538 12.038 -12.779 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.232 12.138 -13.944 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.631 13.788 -15.273 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.950 13.501 -14.155 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.446 10.213 -15.059 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.736 11.908 -14.602 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.700 10.877 -13.586 1.00 0.00 H new ATOM 528 N ASN A 33 4.949 13.222 -11.108 1.00 0.00 N ATOM 529 CA ASN A 33 3.613 12.993 -10.565 1.00 0.00 C ATOM 530 C ASN A 33 3.578 13.217 -9.025 1.00 0.00 C ATOM 531 O ASN A 33 4.572 13.520 -8.379 1.00 0.00 O ATOM 532 CB ASN A 33 3.132 11.584 -10.986 1.00 0.00 C ATOM 533 CG ASN A 33 2.852 11.440 -12.488 1.00 0.00 C ATOM 534 OD1 ASN A 33 3.691 11.064 -13.297 1.00 0.00 O ATOM 535 ND2 ASN A 33 1.573 11.742 -12.752 1.00 0.00 N ATOM 0 H ASN A 33 5.723 12.964 -10.496 1.00 0.00 H new ATOM 0 HA ASN A 33 2.917 13.723 -10.978 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.887 10.853 -10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.224 11.342 -10.433 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.217 11.667 -13.705 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.955 12.047 -12.000 1.00 0.00 H new ATOM 542 N LYS A 34 2.351 13.044 -8.495 1.00 0.00 N ATOM 543 CA LYS A 34 2.095 13.260 -7.075 1.00 0.00 C ATOM 544 C LYS A 34 0.961 12.347 -6.589 1.00 0.00 C ATOM 545 O LYS A 34 0.517 11.470 -7.319 1.00 0.00 O ATOM 546 CB LYS A 34 1.834 14.752 -6.848 1.00 0.00 C ATOM 547 CG LYS A 34 0.876 15.388 -7.864 1.00 0.00 C ATOM 548 CD LYS A 34 -0.504 14.717 -7.862 1.00 0.00 C ATOM 549 CE LYS A 34 -1.592 15.579 -8.493 1.00 0.00 C ATOM 550 NZ LYS A 34 -1.793 16.819 -7.743 1.00 0.00 N ATOM 0 H LYS A 34 1.533 12.757 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 34 2.962 12.987 -6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.426 14.889 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.785 15.284 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.762 16.448 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.310 15.319 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.442 13.771 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.785 14.482 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.321 15.814 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.526 15.019 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.747 17.187 -7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.689 16.630 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.086 17.522 -8.039 1.00 0.00 H new ATOM 564 N ALA A 35 0.439 12.697 -5.380 1.00 0.00 N ATOM 565 CA ALA A 35 -0.632 11.966 -4.709 1.00 0.00 C ATOM 566 C ALA A 35 -1.732 11.543 -5.705 1.00 0.00 C ATOM 567 O ALA A 35 -2.428 12.384 -6.262 1.00 0.00 O ATOM 568 CB ALA A 35 -1.227 12.813 -3.560 1.00 0.00 C ATOM 0 H ALA A 35 0.766 13.506 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.205 11.058 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.024 12.253 -3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.446 13.042 -2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.631 13.741 -3.964 1.00 0.00 H new ATOM 574 N GLY A 36 -1.831 10.204 -5.893 1.00 0.00 N ATOM 575 CA GLY A 36 -2.796 9.636 -6.823 1.00 0.00 C ATOM 576 C GLY A 36 -2.116 8.681 -7.818 1.00 0.00 C ATOM 577 O GLY A 36 -2.701 7.689 -8.224 1.00 0.00 O ATOM 0 H GLY A 36 -1.253 9.516 -5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.566 9.100 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.295 10.438 -7.368 1.00 0.00 H new ATOM 581 N SER A 37 -0.857 9.005 -8.180 1.00 0.00 N ATOM 582 CA SER A 37 -0.068 8.057 -8.951 1.00 0.00 C ATOM 583 C SER A 37 0.171 6.875 -7.997 1.00 0.00 C ATOM 584 O SER A 37 0.550 7.054 -6.839 1.00 0.00 O ATOM 585 CB SER A 37 1.286 8.655 -9.372 1.00 0.00 C ATOM 586 OG SER A 37 1.826 9.153 -8.063 1.00 0.00 O ATOM 0 H SER A 37 -0.390 9.884 -7.956 1.00 0.00 H new ATOM 0 HA SER A 37 -0.584 7.773 -9.868 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.939 7.909 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.169 9.460 -10.098 1.00 0.00 H new ATOM 0 HG SER A 37 1.464 10.045 -7.878 1.00 0.00 H new ATOM 592 N PHE A 38 -0.041 5.664 -8.571 1.00 0.00 N ATOM 593 CA PHE A 38 0.125 4.447 -7.772 1.00 0.00 C ATOM 594 C PHE A 38 0.954 3.426 -8.591 1.00 0.00 C ATOM 595 O PHE A 38 1.299 3.666 -9.741 1.00 0.00 O ATOM 596 CB PHE A 38 -1.245 3.736 -7.530 1.00 0.00 C ATOM 597 CG PHE A 38 -2.171 4.145 -6.411 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.361 5.449 -6.013 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.941 3.177 -5.778 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.323 5.793 -5.070 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.871 3.500 -4.796 1.00 0.00 C ATOM 602 CZ PHE A 38 -4.074 4.819 -4.444 1.00 0.00 C ATOM 0 H PHE A 38 -0.315 5.516 -9.542 1.00 0.00 H new ATOM 0 HA PHE A 38 0.591 4.737 -6.831 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.813 3.824 -8.456 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.029 2.677 -7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.747 6.225 -6.445 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.813 2.142 -6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.484 6.832 -4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.435 2.718 -4.309 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.805 5.083 -3.694 1.00 0.00 H new ATOM 612 N LEU A 39 1.251 2.287 -7.902 1.00 0.00 N ATOM 613 CA LEU A 39 1.997 1.154 -8.466 1.00 0.00 C ATOM 614 C LEU A 39 1.590 -0.116 -7.682 1.00 0.00 C ATOM 615 O LEU A 39 1.181 0.044 -6.544 1.00 0.00 O ATOM 616 CB LEU A 39 3.512 1.238 -8.315 1.00 0.00 C ATOM 617 CG LEU A 39 4.184 2.595 -8.306 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.401 2.567 -7.402 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.610 3.084 -9.680 1.00 0.00 C ATOM 0 H LEU A 39 0.971 2.141 -6.932 1.00 0.00 H new ATOM 0 HA LEU A 39 1.758 1.148 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.776 0.736 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.954 0.659 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 39 3.432 3.292 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.877 3.547 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.095 2.313 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.107 1.821 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.083 4.062 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.318 2.378 -10.114 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.735 3.163 -10.325 1.00 0.00 H new ATOM 631 N ILE A 40 1.721 -1.355 -8.257 1.00 0.00 N ATOM 632 CA ILE A 40 1.319 -2.494 -7.418 1.00 0.00 C ATOM 633 C ILE A 40 2.480 -3.522 -7.677 1.00 0.00 C ATOM 634 O ILE A 40 2.662 -4.014 -8.784 1.00 0.00 O ATOM 635 CB ILE A 40 -0.150 -2.856 -7.788 1.00 0.00 C ATOM 636 CG1 ILE A 40 -0.957 -3.467 -6.633 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.201 -3.951 -8.847 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.389 -2.847 -6.573 1.00 0.00 C ATOM 0 H ILE A 40 2.064 -1.564 -9.195 1.00 0.00 H new ATOM 0 HA ILE A 40 1.243 -2.370 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.566 -1.900 -8.107 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.028 -4.547 -6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.440 -3.293 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.240 -4.181 -9.083 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.309 -3.610 -9.748 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.291 -4.847 -8.468 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.944 -3.293 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.313 -1.771 -6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.910 -3.044 -7.510 1.00 0.00 H new ATOM 650 N ARG A 41 3.269 -3.790 -6.610 1.00 0.00 N ATOM 651 CA ARG A 41 4.460 -4.610 -6.670 1.00 0.00 C ATOM 652 C ARG A 41 4.216 -5.749 -5.721 1.00 0.00 C ATOM 653 O ARG A 41 3.716 -5.583 -4.620 1.00 0.00 O ATOM 654 CB ARG A 41 5.765 -3.893 -6.282 1.00 0.00 C ATOM 655 CG ARG A 41 5.600 -2.782 -5.262 1.00 0.00 C ATOM 656 CD ARG A 41 4.967 -1.572 -5.950 1.00 0.00 C ATOM 657 NE ARG A 41 5.829 -0.919 -6.903 1.00 0.00 N ATOM 658 CZ ARG A 41 5.612 -1.013 -8.239 1.00 0.00 C ATOM 659 NH1 ARG A 41 4.729 -1.872 -8.722 1.00 0.00 N ATOM 660 NH2 ARG A 41 6.288 -0.263 -9.089 1.00 0.00 N ATOM 0 H ARG A 41 3.076 -3.427 -5.676 1.00 0.00 H new ATOM 0 HA ARG A 41 4.613 -4.917 -7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.464 -4.630 -5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.216 -3.477 -7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.973 -3.118 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.567 -2.512 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.057 -1.891 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.670 -0.849 -5.190 1.00 0.00 H new ATOM 0 HE ARG A 41 6.621 -0.373 -6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.202 -2.473 -8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.575 -1.933 -9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.984 0.398 -8.744 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.114 -0.344 -10.091 1.00 0.00 H new ATOM 674 N GLU A 42 4.532 -6.917 -6.286 1.00 0.00 N ATOM 675 CA GLU A 42 4.333 -8.126 -5.529 1.00 0.00 C ATOM 676 C GLU A 42 5.566 -8.501 -4.767 1.00 0.00 C ATOM 677 O GLU A 42 6.676 -8.166 -5.147 1.00 0.00 O ATOM 678 CB GLU A 42 3.908 -9.280 -6.456 1.00 0.00 C ATOM 679 CG GLU A 42 4.963 -9.938 -7.355 1.00 0.00 C ATOM 680 CD GLU A 42 4.486 -11.331 -7.817 1.00 0.00 C ATOM 681 OE1 GLU A 42 3.283 -11.526 -8.013 1.00 0.00 O ATOM 682 OE2 GLU A 42 5.328 -12.214 -7.961 1.00 0.00 O ATOM 0 H GLU A 42 4.910 -7.038 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 42 3.536 -7.940 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.474 -10.061 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.112 -8.908 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.155 -9.307 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.904 -10.031 -6.813 1.00 0.00 H new ATOM 689 N SER A 43 5.316 -9.265 -3.685 1.00 0.00 N ATOM 690 CA SER A 43 6.489 -9.794 -2.998 1.00 0.00 C ATOM 691 C SER A 43 6.907 -10.912 -3.979 1.00 0.00 C ATOM 692 O SER A 43 6.106 -11.767 -4.318 1.00 0.00 O ATOM 693 CB SER A 43 6.141 -10.300 -1.567 1.00 0.00 C ATOM 694 OG SER A 43 7.158 -10.300 -0.473 1.00 0.00 O ATOM 0 H SER A 43 4.402 -9.508 -3.303 1.00 0.00 H new ATOM 0 HA SER A 43 7.284 -9.074 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.298 -9.705 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.786 -11.325 -1.671 1.00 0.00 H new ATOM 0 HG SER A 43 6.755 -10.650 0.349 1.00 0.00 H new ATOM 700 N GLU A 44 8.142 -10.843 -4.482 1.00 0.00 N ATOM 701 CA GLU A 44 8.549 -11.819 -5.489 1.00 0.00 C ATOM 702 C GLU A 44 8.733 -13.270 -4.956 1.00 0.00 C ATOM 703 O GLU A 44 9.337 -14.099 -5.625 1.00 0.00 O ATOM 704 CB GLU A 44 9.807 -11.335 -6.217 1.00 0.00 C ATOM 705 CG GLU A 44 10.883 -10.806 -5.250 1.00 0.00 C ATOM 706 CD GLU A 44 12.311 -11.224 -5.647 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.735 -12.310 -5.249 1.00 0.00 O ATOM 708 OE2 GLU A 44 12.985 -10.457 -6.334 1.00 0.00 O ATOM 0 H GLU A 44 8.848 -10.154 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 44 7.717 -11.885 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.222 -12.155 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.536 -10.547 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.826 -9.718 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.670 -11.170 -4.245 1.00 0.00 H new ATOM 715 N SER A 45 8.236 -13.533 -3.727 1.00 0.00 N ATOM 716 CA SER A 45 8.349 -14.857 -3.131 1.00 0.00 C ATOM 717 C SER A 45 7.088 -15.243 -2.336 1.00 0.00 C ATOM 718 O SER A 45 7.112 -16.164 -1.528 1.00 0.00 O ATOM 719 CB SER A 45 9.540 -14.801 -2.149 1.00 0.00 C ATOM 720 OG SER A 45 9.413 -14.017 -0.892 1.00 0.00 O ATOM 0 H SER A 45 7.760 -12.845 -3.144 1.00 0.00 H new ATOM 0 HA SER A 45 8.482 -15.596 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.784 -15.827 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.396 -14.406 -2.696 1.00 0.00 H new ATOM 0 HG SER A 45 10.246 -14.082 -0.380 1.00 0.00 H new ATOM 726 N ASN A 46 5.993 -14.499 -2.588 1.00 0.00 N ATOM 727 CA ASN A 46 4.740 -14.744 -1.876 1.00 0.00 C ATOM 728 C ASN A 46 3.724 -15.581 -2.660 1.00 0.00 C ATOM 729 O ASN A 46 3.881 -15.886 -3.836 1.00 0.00 O ATOM 730 CB ASN A 46 4.057 -13.391 -1.635 1.00 0.00 C ATOM 731 CG ASN A 46 3.846 -12.512 -2.899 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.716 -11.315 -2.775 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.781 -13.083 -4.108 1.00 0.00 N ATOM 0 H ASN A 46 5.957 -13.739 -3.267 1.00 0.00 H new ATOM 0 HA ASN A 46 5.010 -15.286 -0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.086 -13.571 -1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.652 -12.827 -0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.621 -12.508 -4.935 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.892 -14.093 -4.202 1.00 0.00 H new ATOM 740 N LYS A 47 2.667 -15.927 -1.895 1.00 0.00 N ATOM 741 CA LYS A 47 1.474 -16.596 -2.406 1.00 0.00 C ATOM 742 C LYS A 47 0.571 -15.706 -3.256 1.00 0.00 C ATOM 743 O LYS A 47 -0.643 -15.798 -3.139 1.00 0.00 O ATOM 744 CB LYS A 47 0.715 -17.462 -1.402 1.00 0.00 C ATOM 745 CG LYS A 47 0.455 -16.698 -0.126 1.00 0.00 C ATOM 746 CD LYS A 47 1.673 -16.754 0.805 1.00 0.00 C ATOM 747 CE LYS A 47 1.409 -17.524 2.094 1.00 0.00 C ATOM 748 NZ LYS A 47 0.317 -16.927 2.854 1.00 0.00 N ATOM 0 H LYS A 47 2.628 -15.743 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 47 1.892 -17.326 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.231 -17.787 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.290 -18.361 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.219 -15.660 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.415 -17.115 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.505 -17.218 0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.980 -15.738 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.167 -18.560 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.313 -17.539 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.441 -17.139 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.319 -15.897 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.589 -17.320 2.527 1.00 0.00 H new ATOM 762 N GLY A 48 1.176 -14.860 -4.106 1.00 0.00 N ATOM 763 CA GLY A 48 0.367 -13.961 -4.910 1.00 0.00 C ATOM 764 C GLY A 48 -0.010 -12.691 -4.138 1.00 0.00 C ATOM 765 O GLY A 48 -1.078 -12.125 -4.334 1.00 0.00 O ATOM 0 H GLY A 48 2.184 -14.787 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.914 -13.689 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.540 -14.475 -5.229 1.00 0.00 H new ATOM 769 N ALA A 49 0.957 -12.234 -3.305 1.00 0.00 N ATOM 770 CA ALA A 49 0.681 -11.013 -2.527 1.00 0.00 C ATOM 771 C ALA A 49 1.224 -9.763 -3.273 1.00 0.00 C ATOM 772 O ALA A 49 2.254 -9.770 -3.925 1.00 0.00 O ATOM 773 CB ALA A 49 1.323 -11.126 -1.108 1.00 0.00 C ATOM 0 H ALA A 49 1.872 -12.661 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.398 -10.903 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.114 -10.219 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.903 -11.986 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.401 -11.252 -1.205 1.00 0.00 H new ATOM 779 N PHE A 50 0.429 -8.680 -3.151 1.00 0.00 N ATOM 780 CA PHE A 50 0.773 -7.413 -3.794 1.00 0.00 C ATOM 781 C PHE A 50 0.904 -6.327 -2.698 1.00 0.00 C ATOM 782 O PHE A 50 0.495 -6.502 -1.558 1.00 0.00 O ATOM 783 CB PHE A 50 -0.163 -7.036 -4.987 1.00 0.00 C ATOM 784 CG PHE A 50 0.195 -7.693 -6.303 1.00 0.00 C ATOM 785 CD1 PHE A 50 1.063 -7.065 -7.187 1.00 0.00 C ATOM 786 CD2 PHE A 50 -0.376 -8.898 -6.696 1.00 0.00 C ATOM 787 CE1 PHE A 50 1.320 -7.593 -8.443 1.00 0.00 C ATOM 788 CE2 PHE A 50 -0.115 -9.441 -7.948 1.00 0.00 C ATOM 789 CZ PHE A 50 0.728 -8.784 -8.826 1.00 0.00 C ATOM 0 H PHE A 50 -0.441 -8.665 -2.619 1.00 0.00 H new ATOM 0 HA PHE A 50 1.739 -7.511 -4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.187 -7.307 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.143 -5.954 -5.119 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.548 -6.147 -6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.033 -9.421 -6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.982 -7.075 -9.122 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.571 -10.377 -8.236 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.923 -9.198 -9.804 1.00 0.00 H new ATOM 799 N SER A 51 1.479 -5.194 -3.143 1.00 0.00 N ATOM 800 CA SER A 51 1.748 -4.019 -2.324 1.00 0.00 C ATOM 801 C SER A 51 1.500 -2.788 -3.193 1.00 0.00 C ATOM 802 O SER A 51 2.020 -2.705 -4.294 1.00 0.00 O ATOM 803 CB SER A 51 3.181 -3.988 -1.742 1.00 0.00 C ATOM 804 OG SER A 51 3.562 -5.421 -1.499 1.00 0.00 O ATOM 0 H SER A 51 1.774 -5.077 -4.112 1.00 0.00 H new ATOM 0 HA SER A 51 1.085 -4.042 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.874 -3.513 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.214 -3.414 -0.816 1.00 0.00 H new ATOM 0 HG SER A 51 3.775 -5.852 -2.353 1.00 0.00 H new ATOM 810 N LEU A 52 0.715 -1.843 -2.651 1.00 0.00 N ATOM 811 CA LEU A 52 0.368 -0.651 -3.416 1.00 0.00 C ATOM 812 C LEU A 52 1.044 0.608 -2.829 1.00 0.00 C ATOM 813 O LEU A 52 0.922 0.921 -1.652 1.00 0.00 O ATOM 814 CB LEU A 52 -1.172 -0.626 -3.351 1.00 0.00 C ATOM 815 CG LEU A 52 -1.903 0.335 -4.295 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.601 0.042 -5.768 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.423 0.299 -4.018 1.00 0.00 C ATOM 0 H LEU A 52 0.321 -1.884 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 52 0.720 -0.666 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.534 -1.635 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.462 -0.380 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.533 1.341 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.141 0.749 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.530 0.142 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.916 -0.973 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.932 0.985 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.798 -0.712 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.612 0.598 -2.987 1.00 0.00 H new ATOM 829 N SER A 53 1.786 1.279 -3.747 1.00 0.00 N ATOM 830 CA SER A 53 2.520 2.500 -3.446 1.00 0.00 C ATOM 831 C SER A 53 1.708 3.685 -3.967 1.00 0.00 C ATOM 832 O SER A 53 1.240 3.661 -5.092 1.00 0.00 O ATOM 833 CB SER A 53 3.876 2.576 -4.198 1.00 0.00 C ATOM 834 OG SER A 53 4.864 1.475 -4.037 1.00 0.00 O ATOM 0 H SER A 53 1.882 0.974 -4.716 1.00 0.00 H new ATOM 0 HA SER A 53 2.689 2.515 -2.369 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.655 2.664 -5.262 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.366 3.502 -3.896 1.00 0.00 H new ATOM 0 HG SER A 53 5.754 1.795 -4.293 1.00 0.00 H new ATOM 840 N VAL A 54 1.604 4.724 -3.126 1.00 0.00 N ATOM 841 CA VAL A 54 0.886 5.929 -3.545 1.00 0.00 C ATOM 842 C VAL A 54 1.664 7.094 -2.991 1.00 0.00 C ATOM 843 O VAL A 54 2.260 6.952 -1.938 1.00 0.00 O ATOM 844 CB VAL A 54 -0.533 6.014 -2.961 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.327 7.231 -3.504 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.216 4.662 -3.121 1.00 0.00 C ATOM 0 H VAL A 54 1.994 4.754 -2.184 1.00 0.00 H new ATOM 0 HA VAL A 54 0.798 5.923 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.486 6.217 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.322 7.244 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.803 8.151 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.415 7.154 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.224 4.713 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.269 4.404 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.645 3.901 -2.590 1.00 0.00 H new ATOM 856 N LYS A 55 1.633 8.245 -3.666 1.00 0.00 N ATOM 857 CA LYS A 55 2.388 9.310 -3.024 1.00 0.00 C ATOM 858 C LYS A 55 1.575 9.945 -1.868 1.00 0.00 C ATOM 859 O LYS A 55 0.492 10.498 -2.099 1.00 0.00 O ATOM 860 CB LYS A 55 2.709 10.260 -4.157 1.00 0.00 C ATOM 861 CG LYS A 55 3.324 11.611 -3.759 1.00 0.00 C ATOM 862 CD LYS A 55 4.638 11.864 -4.486 1.00 0.00 C ATOM 863 CE LYS A 55 5.221 13.254 -4.242 1.00 0.00 C ATOM 864 NZ LYS A 55 4.868 14.229 -5.267 1.00 0.00 N ATOM 0 H LYS A 55 1.158 8.449 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 55 3.303 8.974 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.396 9.759 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.791 10.452 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.621 12.413 -3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.493 11.632 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.366 11.115 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.482 11.729 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.876 13.618 -3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.307 13.177 -4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.312 15.143 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.205 13.897 -6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.835 14.344 -5.296 1.00 0.00 H new ATOM 878 N ASP A 56 2.150 9.913 -0.644 1.00 0.00 N ATOM 879 CA ASP A 56 1.435 10.558 0.455 1.00 0.00 C ATOM 880 C ASP A 56 2.219 11.819 0.783 1.00 0.00 C ATOM 881 O ASP A 56 3.346 11.828 1.241 1.00 0.00 O ATOM 882 CB ASP A 56 1.256 9.620 1.657 1.00 0.00 C ATOM 883 CG ASP A 56 0.902 10.343 2.982 1.00 0.00 C ATOM 884 OD1 ASP A 56 1.816 10.738 3.701 1.00 0.00 O ATOM 885 OD2 ASP A 56 -0.278 10.496 3.290 1.00 0.00 O ATOM 0 H ASP A 56 3.043 9.478 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 56 0.414 10.814 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.470 8.901 1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.176 9.053 1.801 1.00 0.00 H new ATOM 890 N ILE A 57 1.506 12.903 0.430 1.00 0.00 N ATOM 891 CA ILE A 57 2.048 14.235 0.630 1.00 0.00 C ATOM 892 C ILE A 57 1.318 14.887 1.791 1.00 0.00 C ATOM 893 O ILE A 57 0.122 15.149 1.743 1.00 0.00 O ATOM 894 CB ILE A 57 1.888 15.042 -0.648 1.00 0.00 C ATOM 895 CG1 ILE A 57 2.406 14.250 -1.854 1.00 0.00 C ATOM 896 CG2 ILE A 57 2.616 16.387 -0.519 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.458 15.100 -3.109 1.00 0.00 C ATOM 0 H ILE A 57 0.575 12.874 0.015 1.00 0.00 H new ATOM 0 HA ILE A 57 3.111 14.187 0.867 1.00 0.00 H new ATOM 0 HB ILE A 57 0.828 15.240 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.402 13.865 -1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.762 13.388 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.494 16.956 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.195 16.950 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.676 16.211 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.831 14.500 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.458 15.463 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.123 15.948 -2.947 1.00 0.00 H new ATOM 909 N THR A 58 2.131 15.030 2.849 1.00 0.00 N ATOM 910 CA THR A 58 1.663 15.636 4.089 1.00 0.00 C ATOM 911 C THR A 58 2.657 16.698 4.578 1.00 0.00 C ATOM 912 O THR A 58 3.721 16.890 4.000 1.00 0.00 O ATOM 913 CB THR A 58 1.454 14.491 5.104 1.00 0.00 C ATOM 914 OG1 THR A 58 0.731 14.805 6.331 1.00 0.00 O ATOM 915 CG2 THR A 58 2.724 13.592 5.228 1.00 0.00 C ATOM 0 H THR A 58 3.107 14.734 2.864 1.00 0.00 H new ATOM 0 HA THR A 58 0.719 16.163 3.947 1.00 0.00 H new ATOM 0 HB THR A 58 0.692 13.850 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.664 14.000 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.538 12.798 5.951 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.955 13.153 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.567 14.197 5.562 1.00 0.00 H new ATOM 923 N THR A 59 2.243 17.376 5.682 1.00 0.00 N ATOM 924 CA THR A 59 3.082 18.421 6.296 1.00 0.00 C ATOM 925 C THR A 59 4.379 17.827 6.890 1.00 0.00 C ATOM 926 O THR A 59 5.283 18.562 7.268 1.00 0.00 O ATOM 927 CB THR A 59 2.295 19.366 7.267 1.00 0.00 C ATOM 928 OG1 THR A 59 3.087 20.550 7.715 1.00 0.00 O ATOM 929 CG2 THR A 59 2.052 18.706 8.647 1.00 0.00 C ATOM 0 H THR A 59 1.351 17.217 6.151 1.00 0.00 H new ATOM 0 HA THR A 59 3.398 19.089 5.495 1.00 0.00 H new ATOM 0 HB THR A 59 1.405 19.606 6.686 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.040 20.321 7.726 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.504 19.396 9.289 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.472 17.793 8.516 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.010 18.465 9.109 1.00 0.00 H new ATOM 937 N GLN A 60 4.421 16.468 6.950 1.00 0.00 N ATOM 938 CA GLN A 60 5.586 15.781 7.505 1.00 0.00 C ATOM 939 C GLN A 60 6.497 15.176 6.419 1.00 0.00 C ATOM 940 O GLN A 60 6.937 14.037 6.525 1.00 0.00 O ATOM 941 CB GLN A 60 5.126 14.734 8.517 1.00 0.00 C ATOM 942 CG GLN A 60 4.310 15.349 9.667 1.00 0.00 C ATOM 943 CD GLN A 60 4.252 14.403 10.868 1.00 0.00 C ATOM 944 OE1 GLN A 60 3.222 13.834 11.200 1.00 0.00 O ATOM 945 NE2 GLN A 60 5.435 14.281 11.490 1.00 0.00 N ATOM 0 H GLN A 60 3.675 15.853 6.626 1.00 0.00 H new ATOM 0 HA GLN A 60 6.202 16.520 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.523 13.982 8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.996 14.221 8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.757 16.297 9.968 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.299 15.568 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.247 14.793 11.146 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.522 13.676 12.307 1.00 0.00 H new ATOM 954 N GLY A 61 6.762 15.998 5.384 1.00 0.00 N ATOM 955 CA GLY A 61 7.620 15.543 4.292 1.00 0.00 C ATOM 956 C GLY A 61 6.830 14.731 3.256 1.00 0.00 C ATOM 957 O GLY A 61 5.709 14.298 3.499 1.00 0.00 O ATOM 0 H GLY A 61 6.404 16.948 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.080 16.404 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.429 14.933 4.694 1.00 0.00 H new ATOM 961 N GLU A 62 7.480 14.602 2.079 1.00 0.00 N ATOM 962 CA GLU A 62 6.967 13.872 0.946 1.00 0.00 C ATOM 963 C GLU A 62 7.350 12.399 1.094 1.00 0.00 C ATOM 964 O GLU A 62 8.517 12.051 1.240 1.00 0.00 O ATOM 965 CB GLU A 62 7.586 14.481 -0.317 1.00 0.00 C ATOM 966 CG GLU A 62 6.632 14.335 -1.489 1.00 0.00 C ATOM 967 CD GLU A 62 7.006 15.247 -2.671 1.00 0.00 C ATOM 968 OE1 GLU A 62 8.108 15.111 -3.198 1.00 0.00 O ATOM 969 OE2 GLU A 62 6.175 16.067 -3.066 1.00 0.00 O ATOM 0 H GLU A 62 8.395 15.019 1.907 1.00 0.00 H new ATOM 0 HA GLU A 62 5.881 13.936 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.810 15.535 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.531 13.986 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.627 13.297 -1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.619 14.569 -1.160 1.00 0.00 H new ATOM 976 N VAL A 63 6.289 11.572 1.070 1.00 0.00 N ATOM 977 CA VAL A 63 6.461 10.144 1.229 1.00 0.00 C ATOM 978 C VAL A 63 5.556 9.427 0.215 1.00 0.00 C ATOM 979 O VAL A 63 4.811 10.048 -0.530 1.00 0.00 O ATOM 980 CB VAL A 63 6.124 9.833 2.703 1.00 0.00 C ATOM 981 CG1 VAL A 63 4.697 10.266 3.086 1.00 0.00 C ATOM 982 CG2 VAL A 63 6.417 8.380 3.095 1.00 0.00 C ATOM 0 H VAL A 63 5.324 11.876 0.943 1.00 0.00 H new ATOM 0 HA VAL A 63 7.474 9.795 1.027 1.00 0.00 H new ATOM 0 HB VAL A 63 6.805 10.445 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.512 10.024 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.591 11.341 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.977 9.740 2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.159 8.227 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.825 7.709 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.476 8.170 2.948 1.00 0.00 H new ATOM 992 N VAL A 64 5.662 8.085 0.256 1.00 0.00 N ATOM 993 CA VAL A 64 4.840 7.182 -0.542 1.00 0.00 C ATOM 994 C VAL A 64 3.888 6.575 0.486 1.00 0.00 C ATOM 995 O VAL A 64 3.714 7.129 1.561 1.00 0.00 O ATOM 996 CB VAL A 64 5.730 6.182 -1.326 1.00 0.00 C ATOM 997 CG1 VAL A 64 5.043 5.168 -2.256 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.595 6.960 -2.275 1.00 0.00 C ATOM 0 H VAL A 64 6.332 7.601 0.854 1.00 0.00 H new ATOM 0 HA VAL A 64 4.267 7.654 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 64 6.218 5.629 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.797 4.541 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.365 4.543 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.479 5.701 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.229 6.273 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.965 7.519 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.220 7.653 -1.712 1.00 0.00 H new ATOM 1008 N LYS A 65 3.242 5.481 0.085 1.00 0.00 N ATOM 1009 CA LYS A 65 2.340 4.708 0.930 1.00 0.00 C ATOM 1010 C LYS A 65 2.564 3.241 0.662 1.00 0.00 C ATOM 1011 O LYS A 65 3.081 2.888 -0.375 1.00 0.00 O ATOM 1012 CB LYS A 65 0.889 5.051 0.630 1.00 0.00 C ATOM 1013 CG LYS A 65 0.600 6.466 1.091 1.00 0.00 C ATOM 1014 CD LYS A 65 0.567 6.563 2.636 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.778 7.090 3.121 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.262 6.527 4.377 1.00 0.00 N ATOM 0 H LYS A 65 3.335 5.101 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 65 2.544 4.945 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.695 4.958 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.226 4.349 1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.361 7.140 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.356 6.794 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.755 5.581 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.365 7.221 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.705 8.172 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.522 6.900 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.071 5.902 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.501 5.981 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.559 7.296 5.011 1.00 0.00 H new ATOM 1030 N HIS A 66 2.105 2.405 1.603 1.00 0.00 N ATOM 1031 CA HIS A 66 2.226 0.971 1.426 1.00 0.00 C ATOM 1032 C HIS A 66 0.958 0.278 1.986 1.00 0.00 C ATOM 1033 O HIS A 66 0.839 0.084 3.191 1.00 0.00 O ATOM 1034 CB HIS A 66 3.434 0.463 2.239 1.00 0.00 C ATOM 1035 CG HIS A 66 4.764 0.805 1.610 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.974 1.022 0.296 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.985 0.963 2.281 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.292 1.306 0.186 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.915 1.272 1.365 1.00 0.00 N ATOM 0 H HIS A 66 1.658 2.698 2.472 1.00 0.00 H new ATOM 0 HA HIS A 66 2.350 0.748 0.366 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.394 0.889 3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.360 -0.619 2.350 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.285 0.981 -0.455 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.147 0.855 3.343 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.783 1.534 -0.748 1.00 0.00 H new ATOM 1047 N TYR A 67 0.075 -0.156 1.061 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.171 -0.850 1.437 1.00 0.00 C ATOM 1049 C TYR A 67 -0.996 -2.326 0.997 1.00 0.00 C ATOM 1050 O TYR A 67 -0.798 -2.629 -0.174 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.389 -0.245 0.704 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.700 1.155 1.145 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.443 1.381 2.295 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.215 2.242 0.435 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.656 2.669 2.768 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.419 3.539 0.892 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.138 3.768 2.070 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.310 5.060 2.555 1.00 0.00 O ATOM 0 H TYR A 67 0.202 -0.038 0.056 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.350 -0.755 2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.199 -0.249 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.261 -0.877 0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.862 0.542 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.672 2.079 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.222 2.824 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.020 4.374 0.335 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.788 5.028 3.410 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.010 -3.201 2.027 1.00 0.00 N ATOM 1069 CA LYS A 68 -0.826 -4.655 1.870 1.00 0.00 C ATOM 1070 C LYS A 68 -2.090 -5.397 1.337 1.00 0.00 C ATOM 1071 O LYS A 68 -3.080 -5.631 2.030 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.278 -5.316 3.158 1.00 0.00 C ATOM 1073 CG LYS A 68 -0.703 -4.662 4.464 1.00 0.00 C ATOM 1074 CD LYS A 68 -2.220 -4.578 4.607 1.00 0.00 C ATOM 1075 CE LYS A 68 -2.888 -5.932 4.879 1.00 0.00 C ATOM 1076 NZ LYS A 68 -4.346 -5.861 4.815 1.00 0.00 N ATOM 0 H LYS A 68 -1.150 -2.913 2.995 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.069 -4.764 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.596 -6.358 3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.811 -5.316 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.293 -5.228 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.280 -3.659 4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.462 -3.893 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.639 -4.152 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.531 -6.662 4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.588 -6.290 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.753 -6.737 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.679 -5.049 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.645 -5.746 3.825 1.00 0.00 H new ATOM 1090 N ILE A 69 -1.984 -5.740 0.051 1.00 0.00 N ATOM 1091 CA ILE A 69 -2.997 -6.509 -0.678 1.00 0.00 C ATOM 1092 C ILE A 69 -2.687 -8.026 -0.635 1.00 0.00 C ATOM 1093 O ILE A 69 -1.590 -8.485 -0.966 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.328 -6.048 -2.091 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.164 -5.411 -2.808 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.670 -5.320 -2.272 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.620 -4.755 -4.090 1.00 0.00 C ATOM 0 H ILE A 69 -1.179 -5.487 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.915 -6.302 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.511 -6.984 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.694 -4.670 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.409 -6.166 -3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.794 -5.041 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.485 -5.979 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.684 -4.423 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.765 -4.302 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.068 -5.504 -4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.357 -3.985 -3.862 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.724 -8.753 -0.204 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.672 -10.202 -0.126 1.00 0.00 C ATOM 1111 C ARG A 70 -4.333 -10.770 -1.369 1.00 0.00 C ATOM 1112 O ARG A 70 -4.983 -10.054 -2.111 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.355 -10.684 1.149 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.336 -10.721 2.289 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.732 -11.895 3.161 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.139 -11.778 4.491 1.00 0.00 N ATOM 1117 CZ ARG A 70 -3.345 -12.691 5.463 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -4.093 -13.764 5.242 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -2.797 -12.521 6.660 1.00 0.00 N ATOM 0 H ARG A 70 -4.612 -8.350 0.096 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.639 -10.548 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.180 -10.020 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.780 -11.676 0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.324 -10.844 1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.350 -9.790 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.818 -11.941 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.409 -12.825 2.694 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.545 -10.974 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.521 -13.908 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.240 -14.446 5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.220 -11.700 6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.953 -13.211 7.395 1.00 0.00 H new ATOM 1133 N SER A 71 -4.203 -12.106 -1.477 1.00 0.00 N ATOM 1134 CA SER A 71 -4.749 -12.835 -2.593 1.00 0.00 C ATOM 1135 C SER A 71 -5.443 -14.079 -2.052 1.00 0.00 C ATOM 1136 O SER A 71 -4.823 -15.009 -1.552 1.00 0.00 O ATOM 1137 CB SER A 71 -3.573 -13.301 -3.477 1.00 0.00 C ATOM 1138 OG SER A 71 -2.361 -13.821 -2.795 1.00 0.00 O ATOM 0 H SER A 71 -3.719 -12.687 -0.792 1.00 0.00 H new ATOM 0 HA SER A 71 -5.444 -12.214 -3.158 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.943 -14.080 -4.144 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.271 -12.462 -4.104 1.00 0.00 H new ATOM 0 HG SER A 71 -2.015 -14.595 -3.287 1.00 0.00 H new ATOM 1144 N LEU A 72 -6.775 -13.987 -2.149 1.00 0.00 N ATOM 1145 CA LEU A 72 -7.675 -15.015 -1.677 1.00 0.00 C ATOM 1146 C LEU A 72 -8.022 -15.976 -2.799 1.00 0.00 C ATOM 1147 O LEU A 72 -8.039 -15.628 -3.974 1.00 0.00 O ATOM 1148 CB LEU A 72 -8.934 -14.365 -1.087 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.656 -13.057 -0.365 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.435 -13.225 0.558 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.607 -11.864 -1.348 1.00 0.00 C ATOM 0 H LEU A 72 -7.250 -13.185 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.184 -15.592 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.650 -14.184 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.403 -15.062 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.485 -12.801 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.238 -12.286 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.637 -14.007 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.565 -13.502 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.406 -10.946 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.816 -12.028 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.564 -11.776 -1.862 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.357 -17.184 -2.317 1.00 0.00 N ATOM 1164 CA ASP A 73 -8.724 -18.273 -3.215 1.00 0.00 C ATOM 1165 C ASP A 73 -10.003 -17.984 -4.015 1.00 0.00 C ATOM 1166 O ASP A 73 -10.135 -18.377 -5.168 1.00 0.00 O ATOM 1167 CB ASP A 73 -8.975 -19.571 -2.435 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.035 -19.441 -1.320 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -9.749 -18.816 -0.299 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.134 -19.969 -1.490 1.00 0.00 O ATOM 0 H ASP A 73 -8.379 -17.422 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.881 -18.374 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.291 -20.346 -3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.036 -19.904 -1.992 1.00 0.00 H new ATOM 1175 N ASN A 74 -10.898 -17.237 -3.337 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.182 -16.901 -3.931 1.00 0.00 C ATOM 1177 C ASN A 74 -12.618 -15.490 -3.515 1.00 0.00 C ATOM 1178 O ASN A 74 -13.767 -15.216 -3.189 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.258 -17.924 -3.519 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.598 -17.914 -2.012 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.814 -17.509 -1.166 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -14.834 -18.355 -1.736 1.00 0.00 N ATOM 0 H ASN A 74 -10.749 -16.867 -2.398 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.068 -16.929 -5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.167 -17.726 -4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.920 -18.922 -3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.169 -18.365 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.440 -18.680 -2.490 1.00 0.00 H new ATOM 1189 N GLY A 75 -11.590 -14.629 -3.566 1.00 0.00 N ATOM 1190 CA GLY A 75 -11.785 -13.229 -3.207 1.00 0.00 C ATOM 1191 C GLY A 75 -11.110 -12.232 -4.127 1.00 0.00 C ATOM 1192 O GLY A 75 -11.628 -11.156 -4.376 1.00 0.00 O ATOM 0 H GLY A 75 -10.641 -14.875 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.855 -13.019 -3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.414 -13.074 -2.194 1.00 0.00 H new ATOM 1196 N GLY A 76 -9.972 -12.688 -4.647 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.119 -11.912 -5.525 1.00 0.00 C ATOM 1198 C GLY A 76 -8.054 -11.145 -4.756 1.00 0.00 C ATOM 1199 O GLY A 76 -6.977 -11.656 -4.498 1.00 0.00 O ATOM 0 H GLY A 76 -9.616 -13.626 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.639 -12.576 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.728 -11.212 -6.096 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.455 -9.912 -4.363 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.581 -9.007 -3.650 1.00 0.00 C ATOM 1205 C TYR A 77 -8.452 -8.265 -2.664 1.00 0.00 C ATOM 1206 O TYR A 77 -9.599 -7.947 -2.941 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.881 -8.044 -4.631 1.00 0.00 C ATOM 1208 CG TYR A 77 -5.942 -8.776 -5.534 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -4.694 -9.125 -5.069 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -6.305 -9.115 -6.828 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -3.826 -9.858 -5.859 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -5.440 -9.810 -7.657 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.197 -10.219 -7.159 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.335 -10.975 -7.939 1.00 0.00 O ATOM 0 H TYR A 77 -9.388 -9.539 -4.539 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.786 -9.542 -3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.629 -7.522 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.334 -7.286 -4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.389 -8.824 -4.078 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.280 -8.832 -7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.861 -10.152 -5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.721 -10.034 -8.676 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.444 -10.566 -7.933 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.819 -8.015 -1.505 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.559 -7.323 -0.427 1.00 0.00 C ATOM 1226 C TYR A 78 -7.603 -6.546 0.473 1.00 0.00 C ATOM 1227 O TYR A 78 -6.552 -7.046 0.853 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.474 -8.256 0.406 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.932 -8.797 1.711 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.968 -7.985 2.847 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.434 -10.099 1.832 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.500 -8.416 4.072 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.014 -10.562 3.081 1.00 0.00 C ATOM 1234 CZ TYR A 78 -8.021 -9.723 4.205 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.590 -10.177 5.446 1.00 0.00 O ATOM 0 H TYR A 78 -6.853 -8.263 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.229 -6.623 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.394 -7.714 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.746 -9.105 -0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.375 -6.988 2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.375 -10.741 0.966 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.504 -7.749 4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.678 -11.583 3.183 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.289 -11.106 5.368 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.975 -5.254 0.678 1.00 0.00 N ATOM 1246 CA ILE A 79 -7.078 -4.443 1.557 1.00 0.00 C ATOM 1247 C ILE A 79 -7.849 -4.107 2.838 1.00 0.00 C ATOM 1248 O ILE A 79 -7.333 -4.224 3.943 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.396 -3.198 0.925 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.263 -2.600 -0.135 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -4.970 -3.351 0.424 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.635 -1.416 -0.921 1.00 0.00 C ATOM 0 H ILE A 79 -8.797 -4.786 0.296 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.209 -5.068 1.765 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.288 -2.524 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.532 -3.383 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.188 -2.257 0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.626 -2.403 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.323 -3.642 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.936 -4.118 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.345 -1.056 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.392 -0.609 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.726 -1.752 -1.420 1.00 0.00 H new ATOM 1264 N SER A 80 -9.122 -3.753 2.605 1.00 0.00 N ATOM 1265 CA SER A 80 -10.019 -3.453 3.685 1.00 0.00 C ATOM 1266 C SER A 80 -11.096 -4.517 3.482 1.00 0.00 C ATOM 1267 O SER A 80 -11.631 -4.638 2.392 1.00 0.00 O ATOM 1268 CB SER A 80 -10.602 -2.006 3.556 1.00 0.00 C ATOM 1269 OG SER A 80 -9.736 -0.827 3.303 1.00 0.00 O ATOM 0 H SER A 80 -9.534 -3.673 1.675 1.00 0.00 H new ATOM 0 HA SER A 80 -9.557 -3.472 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.337 -2.034 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.147 -1.803 4.478 1.00 0.00 H new ATOM 0 HG SER A 80 -10.289 -0.019 3.254 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.420 -5.292 4.558 1.00 0.00 N ATOM 1276 CA PRO A 81 -12.387 -6.375 4.436 1.00 0.00 C ATOM 1277 C PRO A 81 -13.822 -5.944 4.143 1.00 0.00 C ATOM 1278 O PRO A 81 -14.692 -6.776 3.926 1.00 0.00 O ATOM 1279 CB PRO A 81 -12.375 -7.029 5.827 1.00 0.00 C ATOM 1280 CG PRO A 81 -11.342 -6.331 6.693 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.800 -5.199 5.865 1.00 0.00 C ATOM 0 HA PRO A 81 -12.104 -7.008 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.361 -6.957 6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.140 -8.090 5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.792 -5.960 7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.547 -7.018 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -11.025 -4.239 6.330 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.715 -5.267 5.782 1.00 0.00 H new ATOM 1289 N ARG A 82 -14.005 -4.612 4.060 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.339 -4.144 3.719 1.00 0.00 C ATOM 1291 C ARG A 82 -15.512 -4.105 2.184 1.00 0.00 C ATOM 1292 O ARG A 82 -16.632 -4.067 1.697 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.559 -2.722 4.252 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.371 -1.765 4.062 1.00 0.00 C ATOM 1295 CD ARG A 82 -13.662 -1.491 5.393 1.00 0.00 C ATOM 1296 NE ARG A 82 -12.983 -0.195 5.360 1.00 0.00 N ATOM 1297 CZ ARG A 82 -13.657 0.963 5.533 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -14.962 0.956 5.772 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -13.016 2.122 5.456 1.00 0.00 N ATOM 0 H ARG A 82 -13.296 -3.895 4.214 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.059 -4.829 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.432 -2.296 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.792 -2.781 5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.664 -2.195 3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.722 -0.826 3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.387 -1.507 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.939 -2.281 5.595 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.976 -0.165 5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.466 0.071 5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.462 1.836 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.014 2.139 5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.525 2.996 5.587 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.351 -4.228 1.483 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.240 -4.175 0.029 1.00 0.00 C ATOM 1315 C ILE A 83 -13.057 -5.050 -0.555 1.00 0.00 C ATOM 1316 O ILE A 83 -11.847 -4.916 -0.290 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.259 -2.741 -0.484 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.107 -1.932 0.010 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.529 -1.916 -0.221 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.090 -0.636 -0.848 1.00 0.00 C ATOM 0 H ILE A 83 -13.452 -4.370 1.943 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.136 -4.654 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.206 -2.917 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.221 -1.697 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.171 -2.481 -0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.407 -0.917 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.383 -2.403 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.699 -1.842 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.263 -0.000 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.964 -0.897 -1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.030 -0.101 -0.717 1.00 0.00 H new ATOM 1332 N THR A 84 -13.608 -6.011 -1.339 1.00 0.00 N ATOM 1333 CA THR A 84 -12.830 -7.009 -2.044 1.00 0.00 C ATOM 1334 C THR A 84 -13.142 -6.887 -3.560 1.00 0.00 C ATOM 1335 O THR A 84 -14.200 -6.418 -3.970 1.00 0.00 O ATOM 1336 CB THR A 84 -13.303 -8.366 -1.454 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.732 -8.449 -0.045 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.139 -9.372 -1.610 1.00 0.00 C ATOM 0 H THR A 84 -14.613 -6.098 -1.487 1.00 0.00 H new ATOM 0 HA THR A 84 -11.752 -6.899 -1.930 1.00 0.00 H new ATOM 0 HB THR A 84 -14.214 -8.564 -2.018 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.998 -9.369 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.437 -10.339 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.892 -9.482 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.266 -9.005 -1.069 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.139 -7.334 -4.346 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.223 -7.302 -5.819 1.00 0.00 C ATOM 1348 C PHE A 85 -11.581 -8.594 -6.347 1.00 0.00 C ATOM 1349 O PHE A 85 -10.769 -9.160 -5.642 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.506 -6.059 -6.336 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.164 -4.812 -5.811 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.257 -4.255 -6.466 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.700 -4.201 -4.652 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.877 -3.112 -5.972 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.322 -3.065 -4.161 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.417 -2.519 -4.807 1.00 0.00 C ATOM 0 H PHE A 85 -11.266 -7.719 -3.985 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.256 -7.250 -6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.460 -6.082 -6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.518 -6.052 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.629 -4.716 -7.369 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.849 -4.615 -4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.719 -2.686 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.947 -2.599 -3.262 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.907 -1.643 -4.409 1.00 0.00 H new ATOM 1366 N PRO A 86 -11.939 -9.061 -7.576 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.355 -10.296 -8.115 1.00 0.00 C ATOM 1368 C PRO A 86 -9.915 -10.115 -8.615 1.00 0.00 C ATOM 1369 O PRO A 86 -9.074 -10.983 -8.415 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.225 -10.611 -9.360 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.199 -9.434 -9.555 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.034 -8.507 -8.359 1.00 0.00 C ATOM 0 HA PRO A 86 -11.334 -11.064 -7.342 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.599 -10.740 -10.243 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.773 -11.543 -9.219 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.982 -8.906 -10.483 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.226 -9.793 -9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.809 -7.490 -8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.951 -8.460 -7.771 1.00 0.00 H new ATOM 1380 N THR A 87 -9.658 -8.934 -9.209 1.00 0.00 N ATOM 1381 CA THR A 87 -8.306 -8.646 -9.698 1.00 0.00 C ATOM 1382 C THR A 87 -8.026 -7.218 -9.297 1.00 0.00 C ATOM 1383 O THR A 87 -8.894 -6.470 -8.856 1.00 0.00 O ATOM 1384 CB THR A 87 -8.132 -8.718 -11.242 1.00 0.00 C ATOM 1385 OG1 THR A 87 -6.822 -8.468 -11.868 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.244 -7.920 -11.928 1.00 0.00 C ATOM 0 H THR A 87 -10.343 -8.192 -9.356 1.00 0.00 H new ATOM 0 HA THR A 87 -7.638 -9.398 -9.277 1.00 0.00 H new ATOM 0 HB THR A 87 -8.206 -9.791 -11.416 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.751 -8.987 -12.696 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.117 -7.974 -13.009 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.213 -8.338 -11.655 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.195 -6.879 -11.609 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.748 -6.871 -9.529 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.374 -5.537 -9.144 1.00 0.00 C ATOM 1396 C LEU A 88 -6.886 -4.504 -10.109 1.00 0.00 C ATOM 1397 O LEU A 88 -6.902 -3.333 -9.779 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.871 -5.338 -9.175 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.094 -6.277 -8.280 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.650 -5.852 -8.333 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.536 -6.073 -6.847 1.00 0.00 C ATOM 0 H LEU A 88 -6.023 -7.454 -9.947 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.794 -5.419 -8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.522 -5.462 -10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.647 -4.312 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.246 -7.309 -8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.054 -6.507 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.289 -5.916 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.560 -4.825 -7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.980 -6.747 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.345 -5.042 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.602 -6.283 -6.762 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.277 -4.922 -11.320 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.737 -3.823 -12.162 1.00 0.00 C ATOM 1415 C GLN A 89 -9.054 -3.212 -11.660 1.00 0.00 C ATOM 1416 O GLN A 89 -9.254 -2.014 -11.754 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.597 -4.138 -13.635 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.712 -4.988 -14.188 1.00 0.00 C ATOM 1419 CD GLN A 89 -8.222 -6.230 -14.926 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -8.568 -6.492 -16.070 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -7.397 -6.966 -14.170 1.00 0.00 N ATOM 0 H GLN A 89 -7.288 -5.870 -11.697 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.061 -2.975 -12.057 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.555 -3.203 -14.194 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.648 -4.650 -13.798 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.364 -5.295 -13.370 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.315 -4.385 -14.868 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.167 -6.664 -13.223 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.999 -7.829 -14.541 1.00 0.00 H new ATOM 1430 N ALA A 90 -9.906 -4.104 -11.096 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.198 -3.661 -10.562 1.00 0.00 C ATOM 1432 C ALA A 90 -11.050 -3.028 -9.159 1.00 0.00 C ATOM 1433 O ALA A 90 -11.875 -2.245 -8.708 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.152 -4.875 -10.451 1.00 0.00 C ATOM 0 H ALA A 90 -9.722 -5.103 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.598 -2.910 -11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.113 -4.548 -10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.298 -5.315 -11.438 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.718 -5.619 -9.783 1.00 0.00 H new ATOM 1440 N LEU A 91 -9.934 -3.394 -8.508 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.625 -2.862 -7.193 1.00 0.00 C ATOM 1442 C LEU A 91 -9.111 -1.434 -7.325 1.00 0.00 C ATOM 1443 O LEU A 91 -9.595 -0.519 -6.679 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.607 -3.806 -6.533 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.599 -3.192 -5.546 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.089 -4.202 -4.503 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.404 -2.566 -6.275 1.00 0.00 C ATOM 0 H LEU A 91 -9.244 -4.050 -8.875 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.511 -2.813 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.162 -4.583 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.043 -4.299 -7.325 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.148 -2.413 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.382 -3.710 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.930 -4.583 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.594 -5.030 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.714 -2.143 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.892 -3.332 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.756 -1.778 -6.941 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.200 -1.305 -8.297 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.508 -0.062 -8.548 1.00 0.00 C ATOM 1461 C VAL A 92 -8.465 0.972 -9.177 1.00 0.00 C ATOM 1462 O VAL A 92 -8.406 2.123 -8.779 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.268 -0.434 -9.404 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.437 0.733 -9.857 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.175 -1.230 -8.676 1.00 0.00 C ATOM 0 H VAL A 92 -7.931 -2.064 -8.923 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.161 0.434 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.778 -0.980 -10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.595 0.372 -10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.048 1.400 -10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.065 1.274 -8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.356 -1.437 -9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.802 -0.649 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.590 -2.170 -8.313 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.366 0.467 -10.075 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.409 1.183 -10.839 1.00 0.00 C ATOM 1477 C GLN A 93 -11.330 1.959 -9.854 1.00 0.00 C ATOM 1478 O GLN A 93 -11.581 3.153 -9.963 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.271 0.359 -11.793 1.00 0.00 C ATOM 1480 CG GLN A 93 -12.547 -0.237 -11.252 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.168 -1.070 -12.368 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -12.902 -0.909 -13.553 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.022 -1.961 -11.882 1.00 0.00 N ATOM 0 H GLN A 93 -9.373 -0.530 -10.292 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.844 1.842 -11.498 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.531 0.992 -12.641 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.658 -0.456 -12.179 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.342 -0.857 -10.379 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.232 0.548 -10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.179 -2.021 -10.876 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.522 -2.586 -12.514 1.00 0.00 H new ATOM 1492 N HIS A 94 -11.689 1.187 -8.775 1.00 0.00 N ATOM 1493 CA HIS A 94 -12.616 1.644 -7.722 1.00 0.00 C ATOM 1494 C HIS A 94 -11.940 2.729 -6.876 1.00 0.00 C ATOM 1495 O HIS A 94 -12.538 3.745 -6.529 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.033 0.468 -6.821 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.180 0.877 -5.917 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.039 1.542 -4.747 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.553 0.665 -6.137 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.285 1.727 -4.279 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.220 1.210 -5.096 1.00 0.00 N ATOM 0 H HIS A 94 -11.338 0.241 -8.627 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.508 2.053 -8.196 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.331 -0.382 -7.435 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.184 0.144 -6.219 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.994 0.159 -6.983 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.510 2.233 -3.352 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.230 1.226 -4.957 1.00 0.00 H new ATOM 1509 N TYR A 95 -10.629 2.490 -6.653 1.00 0.00 N ATOM 1510 CA TYR A 95 -9.859 3.490 -5.929 1.00 0.00 C ATOM 1511 C TYR A 95 -9.635 4.727 -6.832 1.00 0.00 C ATOM 1512 O TYR A 95 -9.227 5.769 -6.354 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.550 2.915 -5.365 1.00 0.00 C ATOM 1514 CG TYR A 95 -8.831 2.028 -4.195 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.462 2.505 -3.067 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.477 0.708 -4.238 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -9.823 1.675 -2.031 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -8.753 -0.152 -3.209 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.435 0.351 -2.078 1.00 0.00 C ATOM 1520 OH TYR A 95 -9.729 -0.353 -0.939 1.00 0.00 O ATOM 0 H TYR A 95 -10.117 1.659 -6.949 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.429 3.810 -5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.029 2.352 -6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.889 3.727 -5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -9.679 3.560 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.964 0.332 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.398 2.051 -1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.457 -1.189 -3.260 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.616 -1.312 -1.108 1.00 0.00 H new ATOM 1530 N SER A 96 -9.908 4.567 -8.159 1.00 0.00 N ATOM 1531 CA SER A 96 -9.799 5.737 -9.067 1.00 0.00 C ATOM 1532 C SER A 96 -11.025 6.640 -9.076 1.00 0.00 C ATOM 1533 O SER A 96 -11.076 7.632 -9.792 1.00 0.00 O ATOM 1534 CB SER A 96 -9.553 5.224 -10.506 1.00 0.00 C ATOM 1535 OG SER A 96 -8.731 4.016 -10.628 1.00 0.00 O ATOM 0 H SER A 96 -10.189 3.691 -8.600 1.00 0.00 H new ATOM 0 HA SER A 96 -8.972 6.342 -8.694 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.520 5.030 -10.971 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.078 6.021 -11.078 1.00 0.00 H new ATOM 0 HG SER A 96 -8.594 3.623 -9.741 1.00 0.00 H new ATOM 1541 N LYS A 97 -11.989 6.241 -8.242 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.218 7.019 -8.162 1.00 0.00 C ATOM 1543 C LYS A 97 -13.182 7.992 -6.983 1.00 0.00 C ATOM 1544 O LYS A 97 -13.321 9.190 -7.180 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.433 6.086 -8.047 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.910 5.549 -9.402 1.00 0.00 C ATOM 1547 CD LYS A 97 -13.932 4.552 -10.021 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.506 3.774 -11.209 1.00 0.00 C ATOM 1549 NZ LYS A 97 -14.333 4.491 -12.467 1.00 0.00 N ATOM 0 H LYS A 97 -11.945 5.420 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.306 7.604 -9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.179 5.247 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.251 6.623 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.880 5.069 -9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.054 6.384 -10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.040 5.088 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.616 3.844 -9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.017 2.802 -11.276 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.567 3.587 -11.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.735 3.930 -13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.821 5.408 -12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.320 4.647 -12.641 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.005 7.440 -5.764 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.050 8.385 -4.635 1.00 0.00 C ATOM 1565 C LYS A 98 -12.270 7.956 -3.405 1.00 0.00 C ATOM 1566 O LYS A 98 -12.410 8.538 -2.338 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.466 8.856 -4.354 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.375 7.625 -4.328 1.00 0.00 C ATOM 1569 CD LYS A 98 -15.371 6.809 -3.110 1.00 0.00 C ATOM 1570 CE LYS A 98 -15.544 7.589 -1.858 1.00 0.00 C ATOM 1571 NZ LYS A 98 -16.328 6.861 -0.870 1.00 0.00 N ATOM 0 H LYS A 98 -12.846 6.456 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.494 9.264 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.511 9.383 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.794 9.557 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.397 7.957 -4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.097 6.983 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.169 6.070 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.431 6.260 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.566 7.828 -1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.034 8.536 -2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.929 7.022 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.312 7.196 -0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.303 5.844 -1.088 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.433 6.939 -3.596 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.595 6.414 -2.526 1.00 0.00 C ATOM 1587 C GLY A 99 -11.345 5.419 -1.641 1.00 0.00 C ATOM 1588 O GLY A 99 -10.831 4.357 -1.322 1.00 0.00 O ATOM 0 H GLY A 99 -11.318 6.461 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.721 5.927 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.231 7.239 -1.914 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.575 5.821 -1.254 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.410 4.954 -0.427 1.00 0.00 C ATOM 1594 C ASP A 100 -12.748 4.476 0.900 1.00 0.00 C ATOM 1595 O ASP A 100 -13.152 3.503 1.521 1.00 0.00 O ATOM 1596 CB ASP A 100 -14.036 3.923 -1.325 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.309 3.286 -0.785 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.368 2.560 0.223 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.287 3.632 -1.408 1.00 0.00 O ATOM 0 H ASP A 100 -12.994 6.718 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.231 5.518 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.259 4.387 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.306 3.136 -1.514 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.663 5.183 1.262 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.965 4.783 2.474 1.00 0.00 C ATOM 1606 C GLY A 101 -9.492 5.129 2.432 1.00 0.00 C ATOM 1607 O GLY A 101 -8.883 5.361 3.468 1.00 0.00 O ATOM 0 H GLY A 101 -11.276 5.984 0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.426 5.271 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.079 3.709 2.618 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.952 5.198 1.186 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.530 5.487 1.114 1.00 0.00 C ATOM 1613 C LEU A 102 -7.248 7.008 1.060 1.00 0.00 C ATOM 1614 O LEU A 102 -6.098 7.424 0.987 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.958 4.873 -0.185 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.272 3.389 -0.424 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.628 2.971 -1.743 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.797 2.436 0.693 1.00 0.00 C ATOM 0 H LEU A 102 -9.442 5.068 0.301 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.068 5.068 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.338 5.445 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.875 4.998 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.358 3.302 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.839 1.919 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.035 3.575 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.550 3.121 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.064 1.411 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.715 2.513 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.276 2.710 1.633 1.00 0.00 H new ATOM 1630 N CYS A 103 -8.355 7.790 1.167 1.00 0.00 N ATOM 1631 CA CYS A 103 -8.398 9.253 1.145 1.00 0.00 C ATOM 1632 C CYS A 103 -7.698 9.901 -0.078 1.00 0.00 C ATOM 1633 O CYS A 103 -7.633 11.121 -0.177 1.00 0.00 O ATOM 1634 CB CYS A 103 -7.845 9.824 2.460 1.00 0.00 C ATOM 1635 SG CYS A 103 -6.037 9.915 2.527 1.00 0.00 S ATOM 0 H CYS A 103 -9.284 7.382 1.276 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.451 9.516 1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.254 10.823 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.198 9.208 3.287 1.00 0.00 H new ATOM 0 HG CYS A 103 -5.528 8.895 1.902 1.00 0.00 H new ATOM 1641 N GLN A 104 -7.209 9.052 -1.010 1.00 0.00 N ATOM 1642 CA GLN A 104 -6.493 9.566 -2.155 1.00 0.00 C ATOM 1643 C GLN A 104 -6.673 8.612 -3.310 1.00 0.00 C ATOM 1644 O GLN A 104 -5.951 7.644 -3.509 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.990 9.681 -1.827 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.571 11.003 -1.171 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.729 12.163 -2.162 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -4.693 11.990 -3.374 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -4.906 13.350 -1.572 1.00 0.00 N ATOM 0 H GLN A 104 -7.303 8.037 -0.978 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.881 10.551 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.714 8.860 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.421 9.553 -2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.180 11.187 -0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.535 10.939 -0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.925 13.416 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.022 14.189 -2.140 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.668 9.024 -4.092 1.00 0.00 N ATOM 1659 CA LYS A 105 -8.016 8.309 -5.287 1.00 0.00 C ATOM 1660 C LYS A 105 -6.884 8.485 -6.306 1.00 0.00 C ATOM 1661 O LYS A 105 -5.984 9.300 -6.140 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.330 8.848 -5.775 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.225 10.056 -6.701 1.00 0.00 C ATOM 1664 CD LYS A 105 -10.450 10.900 -6.459 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.349 11.633 -5.115 1.00 0.00 C ATOM 1666 NZ LYS A 105 -11.121 12.869 -5.097 1.00 0.00 N ATOM 0 H LYS A 105 -8.238 9.849 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.132 7.239 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.861 8.053 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.937 9.122 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.318 10.624 -6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.173 9.741 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.564 11.624 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.339 10.270 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.701 10.977 -4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.303 11.858 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.021 13.327 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.770 13.508 -5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.124 12.655 -5.271 1.00 0.00 H new ATOM 1680 N LEU A 106 -7.000 7.682 -7.353 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.017 7.705 -8.424 1.00 0.00 C ATOM 1682 C LEU A 106 -6.279 8.860 -9.381 1.00 0.00 C ATOM 1683 O LEU A 106 -7.401 9.072 -9.839 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.058 6.414 -9.250 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.008 5.171 -8.376 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -5.417 3.947 -9.103 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.153 5.362 -7.164 1.00 0.00 C ATOM 0 H LEU A 106 -7.758 7.012 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.044 7.815 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.968 6.398 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.218 6.402 -9.944 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.051 5.000 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.408 3.092 -8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.026 3.713 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.398 4.169 -9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.150 4.446 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.134 5.599 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.551 6.180 -6.563 1.00 0.00 H new ATOM 1699 N THR A 107 -5.163 9.547 -9.661 1.00 0.00 N ATOM 1700 CA THR A 107 -5.173 10.693 -10.553 1.00 0.00 C ATOM 1701 C THR A 107 -4.533 10.321 -11.886 1.00 0.00 C ATOM 1702 O THR A 107 -5.225 10.030 -12.855 1.00 0.00 O ATOM 1703 CB THR A 107 -4.458 11.916 -9.893 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.016 11.903 -9.568 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.195 12.212 -8.577 1.00 0.00 C ATOM 0 H THR A 107 -4.245 9.321 -9.277 1.00 0.00 H new ATOM 0 HA THR A 107 -6.206 10.986 -10.743 1.00 0.00 H new ATOM 0 HB THR A 107 -4.505 12.652 -10.696 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.764 12.760 -9.164 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.727 13.062 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.239 12.445 -8.789 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.143 11.339 -7.926 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.186 10.350 -11.873 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.404 10.048 -13.058 1.00 0.00 C ATOM 1715 C LEU A 108 -1.199 9.238 -12.605 1.00 0.00 C ATOM 1716 O LEU A 108 -0.373 9.792 -11.903 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.916 11.296 -13.785 1.00 0.00 C ATOM 1718 CG LEU A 108 -3.048 12.087 -14.463 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -3.106 13.545 -13.996 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.951 11.973 -15.992 1.00 0.00 C ATOM 0 H LEU A 108 -2.630 10.581 -11.050 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.036 9.504 -13.760 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.404 11.945 -13.075 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.183 11.006 -14.538 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.991 11.637 -14.154 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.922 14.058 -14.505 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.274 13.576 -12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.164 14.040 -14.231 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.761 12.540 -16.451 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.994 12.372 -16.327 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.030 10.926 -16.284 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.102 7.941 -12.995 1.00 0.00 N ATOM 1733 CA PRO A 109 0.025 7.083 -12.611 1.00 0.00 C ATOM 1734 C PRO A 109 1.367 7.731 -13.017 1.00 0.00 C ATOM 1735 O PRO A 109 1.407 8.735 -13.720 1.00 0.00 O ATOM 1736 CB PRO A 109 -0.215 5.730 -13.317 1.00 0.00 C ATOM 1737 CG PRO A 109 -1.609 5.838 -13.951 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.079 7.296 -13.835 1.00 0.00 C ATOM 0 HA PRO A 109 0.085 6.942 -11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 109 0.547 5.542 -14.074 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.170 4.904 -12.607 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.576 5.532 -14.997 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.309 5.172 -13.446 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.132 7.772 -14.814 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.075 7.355 -13.397 1.00 0.00 H new ATOM 1746 N CYS A 110 2.465 7.088 -12.572 1.00 0.00 N ATOM 1747 CA CYS A 110 3.780 7.644 -12.884 1.00 0.00 C ATOM 1748 C CYS A 110 4.068 7.526 -14.397 1.00 0.00 C ATOM 1749 O CYS A 110 3.223 7.076 -15.159 1.00 0.00 O ATOM 1750 CB CYS A 110 4.852 6.882 -12.097 1.00 0.00 C ATOM 1751 SG CYS A 110 6.387 7.829 -11.928 1.00 0.00 S ATOM 0 H CYS A 110 2.465 6.228 -12.024 1.00 0.00 H new ATOM 0 HA CYS A 110 3.795 8.698 -12.605 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.468 6.638 -11.107 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.064 5.937 -12.598 1.00 0.00 H new ATOM 0 HG CYS A 110 6.398 8.436 -10.779 1.00 0.00 H new ATOM 1757 N VAL A 111 5.303 7.892 -14.782 1.00 0.00 N ATOM 1758 CA VAL A 111 5.666 7.850 -16.190 1.00 0.00 C ATOM 1759 C VAL A 111 7.198 7.804 -16.257 1.00 0.00 C ATOM 1760 O VAL A 111 7.876 8.809 -16.424 1.00 0.00 O ATOM 1761 CB VAL A 111 5.120 9.105 -16.932 1.00 0.00 C ATOM 1762 CG1 VAL A 111 3.584 9.156 -17.005 1.00 0.00 C ATOM 1763 CG2 VAL A 111 5.655 10.435 -16.352 1.00 0.00 C ATOM 0 H VAL A 111 6.040 8.210 -14.152 1.00 0.00 H new ATOM 0 HA VAL A 111 5.233 6.976 -16.676 1.00 0.00 H new ATOM 0 HB VAL A 111 5.501 8.995 -17.947 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.275 10.057 -17.535 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.216 8.278 -17.536 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.172 9.169 -15.996 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.237 11.271 -16.913 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.364 10.519 -15.305 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.742 10.454 -16.429 1.00 0.00 H new ATOM 1773 N ASN A 112 7.699 6.555 -16.144 1.00 0.00 N ATOM 1774 CA ASN A 112 9.144 6.391 -16.206 1.00 0.00 C ATOM 1775 C ASN A 112 9.611 6.681 -17.644 1.00 0.00 C ATOM 1776 O ASN A 112 9.494 5.838 -18.524 1.00 0.00 O ATOM 1777 CB ASN A 112 9.497 4.941 -15.836 1.00 0.00 C ATOM 1778 CG ASN A 112 11.018 4.725 -15.836 1.00 0.00 C ATOM 1779 OD1 ASN A 112 11.614 4.312 -16.819 1.00 0.00 O ATOM 1780 ND2 ASN A 112 11.602 5.045 -14.677 1.00 0.00 N ATOM 0 H ASN A 112 7.154 5.702 -16.017 1.00 0.00 H new ATOM 0 HA ASN A 112 9.634 7.075 -15.513 1.00 0.00 H new ATOM 0 HB2 ASN A 112 9.093 4.705 -14.852 1.00 0.00 H new ATOM 0 HB3 ASN A 112 9.029 4.257 -16.545 1.00 0.00 H new ATOM 0 HD21 ASN A 112 12.612 4.950 -14.572 1.00 0.00 H new ATOM 0 HD22 ASN A 112 11.038 5.384 -13.898 1.00 0.00 H new ATOM 1787 N LEU A 113 10.144 7.917 -17.799 1.00 0.00 N ATOM 1788 CA LEU A 113 10.650 8.403 -19.075 1.00 0.00 C ATOM 1789 C LEU A 113 9.534 8.493 -20.131 1.00 0.00 C ATOM 1790 O LEU A 113 8.910 9.531 -20.302 1.00 0.00 O ATOM 1791 CB LEU A 113 11.879 7.591 -19.520 1.00 0.00 C ATOM 1792 CG LEU A 113 13.120 7.907 -18.668 1.00 0.00 C ATOM 1793 CD1 LEU A 113 13.257 6.963 -17.466 1.00 0.00 C ATOM 1794 CD2 LEU A 113 14.378 7.860 -19.538 1.00 0.00 C ATOM 0 H LEU A 113 10.228 8.591 -17.038 1.00 0.00 H new ATOM 0 HA LEU A 113 11.000 9.428 -18.949 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.654 6.527 -19.451 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.094 7.805 -20.567 1.00 0.00 H new ATOM 0 HG LEU A 113 12.996 8.913 -18.267 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.148 7.227 -16.896 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.378 7.056 -16.828 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.343 5.935 -17.819 1.00 0.00 H new ATOM 0 HD21 LEU A 113 15.252 8.085 -18.927 1.00 0.00 H new ATOM 0 HD22 LEU A 113 14.484 6.865 -19.971 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.295 8.596 -20.337 1.00 0.00 H new ATOM 1806 N ALA A 114 9.344 7.348 -20.823 1.00 0.00 N ATOM 1807 CA ALA A 114 8.331 7.224 -21.862 1.00 0.00 C ATOM 1808 C ALA A 114 8.712 8.071 -23.104 1.00 0.00 C ATOM 1809 O ALA A 114 9.890 8.083 -23.467 1.00 0.00 O ATOM 1810 CB ALA A 114 6.940 7.538 -21.274 1.00 0.00 C ATOM 1811 OXT ALA A 114 7.837 8.705 -23.693 1.00 0.00 O ATOM 0 H ALA A 114 9.889 6.499 -20.670 1.00 0.00 H new ATOM 0 HA ALA A 114 8.282 6.197 -22.223 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.185 7.444 -22.055 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.719 6.837 -20.469 1.00 0.00 H new ATOM 0 HB3 ALA A 114 6.932 8.555 -20.882 1.00 0.00 H new TER 1817 ALA A 114