USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 797 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 32 SER OG : rot 180:sc= -1.28 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= 0.113 (180deg=0.0792) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.595 (180deg=-1.36) USER MOD Single : A 17 TYR OH : rot 30:sc= -1.49 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 104:sc= -0.401! USER MOD Single : A 28 ASN :FLIP amide:sc= -1.03 F(o=-1.5!,f=-1) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= -0.0176 (180deg=-0.212) USER MOD Single : A 42 ASN : amide:sc= 0.168 X(o=0.17,f=0) USER MOD Single : A 43 SER OG : rot 108:sc= -2.19! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 24:sc= -3.83! USER MOD Single : A 61 HIS : no HE2:sc= -7.06! C(o=-7.1!,f=-9.1!) USER MOD Single : A 64 MET CE :methyl -153:sc= -5.99! (180deg=-7.97!) USER MOD Single : A 74 MET CE :methyl 159:sc= -4.47! (180deg=-5.39) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -27:sc= 0.0603 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -169:sc= 0 (180deg=-0.0727) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 107 SER OG : rot 5:sc= 0.849 USER MOD Single : B 108 THR OG1 : rot 117:sc= 0.221 USER MOD Single : B 109 ASN : amide:sc= -5.44! C(o=-5.4!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 2.060 5.744 -23.716 1.00 0.00 N ATOM 2 CA PRO A 6 0.943 6.321 -22.925 1.00 0.00 C ATOM 3 C PRO A 6 1.051 5.910 -21.452 1.00 0.00 C ATOM 4 O PRO A 6 1.982 5.243 -21.048 1.00 0.00 O ATOM 5 CB PRO A 6 -0.300 5.711 -23.569 1.00 0.00 C ATOM 6 CG PRO A 6 0.171 4.439 -24.199 1.00 0.00 C ATOM 7 CD PRO A 6 1.619 4.637 -24.571 1.00 0.00 C ATOM 0 HA PRO A 6 0.934 7.411 -22.932 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.075 5.520 -22.827 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.729 6.383 -24.312 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.062 3.603 -23.508 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.424 4.203 -25.081 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.204 3.735 -24.389 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.729 4.881 -25.628 1.00 0.00 H new ATOM 15 N TRP A 7 0.098 6.303 -20.652 1.00 0.00 N ATOM 16 CA TRP A 7 0.127 5.939 -19.207 1.00 0.00 C ATOM 17 C TRP A 7 0.011 4.421 -19.056 1.00 0.00 C ATOM 18 O TRP A 7 -0.892 3.805 -19.586 1.00 0.00 O ATOM 19 CB TRP A 7 -1.097 6.641 -18.614 1.00 0.00 C ATOM 20 CG TRP A 7 -1.181 6.369 -17.148 1.00 0.00 C ATOM 21 CD1 TRP A 7 -0.161 5.928 -16.380 1.00 0.00 C ATOM 22 CD2 TRP A 7 -2.328 6.516 -16.262 1.00 0.00 C ATOM 23 NE1 TRP A 7 -0.608 5.796 -15.076 1.00 0.00 N ATOM 24 CE2 TRP A 7 -1.937 6.145 -14.954 1.00 0.00 C ATOM 25 CE3 TRP A 7 -3.657 6.930 -16.465 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -2.833 6.186 -13.884 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -4.561 6.973 -15.391 1.00 0.00 C ATOM 28 CH2 TRP A 7 -4.149 6.601 -14.104 1.00 0.00 C ATOM 0 H TRP A 7 -0.704 6.864 -20.939 1.00 0.00 H new ATOM 0 HA TRP A 7 1.049 6.237 -18.709 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.031 7.715 -18.790 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.003 6.291 -19.110 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.839 5.714 -16.726 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.026 5.479 -14.301 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.984 7.217 -17.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -2.511 5.899 -12.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.579 7.294 -15.558 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.849 6.635 -13.282 1.00 0.00 H new ATOM 39 N ALA A 8 0.923 3.813 -18.343 1.00 0.00 N ATOM 40 CA ALA A 8 0.869 2.333 -18.164 1.00 0.00 C ATOM 41 C ALA A 8 -0.573 1.883 -17.934 1.00 0.00 C ATOM 42 O ALA A 8 -0.951 0.778 -18.269 1.00 0.00 O ATOM 43 CB ALA A 8 1.719 2.051 -16.928 1.00 0.00 C ATOM 0 H ALA A 8 1.702 4.278 -17.877 1.00 0.00 H new ATOM 0 HA ALA A 8 1.235 1.798 -19.040 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.729 0.979 -16.730 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.738 2.398 -17.100 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.298 2.575 -16.070 1.00 0.00 H new ATOM 49 N VAL A 9 -1.380 2.737 -17.374 1.00 0.00 N ATOM 50 CA VAL A 9 -2.799 2.364 -17.133 1.00 0.00 C ATOM 51 C VAL A 9 -3.679 2.956 -18.234 1.00 0.00 C ATOM 52 O VAL A 9 -3.630 4.138 -18.511 1.00 0.00 O ATOM 53 CB VAL A 9 -3.149 2.969 -15.774 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.667 2.940 -15.581 1.00 0.00 C ATOM 55 CG2 VAL A 9 -2.479 2.152 -14.664 1.00 0.00 C ATOM 0 H VAL A 9 -1.119 3.676 -17.073 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.955 1.285 -17.140 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.795 3.999 -15.732 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.919 3.371 -14.612 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.145 3.519 -16.371 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.019 1.909 -15.622 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.728 2.583 -13.694 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.834 1.122 -14.705 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.398 2.169 -14.802 1.00 0.00 H new ATOM 65 N LYS A 10 -4.477 2.146 -18.868 1.00 0.00 N ATOM 66 CA LYS A 10 -5.350 2.665 -19.956 1.00 0.00 C ATOM 67 C LYS A 10 -6.629 3.258 -19.364 1.00 0.00 C ATOM 68 O LYS A 10 -6.859 3.174 -18.176 1.00 0.00 O ATOM 69 CB LYS A 10 -5.669 1.440 -20.814 1.00 0.00 C ATOM 70 CG LYS A 10 -4.754 1.425 -22.041 1.00 0.00 C ATOM 71 CD LYS A 10 -5.601 1.500 -23.313 1.00 0.00 C ATOM 72 CE LYS A 10 -5.111 0.453 -24.315 1.00 0.00 C ATOM 73 NZ LYS A 10 -6.280 -0.442 -24.540 1.00 0.00 N ATOM 0 H LYS A 10 -4.563 1.147 -18.680 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.874 3.456 -20.535 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.530 0.529 -20.232 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.713 1.463 -21.126 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.063 2.267 -22.002 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.151 0.517 -22.046 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.650 1.327 -23.074 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.533 2.496 -23.750 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.786 0.919 -25.245 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.259 -0.102 -23.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.043 -1.146 -25.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.521 -0.928 -23.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.094 0.123 -24.857 1.00 0.00 H new ATOM 87 N PRO A 11 -7.429 3.830 -20.221 1.00 0.00 N ATOM 88 CA PRO A 11 -8.709 4.430 -19.775 1.00 0.00 C ATOM 89 C PRO A 11 -9.653 3.324 -19.310 1.00 0.00 C ATOM 90 O PRO A 11 -10.410 3.489 -18.376 1.00 0.00 O ATOM 91 CB PRO A 11 -9.235 5.128 -21.026 1.00 0.00 C ATOM 92 CG PRO A 11 -8.583 4.413 -22.164 1.00 0.00 C ATOM 93 CD PRO A 11 -7.231 3.969 -21.668 1.00 0.00 C ATOM 0 HA PRO A 11 -8.607 5.120 -18.937 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.321 5.063 -21.088 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.979 6.187 -21.025 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.181 3.558 -22.479 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.483 5.069 -23.029 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.925 3.027 -22.124 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.458 4.701 -21.899 1.00 0.00 H new ATOM 101 N GLU A 12 -9.596 2.188 -19.948 1.00 0.00 N ATOM 102 CA GLU A 12 -10.472 1.058 -19.537 1.00 0.00 C ATOM 103 C GLU A 12 -9.945 0.453 -18.234 1.00 0.00 C ATOM 104 O GLU A 12 -10.692 -0.082 -17.438 1.00 0.00 O ATOM 105 CB GLU A 12 -10.380 0.046 -20.679 1.00 0.00 C ATOM 106 CG GLU A 12 -8.966 -0.539 -20.735 1.00 0.00 C ATOM 107 CD GLU A 12 -8.692 -1.080 -22.140 1.00 0.00 C ATOM 108 OE1 GLU A 12 -9.304 -0.588 -23.074 1.00 0.00 O ATOM 109 OE2 GLU A 12 -7.872 -1.978 -22.258 1.00 0.00 O ATOM 0 H GLU A 12 -8.979 1.994 -20.737 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.502 1.367 -19.359 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.109 -0.751 -20.531 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.623 0.528 -21.626 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.234 0.227 -20.480 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.862 -1.337 -20.000 1.00 0.00 H new ATOM 116 N ASP A 13 -8.664 0.553 -18.005 1.00 0.00 N ATOM 117 CA ASP A 13 -8.087 0.004 -16.750 1.00 0.00 C ATOM 118 C ASP A 13 -8.289 1.021 -15.633 1.00 0.00 C ATOM 119 O ASP A 13 -8.601 0.677 -14.511 1.00 0.00 O ATOM 120 CB ASP A 13 -6.599 -0.197 -17.043 1.00 0.00 C ATOM 121 CG ASP A 13 -6.213 -1.648 -16.750 1.00 0.00 C ATOM 122 OD1 ASP A 13 -7.105 -2.476 -16.674 1.00 0.00 O ATOM 123 OD2 ASP A 13 -5.028 -1.907 -16.608 1.00 0.00 O ATOM 0 H ASP A 13 -7.993 0.992 -18.635 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.553 -0.930 -16.437 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.387 0.044 -18.085 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.002 0.480 -16.431 1.00 0.00 H new ATOM 128 N LYS A 14 -8.137 2.277 -15.943 1.00 0.00 N ATOM 129 CA LYS A 14 -8.348 3.319 -14.907 1.00 0.00 C ATOM 130 C LYS A 14 -9.838 3.394 -14.583 1.00 0.00 C ATOM 131 O LYS A 14 -10.242 3.896 -13.552 1.00 0.00 O ATOM 132 CB LYS A 14 -7.864 4.627 -15.533 1.00 0.00 C ATOM 133 CG LYS A 14 -7.404 5.579 -14.426 1.00 0.00 C ATOM 134 CD LYS A 14 -8.136 6.915 -14.563 1.00 0.00 C ATOM 135 CE LYS A 14 -7.432 7.972 -13.706 1.00 0.00 C ATOM 136 NZ LYS A 14 -8.135 9.253 -14.007 1.00 0.00 N ATOM 0 H LYS A 14 -7.877 2.624 -16.866 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.813 3.109 -13.981 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.044 4.431 -16.224 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.666 5.085 -16.112 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.605 5.141 -13.448 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.327 5.734 -14.490 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.151 7.228 -15.607 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.174 6.808 -14.247 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.498 7.727 -12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.372 8.037 -13.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.706 10.023 -13.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.050 9.466 -15.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.140 9.165 -13.755 1.00 0.00 H new ATOM 150 N ALA A 15 -10.655 2.875 -15.459 1.00 0.00 N ATOM 151 CA ALA A 15 -12.121 2.886 -15.214 1.00 0.00 C ATOM 152 C ALA A 15 -12.443 1.874 -14.121 1.00 0.00 C ATOM 153 O ALA A 15 -13.180 2.154 -13.196 1.00 0.00 O ATOM 154 CB ALA A 15 -12.757 2.470 -16.542 1.00 0.00 C ATOM 0 H ALA A 15 -10.367 2.443 -16.337 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.491 3.858 -14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.842 2.456 -16.437 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.477 3.182 -17.318 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.406 1.476 -16.818 1.00 0.00 H new ATOM 160 N LYS A 16 -11.871 0.704 -14.205 1.00 0.00 N ATOM 161 CA LYS A 16 -12.120 -0.310 -13.153 1.00 0.00 C ATOM 162 C LYS A 16 -11.354 0.105 -11.892 1.00 0.00 C ATOM 163 O LYS A 16 -11.650 -0.323 -10.794 1.00 0.00 O ATOM 164 CB LYS A 16 -11.617 -1.630 -13.751 1.00 0.00 C ATOM 165 CG LYS A 16 -10.148 -1.850 -13.414 1.00 0.00 C ATOM 166 CD LYS A 16 -9.613 -3.034 -14.226 1.00 0.00 C ATOM 167 CE LYS A 16 -10.190 -4.338 -13.670 1.00 0.00 C ATOM 168 NZ LYS A 16 -9.482 -4.555 -12.377 1.00 0.00 N ATOM 0 H LYS A 16 -11.245 0.411 -14.955 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.166 -0.409 -12.862 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.211 -2.459 -13.366 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.749 -1.618 -14.833 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.573 -0.951 -13.638 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.033 -2.044 -12.348 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.886 -2.922 -15.275 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.524 -3.057 -14.180 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.267 -4.261 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.021 -5.168 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.468 -5.571 -12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.506 -4.204 -12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.977 -4.042 -11.620 1.00 0.00 H new ATOM 182 N TYR A 17 -10.390 0.974 -12.056 1.00 0.00 N ATOM 183 CA TYR A 17 -9.609 1.469 -10.887 1.00 0.00 C ATOM 184 C TYR A 17 -10.374 2.611 -10.219 1.00 0.00 C ATOM 185 O TYR A 17 -10.252 2.849 -9.035 1.00 0.00 O ATOM 186 CB TYR A 17 -8.299 2.006 -11.475 1.00 0.00 C ATOM 187 CG TYR A 17 -7.488 0.885 -12.087 1.00 0.00 C ATOM 188 CD1 TYR A 17 -7.983 -0.425 -12.096 1.00 0.00 C ATOM 189 CD2 TYR A 17 -6.233 1.162 -12.643 1.00 0.00 C ATOM 190 CE1 TYR A 17 -7.226 -1.455 -12.665 1.00 0.00 C ATOM 191 CE2 TYR A 17 -5.475 0.132 -13.211 1.00 0.00 C ATOM 192 CZ TYR A 17 -5.971 -1.177 -13.223 1.00 0.00 C ATOM 193 OH TYR A 17 -5.226 -2.194 -13.783 1.00 0.00 O ATOM 0 H TYR A 17 -10.110 1.363 -12.956 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.436 0.691 -10.144 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.516 2.759 -12.232 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.718 2.497 -10.694 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.949 -0.640 -11.664 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.850 2.172 -12.633 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.609 -2.465 -12.674 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.507 0.347 -13.640 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.827 -2.879 -14.143 1.00 0.00 H new ATOM 203 N ASP A 18 -11.155 3.325 -10.986 1.00 0.00 N ATOM 204 CA ASP A 18 -11.929 4.470 -10.421 1.00 0.00 C ATOM 205 C ASP A 18 -13.244 3.979 -9.816 1.00 0.00 C ATOM 206 O ASP A 18 -13.932 4.708 -9.128 1.00 0.00 O ATOM 207 CB ASP A 18 -12.200 5.384 -11.613 1.00 0.00 C ATOM 208 CG ASP A 18 -11.750 6.808 -11.281 1.00 0.00 C ATOM 209 OD1 ASP A 18 -12.370 7.420 -10.427 1.00 0.00 O ATOM 210 OD2 ASP A 18 -10.791 7.261 -11.885 1.00 0.00 O ATOM 0 H ASP A 18 -11.291 3.164 -11.984 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.387 4.980 -9.625 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.668 5.019 -12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.262 5.375 -11.857 1.00 0.00 H new ATOM 215 N ALA A 19 -13.583 2.743 -10.042 1.00 0.00 N ATOM 216 CA ALA A 19 -14.836 2.199 -9.452 1.00 0.00 C ATOM 217 C ALA A 19 -14.467 1.579 -8.119 1.00 0.00 C ATOM 218 O ALA A 19 -15.218 1.594 -7.164 1.00 0.00 O ATOM 219 CB ALA A 19 -15.324 1.135 -10.436 1.00 0.00 C ATOM 0 H ALA A 19 -13.048 2.086 -10.609 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.612 2.947 -9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.247 0.691 -10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.509 1.595 -11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.565 0.360 -10.540 1.00 0.00 H new ATOM 225 N ILE A 20 -13.273 1.067 -8.055 1.00 0.00 N ATOM 226 CA ILE A 20 -12.769 0.473 -6.807 1.00 0.00 C ATOM 227 C ILE A 20 -12.283 1.607 -5.909 1.00 0.00 C ATOM 228 O ILE A 20 -12.463 1.594 -4.707 1.00 0.00 O ATOM 229 CB ILE A 20 -11.603 -0.392 -7.267 1.00 0.00 C ATOM 230 CG1 ILE A 20 -12.124 -1.567 -8.093 1.00 0.00 C ATOM 231 CG2 ILE A 20 -10.860 -0.914 -6.055 1.00 0.00 C ATOM 232 CD1 ILE A 20 -10.947 -2.257 -8.786 1.00 0.00 C ATOM 0 H ILE A 20 -12.618 1.039 -8.836 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.507 -0.103 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.929 0.205 -7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.648 -2.274 -7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -12.842 -1.216 -8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -10.024 -1.534 -6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.484 -0.075 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.537 -1.509 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.314 -3.096 -9.377 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.442 -1.546 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.245 -2.621 -8.035 1.00 0.00 H new ATOM 244 N PHE A 21 -11.685 2.603 -6.507 1.00 0.00 N ATOM 245 CA PHE A 21 -11.195 3.771 -5.726 1.00 0.00 C ATOM 246 C PHE A 21 -12.400 4.516 -5.142 1.00 0.00 C ATOM 247 O PHE A 21 -12.349 5.057 -4.056 1.00 0.00 O ATOM 248 CB PHE A 21 -10.433 4.625 -6.755 1.00 0.00 C ATOM 249 CG PHE A 21 -10.625 6.100 -6.483 1.00 0.00 C ATOM 250 CD1 PHE A 21 -11.779 6.746 -6.937 1.00 0.00 C ATOM 251 CD2 PHE A 21 -9.650 6.820 -5.782 1.00 0.00 C ATOM 252 CE1 PHE A 21 -11.960 8.110 -6.694 1.00 0.00 C ATOM 253 CE2 PHE A 21 -9.831 8.187 -5.537 1.00 0.00 C ATOM 254 CZ PHE A 21 -10.988 8.832 -5.993 1.00 0.00 C ATOM 0 H PHE A 21 -11.515 2.656 -7.511 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.553 3.506 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.371 4.380 -6.721 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.783 4.388 -7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.532 6.190 -7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.759 6.321 -5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.851 8.607 -7.048 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.079 8.743 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.130 9.886 -5.804 1.00 0.00 H new ATOM 264 N ASP A 22 -13.488 4.529 -5.863 1.00 0.00 N ATOM 265 CA ASP A 22 -14.712 5.221 -5.368 1.00 0.00 C ATOM 266 C ASP A 22 -15.572 4.242 -4.563 1.00 0.00 C ATOM 267 O ASP A 22 -16.551 4.617 -3.948 1.00 0.00 O ATOM 268 CB ASP A 22 -15.445 5.683 -6.629 1.00 0.00 C ATOM 269 CG ASP A 22 -16.904 5.998 -6.290 1.00 0.00 C ATOM 270 OD1 ASP A 22 -17.677 5.062 -6.160 1.00 0.00 O ATOM 271 OD2 ASP A 22 -17.224 7.169 -6.165 1.00 0.00 O ATOM 0 H ASP A 22 -13.582 4.088 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.483 6.058 -4.709 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.958 6.567 -7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.398 4.907 -7.393 1.00 0.00 H new ATOM 276 N SER A 23 -15.200 2.989 -4.544 1.00 0.00 N ATOM 277 CA SER A 23 -15.979 1.989 -3.760 1.00 0.00 C ATOM 278 C SER A 23 -15.521 2.036 -2.302 1.00 0.00 C ATOM 279 O SER A 23 -16.118 1.446 -1.424 1.00 0.00 O ATOM 280 CB SER A 23 -15.644 0.638 -4.393 1.00 0.00 C ATOM 281 OG SER A 23 -16.237 -0.403 -3.626 1.00 0.00 O ATOM 0 H SER A 23 -14.390 2.616 -5.038 1.00 0.00 H new ATOM 0 HA SER A 23 -17.053 2.177 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 23 -16.011 0.603 -5.419 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.563 0.502 -4.437 1.00 0.00 H new ATOM 0 HG SER A 23 -16.025 -1.270 -4.031 1.00 0.00 H new ATOM 287 N LEU A 24 -14.456 2.745 -2.053 1.00 0.00 N ATOM 288 CA LEU A 24 -13.916 2.869 -0.671 1.00 0.00 C ATOM 289 C LEU A 24 -14.267 4.251 -0.127 1.00 0.00 C ATOM 290 O LEU A 24 -14.108 4.531 1.044 1.00 0.00 O ATOM 291 CB LEU A 24 -12.398 2.737 -0.828 1.00 0.00 C ATOM 292 CG LEU A 24 -12.071 1.668 -1.872 1.00 0.00 C ATOM 293 CD1 LEU A 24 -10.700 1.947 -2.484 1.00 0.00 C ATOM 294 CD2 LEU A 24 -12.051 0.296 -1.204 1.00 0.00 C ATOM 0 H LEU A 24 -13.928 3.253 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.320 2.122 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.971 3.694 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.947 2.473 0.128 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.829 1.687 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.471 1.183 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.707 2.927 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.942 1.930 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.818 -0.467 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.293 0.284 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.028 0.090 -0.766 1.00 0.00 H new ATOM 306 N SER A 25 -14.730 5.111 -1.000 1.00 0.00 N ATOM 307 CA SER A 25 -15.107 6.513 -0.611 1.00 0.00 C ATOM 308 C SER A 25 -13.868 7.410 -0.620 1.00 0.00 C ATOM 309 O SER A 25 -13.089 7.410 0.312 1.00 0.00 O ATOM 310 CB SER A 25 -15.712 6.430 0.793 1.00 0.00 C ATOM 311 OG SER A 25 -16.485 5.242 0.904 1.00 0.00 O ATOM 0 H SER A 25 -14.867 4.899 -1.988 1.00 0.00 H new ATOM 0 HA SER A 25 -15.822 6.943 -1.312 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.921 6.434 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.336 7.303 0.984 1.00 0.00 H new ATOM 0 HG SER A 25 -15.989 4.577 1.425 1.00 0.00 H new ATOM 317 N PRO A 26 -13.730 8.144 -1.690 1.00 0.00 N ATOM 318 CA PRO A 26 -12.575 9.058 -1.850 1.00 0.00 C ATOM 319 C PRO A 26 -12.755 10.310 -0.997 1.00 0.00 C ATOM 320 O PRO A 26 -13.858 10.736 -0.716 1.00 0.00 O ATOM 321 CB PRO A 26 -12.600 9.411 -3.331 1.00 0.00 C ATOM 322 CG PRO A 26 -14.022 9.223 -3.754 1.00 0.00 C ATOM 323 CD PRO A 26 -14.632 8.186 -2.843 1.00 0.00 C ATOM 0 HA PRO A 26 -11.633 8.609 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.272 10.437 -3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.931 8.766 -3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.570 10.163 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.073 8.898 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.644 8.462 -2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.697 7.215 -3.333 1.00 0.00 H new ATOM 331 N VAL A 27 -11.673 10.907 -0.595 1.00 0.00 N ATOM 332 CA VAL A 27 -11.759 12.142 0.230 1.00 0.00 C ATOM 333 C VAL A 27 -11.032 13.275 -0.490 1.00 0.00 C ATOM 334 O VAL A 27 -9.819 13.296 -0.565 1.00 0.00 O ATOM 335 CB VAL A 27 -11.060 11.795 1.543 1.00 0.00 C ATOM 336 CG1 VAL A 27 -11.143 12.988 2.496 1.00 0.00 C ATOM 337 CG2 VAL A 27 -11.745 10.585 2.179 1.00 0.00 C ATOM 0 H VAL A 27 -10.725 10.592 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.785 12.468 0.402 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.014 11.560 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.644 12.741 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.655 13.851 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.189 13.224 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.247 10.336 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.791 10.820 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.686 9.735 1.500 1.00 0.00 H new ATOM 347 N ASN A 28 -11.760 14.205 -1.039 1.00 0.00 N ATOM 348 CA ASN A 28 -11.102 15.319 -1.772 1.00 0.00 C ATOM 349 C ASN A 28 -10.296 14.749 -2.941 1.00 0.00 C ATOM 350 O ASN A 28 -9.427 15.399 -3.489 1.00 0.00 O ATOM 351 CB ASN A 28 -10.179 15.982 -0.748 1.00 0.00 C ATOM 352 CG ASN A 28 -9.638 17.292 -1.318 1.00 0.00 C ATOM 353 OD1 ASN A 28 -8.587 17.267 -2.089 1.00 0.00 O flip ATOM 354 ND2 ASN A 28 -10.177 18.350 -1.060 1.00 0.00 N flip ATOM 0 H ASN A 28 -12.779 14.242 -1.012 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.815 16.033 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.723 16.173 0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.354 15.314 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.999 18.370 -0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.807 19.218 -1.447 1.00 0.00 H new ATOM 361 N GLY A 29 -10.580 13.531 -3.321 1.00 0.00 N ATOM 362 CA GLY A 29 -9.837 12.904 -4.449 1.00 0.00 C ATOM 363 C GLY A 29 -8.688 12.062 -3.892 1.00 0.00 C ATOM 364 O GLY A 29 -7.621 11.996 -4.467 1.00 0.00 O ATOM 0 H GLY A 29 -11.297 12.943 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.508 12.279 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.449 13.674 -5.116 1.00 0.00 H new ATOM 368 N PHE A 30 -8.894 11.425 -2.771 1.00 0.00 N ATOM 369 CA PHE A 30 -7.802 10.598 -2.181 1.00 0.00 C ATOM 370 C PHE A 30 -8.347 9.425 -1.376 1.00 0.00 C ATOM 371 O PHE A 30 -9.344 9.526 -0.689 1.00 0.00 O ATOM 372 CB PHE A 30 -7.040 11.546 -1.261 1.00 0.00 C ATOM 373 CG PHE A 30 -6.327 12.552 -2.115 1.00 0.00 C ATOM 374 CD1 PHE A 30 -5.154 12.188 -2.777 1.00 0.00 C ATOM 375 CD2 PHE A 30 -6.849 13.839 -2.258 1.00 0.00 C ATOM 376 CE1 PHE A 30 -4.495 13.118 -3.588 1.00 0.00 C ATOM 377 CE2 PHE A 30 -6.194 14.769 -3.066 1.00 0.00 C ATOM 378 CZ PHE A 30 -5.016 14.412 -3.734 1.00 0.00 C ATOM 0 H PHE A 30 -9.765 11.441 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.176 10.167 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.726 12.046 -0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.327 10.992 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.756 11.191 -2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.758 14.114 -1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.586 12.840 -4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.596 15.765 -3.176 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.510 15.132 -4.360 1.00 0.00 H new ATOM 388 N LEU A 31 -7.659 8.323 -1.427 1.00 0.00 N ATOM 389 CA LEU A 31 -8.079 7.141 -0.631 1.00 0.00 C ATOM 390 C LEU A 31 -7.072 6.964 0.491 1.00 0.00 C ATOM 391 O LEU A 31 -5.900 7.195 0.307 1.00 0.00 O ATOM 392 CB LEU A 31 -8.014 5.938 -1.571 1.00 0.00 C ATOM 393 CG LEU A 31 -9.278 5.841 -2.417 1.00 0.00 C ATOM 394 CD1 LEU A 31 -9.334 4.448 -3.027 1.00 0.00 C ATOM 395 CD2 LEU A 31 -10.522 6.052 -1.549 1.00 0.00 C ATOM 0 H LEU A 31 -6.819 8.189 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.080 7.251 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.143 6.025 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.889 5.024 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.257 6.608 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.232 4.354 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.453 4.287 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.357 3.703 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.415 5.979 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.557 5.289 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.480 7.038 -1.087 1.00 0.00 H new ATOM 407 N SER A 32 -7.499 6.567 1.644 1.00 0.00 N ATOM 408 CA SER A 32 -6.524 6.398 2.751 1.00 0.00 C ATOM 409 C SER A 32 -6.006 4.965 2.785 1.00 0.00 C ATOM 410 O SER A 32 -6.720 4.031 2.498 1.00 0.00 O ATOM 411 CB SER A 32 -7.301 6.745 4.020 1.00 0.00 C ATOM 412 OG SER A 32 -8.225 5.705 4.308 1.00 0.00 O ATOM 0 H SER A 32 -8.470 6.353 1.872 1.00 0.00 H new ATOM 0 HA SER A 32 -5.647 7.035 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.614 6.877 4.856 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.829 7.690 3.889 1.00 0.00 H new ATOM 0 HG SER A 32 -8.723 5.926 5.123 1.00 0.00 H new ATOM 418 N GLY A 33 -4.759 4.792 3.128 1.00 0.00 N ATOM 419 CA GLY A 33 -4.185 3.419 3.182 1.00 0.00 C ATOM 420 C GLY A 33 -5.193 2.481 3.843 1.00 0.00 C ATOM 421 O GLY A 33 -5.202 1.294 3.598 1.00 0.00 O ATOM 0 H GLY A 33 -4.113 5.543 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.950 3.070 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.251 3.424 3.744 1.00 0.00 H new ATOM 425 N ASP A 34 -6.045 3.014 4.676 1.00 0.00 N ATOM 426 CA ASP A 34 -7.065 2.165 5.357 1.00 0.00 C ATOM 427 C ASP A 34 -8.111 1.678 4.351 1.00 0.00 C ATOM 428 O ASP A 34 -8.750 0.665 4.551 1.00 0.00 O ATOM 429 CB ASP A 34 -7.718 3.081 6.394 1.00 0.00 C ATOM 430 CG ASP A 34 -6.655 3.622 7.351 1.00 0.00 C ATOM 431 OD1 ASP A 34 -5.654 4.129 6.870 1.00 0.00 O ATOM 432 OD2 ASP A 34 -6.861 3.525 8.550 1.00 0.00 O ATOM 0 H ASP A 34 -6.079 4.005 4.915 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.621 1.279 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.225 3.907 5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.476 2.531 6.952 1.00 0.00 H new ATOM 437 N LYS A 35 -8.282 2.381 3.265 1.00 0.00 N ATOM 438 CA LYS A 35 -9.271 1.947 2.252 1.00 0.00 C ATOM 439 C LYS A 35 -8.549 1.106 1.212 1.00 0.00 C ATOM 440 O LYS A 35 -9.073 0.141 0.686 1.00 0.00 O ATOM 441 CB LYS A 35 -9.799 3.248 1.653 1.00 0.00 C ATOM 442 CG LYS A 35 -10.740 3.907 2.661 1.00 0.00 C ATOM 443 CD LYS A 35 -10.792 5.415 2.413 1.00 0.00 C ATOM 444 CE LYS A 35 -12.159 5.952 2.845 1.00 0.00 C ATOM 445 NZ LYS A 35 -11.956 6.450 4.234 1.00 0.00 N ATOM 0 H LYS A 35 -7.776 3.238 3.040 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.085 1.343 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.972 3.917 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.326 3.048 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.739 3.480 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.397 3.708 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.000 5.914 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.622 5.628 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.496 6.751 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.918 5.171 2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.851 6.834 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.642 5.666 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.233 7.198 4.233 1.00 0.00 H new ATOM 459 N VAL A 36 -7.330 1.458 0.932 1.00 0.00 N ATOM 460 CA VAL A 36 -6.546 0.676 -0.053 1.00 0.00 C ATOM 461 C VAL A 36 -6.069 -0.634 0.580 1.00 0.00 C ATOM 462 O VAL A 36 -6.057 -1.671 -0.050 1.00 0.00 O ATOM 463 CB VAL A 36 -5.355 1.560 -0.393 1.00 0.00 C ATOM 464 CG1 VAL A 36 -4.436 0.804 -1.348 1.00 0.00 C ATOM 465 CG2 VAL A 36 -5.850 2.849 -1.050 1.00 0.00 C ATOM 0 H VAL A 36 -6.843 2.254 1.343 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.130 0.415 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.806 1.814 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.579 1.429 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.090 -0.113 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.982 0.555 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.998 3.483 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.395 2.606 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.510 3.377 -0.363 1.00 0.00 H new ATOM 475 N LYS A 37 -5.665 -0.591 1.822 1.00 0.00 N ATOM 476 CA LYS A 37 -5.172 -1.830 2.494 1.00 0.00 C ATOM 477 C LYS A 37 -6.025 -3.042 2.103 1.00 0.00 C ATOM 478 O LYS A 37 -5.510 -4.020 1.601 1.00 0.00 O ATOM 479 CB LYS A 37 -5.300 -1.563 3.995 1.00 0.00 C ATOM 480 CG LYS A 37 -3.913 -1.563 4.641 1.00 0.00 C ATOM 481 CD LYS A 37 -3.996 -2.220 6.022 1.00 0.00 C ATOM 482 CE LYS A 37 -2.610 -2.726 6.439 1.00 0.00 C ATOM 483 NZ LYS A 37 -2.699 -4.215 6.394 1.00 0.00 N ATOM 0 H LYS A 37 -5.655 0.249 2.401 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.146 -2.056 2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.789 -0.604 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.927 -2.326 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.206 -2.103 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.543 -0.542 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.367 -1.503 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.704 -3.048 5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.838 -2.358 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.350 -2.378 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.864 -4.627 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.559 -4.527 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.737 -4.531 5.404 1.00 0.00 H new ATOM 497 N PRO A 38 -7.306 -2.940 2.343 1.00 0.00 N ATOM 498 CA PRO A 38 -8.227 -4.054 2.003 1.00 0.00 C ATOM 499 C PRO A 38 -8.276 -4.237 0.488 1.00 0.00 C ATOM 500 O PRO A 38 -8.420 -5.331 -0.015 1.00 0.00 O ATOM 501 CB PRO A 38 -9.572 -3.590 2.557 1.00 0.00 C ATOM 502 CG PRO A 38 -9.462 -2.102 2.620 1.00 0.00 C ATOM 503 CD PRO A 38 -8.020 -1.799 2.931 1.00 0.00 C ATOM 0 HA PRO A 38 -7.925 -5.017 2.416 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.394 -3.899 1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.763 -4.015 3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.759 -1.649 1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.120 -1.695 3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.702 -0.854 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.846 -1.724 4.004 1.00 0.00 H new ATOM 511 N VAL A 39 -8.143 -3.164 -0.236 1.00 0.00 N ATOM 512 CA VAL A 39 -8.162 -3.256 -1.722 1.00 0.00 C ATOM 513 C VAL A 39 -6.946 -4.053 -2.212 1.00 0.00 C ATOM 514 O VAL A 39 -6.994 -4.706 -3.235 1.00 0.00 O ATOM 515 CB VAL A 39 -8.103 -1.798 -2.191 1.00 0.00 C ATOM 516 CG1 VAL A 39 -7.575 -1.705 -3.628 1.00 0.00 C ATOM 517 CG2 VAL A 39 -9.509 -1.199 -2.125 1.00 0.00 C ATOM 0 H VAL A 39 -8.021 -2.223 0.138 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.041 -3.770 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.424 -1.246 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.543 -0.660 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.572 -2.128 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.235 -2.260 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.478 -0.161 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.177 -1.767 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.875 -1.241 -1.099 1.00 0.00 H new ATOM 527 N LEU A 40 -5.855 -4.002 -1.493 1.00 0.00 N ATOM 528 CA LEU A 40 -4.640 -4.755 -1.925 1.00 0.00 C ATOM 529 C LEU A 40 -4.606 -6.136 -1.272 1.00 0.00 C ATOM 530 O LEU A 40 -4.188 -7.105 -1.873 1.00 0.00 O ATOM 531 CB LEU A 40 -3.457 -3.918 -1.444 1.00 0.00 C ATOM 532 CG LEU A 40 -3.683 -2.460 -1.822 1.00 0.00 C ATOM 533 CD1 LEU A 40 -2.591 -1.592 -1.190 1.00 0.00 C ATOM 534 CD2 LEU A 40 -3.636 -2.328 -3.344 1.00 0.00 C ATOM 0 H LEU A 40 -5.753 -3.473 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.623 -4.910 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.346 -4.012 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.533 -4.283 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.655 -2.129 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.753 -0.549 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.626 -1.695 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.615 -1.914 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.797 -1.287 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.662 -2.655 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.416 -2.948 -3.787 1.00 0.00 H new ATOM 546 N LEU A 41 -5.046 -6.236 -0.051 1.00 0.00 N ATOM 547 CA LEU A 41 -5.038 -7.557 0.625 1.00 0.00 C ATOM 548 C LEU A 41 -6.099 -8.444 -0.004 1.00 0.00 C ATOM 549 O LEU A 41 -6.121 -9.643 0.191 1.00 0.00 O ATOM 550 CB LEU A 41 -5.384 -7.270 2.083 1.00 0.00 C ATOM 551 CG LEU A 41 -4.423 -6.224 2.638 1.00 0.00 C ATOM 552 CD1 LEU A 41 -5.136 -5.425 3.726 1.00 0.00 C ATOM 553 CD2 LEU A 41 -3.196 -6.923 3.227 1.00 0.00 C ATOM 0 H LEU A 41 -5.409 -5.462 0.505 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.079 -8.067 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.411 -6.913 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.320 -8.186 2.670 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.103 -5.552 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.457 -4.674 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.011 -4.933 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.450 -6.097 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.508 -6.177 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.508 -7.592 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.696 -7.499 2.448 1.00 0.00 H new ATOM 565 N ASN A 42 -6.982 -7.862 -0.765 1.00 0.00 N ATOM 566 CA ASN A 42 -8.036 -8.681 -1.405 1.00 0.00 C ATOM 567 C ASN A 42 -7.456 -9.392 -2.629 1.00 0.00 C ATOM 568 O ASN A 42 -8.043 -10.307 -3.171 1.00 0.00 O ATOM 569 CB ASN A 42 -9.127 -7.693 -1.818 1.00 0.00 C ATOM 570 CG ASN A 42 -10.429 -8.035 -1.092 1.00 0.00 C ATOM 571 OD1 ASN A 42 -11.118 -8.965 -1.461 1.00 0.00 O ATOM 572 ND2 ASN A 42 -10.798 -7.315 -0.068 1.00 0.00 N ATOM 0 H ASN A 42 -7.017 -6.863 -0.968 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.430 -9.448 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.821 -6.675 -1.577 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.279 -7.733 -2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.665 -7.533 0.423 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.219 -6.534 0.242 1.00 0.00 H new ATOM 579 N SER A 43 -6.300 -8.969 -3.061 1.00 0.00 N ATOM 580 CA SER A 43 -5.653 -9.600 -4.247 1.00 0.00 C ATOM 581 C SER A 43 -4.978 -10.915 -3.846 1.00 0.00 C ATOM 582 O SER A 43 -4.290 -11.536 -4.632 1.00 0.00 O ATOM 583 CB SER A 43 -4.612 -8.579 -4.695 1.00 0.00 C ATOM 584 OG SER A 43 -5.001 -7.294 -4.232 1.00 0.00 O ATOM 0 H SER A 43 -5.771 -8.206 -2.639 1.00 0.00 H new ATOM 0 HA SER A 43 -6.365 -9.842 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.631 -8.842 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.527 -8.579 -5.782 1.00 0.00 H new ATOM 0 HG SER A 43 -4.411 -7.018 -3.499 1.00 0.00 H new ATOM 590 N LYS A 44 -5.163 -11.339 -2.625 1.00 0.00 N ATOM 591 CA LYS A 44 -4.526 -12.607 -2.166 1.00 0.00 C ATOM 592 C LYS A 44 -3.007 -12.434 -2.107 1.00 0.00 C ATOM 593 O LYS A 44 -2.263 -13.392 -2.033 1.00 0.00 O ATOM 594 CB LYS A 44 -4.910 -13.657 -3.211 1.00 0.00 C ATOM 595 CG LYS A 44 -5.309 -14.953 -2.501 1.00 0.00 C ATOM 596 CD LYS A 44 -6.536 -15.558 -3.185 1.00 0.00 C ATOM 597 CE LYS A 44 -6.281 -15.676 -4.690 1.00 0.00 C ATOM 598 NZ LYS A 44 -7.519 -16.288 -5.254 1.00 0.00 N ATOM 0 H LYS A 44 -5.729 -10.861 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.856 -12.897 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.737 -13.294 -3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.073 -13.840 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.481 -15.662 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.527 -14.752 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.751 -16.540 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.411 -14.934 -3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.088 -14.699 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.408 -16.296 -4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.414 -16.398 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.674 -17.220 -4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.333 -15.673 -5.053 1.00 0.00 H new ATOM 612 N LEU A 45 -2.542 -11.213 -2.136 1.00 0.00 N ATOM 613 CA LEU A 45 -1.072 -10.971 -2.078 1.00 0.00 C ATOM 614 C LEU A 45 -0.644 -10.662 -0.647 1.00 0.00 C ATOM 615 O LEU A 45 -1.427 -10.182 0.149 1.00 0.00 O ATOM 616 CB LEU A 45 -0.826 -9.755 -2.968 1.00 0.00 C ATOM 617 CG LEU A 45 -0.680 -10.201 -4.422 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.482 -8.971 -5.308 1.00 0.00 C ATOM 619 CD2 LEU A 45 0.535 -11.124 -4.558 1.00 0.00 C ATOM 0 H LEU A 45 -3.117 -10.373 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.505 -11.842 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.653 -9.051 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.075 -9.233 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.578 -10.737 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.377 -9.284 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.345 -8.311 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.417 -8.439 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.637 -11.441 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.434 -10.589 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.400 -12.000 -3.923 1.00 0.00 H new ATOM 631 N PRO A 46 0.595 -10.944 -0.376 1.00 0.00 N ATOM 632 CA PRO A 46 1.154 -10.690 0.966 1.00 0.00 C ATOM 633 C PRO A 46 1.438 -9.193 1.140 1.00 0.00 C ATOM 634 O PRO A 46 1.229 -8.403 0.243 1.00 0.00 O ATOM 635 CB PRO A 46 2.446 -11.501 0.970 1.00 0.00 C ATOM 636 CG PRO A 46 2.840 -11.630 -0.466 1.00 0.00 C ATOM 637 CD PRO A 46 1.584 -11.523 -1.290 1.00 0.00 C ATOM 0 HA PRO A 46 0.484 -10.969 1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.223 -10.999 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.294 -12.480 1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.547 -10.848 -0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.335 -12.585 -0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.735 -10.890 -2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.264 -12.499 -1.655 1.00 0.00 H new ATOM 645 N VAL A 47 1.917 -8.802 2.286 1.00 0.00 N ATOM 646 CA VAL A 47 2.221 -7.367 2.528 1.00 0.00 C ATOM 647 C VAL A 47 3.513 -6.989 1.796 1.00 0.00 C ATOM 648 O VAL A 47 3.944 -5.852 1.819 1.00 0.00 O ATOM 649 CB VAL A 47 2.391 -7.278 4.053 1.00 0.00 C ATOM 650 CG1 VAL A 47 3.453 -6.236 4.426 1.00 0.00 C ATOM 651 CG2 VAL A 47 1.053 -6.889 4.685 1.00 0.00 C ATOM 0 H VAL A 47 2.113 -9.422 3.072 1.00 0.00 H new ATOM 0 HA VAL A 47 1.450 -6.687 2.166 1.00 0.00 H new ATOM 0 HB VAL A 47 2.716 -8.249 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.555 -6.192 5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.409 -6.516 3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.151 -5.258 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.167 -6.824 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.734 -5.922 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.304 -7.643 4.444 1.00 0.00 H new ATOM 661 N ASP A 48 4.134 -7.935 1.146 1.00 0.00 N ATOM 662 CA ASP A 48 5.392 -7.628 0.418 1.00 0.00 C ATOM 663 C ASP A 48 5.054 -7.079 -0.965 1.00 0.00 C ATOM 664 O ASP A 48 5.743 -6.230 -1.497 1.00 0.00 O ATOM 665 CB ASP A 48 6.128 -8.964 0.317 1.00 0.00 C ATOM 666 CG ASP A 48 7.260 -8.850 -0.706 1.00 0.00 C ATOM 667 OD1 ASP A 48 6.959 -8.702 -1.879 1.00 0.00 O ATOM 668 OD2 ASP A 48 8.408 -8.915 -0.299 1.00 0.00 O ATOM 0 H ASP A 48 3.823 -8.905 1.089 1.00 0.00 H new ATOM 0 HA ASP A 48 6.003 -6.878 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.531 -9.243 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.435 -9.751 0.021 1.00 0.00 H new ATOM 673 N ILE A 49 3.978 -7.540 -1.542 1.00 0.00 N ATOM 674 CA ILE A 49 3.579 -7.026 -2.880 1.00 0.00 C ATOM 675 C ILE A 49 2.775 -5.752 -2.693 1.00 0.00 C ATOM 676 O ILE A 49 2.858 -4.819 -3.467 1.00 0.00 O ATOM 677 CB ILE A 49 2.692 -8.100 -3.507 1.00 0.00 C ATOM 678 CG1 ILE A 49 3.231 -9.495 -3.192 1.00 0.00 C ATOM 679 CG2 ILE A 49 2.663 -7.899 -5.020 1.00 0.00 C ATOM 680 CD1 ILE A 49 4.667 -9.608 -3.681 1.00 0.00 C ATOM 0 H ILE A 49 3.360 -8.248 -1.145 1.00 0.00 H new ATOM 0 HA ILE A 49 4.443 -6.811 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 49 1.686 -8.014 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.186 -9.680 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.612 -10.253 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.032 -8.662 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.262 -6.912 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.675 -7.980 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.051 -10.603 -3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.699 -9.442 -4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.282 -8.860 -3.180 1.00 0.00 H new ATOM 692 N LEU A 50 1.997 -5.715 -1.655 1.00 0.00 N ATOM 693 CA LEU A 50 1.177 -4.514 -1.384 1.00 0.00 C ATOM 694 C LEU A 50 2.053 -3.453 -0.731 1.00 0.00 C ATOM 695 O LEU A 50 1.779 -2.272 -0.801 1.00 0.00 O ATOM 696 CB LEU A 50 0.096 -4.986 -0.422 1.00 0.00 C ATOM 697 CG LEU A 50 -0.518 -6.296 -0.928 1.00 0.00 C ATOM 698 CD1 LEU A 50 -1.589 -6.771 0.055 1.00 0.00 C ATOM 699 CD2 LEU A 50 -1.146 -6.073 -2.306 1.00 0.00 C ATOM 0 H LEU A 50 1.894 -6.471 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 50 0.746 -4.077 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.520 -5.133 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.678 -4.224 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 50 0.262 -7.054 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.026 -7.703 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.138 -6.936 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.368 -6.013 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.582 -7.006 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.925 -5.314 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.379 -5.740 -3.006 1.00 0.00 H new ATOM 711 N GLY A 51 3.122 -3.870 -0.111 1.00 0.00 N ATOM 712 CA GLY A 51 4.034 -2.883 0.525 1.00 0.00 C ATOM 713 C GLY A 51 4.785 -2.171 -0.585 1.00 0.00 C ATOM 714 O GLY A 51 5.236 -1.053 -0.440 1.00 0.00 O ATOM 0 H GLY A 51 3.401 -4.847 -0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.468 -2.169 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.730 -3.383 1.199 1.00 0.00 H new ATOM 718 N ARG A 52 4.906 -2.819 -1.704 1.00 0.00 N ATOM 719 CA ARG A 52 5.606 -2.199 -2.855 1.00 0.00 C ATOM 720 C ARG A 52 4.590 -1.666 -3.861 1.00 0.00 C ATOM 721 O ARG A 52 4.838 -0.696 -4.548 1.00 0.00 O ATOM 722 CB ARG A 52 6.419 -3.327 -3.472 1.00 0.00 C ATOM 723 CG ARG A 52 7.905 -3.030 -3.300 1.00 0.00 C ATOM 724 CD ARG A 52 8.707 -3.887 -4.276 1.00 0.00 C ATOM 725 NE ARG A 52 9.407 -4.892 -3.430 1.00 0.00 N ATOM 726 CZ ARG A 52 9.812 -6.015 -3.956 1.00 0.00 C ATOM 727 NH1 ARG A 52 8.939 -6.892 -4.370 1.00 0.00 N ATOM 728 NH2 ARG A 52 11.090 -6.260 -4.072 1.00 0.00 N ATOM 0 H ARG A 52 4.547 -3.759 -1.872 1.00 0.00 H new ATOM 0 HA ARG A 52 6.232 -1.358 -2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.168 -4.274 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.177 -3.429 -4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.100 -1.973 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.213 -3.240 -2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.055 -4.370 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.418 -3.282 -4.838 1.00 0.00 H new ATOM 0 HE ARG A 52 9.570 -4.703 -2.441 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.941 -6.699 -4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.254 -7.770 -4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.772 -5.573 -3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.406 -7.138 -4.483 1.00 0.00 H new ATOM 742 N VAL A 53 3.445 -2.287 -3.957 1.00 0.00 N ATOM 743 CA VAL A 53 2.435 -1.786 -4.930 1.00 0.00 C ATOM 744 C VAL A 53 1.899 -0.442 -4.450 1.00 0.00 C ATOM 745 O VAL A 53 1.683 0.462 -5.232 1.00 0.00 O ATOM 746 CB VAL A 53 1.336 -2.846 -4.972 1.00 0.00 C ATOM 747 CG1 VAL A 53 0.078 -2.261 -5.619 1.00 0.00 C ATOM 748 CG2 VAL A 53 1.819 -4.038 -5.805 1.00 0.00 C ATOM 0 H VAL A 53 3.169 -3.105 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 53 2.851 -1.629 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 53 1.106 -3.169 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.703 -3.020 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.267 -1.407 -5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.307 -1.939 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.039 -4.798 -5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.046 -3.706 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.716 -4.459 -5.352 1.00 0.00 H new ATOM 758 N TRP A 54 1.704 -0.285 -3.168 1.00 0.00 N ATOM 759 CA TRP A 54 1.209 1.024 -2.671 1.00 0.00 C ATOM 760 C TRP A 54 2.279 2.090 -2.918 1.00 0.00 C ATOM 761 O TRP A 54 2.004 3.143 -3.444 1.00 0.00 O ATOM 762 CB TRP A 54 0.974 0.864 -1.160 1.00 0.00 C ATOM 763 CG TRP A 54 0.972 2.228 -0.539 1.00 0.00 C ATOM 764 CD1 TRP A 54 2.080 2.969 -0.312 1.00 0.00 C ATOM 765 CD2 TRP A 54 -0.155 3.032 -0.091 1.00 0.00 C ATOM 766 NE1 TRP A 54 1.706 4.184 0.215 1.00 0.00 N ATOM 767 CE2 TRP A 54 0.339 4.268 0.390 1.00 0.00 C ATOM 768 CE3 TRP A 54 -1.544 2.815 -0.057 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -0.516 5.252 0.885 1.00 0.00 C ATOM 770 CZ3 TRP A 54 -2.407 3.806 0.446 1.00 0.00 C ATOM 771 CH2 TRP A 54 -1.893 5.017 0.914 1.00 0.00 C ATOM 0 H TRP A 54 1.864 -0.997 -2.455 1.00 0.00 H new ATOM 0 HA TRP A 54 0.292 1.325 -3.178 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.025 0.360 -0.974 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.755 0.246 -0.717 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.095 2.658 -0.512 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.359 4.932 0.448 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.951 1.882 -0.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.117 6.189 1.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.472 3.629 0.470 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.561 5.773 1.299 1.00 0.00 H new ATOM 782 N GLU A 55 3.493 1.833 -2.510 1.00 0.00 N ATOM 783 CA GLU A 55 4.564 2.852 -2.696 1.00 0.00 C ATOM 784 C GLU A 55 4.688 3.226 -4.169 1.00 0.00 C ATOM 785 O GLU A 55 4.541 4.373 -4.541 1.00 0.00 O ATOM 786 CB GLU A 55 5.837 2.191 -2.178 1.00 0.00 C ATOM 787 CG GLU A 55 5.741 2.025 -0.661 1.00 0.00 C ATOM 788 CD GLU A 55 7.111 2.281 -0.030 1.00 0.00 C ATOM 789 OE1 GLU A 55 8.049 1.595 -0.402 1.00 0.00 O ATOM 790 OE2 GLU A 55 7.199 3.157 0.813 1.00 0.00 O ATOM 0 H GLU A 55 3.787 0.967 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 55 4.354 3.779 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.975 1.220 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.705 2.798 -2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.006 2.720 -0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.398 1.020 -0.416 1.00 0.00 H new ATOM 797 N LEU A 56 4.933 2.270 -5.016 1.00 0.00 N ATOM 798 CA LEU A 56 5.035 2.588 -6.466 1.00 0.00 C ATOM 799 C LEU A 56 3.710 3.196 -6.939 1.00 0.00 C ATOM 800 O LEU A 56 3.625 3.795 -7.993 1.00 0.00 O ATOM 801 CB LEU A 56 5.310 1.249 -7.152 1.00 0.00 C ATOM 802 CG LEU A 56 6.664 0.707 -6.683 1.00 0.00 C ATOM 803 CD1 LEU A 56 6.581 -0.814 -6.534 1.00 0.00 C ATOM 804 CD2 LEU A 56 7.742 1.063 -7.712 1.00 0.00 C ATOM 0 H LEU A 56 5.066 1.289 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 56 5.820 3.310 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.519 0.537 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.312 1.376 -8.235 1.00 0.00 H new ATOM 0 HG LEU A 56 6.920 1.152 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.544 -1.200 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.815 -1.066 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.324 -1.260 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.705 0.677 -7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.487 0.619 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.802 2.146 -7.817 1.00 0.00 H new ATOM 816 N SER A 57 2.676 3.052 -6.148 1.00 0.00 N ATOM 817 CA SER A 57 1.348 3.626 -6.512 1.00 0.00 C ATOM 818 C SER A 57 1.180 5.005 -5.866 1.00 0.00 C ATOM 819 O SER A 57 0.596 5.907 -6.432 1.00 0.00 O ATOM 820 CB SER A 57 0.335 2.654 -5.922 1.00 0.00 C ATOM 821 OG SER A 57 -0.971 3.192 -6.071 1.00 0.00 O ATOM 0 H SER A 57 2.698 2.556 -5.257 1.00 0.00 H new ATOM 0 HA SER A 57 1.230 3.752 -7.588 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.403 1.689 -6.425 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.551 2.480 -4.868 1.00 0.00 H new ATOM 0 HG SER A 57 -0.981 3.825 -6.819 1.00 0.00 H new ATOM 827 N ASP A 58 1.679 5.160 -4.669 1.00 0.00 N ATOM 828 CA ASP A 58 1.547 6.459 -3.951 1.00 0.00 C ATOM 829 C ASP A 58 2.499 7.506 -4.532 1.00 0.00 C ATOM 830 O ASP A 58 3.619 7.651 -4.086 1.00 0.00 O ATOM 831 CB ASP A 58 1.920 6.146 -2.504 1.00 0.00 C ATOM 832 CG ASP A 58 0.677 6.289 -1.624 1.00 0.00 C ATOM 833 OD1 ASP A 58 -0.232 5.493 -1.788 1.00 0.00 O ATOM 834 OD2 ASP A 58 0.652 7.193 -0.805 1.00 0.00 O ATOM 0 H ASP A 58 2.177 4.434 -4.154 1.00 0.00 H new ATOM 0 HA ASP A 58 0.542 6.872 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.319 5.135 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.702 6.824 -2.162 1.00 0.00 H new ATOM 839 N ILE A 59 2.062 8.248 -5.512 1.00 0.00 N ATOM 840 CA ILE A 59 2.949 9.293 -6.094 1.00 0.00 C ATOM 841 C ILE A 59 3.320 10.306 -5.009 1.00 0.00 C ATOM 842 O ILE A 59 4.397 10.869 -5.008 1.00 0.00 O ATOM 843 CB ILE A 59 2.122 9.969 -7.187 1.00 0.00 C ATOM 844 CG1 ILE A 59 1.552 8.914 -8.141 1.00 0.00 C ATOM 845 CG2 ILE A 59 3.013 10.932 -7.970 1.00 0.00 C ATOM 846 CD1 ILE A 59 2.638 7.899 -8.506 1.00 0.00 C ATOM 0 H ILE A 59 1.135 8.177 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 59 3.874 8.876 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 59 1.299 10.517 -6.728 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.709 8.405 -7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.173 9.394 -9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.427 11.417 -8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.413 11.688 -7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.836 10.379 -8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.225 7.152 -9.184 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.467 8.412 -8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.996 7.408 -7.601 1.00 0.00 H new ATOM 858 N ASP A 60 2.430 10.538 -4.081 1.00 0.00 N ATOM 859 CA ASP A 60 2.720 11.512 -2.987 1.00 0.00 C ATOM 860 C ASP A 60 3.101 10.758 -1.714 1.00 0.00 C ATOM 861 O ASP A 60 3.576 11.338 -0.757 1.00 0.00 O ATOM 862 CB ASP A 60 1.423 12.304 -2.760 1.00 0.00 C ATOM 863 CG ASP A 60 0.569 12.323 -4.033 1.00 0.00 C ATOM 864 OD1 ASP A 60 0.901 13.074 -4.935 1.00 0.00 O ATOM 865 OD2 ASP A 60 -0.399 11.582 -4.081 1.00 0.00 O ATOM 0 H ASP A 60 1.513 10.094 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 60 3.547 12.173 -3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.857 11.857 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.662 13.325 -2.461 1.00 0.00 H new ATOM 870 N HIS A 61 2.884 9.469 -1.698 1.00 0.00 N ATOM 871 CA HIS A 61 3.222 8.659 -0.493 1.00 0.00 C ATOM 872 C HIS A 61 2.841 9.409 0.782 1.00 0.00 C ATOM 873 O HIS A 61 3.548 9.379 1.770 1.00 0.00 O ATOM 874 CB HIS A 61 4.734 8.421 -0.566 1.00 0.00 C ATOM 875 CG HIS A 61 5.472 9.705 -0.308 1.00 0.00 C ATOM 876 ND1 HIS A 61 5.736 10.163 0.973 1.00 0.00 N ATOM 877 CD2 HIS A 61 6.013 10.637 -1.159 1.00 0.00 C ATOM 878 CE1 HIS A 61 6.406 11.324 0.859 1.00 0.00 C ATOM 879 NE2 HIS A 61 6.603 11.658 -0.420 1.00 0.00 N ATOM 0 H HIS A 61 2.485 8.940 -2.473 1.00 0.00 H new ATOM 0 HA HIS A 61 2.675 7.717 -0.470 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.028 7.670 0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.001 8.030 -1.548 1.00 0.00 H new ATOM 0 HD1 HIS A 61 5.471 9.703 1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.985 10.586 -2.237 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.743 11.914 1.698 1.00 0.00 H new ATOM 887 N ASP A 62 1.712 10.061 0.776 1.00 0.00 N ATOM 888 CA ASP A 62 1.266 10.790 1.993 1.00 0.00 C ATOM 889 C ASP A 62 0.418 9.852 2.854 1.00 0.00 C ATOM 890 O ASP A 62 -0.072 10.222 3.902 1.00 0.00 O ATOM 891 CB ASP A 62 0.425 11.956 1.474 1.00 0.00 C ATOM 892 CG ASP A 62 -0.884 11.421 0.890 1.00 0.00 C ATOM 893 OD1 ASP A 62 -1.765 11.090 1.666 1.00 0.00 O ATOM 894 OD2 ASP A 62 -0.981 11.348 -0.324 1.00 0.00 O ATOM 0 H ASP A 62 1.079 10.120 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 62 2.096 11.141 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.215 12.656 2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.978 12.506 0.712 1.00 0.00 H new ATOM 899 N GLY A 63 0.241 8.633 2.412 1.00 0.00 N ATOM 900 CA GLY A 63 -0.573 7.666 3.192 1.00 0.00 C ATOM 901 C GLY A 63 -1.963 7.551 2.566 1.00 0.00 C ATOM 902 O GLY A 63 -2.895 7.087 3.192 1.00 0.00 O ATOM 0 H GLY A 63 0.628 8.269 1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.086 6.691 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.655 7.995 4.228 1.00 0.00 H new ATOM 906 N MET A 64 -2.112 7.955 1.326 1.00 0.00 N ATOM 907 CA MET A 64 -3.449 7.855 0.657 1.00 0.00 C ATOM 908 C MET A 64 -3.262 7.575 -0.840 1.00 0.00 C ATOM 909 O MET A 64 -2.210 7.819 -1.399 1.00 0.00 O ATOM 910 CB MET A 64 -4.154 9.217 0.821 1.00 0.00 C ATOM 911 CG MET A 64 -4.242 9.639 2.295 1.00 0.00 C ATOM 912 SD MET A 64 -5.946 9.509 2.897 1.00 0.00 S ATOM 913 CE MET A 64 -6.762 10.388 1.547 1.00 0.00 C ATOM 0 H MET A 64 -1.368 8.348 0.750 1.00 0.00 H new ATOM 0 HA MET A 64 -4.034 7.049 1.101 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.613 9.977 0.257 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.157 9.160 0.398 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.589 9.009 2.899 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.889 10.664 2.407 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.686 10.837 1.911 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.102 11.170 1.171 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.991 9.688 0.743 1.00 0.00 H new ATOM 923 N LEU A 65 -4.281 7.085 -1.497 1.00 0.00 N ATOM 924 CA LEU A 65 -4.171 6.810 -2.961 1.00 0.00 C ATOM 925 C LEU A 65 -5.211 7.634 -3.730 1.00 0.00 C ATOM 926 O LEU A 65 -6.396 7.383 -3.645 1.00 0.00 O ATOM 927 CB LEU A 65 -4.461 5.315 -3.114 1.00 0.00 C ATOM 928 CG LEU A 65 -3.179 4.511 -2.898 1.00 0.00 C ATOM 929 CD1 LEU A 65 -3.446 3.036 -3.210 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.081 5.037 -3.827 1.00 0.00 C ATOM 0 H LEU A 65 -5.186 6.863 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.190 7.076 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.219 5.007 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.864 5.114 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.857 4.613 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.533 2.461 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.227 2.660 -2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.768 2.936 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.167 4.463 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.402 4.935 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.891 6.088 -3.607 1.00 0.00 H new ATOM 942 N ASP A 66 -4.780 8.615 -4.480 1.00 0.00 N ATOM 943 CA ASP A 66 -5.752 9.447 -5.252 1.00 0.00 C ATOM 944 C ASP A 66 -6.371 8.626 -6.380 1.00 0.00 C ATOM 945 O ASP A 66 -5.932 7.535 -6.683 1.00 0.00 O ATOM 946 CB ASP A 66 -4.934 10.598 -5.832 1.00 0.00 C ATOM 947 CG ASP A 66 -5.875 11.702 -6.317 1.00 0.00 C ATOM 948 OD1 ASP A 66 -6.630 11.447 -7.240 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.825 12.785 -5.757 1.00 0.00 O ATOM 0 H ASP A 66 -3.800 8.876 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.568 9.803 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.254 10.992 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.320 10.241 -6.658 1.00 0.00 H new ATOM 954 N ARG A 67 -7.387 9.147 -7.009 1.00 0.00 N ATOM 955 CA ARG A 67 -8.032 8.397 -8.125 1.00 0.00 C ATOM 956 C ARG A 67 -6.967 7.947 -9.131 1.00 0.00 C ATOM 957 O ARG A 67 -6.999 6.843 -9.636 1.00 0.00 O ATOM 958 CB ARG A 67 -9.014 9.387 -8.766 1.00 0.00 C ATOM 959 CG ARG A 67 -8.263 10.341 -9.696 1.00 0.00 C ATOM 960 CD ARG A 67 -9.227 11.414 -10.216 1.00 0.00 C ATOM 961 NE ARG A 67 -10.353 10.655 -10.827 1.00 0.00 N ATOM 962 CZ ARG A 67 -11.585 11.002 -10.573 1.00 0.00 C ATOM 963 NH1 ARG A 67 -11.988 12.215 -10.836 1.00 0.00 N ATOM 964 NH2 ARG A 67 -12.413 10.137 -10.055 1.00 0.00 N ATOM 0 H ARG A 67 -7.798 10.057 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.545 7.498 -7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.776 8.845 -9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.530 9.953 -7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.435 10.809 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.833 9.788 -10.531 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.576 12.056 -9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.742 12.059 -10.949 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.162 9.865 -11.443 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.340 12.891 -11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.951 12.487 -10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.097 9.189 -9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.376 10.408 -9.857 1.00 0.00 H new ATOM 978 N ASP A 68 -6.014 8.792 -9.408 1.00 0.00 N ATOM 979 CA ASP A 68 -4.934 8.415 -10.366 1.00 0.00 C ATOM 980 C ASP A 68 -3.891 7.569 -9.641 1.00 0.00 C ATOM 981 O ASP A 68 -3.239 6.725 -10.224 1.00 0.00 O ATOM 982 CB ASP A 68 -4.326 9.739 -10.830 1.00 0.00 C ATOM 983 CG ASP A 68 -3.047 9.464 -11.623 1.00 0.00 C ATOM 984 OD1 ASP A 68 -2.039 9.166 -11.001 1.00 0.00 O ATOM 985 OD2 ASP A 68 -3.095 9.557 -12.838 1.00 0.00 O ATOM 0 H ASP A 68 -5.935 9.729 -9.013 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.304 7.831 -11.209 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.040 10.282 -11.449 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.104 10.371 -9.970 1.00 0.00 H new ATOM 990 N GLU A 69 -3.745 7.785 -8.363 1.00 0.00 N ATOM 991 CA GLU A 69 -2.766 6.992 -7.573 1.00 0.00 C ATOM 992 C GLU A 69 -3.320 5.587 -7.352 1.00 0.00 C ATOM 993 O GLU A 69 -2.632 4.600 -7.509 1.00 0.00 O ATOM 994 CB GLU A 69 -2.652 7.729 -6.241 1.00 0.00 C ATOM 995 CG GLU A 69 -1.227 7.607 -5.712 1.00 0.00 C ATOM 996 CD GLU A 69 -0.973 8.725 -4.699 1.00 0.00 C ATOM 997 OE1 GLU A 69 -1.809 8.908 -3.829 1.00 0.00 O ATOM 998 OE2 GLU A 69 0.046 9.383 -4.813 1.00 0.00 O ATOM 0 H GLU A 69 -4.266 8.482 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.800 6.895 -8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.914 8.779 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.356 7.311 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.082 6.634 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.514 7.674 -6.533 1.00 0.00 H new ATOM 1005 N PHE A 70 -4.571 5.502 -6.997 1.00 0.00 N ATOM 1006 CA PHE A 70 -5.197 4.174 -6.773 1.00 0.00 C ATOM 1007 C PHE A 70 -5.180 3.385 -8.082 1.00 0.00 C ATOM 1008 O PHE A 70 -5.305 2.178 -8.096 1.00 0.00 O ATOM 1009 CB PHE A 70 -6.630 4.488 -6.340 1.00 0.00 C ATOM 1010 CG PHE A 70 -7.280 3.238 -5.800 1.00 0.00 C ATOM 1011 CD1 PHE A 70 -7.120 2.892 -4.453 1.00 0.00 C ATOM 1012 CD2 PHE A 70 -8.044 2.427 -6.646 1.00 0.00 C ATOM 1013 CE1 PHE A 70 -7.724 1.734 -3.953 1.00 0.00 C ATOM 1014 CE2 PHE A 70 -8.647 1.269 -6.145 1.00 0.00 C ATOM 1015 CZ PHE A 70 -8.487 0.922 -4.798 1.00 0.00 C ATOM 0 H PHE A 70 -5.188 6.301 -6.852 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.677 3.573 -6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.628 5.267 -5.578 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.201 4.871 -7.186 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.531 3.519 -3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.168 2.695 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.601 1.467 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.236 0.642 -6.797 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.953 0.027 -4.412 1.00 0.00 H new ATOM 1025 N ALA A 71 -5.008 4.064 -9.183 1.00 0.00 N ATOM 1026 CA ALA A 71 -4.962 3.357 -10.494 1.00 0.00 C ATOM 1027 C ALA A 71 -3.624 2.636 -10.627 1.00 0.00 C ATOM 1028 O ALA A 71 -3.553 1.465 -10.952 1.00 0.00 O ATOM 1029 CB ALA A 71 -5.076 4.462 -11.546 1.00 0.00 C ATOM 0 H ALA A 71 -4.897 5.077 -9.231 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.753 2.615 -10.602 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.050 4.020 -12.542 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.016 4.997 -11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.244 5.157 -11.435 1.00 0.00 H new ATOM 1035 N VAL A 72 -2.564 3.339 -10.363 1.00 0.00 N ATOM 1036 CA VAL A 72 -1.209 2.737 -10.451 1.00 0.00 C ATOM 1037 C VAL A 72 -1.125 1.492 -9.565 1.00 0.00 C ATOM 1038 O VAL A 72 -0.388 0.565 -9.841 1.00 0.00 O ATOM 1039 CB VAL A 72 -0.284 3.833 -9.920 1.00 0.00 C ATOM 1040 CG1 VAL A 72 1.176 3.411 -10.093 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -0.542 5.131 -10.691 1.00 0.00 C ATOM 0 H VAL A 72 -2.579 4.320 -10.086 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.950 2.421 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.483 3.993 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.829 4.196 -9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.356 2.489 -9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.384 3.246 -11.150 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.116 5.914 -10.315 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.345 4.970 -11.751 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.580 5.434 -10.557 1.00 0.00 H new ATOM 1051 N ALA A 73 -1.862 1.477 -8.492 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.812 0.307 -7.568 1.00 0.00 C ATOM 1053 C ALA A 73 -2.847 -0.761 -7.946 1.00 0.00 C ATOM 1054 O ALA A 73 -2.894 -1.817 -7.352 1.00 0.00 O ATOM 1055 CB ALA A 73 -2.123 0.895 -6.196 1.00 0.00 C ATOM 0 H ALA A 73 -2.498 2.224 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.845 -0.195 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.108 0.102 -5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.374 1.646 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.110 1.358 -6.214 1.00 0.00 H new ATOM 1061 N MET A 74 -3.675 -0.510 -8.923 1.00 0.00 N ATOM 1062 CA MET A 74 -4.687 -1.541 -9.308 1.00 0.00 C ATOM 1063 C MET A 74 -4.074 -2.531 -10.288 1.00 0.00 C ATOM 1064 O MET A 74 -4.236 -3.728 -10.158 1.00 0.00 O ATOM 1065 CB MET A 74 -5.827 -0.765 -9.964 1.00 0.00 C ATOM 1066 CG MET A 74 -6.580 0.025 -8.896 1.00 0.00 C ATOM 1067 SD MET A 74 -8.028 -0.916 -8.359 1.00 0.00 S ATOM 1068 CE MET A 74 -7.315 -1.551 -6.821 1.00 0.00 C ATOM 0 H MET A 74 -3.697 0.353 -9.467 1.00 0.00 H new ATOM 0 HA MET A 74 -5.037 -2.116 -8.451 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.433 -0.089 -10.722 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.505 -1.452 -10.471 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.926 0.223 -8.047 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.888 0.992 -9.293 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.116 -1.845 -6.143 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.689 -2.416 -7.040 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.710 -0.775 -6.353 1.00 0.00 H new ATOM 1078 N PHE A 75 -3.352 -2.052 -11.256 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.715 -2.985 -12.217 1.00 0.00 C ATOM 1080 C PHE A 75 -1.461 -3.560 -11.558 1.00 0.00 C ATOM 1081 O PHE A 75 -1.004 -4.637 -11.890 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.392 -2.145 -13.458 1.00 0.00 C ATOM 1083 CG PHE A 75 -1.058 -1.459 -13.301 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -0.956 -0.302 -12.525 1.00 0.00 C ATOM 1085 CD2 PHE A 75 0.076 -1.983 -13.933 1.00 0.00 C ATOM 1086 CE1 PHE A 75 0.280 0.335 -12.381 1.00 0.00 C ATOM 1087 CE2 PHE A 75 1.313 -1.346 -13.789 1.00 0.00 C ATOM 1088 CZ PHE A 75 1.415 -0.186 -13.012 1.00 0.00 C ATOM 0 H PHE A 75 -3.176 -1.061 -11.423 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.347 -3.827 -12.500 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.378 -2.783 -14.342 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.173 -1.401 -13.614 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.831 0.100 -12.037 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.004 -2.879 -14.531 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.359 1.230 -11.782 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.188 -1.749 -14.277 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.369 0.307 -12.900 1.00 0.00 H new ATOM 1098 N LEU A 76 -0.927 -2.857 -10.592 1.00 0.00 N ATOM 1099 CA LEU A 76 0.268 -3.368 -9.869 1.00 0.00 C ATOM 1100 C LEU A 76 -0.171 -4.516 -8.967 1.00 0.00 C ATOM 1101 O LEU A 76 0.596 -5.401 -8.642 1.00 0.00 O ATOM 1102 CB LEU A 76 0.776 -2.188 -9.040 1.00 0.00 C ATOM 1103 CG LEU A 76 2.000 -1.577 -9.722 1.00 0.00 C ATOM 1104 CD1 LEU A 76 2.364 -0.260 -9.038 1.00 0.00 C ATOM 1105 CD2 LEU A 76 3.182 -2.549 -9.619 1.00 0.00 C ATOM 0 H LEU A 76 -1.270 -1.950 -10.275 1.00 0.00 H new ATOM 0 HA LEU A 76 1.047 -3.740 -10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.008 -1.438 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.034 -2.520 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 76 1.773 -1.390 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.237 0.174 -9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.525 0.432 -9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.590 -0.446 -7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.055 -2.113 -10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.408 -2.737 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.925 -3.488 -10.109 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.418 -4.516 -8.581 1.00 0.00 N ATOM 1118 CA VAL A 77 -1.933 -5.610 -7.720 1.00 0.00 C ATOM 1119 C VAL A 77 -2.465 -6.725 -8.608 1.00 0.00 C ATOM 1120 O VAL A 77 -2.200 -7.883 -8.382 1.00 0.00 O ATOM 1121 CB VAL A 77 -3.063 -4.984 -6.895 1.00 0.00 C ATOM 1122 CG1 VAL A 77 -3.866 -6.084 -6.196 1.00 0.00 C ATOM 1123 CG2 VAL A 77 -2.462 -4.064 -5.835 1.00 0.00 C ATOM 0 H VAL A 77 -2.102 -3.801 -8.828 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.167 -6.037 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.718 -4.417 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.668 -5.633 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.294 -6.753 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.209 -6.650 -5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.262 -3.616 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.809 -4.641 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.885 -3.277 -6.321 1.00 0.00 H new ATOM 1133 N TYR A 78 -3.207 -6.377 -9.621 1.00 0.00 N ATOM 1134 CA TYR A 78 -3.761 -7.414 -10.533 1.00 0.00 C ATOM 1135 C TYR A 78 -2.650 -8.057 -11.362 1.00 0.00 C ATOM 1136 O TYR A 78 -2.749 -9.198 -11.768 1.00 0.00 O ATOM 1137 CB TYR A 78 -4.730 -6.660 -11.440 1.00 0.00 C ATOM 1138 CG TYR A 78 -6.138 -6.900 -10.966 1.00 0.00 C ATOM 1139 CD1 TYR A 78 -6.670 -8.194 -10.991 1.00 0.00 C ATOM 1140 CD2 TYR A 78 -6.909 -5.832 -10.500 1.00 0.00 C ATOM 1141 CE1 TYR A 78 -7.979 -8.419 -10.549 1.00 0.00 C ATOM 1142 CE2 TYR A 78 -8.218 -6.054 -10.059 1.00 0.00 C ATOM 1143 CZ TYR A 78 -8.754 -7.348 -10.081 1.00 0.00 C ATOM 1144 OH TYR A 78 -10.045 -7.565 -9.647 1.00 0.00 O ATOM 0 H TYR A 78 -3.454 -5.416 -9.857 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.248 -8.221 -9.984 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.505 -5.593 -11.426 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.618 -6.996 -12.471 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.072 -9.018 -11.351 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.494 -4.835 -10.480 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.392 -9.417 -10.568 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.815 -5.228 -9.702 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.439 -6.716 -9.355 1.00 0.00 H new ATOM 1154 N CYS A 79 -1.590 -7.343 -11.616 1.00 0.00 N ATOM 1155 CA CYS A 79 -0.486 -7.933 -12.415 1.00 0.00 C ATOM 1156 C CYS A 79 0.351 -8.841 -11.523 1.00 0.00 C ATOM 1157 O CYS A 79 1.125 -9.651 -11.994 1.00 0.00 O ATOM 1158 CB CYS A 79 0.340 -6.747 -12.913 1.00 0.00 C ATOM 1159 SG CYS A 79 1.730 -7.355 -13.898 1.00 0.00 S ATOM 0 H CYS A 79 -1.442 -6.382 -11.306 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.848 -8.536 -13.248 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.282 -6.083 -13.513 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.706 -6.164 -12.068 1.00 0.00 H new ATOM 0 HG CYS A 79 2.046 -8.554 -13.508 1.00 0.00 H new ATOM 1165 N ALA A 80 0.193 -8.727 -10.234 1.00 0.00 N ATOM 1166 CA ALA A 80 0.972 -9.602 -9.322 1.00 0.00 C ATOM 1167 C ALA A 80 0.175 -10.873 -9.030 1.00 0.00 C ATOM 1168 O ALA A 80 0.675 -11.814 -8.445 1.00 0.00 O ATOM 1169 CB ALA A 80 1.187 -8.781 -8.050 1.00 0.00 C ATOM 0 H ALA A 80 -0.438 -8.069 -9.777 1.00 0.00 H new ATOM 0 HA ALA A 80 1.925 -9.912 -9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.758 -9.368 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.736 -7.871 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.221 -8.518 -7.619 1.00 0.00 H new ATOM 1175 N LEU A 81 -1.065 -10.900 -9.433 1.00 0.00 N ATOM 1176 CA LEU A 81 -1.909 -12.104 -9.186 1.00 0.00 C ATOM 1177 C LEU A 81 -1.773 -13.058 -10.357 1.00 0.00 C ATOM 1178 O LEU A 81 -1.798 -14.264 -10.205 1.00 0.00 O ATOM 1179 CB LEU A 81 -3.349 -11.590 -9.095 1.00 0.00 C ATOM 1180 CG LEU A 81 -3.397 -10.231 -8.394 1.00 0.00 C ATOM 1181 CD1 LEU A 81 -4.788 -10.016 -7.801 1.00 0.00 C ATOM 1182 CD2 LEU A 81 -2.354 -10.178 -7.273 1.00 0.00 C ATOM 0 H LEU A 81 -1.532 -10.138 -9.924 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.616 -12.634 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.773 -11.503 -10.095 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.962 -12.307 -8.550 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.179 -9.448 -9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.825 -9.048 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.531 -10.041 -8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.002 -10.805 -7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.397 -9.206 -6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.562 -10.962 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.360 -10.328 -7.694 1.00 0.00 H new ATOM 1194 N GLU A 82 -1.623 -12.521 -11.530 1.00 0.00 N ATOM 1195 CA GLU A 82 -1.477 -13.392 -12.719 1.00 0.00 C ATOM 1196 C GLU A 82 -0.142 -14.124 -12.649 1.00 0.00 C ATOM 1197 O GLU A 82 -0.092 -15.336 -12.607 1.00 0.00 O ATOM 1198 CB GLU A 82 -1.504 -12.439 -13.915 1.00 0.00 C ATOM 1199 CG GLU A 82 -2.947 -12.245 -14.384 1.00 0.00 C ATOM 1200 CD GLU A 82 -3.565 -11.047 -13.661 1.00 0.00 C ATOM 1201 OE1 GLU A 82 -3.821 -11.165 -12.474 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -3.772 -10.032 -14.305 1.00 0.00 O ATOM 0 H GLU A 82 -1.595 -11.518 -11.716 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.261 -14.146 -12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.069 -11.479 -13.638 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.898 -12.841 -14.727 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.971 -12.084 -15.462 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.529 -13.144 -14.183 1.00 0.00 H new ATOM 1209 N LYS A 83 0.937 -13.394 -12.618 1.00 0.00 N ATOM 1210 CA LYS A 83 2.279 -14.050 -12.539 1.00 0.00 C ATOM 1211 C LYS A 83 3.409 -13.017 -12.595 1.00 0.00 C ATOM 1212 O LYS A 83 4.128 -12.942 -13.572 1.00 0.00 O ATOM 1213 CB LYS A 83 2.356 -14.962 -13.762 1.00 0.00 C ATOM 1214 CG LYS A 83 3.213 -16.186 -13.434 1.00 0.00 C ATOM 1215 CD LYS A 83 2.349 -17.245 -12.747 1.00 0.00 C ATOM 1216 CE LYS A 83 2.923 -17.553 -11.363 1.00 0.00 C ATOM 1217 NZ LYS A 83 1.801 -17.300 -10.417 1.00 0.00 N ATOM 0 H LYS A 83 0.952 -12.374 -12.644 1.00 0.00 H new ATOM 0 HA LYS A 83 2.394 -14.593 -11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.355 -15.275 -14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.784 -14.421 -14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.649 -16.593 -14.346 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.041 -15.900 -12.785 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.323 -16.889 -12.656 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.319 -18.152 -13.350 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.268 -18.585 -11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.779 -16.916 -11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.117 -17.490 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.498 -16.308 -10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.003 -17.925 -10.650 1.00 0.00 H new ATOM 1231 N GLU A 84 3.592 -12.226 -11.575 1.00 0.00 N ATOM 1232 CA GLU A 84 4.700 -11.225 -11.632 1.00 0.00 C ATOM 1233 C GLU A 84 4.877 -10.512 -10.291 1.00 0.00 C ATOM 1234 O GLU A 84 3.921 -10.108 -9.669 1.00 0.00 O ATOM 1235 CB GLU A 84 4.276 -10.234 -12.714 1.00 0.00 C ATOM 1236 CG GLU A 84 5.278 -10.284 -13.867 1.00 0.00 C ATOM 1237 CD GLU A 84 4.575 -9.916 -15.174 1.00 0.00 C ATOM 1238 OE1 GLU A 84 4.048 -8.818 -15.251 1.00 0.00 O ATOM 1239 OE2 GLU A 84 4.576 -10.736 -16.077 1.00 0.00 O ATOM 0 H GLU A 84 3.036 -12.225 -10.720 1.00 0.00 H new ATOM 0 HA GLU A 84 5.658 -11.697 -11.851 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.277 -10.478 -13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.229 -9.226 -12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.100 -9.594 -13.678 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.710 -11.282 -13.943 1.00 0.00 H new ATOM 1246 N PRO A 85 6.111 -10.373 -9.895 1.00 0.00 N ATOM 1247 CA PRO A 85 6.425 -9.690 -8.621 1.00 0.00 C ATOM 1248 C PRO A 85 6.323 -8.172 -8.796 1.00 0.00 C ATOM 1249 O PRO A 85 5.885 -7.681 -9.817 1.00 0.00 O ATOM 1250 CB PRO A 85 7.866 -10.101 -8.342 1.00 0.00 C ATOM 1251 CG PRO A 85 8.450 -10.421 -9.682 1.00 0.00 C ATOM 1252 CD PRO A 85 7.317 -10.837 -10.587 1.00 0.00 C ATOM 0 HA PRO A 85 5.744 -9.955 -7.812 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.417 -9.297 -7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.908 -10.964 -7.678 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.968 -9.553 -10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.186 -11.221 -9.598 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.409 -10.383 -11.574 1.00 0.00 H new ATOM 0 HD3 PRO A 85 7.301 -11.917 -10.733 1.00 0.00 H new ATOM 1260 N VAL A 86 6.734 -7.427 -7.808 1.00 0.00 N ATOM 1261 CA VAL A 86 6.673 -5.940 -7.912 1.00 0.00 C ATOM 1262 C VAL A 86 8.024 -5.339 -7.518 1.00 0.00 C ATOM 1263 O VAL A 86 8.584 -5.692 -6.499 1.00 0.00 O ATOM 1264 CB VAL A 86 5.587 -5.520 -6.921 1.00 0.00 C ATOM 1265 CG1 VAL A 86 5.645 -4.006 -6.712 1.00 0.00 C ATOM 1266 CG2 VAL A 86 4.215 -5.901 -7.482 1.00 0.00 C ATOM 0 H VAL A 86 7.111 -7.784 -6.930 1.00 0.00 H new ATOM 0 HA VAL A 86 6.452 -5.599 -8.923 1.00 0.00 H new ATOM 0 HB VAL A 86 5.748 -6.026 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.871 -3.706 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.623 -3.730 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.483 -3.501 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.438 -5.603 -6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.057 -5.393 -8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.171 -6.979 -7.635 1.00 0.00 H new ATOM 1276 N PRO A 87 8.506 -4.447 -8.340 1.00 0.00 N ATOM 1277 CA PRO A 87 9.802 -3.795 -8.067 1.00 0.00 C ATOM 1278 C PRO A 87 9.593 -2.635 -7.099 1.00 0.00 C ATOM 1279 O PRO A 87 8.535 -2.482 -6.522 1.00 0.00 O ATOM 1280 CB PRO A 87 10.238 -3.284 -9.436 1.00 0.00 C ATOM 1281 CG PRO A 87 8.973 -3.110 -10.222 1.00 0.00 C ATOM 1282 CD PRO A 87 7.902 -3.966 -9.585 1.00 0.00 C ATOM 0 HA PRO A 87 10.540 -4.457 -7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.778 -2.341 -9.349 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.908 -3.992 -9.924 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.670 -2.063 -10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.127 -3.403 -11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.998 -3.390 -9.390 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.618 -4.794 -10.234 1.00 0.00 H new ATOM 1290 N MET A 88 10.582 -1.811 -6.923 1.00 0.00 N ATOM 1291 CA MET A 88 10.420 -0.655 -5.997 1.00 0.00 C ATOM 1292 C MET A 88 10.614 0.644 -6.763 1.00 0.00 C ATOM 1293 O MET A 88 10.797 1.694 -6.182 1.00 0.00 O ATOM 1294 CB MET A 88 11.531 -0.773 -4.960 1.00 0.00 C ATOM 1295 CG MET A 88 11.744 -2.235 -4.543 1.00 0.00 C ATOM 1296 SD MET A 88 11.236 -2.453 -2.818 1.00 0.00 S ATOM 1297 CE MET A 88 12.760 -3.234 -2.231 1.00 0.00 C ATOM 0 H MET A 88 11.493 -1.884 -7.376 1.00 0.00 H new ATOM 0 HA MET A 88 9.430 -0.656 -5.541 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.458 -0.369 -5.368 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.280 -0.174 -4.084 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.167 -2.896 -5.189 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.792 -2.509 -4.662 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.601 -3.635 -1.230 1.00 0.00 H new ATOM 0 HE2 MET A 88 13.038 -4.043 -2.906 1.00 0.00 H new ATOM 0 HE3 MET A 88 13.560 -2.494 -2.203 1.00 0.00 H new ATOM 1307 N SER A 89 10.600 0.590 -8.062 1.00 0.00 N ATOM 1308 CA SER A 89 10.812 1.838 -8.831 1.00 0.00 C ATOM 1309 C SER A 89 9.573 2.202 -9.625 1.00 0.00 C ATOM 1310 O SER A 89 9.343 1.714 -10.713 1.00 0.00 O ATOM 1311 CB SER A 89 11.970 1.548 -9.770 1.00 0.00 C ATOM 1312 OG SER A 89 13.080 1.074 -9.021 1.00 0.00 O ATOM 0 H SER A 89 10.453 -0.253 -8.617 1.00 0.00 H new ATOM 0 HA SER A 89 11.022 2.679 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.674 0.805 -10.511 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.245 2.451 -10.315 1.00 0.00 H new ATOM 0 HG SER A 89 13.827 0.885 -9.627 1.00 0.00 H new ATOM 1318 N LEU A 90 8.788 3.076 -9.093 1.00 0.00 N ATOM 1319 CA LEU A 90 7.568 3.505 -9.818 1.00 0.00 C ATOM 1320 C LEU A 90 8.000 4.111 -11.166 1.00 0.00 C ATOM 1321 O LEU A 90 8.598 5.167 -11.216 1.00 0.00 O ATOM 1322 CB LEU A 90 6.892 4.513 -8.865 1.00 0.00 C ATOM 1323 CG LEU A 90 6.554 5.819 -9.580 1.00 0.00 C ATOM 1324 CD1 LEU A 90 5.599 5.533 -10.741 1.00 0.00 C ATOM 1325 CD2 LEU A 90 5.876 6.774 -8.595 1.00 0.00 C ATOM 0 H LEU A 90 8.934 3.517 -8.185 1.00 0.00 H new ATOM 0 HA LEU A 90 6.867 2.707 -10.062 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.982 4.075 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.553 4.719 -8.023 1.00 0.00 H new ATOM 0 HG LEU A 90 7.469 6.272 -9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.358 6.465 -11.252 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.074 4.848 -11.443 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.684 5.082 -10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.633 7.708 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.961 6.318 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.550 6.978 -7.763 1.00 0.00 H new ATOM 1337 N PRO A 91 7.714 3.386 -12.216 1.00 0.00 N ATOM 1338 CA PRO A 91 8.104 3.821 -13.587 1.00 0.00 C ATOM 1339 C PRO A 91 7.376 5.100 -14.011 1.00 0.00 C ATOM 1340 O PRO A 91 6.275 5.372 -13.575 1.00 0.00 O ATOM 1341 CB PRO A 91 7.710 2.632 -14.462 1.00 0.00 C ATOM 1342 CG PRO A 91 6.649 1.923 -13.684 1.00 0.00 C ATOM 1343 CD PRO A 91 7.001 2.105 -12.231 1.00 0.00 C ATOM 0 HA PRO A 91 9.162 4.071 -13.662 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.337 2.961 -15.432 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.563 1.981 -14.653 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.665 2.338 -13.901 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.615 0.866 -13.947 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.111 2.132 -11.602 1.00 0.00 H new ATOM 0 HD3 PRO A 91 7.627 1.292 -11.864 1.00 0.00 H new ATOM 1351 N PRO A 92 8.045 5.849 -14.850 1.00 0.00 N ATOM 1352 CA PRO A 92 7.498 7.134 -15.356 1.00 0.00 C ATOM 1353 C PRO A 92 6.428 6.903 -16.426 1.00 0.00 C ATOM 1354 O PRO A 92 5.723 7.811 -16.815 1.00 0.00 O ATOM 1355 CB PRO A 92 8.712 7.822 -15.967 1.00 0.00 C ATOM 1356 CG PRO A 92 9.653 6.715 -16.328 1.00 0.00 C ATOM 1357 CD PRO A 92 9.376 5.562 -15.399 1.00 0.00 C ATOM 0 HA PRO A 92 7.016 7.717 -14.571 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.434 8.404 -16.846 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.170 8.513 -15.259 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.510 6.414 -17.366 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.687 7.045 -16.232 1.00 0.00 H new ATOM 0 HD2 PRO A 92 9.390 4.611 -15.931 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.126 5.498 -14.611 1.00 0.00 H new ATOM 1365 N ALA A 93 6.292 5.698 -16.896 1.00 0.00 N ATOM 1366 CA ALA A 93 5.255 5.418 -17.930 1.00 0.00 C ATOM 1367 C ALA A 93 3.920 5.209 -17.229 1.00 0.00 C ATOM 1368 O ALA A 93 2.860 5.347 -17.806 1.00 0.00 O ATOM 1369 CB ALA A 93 5.711 4.133 -18.622 1.00 0.00 C ATOM 0 H ALA A 93 6.852 4.894 -16.611 1.00 0.00 H new ATOM 0 HA ALA A 93 5.135 6.228 -18.649 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.995 3.864 -19.398 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.691 4.290 -19.072 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.773 3.328 -17.890 1.00 0.00 H new ATOM 1375 N LEU A 94 3.985 4.882 -15.976 1.00 0.00 N ATOM 1376 CA LEU A 94 2.761 4.658 -15.174 1.00 0.00 C ATOM 1377 C LEU A 94 2.525 5.887 -14.278 1.00 0.00 C ATOM 1378 O LEU A 94 1.531 5.997 -13.591 1.00 0.00 O ATOM 1379 CB LEU A 94 3.117 3.389 -14.375 1.00 0.00 C ATOM 1380 CG LEU A 94 2.389 3.323 -13.034 1.00 0.00 C ATOM 1381 CD1 LEU A 94 2.987 4.352 -12.073 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.898 3.587 -13.240 1.00 0.00 C ATOM 0 H LEU A 94 4.857 4.758 -15.462 1.00 0.00 H new ATOM 0 HA LEU A 94 1.840 4.529 -15.743 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.865 2.508 -14.966 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.193 3.361 -14.203 1.00 0.00 H new ATOM 0 HG LEU A 94 2.510 2.329 -12.604 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.466 4.303 -11.117 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.045 4.136 -11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.877 5.351 -12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.384 3.539 -12.280 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.761 4.577 -13.676 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.485 2.834 -13.911 1.00 0.00 H new ATOM 1394 N VAL A 95 3.445 6.816 -14.284 1.00 0.00 N ATOM 1395 CA VAL A 95 3.293 8.030 -13.428 1.00 0.00 C ATOM 1396 C VAL A 95 2.620 9.173 -14.209 1.00 0.00 C ATOM 1397 O VAL A 95 2.850 9.342 -15.389 1.00 0.00 O ATOM 1398 CB VAL A 95 4.737 8.381 -13.013 1.00 0.00 C ATOM 1399 CG1 VAL A 95 5.193 9.707 -13.636 1.00 0.00 C ATOM 1400 CG2 VAL A 95 4.810 8.493 -11.488 1.00 0.00 C ATOM 0 H VAL A 95 4.296 6.786 -14.845 1.00 0.00 H new ATOM 0 HA VAL A 95 2.652 7.862 -12.562 1.00 0.00 H new ATOM 0 HB VAL A 95 5.396 7.590 -13.371 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.214 9.924 -13.323 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.155 9.631 -14.723 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.534 10.510 -13.306 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.829 8.741 -11.190 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.132 9.275 -11.148 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.522 7.542 -11.039 1.00 0.00 H new ATOM 1410 N PRO A 96 1.819 9.926 -13.500 1.00 0.00 N ATOM 1411 CA PRO A 96 1.108 11.078 -14.106 1.00 0.00 C ATOM 1412 C PRO A 96 2.071 12.254 -14.309 1.00 0.00 C ATOM 1413 O PRO A 96 3.214 12.196 -13.900 1.00 0.00 O ATOM 1414 CB PRO A 96 0.046 11.427 -13.068 1.00 0.00 C ATOM 1415 CG PRO A 96 0.586 10.922 -11.766 1.00 0.00 C ATOM 1416 CD PRO A 96 1.501 9.766 -12.076 1.00 0.00 C ATOM 0 HA PRO A 96 0.687 10.854 -15.086 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.129 12.502 -13.031 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.908 10.957 -13.307 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.127 11.711 -11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.225 10.604 -11.111 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.401 9.795 -11.462 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.014 8.810 -11.882 1.00 0.00 H new ATOM 1424 N PRO A 97 1.571 13.286 -14.932 1.00 0.00 N ATOM 1425 CA PRO A 97 2.394 14.494 -15.190 1.00 0.00 C ATOM 1426 C PRO A 97 2.620 15.278 -13.895 1.00 0.00 C ATOM 1427 O PRO A 97 3.431 16.180 -13.841 1.00 0.00 O ATOM 1428 CB PRO A 97 1.548 15.299 -16.173 1.00 0.00 C ATOM 1429 CG PRO A 97 0.142 14.854 -15.928 1.00 0.00 C ATOM 1430 CD PRO A 97 0.206 13.426 -15.452 1.00 0.00 C ATOM 0 HA PRO A 97 3.386 14.261 -15.578 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.658 16.370 -16.004 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.849 15.107 -17.203 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.338 15.487 -15.182 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.451 14.930 -16.840 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.538 13.229 -14.680 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.015 12.725 -16.265 1.00 0.00 H new ATOM 1438 N SER A 98 1.918 14.940 -12.847 1.00 0.00 N ATOM 1439 CA SER A 98 2.111 15.668 -11.563 1.00 0.00 C ATOM 1440 C SER A 98 3.393 15.186 -10.891 1.00 0.00 C ATOM 1441 O SER A 98 3.961 15.858 -10.052 1.00 0.00 O ATOM 1442 CB SER A 98 0.889 15.321 -10.713 1.00 0.00 C ATOM 1443 OG SER A 98 -0.279 15.833 -11.340 1.00 0.00 O ATOM 0 H SER A 98 1.222 14.194 -12.825 1.00 0.00 H new ATOM 0 HA SER A 98 2.204 16.745 -11.703 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.809 14.240 -10.595 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.995 15.744 -9.714 1.00 0.00 H new ATOM 0 HG SER A 98 -1.065 15.611 -10.799 1.00 0.00 H new ATOM 1449 N LYS A 99 3.860 14.031 -11.267 1.00 0.00 N ATOM 1450 CA LYS A 99 5.114 13.505 -10.666 1.00 0.00 C ATOM 1451 C LYS A 99 6.313 13.992 -11.478 1.00 0.00 C ATOM 1452 O LYS A 99 7.445 13.658 -11.193 1.00 0.00 O ATOM 1453 CB LYS A 99 4.987 11.983 -10.751 1.00 0.00 C ATOM 1454 CG LYS A 99 5.550 11.354 -9.476 1.00 0.00 C ATOM 1455 CD LYS A 99 7.034 11.043 -9.676 1.00 0.00 C ATOM 1456 CE LYS A 99 7.545 10.215 -8.495 1.00 0.00 C ATOM 1457 NZ LYS A 99 8.705 10.983 -7.963 1.00 0.00 N ATOM 0 H LYS A 99 3.427 13.427 -11.966 1.00 0.00 H new ATOM 0 HA LYS A 99 5.261 13.839 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.942 11.701 -10.878 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.526 11.610 -11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.420 12.034 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.005 10.441 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.180 10.496 -10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.603 11.969 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.772 10.090 -7.736 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.844 9.216 -8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.111 10.479 -7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.427 11.080 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.388 11.927 -7.662 1.00 0.00 H new ATOM 1471 N ARG A 100 6.074 14.786 -12.490 1.00 0.00 N ATOM 1472 CA ARG A 100 7.206 15.295 -13.315 1.00 0.00 C ATOM 1473 C ARG A 100 6.956 16.759 -13.712 1.00 0.00 C ATOM 1474 O ARG A 100 6.683 17.594 -12.873 1.00 0.00 O ATOM 1475 CB ARG A 100 7.241 14.379 -14.540 1.00 0.00 C ATOM 1476 CG ARG A 100 5.860 14.337 -15.196 1.00 0.00 C ATOM 1477 CD ARG A 100 5.999 13.861 -16.643 1.00 0.00 C ATOM 1478 NE ARG A 100 6.043 12.375 -16.553 1.00 0.00 N ATOM 1479 CZ ARG A 100 5.847 11.650 -17.621 1.00 0.00 C ATOM 1480 NH1 ARG A 100 4.832 11.899 -18.402 1.00 0.00 N ATOM 1481 NH2 ARG A 100 6.666 10.674 -17.906 1.00 0.00 N ATOM 0 H ARG A 100 5.148 15.102 -12.778 1.00 0.00 H new ATOM 0 HA ARG A 100 8.156 15.282 -12.781 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.982 14.739 -15.254 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.544 13.374 -14.246 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.203 13.666 -14.643 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.402 15.326 -15.169 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.159 14.196 -17.252 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.904 14.256 -17.104 1.00 0.00 H new ATOM 0 HE ARG A 100 6.226 11.924 -15.657 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.191 12.660 -18.178 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.679 11.332 -19.236 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.458 10.478 -17.294 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.513 10.107 -18.740 1.00 0.00 H new TER 1495 ARG A 100 ATOM 1496 N SER B 107 2.693 7.062 8.916 1.00 0.00 N ATOM 1497 CA SER B 107 2.971 5.774 8.221 1.00 0.00 C ATOM 1498 C SER B 107 2.695 5.913 6.722 1.00 0.00 C ATOM 1499 O SER B 107 1.559 5.949 6.291 1.00 0.00 O ATOM 1500 CB SER B 107 2.010 4.767 8.851 1.00 0.00 C ATOM 1501 OG SER B 107 0.714 4.942 8.293 1.00 0.00 O ATOM 0 HA SER B 107 4.011 5.465 8.326 1.00 0.00 H new ATOM 0 HB2 SER B 107 2.361 3.751 8.672 1.00 0.00 H new ATOM 0 HB3 SER B 107 1.975 4.907 9.931 1.00 0.00 H new ATOM 0 HG SER B 107 0.752 5.616 7.583 1.00 0.00 H new ATOM 1507 N THR B 108 3.723 5.988 5.925 1.00 0.00 N ATOM 1508 CA THR B 108 3.517 6.121 4.454 1.00 0.00 C ATOM 1509 C THR B 108 2.783 4.894 3.917 1.00 0.00 C ATOM 1510 O THR B 108 1.639 4.964 3.515 1.00 0.00 O ATOM 1511 CB THR B 108 4.925 6.202 3.862 1.00 0.00 C ATOM 1512 OG1 THR B 108 5.670 5.058 4.259 1.00 0.00 O ATOM 1513 CG2 THR B 108 5.622 7.466 4.370 1.00 0.00 C ATOM 0 H THR B 108 4.697 5.963 6.227 1.00 0.00 H new ATOM 0 HA THR B 108 2.916 6.993 4.197 1.00 0.00 H new ATOM 0 HB THR B 108 4.861 6.236 2.774 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.913 4.535 3.467 1.00 0.00 H new ATOM 0 HG21 THR B 108 6.625 7.523 3.948 1.00 0.00 H new ATOM 0 HG22 THR B 108 5.050 8.343 4.067 1.00 0.00 H new ATOM 0 HG23 THR B 108 5.687 7.433 5.458 1.00 0.00 H new ATOM 1521 N ASN B 109 3.437 3.770 3.912 1.00 0.00 N ATOM 1522 CA ASN B 109 2.790 2.527 3.407 1.00 0.00 C ATOM 1523 C ASN B 109 2.166 1.750 4.571 1.00 0.00 C ATOM 1524 O ASN B 109 2.799 1.539 5.586 1.00 0.00 O ATOM 1525 CB ASN B 109 3.926 1.728 2.772 1.00 0.00 C ATOM 1526 CG ASN B 109 3.370 0.437 2.173 1.00 0.00 C ATOM 1527 OD1 ASN B 109 3.001 -0.472 2.892 1.00 0.00 O ATOM 1528 ND2 ASN B 109 3.293 0.316 0.878 1.00 0.00 N ATOM 0 H ASN B 109 4.397 3.656 4.237 1.00 0.00 H new ATOM 0 HA ASN B 109 1.988 2.731 2.697 1.00 0.00 H new ATOM 0 HB2 ASN B 109 4.412 2.321 1.997 1.00 0.00 H new ATOM 0 HB3 ASN B 109 4.684 1.497 3.520 1.00 0.00 H new ATOM 0 HD21 ASN B 109 2.923 -0.541 0.467 1.00 0.00 H new ATOM 0 HD22 ASN B 109 3.602 1.078 0.275 1.00 0.00 H new ATOM 1535 N PRO B 110 0.936 1.354 4.383 1.00 0.00 N ATOM 1536 CA PRO B 110 0.208 0.599 5.432 1.00 0.00 C ATOM 1537 C PRO B 110 0.722 -0.845 5.527 1.00 0.00 C ATOM 1538 O PRO B 110 0.618 -1.480 6.557 1.00 0.00 O ATOM 1539 CB PRO B 110 -1.241 0.634 4.956 1.00 0.00 C ATOM 1540 CG PRO B 110 -1.161 0.823 3.474 1.00 0.00 C ATOM 1541 CD PRO B 110 0.113 1.575 3.188 1.00 0.00 C ATOM 0 HA PRO B 110 0.337 1.024 6.428 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -1.761 -0.290 5.208 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -1.791 1.448 5.428 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -1.162 -0.140 2.963 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -2.025 1.378 3.110 1.00 0.00 H new ATOM 0 HD2 PRO B 110 0.605 1.199 2.291 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -0.078 2.636 3.026 1.00 0.00 H new ATOM 1549 N PHE B 111 1.272 -1.371 4.465 1.00 0.00 N ATOM 1550 CA PHE B 111 1.782 -2.776 4.511 1.00 0.00 C ATOM 1551 C PHE B 111 3.184 -2.819 5.134 1.00 0.00 C ATOM 1552 O PHE B 111 3.466 -3.635 5.989 1.00 0.00 O ATOM 1553 CB PHE B 111 1.829 -3.233 3.051 1.00 0.00 C ATOM 1554 CG PHE B 111 0.464 -3.075 2.436 1.00 0.00 C ATOM 1555 CD1 PHE B 111 0.109 -1.868 1.824 1.00 0.00 C ATOM 1556 CD2 PHE B 111 -0.449 -4.135 2.480 1.00 0.00 C ATOM 1557 CE1 PHE B 111 -1.161 -1.721 1.256 1.00 0.00 C ATOM 1558 CE2 PHE B 111 -1.719 -3.987 1.913 1.00 0.00 C ATOM 1559 CZ PHE B 111 -2.075 -2.780 1.302 1.00 0.00 C ATOM 0 H PHE B 111 1.391 -0.893 3.572 1.00 0.00 H new ATOM 0 HA PHE B 111 1.148 -3.421 5.120 1.00 0.00 H new ATOM 0 HB2 PHE B 111 2.560 -2.644 2.497 1.00 0.00 H new ATOM 0 HB3 PHE B 111 2.148 -4.274 2.994 1.00 0.00 H new ATOM 0 HD1 PHE B 111 0.814 -1.051 1.790 1.00 0.00 H new ATOM 0 HD2 PHE B 111 -0.173 -5.067 2.951 1.00 0.00 H new ATOM 0 HE1 PHE B 111 -1.436 -0.790 0.782 1.00 0.00 H new ATOM 0 HE2 PHE B 111 -2.424 -4.804 1.947 1.00 0.00 H new ATOM 0 HZ PHE B 111 -3.056 -2.665 0.865 1.00 0.00 H new ATOM 1569 N LEU B 112 4.063 -1.950 4.712 1.00 0.00 N ATOM 1570 CA LEU B 112 5.444 -1.948 5.281 1.00 0.00 C ATOM 1571 C LEU B 112 5.391 -1.951 6.812 1.00 0.00 C ATOM 1572 O LEU B 112 6.207 -2.634 7.411 1.00 0.00 O ATOM 1573 CB LEU B 112 6.081 -0.656 4.771 1.00 0.00 C ATOM 1574 CG LEU B 112 7.196 -0.993 3.780 1.00 0.00 C ATOM 1575 CD1 LEU B 112 8.228 -1.894 4.460 1.00 0.00 C ATOM 1576 CD2 LEU B 112 6.601 -1.722 2.574 1.00 0.00 C ATOM 1577 OXT LEU B 112 4.541 -1.269 7.359 1.00 0.00 O ATOM 0 H LEU B 112 3.886 -1.242 3.999 1.00 0.00 H new ATOM 0 HA LEU B 112 6.012 -2.830 4.983 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.328 -0.032 4.289 1.00 0.00 H new ATOM 0 HB3 LEU B 112 6.483 -0.082 5.606 1.00 0.00 H new ATOM 0 HG LEU B 112 7.678 -0.073 3.449 1.00 0.00 H new ATOM 0 HD11 LEU B 112 9.023 -2.134 3.754 1.00 0.00 H new ATOM 0 HD12 LEU B 112 8.652 -1.377 5.321 1.00 0.00 H new ATOM 0 HD13 LEU B 112 7.746 -2.814 4.791 1.00 0.00 H new ATOM 0 HD21 LEU B 112 7.395 -1.963 1.867 1.00 0.00 H new ATOM 0 HD22 LEU B 112 6.119 -2.642 2.906 1.00 0.00 H new ATOM 0 HD23 LEU B 112 5.865 -1.082 2.089 1.00 0.00 H new TER 1589 LEU B 112 HETATM 1590 CA CA A 113 -0.098 9.537 -2.166 1.00 0.00 CA