USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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= -2.55! USER MOD Set 1.2: A 64 MET CE :methyl -151:sc= -0.165 (180deg=-1.25) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -133:sc= 0.369 (180deg=-0.0118) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 105:sc= -2.8! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 108:sc= -0.674! USER MOD Single : A 28 ASN :FLIP amide:sc= -1.62! C(o=-2.4!,f=-1.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -2.75 F(o=-8.6!,f=-2.8) USER MOD Single : A 43 SER OG : rot 25:sc= -4.54! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -149:sc= -7.46! USER MOD Single : A 61 HIS :FLIP no HD1:sc= -2.18 F(o=-4.2!,f=-2.2) USER MOD Single : A 74 MET CE :methyl -132:sc= -3.38! (180deg=-7.18!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 114:sc= -0.648! USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 7 -12.058 -0.716 17.442 1.00 0.00 N ATOM 16 CA TRP A 7 -11.110 -0.438 16.326 1.00 0.00 C ATOM 17 C TRP A 7 -10.440 -1.735 15.870 1.00 0.00 C ATOM 18 O TRP A 7 -9.754 -2.389 16.630 1.00 0.00 O ATOM 19 CB TRP A 7 -10.076 0.519 16.921 1.00 0.00 C ATOM 20 CG TRP A 7 -9.168 1.007 15.842 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.409 0.889 14.518 1.00 0.00 C ATOM 22 CD2 TRP A 7 -7.886 1.687 15.966 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.357 1.449 13.820 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.392 1.955 14.667 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.109 2.092 17.066 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.174 2.603 14.466 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -5.881 2.745 16.867 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.414 3.000 15.570 1.00 0.00 C ATOM 0 HA TRP A 7 -11.607 -0.013 15.454 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.577 1.362 17.398 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.499 0.012 17.695 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.282 0.431 14.077 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.300 1.484 12.802 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.458 1.900 18.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.820 2.797 13.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.293 3.053 17.719 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.469 3.502 15.424 1.00 0.00 H new ATOM 39 N ALA A 8 -10.632 -2.106 14.634 1.00 0.00 N ATOM 40 CA ALA A 8 -10.001 -3.357 14.123 1.00 0.00 C ATOM 41 C ALA A 8 -8.569 -3.462 14.638 1.00 0.00 C ATOM 42 O ALA A 8 -8.038 -4.538 14.828 1.00 0.00 O ATOM 43 CB ALA A 8 -10.007 -3.197 12.607 1.00 0.00 C ATOM 0 H ALA A 8 -11.199 -1.597 13.955 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.527 -4.256 14.446 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.558 -4.077 12.146 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.033 -3.088 12.257 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.434 -2.312 12.332 1.00 0.00 H new ATOM 49 N VAL A 9 -7.943 -2.344 14.866 1.00 0.00 N ATOM 50 CA VAL A 9 -6.545 -2.361 15.373 1.00 0.00 C ATOM 51 C VAL A 9 -6.546 -2.316 16.902 1.00 0.00 C ATOM 52 O VAL A 9 -7.507 -1.900 17.519 1.00 0.00 O ATOM 53 CB VAL A 9 -5.902 -1.105 14.790 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.469 -0.976 15.310 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.882 -1.209 13.262 1.00 0.00 C ATOM 0 H VAL A 9 -8.341 -1.416 14.723 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.003 -3.262 15.084 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.477 -0.229 15.090 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.010 -0.079 14.894 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.482 -0.906 16.398 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.893 -1.851 15.010 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.423 -0.314 12.842 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.306 -2.085 12.964 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.902 -1.302 12.890 1.00 0.00 H new ATOM 65 N LYS A 10 -5.481 -2.744 17.520 1.00 0.00 N ATOM 66 CA LYS A 10 -5.427 -2.729 19.009 1.00 0.00 C ATOM 67 C LYS A 10 -4.178 -1.984 19.483 1.00 0.00 C ATOM 68 O LYS A 10 -3.381 -1.540 18.680 1.00 0.00 O ATOM 69 CB LYS A 10 -5.361 -4.204 19.414 1.00 0.00 C ATOM 70 CG LYS A 10 -6.701 -4.629 20.017 1.00 0.00 C ATOM 71 CD LYS A 10 -6.998 -6.080 19.631 1.00 0.00 C ATOM 72 CE LYS A 10 -8.437 -6.429 20.018 1.00 0.00 C ATOM 73 NZ LYS A 10 -8.373 -7.833 20.511 1.00 0.00 N ATOM 0 H LYS A 10 -4.645 -3.104 17.059 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.285 -2.222 19.452 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.129 -4.820 18.545 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.560 -4.358 20.137 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.672 -4.529 21.102 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.497 -3.976 19.658 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.855 -6.219 18.559 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.302 -6.751 20.135 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.813 -5.756 20.789 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.108 -6.341 19.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.323 -8.145 20.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.018 -8.451 19.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.732 -7.885 21.329 1.00 0.00 H new ATOM 87 N PRO A 11 -4.046 -1.874 20.778 1.00 0.00 N ATOM 88 CA PRO A 11 -2.875 -1.179 21.368 1.00 0.00 C ATOM 89 C PRO A 11 -1.596 -1.969 21.085 1.00 0.00 C ATOM 90 O PRO A 11 -0.548 -1.407 20.840 1.00 0.00 O ATOM 91 CB PRO A 11 -3.193 -1.145 22.861 1.00 0.00 C ATOM 92 CG PRO A 11 -4.143 -2.279 23.071 1.00 0.00 C ATOM 93 CD PRO A 11 -4.956 -2.385 21.810 1.00 0.00 C ATOM 0 HA PRO A 11 -2.708 -0.183 20.959 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.291 -1.267 23.461 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.641 -0.194 23.149 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.605 -3.207 23.266 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.784 -2.095 23.933 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.255 -3.414 21.609 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.870 -1.794 21.869 1.00 0.00 H new ATOM 101 N GLU A 12 -1.676 -3.270 21.102 1.00 0.00 N ATOM 102 CA GLU A 12 -0.465 -4.091 20.816 1.00 0.00 C ATOM 103 C GLU A 12 -0.103 -3.950 19.339 1.00 0.00 C ATOM 104 O GLU A 12 1.053 -3.903 18.970 1.00 0.00 O ATOM 105 CB GLU A 12 -0.854 -5.537 21.142 1.00 0.00 C ATOM 106 CG GLU A 12 -1.705 -5.571 22.411 1.00 0.00 C ATOM 107 CD GLU A 12 -1.307 -6.776 23.266 1.00 0.00 C ATOM 108 OE1 GLU A 12 -1.748 -7.870 22.954 1.00 0.00 O ATOM 109 OE2 GLU A 12 -0.569 -6.584 24.217 1.00 0.00 O ATOM 0 H GLU A 12 -2.525 -3.800 21.301 1.00 0.00 H new ATOM 0 HA GLU A 12 0.399 -3.778 21.402 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.408 -5.970 20.310 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.042 -6.142 21.278 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.568 -4.650 22.977 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.762 -5.631 22.150 1.00 0.00 H new ATOM 116 N ASP A 13 -1.091 -3.857 18.494 1.00 0.00 N ATOM 117 CA ASP A 13 -0.817 -3.691 17.040 1.00 0.00 C ATOM 118 C ASP A 13 -0.572 -2.211 16.758 1.00 0.00 C ATOM 119 O ASP A 13 0.222 -1.845 15.916 1.00 0.00 O ATOM 120 CB ASP A 13 -2.082 -4.177 16.331 1.00 0.00 C ATOM 121 CG ASP A 13 -1.892 -5.625 15.874 1.00 0.00 C ATOM 122 OD1 ASP A 13 -1.370 -6.407 16.652 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.273 -5.928 14.756 1.00 0.00 O ATOM 0 H ASP A 13 -2.078 -3.889 18.748 1.00 0.00 H new ATOM 0 HA ASP A 13 0.058 -4.247 16.702 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.937 -4.107 17.003 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.298 -3.540 15.473 1.00 0.00 H new ATOM 128 N LYS A 14 -1.242 -1.359 17.483 1.00 0.00 N ATOM 129 CA LYS A 14 -1.043 0.102 17.291 1.00 0.00 C ATOM 130 C LYS A 14 0.245 0.520 17.992 1.00 0.00 C ATOM 131 O LYS A 14 0.833 1.539 17.689 1.00 0.00 O ATOM 132 CB LYS A 14 -2.255 0.760 17.951 1.00 0.00 C ATOM 133 CG LYS A 14 -1.998 2.258 18.132 1.00 0.00 C ATOM 134 CD LYS A 14 -2.154 2.971 16.789 1.00 0.00 C ATOM 135 CE LYS A 14 -2.214 4.483 17.019 1.00 0.00 C ATOM 136 NZ LYS A 14 -0.797 4.935 16.973 1.00 0.00 N ATOM 0 H LYS A 14 -1.920 -1.613 18.201 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.959 0.388 16.242 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.143 0.606 17.338 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.451 0.296 18.918 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.697 2.672 18.858 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.995 2.420 18.527 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.318 2.725 16.135 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.061 2.632 16.288 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.811 4.976 16.251 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.673 4.718 17.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.607 5.564 17.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.167 4.109 17.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.625 5.448 16.085 1.00 0.00 H new ATOM 150 N ALA A 15 0.691 -0.275 18.927 1.00 0.00 N ATOM 151 CA ALA A 15 1.949 0.056 19.648 1.00 0.00 C ATOM 152 C ALA A 15 3.121 -0.065 18.681 1.00 0.00 C ATOM 153 O ALA A 15 4.005 0.768 18.651 1.00 0.00 O ATOM 154 CB ALA A 15 2.057 -0.982 20.766 1.00 0.00 C ATOM 0 H ALA A 15 0.237 -1.139 19.221 1.00 0.00 H new ATOM 0 HA ALA A 15 1.956 1.069 20.049 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.964 -0.802 21.343 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.189 -0.904 21.420 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.096 -1.981 20.332 1.00 0.00 H new ATOM 160 N LYS A 16 3.120 -1.085 17.866 1.00 0.00 N ATOM 161 CA LYS A 16 4.218 -1.236 16.881 1.00 0.00 C ATOM 162 C LYS A 16 4.021 -0.185 15.787 1.00 0.00 C ATOM 163 O LYS A 16 4.963 0.334 15.223 1.00 0.00 O ATOM 164 CB LYS A 16 4.091 -2.682 16.360 1.00 0.00 C ATOM 165 CG LYS A 16 3.417 -2.721 14.986 1.00 0.00 C ATOM 166 CD LYS A 16 3.656 -4.087 14.339 1.00 0.00 C ATOM 167 CE LYS A 16 2.524 -5.043 14.722 1.00 0.00 C ATOM 168 NZ LYS A 16 3.019 -6.395 14.338 1.00 0.00 N ATOM 0 H LYS A 16 2.408 -1.815 17.843 1.00 0.00 H new ATOM 0 HA LYS A 16 5.217 -1.080 17.289 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.080 -3.136 16.295 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.513 -3.276 17.068 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.347 -2.537 15.088 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.817 -1.931 14.350 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.706 -3.983 13.255 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.614 -4.492 14.665 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.306 -4.990 15.789 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.602 -4.795 14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.298 -7.107 14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.212 -6.417 13.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.894 -6.606 14.860 1.00 0.00 H new ATOM 182 N TYR A 17 2.789 0.148 15.509 1.00 0.00 N ATOM 183 CA TYR A 17 2.513 1.185 14.481 1.00 0.00 C ATOM 184 C TYR A 17 3.027 2.529 14.986 1.00 0.00 C ATOM 185 O TYR A 17 3.554 3.331 14.241 1.00 0.00 O ATOM 186 CB TYR A 17 0.987 1.233 14.347 1.00 0.00 C ATOM 187 CG TYR A 17 0.443 -0.114 13.934 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.312 -1.156 13.590 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.942 -0.317 13.892 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.797 -2.398 13.206 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.459 -1.560 13.507 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.589 -2.601 13.162 1.00 0.00 C ATOM 193 OH TYR A 17 -1.097 -3.827 12.782 1.00 0.00 O ATOM 0 H TYR A 17 1.963 -0.255 15.951 1.00 0.00 H new ATOM 0 HA TYR A 17 2.995 0.966 13.528 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.543 1.534 15.296 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.705 1.985 13.610 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.380 -1.001 13.621 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.613 0.487 14.157 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.468 -3.202 12.943 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.527 -1.715 13.476 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.421 -4.306 13.573 1.00 0.00 H new ATOM 203 N ASP A 18 2.867 2.777 16.257 1.00 0.00 N ATOM 204 CA ASP A 18 3.331 4.069 16.836 1.00 0.00 C ATOM 205 C ASP A 18 4.859 4.133 16.836 1.00 0.00 C ATOM 206 O ASP A 18 5.444 5.176 17.050 1.00 0.00 O ATOM 207 CB ASP A 18 2.785 4.080 18.265 1.00 0.00 C ATOM 208 CG ASP A 18 3.029 5.452 18.895 1.00 0.00 C ATOM 209 OD1 ASP A 18 3.758 6.233 18.305 1.00 0.00 O ATOM 210 OD2 ASP A 18 2.482 5.699 19.958 1.00 0.00 O ATOM 0 H ASP A 18 2.433 2.137 16.922 1.00 0.00 H new ATOM 0 HA ASP A 18 2.983 4.929 16.263 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.718 3.855 18.260 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.271 3.305 18.857 1.00 0.00 H new ATOM 215 N ALA A 19 5.509 3.037 16.569 1.00 0.00 N ATOM 216 CA ALA A 19 6.997 3.056 16.519 1.00 0.00 C ATOM 217 C ALA A 19 7.398 3.216 15.065 1.00 0.00 C ATOM 218 O ALA A 19 8.358 3.879 14.732 1.00 0.00 O ATOM 219 CB ALA A 19 7.452 1.703 17.065 1.00 0.00 C ATOM 0 H ALA A 19 5.077 2.132 16.384 1.00 0.00 H new ATOM 0 HA ALA A 19 7.443 3.864 17.098 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.541 1.654 17.054 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.093 1.584 18.087 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.047 0.905 16.443 1.00 0.00 H new ATOM 225 N ILE A 20 6.621 2.635 14.195 1.00 0.00 N ATOM 226 CA ILE A 20 6.883 2.761 12.748 1.00 0.00 C ATOM 227 C ILE A 20 6.381 4.131 12.308 1.00 0.00 C ATOM 228 O ILE A 20 6.924 4.756 11.422 1.00 0.00 O ATOM 229 CB ILE A 20 6.057 1.643 12.120 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.792 0.312 12.275 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.839 1.935 10.643 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.808 -0.837 12.043 1.00 0.00 C ATOM 0 H ILE A 20 5.806 2.072 14.436 1.00 0.00 H new ATOM 0 HA ILE A 20 7.933 2.680 12.468 1.00 0.00 H new ATOM 0 HB ILE A 20 5.092 1.584 12.623 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.614 0.252 11.562 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.228 0.238 13.271 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.249 1.135 10.197 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.309 2.881 10.534 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.803 1.999 10.139 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.328 -1.789 12.152 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.001 -0.778 12.773 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.393 -0.764 11.038 1.00 0.00 H new ATOM 244 N PHE A 21 5.349 4.603 12.957 1.00 0.00 N ATOM 245 CA PHE A 21 4.800 5.943 12.628 1.00 0.00 C ATOM 246 C PHE A 21 5.825 6.999 13.049 1.00 0.00 C ATOM 247 O PHE A 21 6.033 7.993 12.383 1.00 0.00 O ATOM 248 CB PHE A 21 3.505 6.042 13.452 1.00 0.00 C ATOM 249 CG PHE A 21 3.254 7.467 13.891 1.00 0.00 C ATOM 250 CD1 PHE A 21 4.014 8.020 14.928 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.262 8.231 13.265 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.783 9.336 15.340 1.00 0.00 C ATOM 253 CE2 PHE A 21 2.030 9.548 13.679 1.00 0.00 C ATOM 254 CZ PHE A 21 2.792 10.100 14.717 1.00 0.00 C ATOM 0 H PHE A 21 4.862 4.111 13.706 1.00 0.00 H new ATOM 0 HA PHE A 21 4.597 6.095 11.568 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.663 5.686 12.858 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.575 5.395 14.326 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.779 7.430 15.410 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.676 7.805 12.464 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.370 9.762 16.140 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.264 10.138 13.198 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.614 11.116 15.036 1.00 0.00 H new ATOM 264 N ASP A 22 6.472 6.771 14.156 1.00 0.00 N ATOM 265 CA ASP A 22 7.496 7.733 14.643 1.00 0.00 C ATOM 266 C ASP A 22 8.873 7.358 14.083 1.00 0.00 C ATOM 267 O ASP A 22 9.861 8.013 14.350 1.00 0.00 O ATOM 268 CB ASP A 22 7.468 7.603 16.164 1.00 0.00 C ATOM 269 CG ASP A 22 8.696 8.296 16.759 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.972 9.415 16.358 1.00 0.00 O ATOM 271 OD2 ASP A 22 9.337 7.697 17.606 1.00 0.00 O ATOM 0 H ASP A 22 6.334 5.953 14.749 1.00 0.00 H new ATOM 0 HA ASP A 22 7.296 8.756 14.325 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.557 8.051 16.561 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.457 6.551 16.449 1.00 0.00 H new ATOM 276 N SER A 23 8.939 6.321 13.289 1.00 0.00 N ATOM 277 CA SER A 23 10.245 5.921 12.690 1.00 0.00 C ATOM 278 C SER A 23 10.385 6.591 11.323 1.00 0.00 C ATOM 279 O SER A 23 11.346 6.390 10.607 1.00 0.00 O ATOM 280 CB SER A 23 10.174 4.402 12.542 1.00 0.00 C ATOM 281 OG SER A 23 11.151 3.803 13.382 1.00 0.00 O ATOM 0 H SER A 23 8.145 5.735 13.030 1.00 0.00 H new ATOM 0 HA SER A 23 11.100 6.217 13.297 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.179 4.045 12.809 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.346 4.118 11.504 1.00 0.00 H new ATOM 0 HG SER A 23 11.107 2.828 13.291 1.00 0.00 H new ATOM 287 N LEU A 24 9.420 7.392 10.970 1.00 0.00 N ATOM 288 CA LEU A 24 9.451 8.105 9.663 1.00 0.00 C ATOM 289 C LEU A 24 9.537 9.607 9.920 1.00 0.00 C ATOM 290 O LEU A 24 9.574 10.402 9.003 1.00 0.00 O ATOM 291 CB LEU A 24 8.113 7.791 8.969 1.00 0.00 C ATOM 292 CG LEU A 24 7.466 6.532 9.547 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.043 6.399 9.003 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.280 5.308 9.135 1.00 0.00 C ATOM 0 H LEU A 24 8.598 7.586 11.541 1.00 0.00 H new ATOM 0 HA LEU A 24 10.302 7.797 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.434 8.636 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.278 7.659 7.900 1.00 0.00 H new ATOM 0 HG LEU A 24 7.438 6.603 10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.579 5.502 9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.460 7.274 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.074 6.326 7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.820 4.410 9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.305 5.237 8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.297 5.402 9.516 1.00 0.00 H new ATOM 306 N SER A 25 9.533 9.992 11.174 1.00 0.00 N ATOM 307 CA SER A 25 9.578 11.441 11.537 1.00 0.00 C ATOM 308 C SER A 25 8.180 12.034 11.383 1.00 0.00 C ATOM 309 O SER A 25 7.828 12.550 10.342 1.00 0.00 O ATOM 310 CB SER A 25 10.563 12.104 10.574 1.00 0.00 C ATOM 311 OG SER A 25 11.590 11.179 10.240 1.00 0.00 O ATOM 0 H SER A 25 9.500 9.355 11.970 1.00 0.00 H new ATOM 0 HA SER A 25 9.897 11.597 12.567 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.044 12.430 9.672 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.994 12.994 11.033 1.00 0.00 H new ATOM 0 HG SER A 25 11.468 10.874 9.317 1.00 0.00 H new ATOM 317 N PRO A 26 7.426 11.913 12.436 1.00 0.00 N ATOM 318 CA PRO A 26 6.032 12.412 12.447 1.00 0.00 C ATOM 319 C PRO A 26 6.006 13.934 12.531 1.00 0.00 C ATOM 320 O PRO A 26 6.855 14.554 13.140 1.00 0.00 O ATOM 321 CB PRO A 26 5.440 11.793 13.708 1.00 0.00 C ATOM 322 CG PRO A 26 6.611 11.545 14.601 1.00 0.00 C ATOM 323 CD PRO A 26 7.805 11.304 13.712 1.00 0.00 C ATOM 0 HA PRO A 26 5.479 12.149 11.545 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.721 12.464 14.177 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.912 10.867 13.483 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.784 12.400 15.255 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.429 10.684 15.244 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.706 11.762 14.121 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.011 10.239 13.600 1.00 0.00 H new ATOM 331 N VAL A 27 5.025 14.532 11.927 1.00 0.00 N ATOM 332 CA VAL A 27 4.913 16.015 11.966 1.00 0.00 C ATOM 333 C VAL A 27 3.656 16.408 12.743 1.00 0.00 C ATOM 334 O VAL A 27 2.549 16.263 12.262 1.00 0.00 O ATOM 335 CB VAL A 27 4.799 16.437 10.503 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.823 17.964 10.412 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.978 15.859 9.715 1.00 0.00 C ATOM 0 H VAL A 27 4.290 14.057 11.404 1.00 0.00 H new ATOM 0 HA VAL A 27 5.760 16.493 12.457 1.00 0.00 H new ATOM 0 HB VAL A 27 3.864 16.063 10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.742 18.268 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.986 18.375 10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.759 18.339 10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.899 16.159 8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.913 16.235 10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.962 14.771 9.783 1.00 0.00 H new ATOM 347 N ASN A 28 3.811 16.890 13.945 1.00 0.00 N ATOM 348 CA ASN A 28 2.613 17.271 14.745 1.00 0.00 C ATOM 349 C ASN A 28 1.669 16.068 14.847 1.00 0.00 C ATOM 350 O ASN A 28 0.481 16.205 15.055 1.00 0.00 O ATOM 351 CB ASN A 28 1.966 18.415 13.958 1.00 0.00 C ATOM 352 CG ASN A 28 0.563 18.690 14.501 1.00 0.00 C ATOM 353 OD1 ASN A 28 -0.476 18.327 13.801 1.00 0.00 O flip ATOM 354 ND2 ASN A 28 0.410 19.237 15.576 1.00 0.00 N flip ATOM 0 H ASN A 28 4.709 17.036 14.406 1.00 0.00 H new ATOM 0 HA ASN A 28 2.855 17.575 15.763 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.578 19.313 14.035 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.912 18.156 12.901 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.222 19.521 16.124 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.530 19.412 15.930 1.00 0.00 H new ATOM 361 N GLY A 29 2.200 14.885 14.696 1.00 0.00 N ATOM 362 CA GLY A 29 1.347 13.666 14.776 1.00 0.00 C ATOM 363 C GLY A 29 0.857 13.305 13.373 1.00 0.00 C ATOM 364 O GLY A 29 -0.266 12.879 13.187 1.00 0.00 O ATOM 0 H GLY A 29 3.189 14.710 14.520 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.914 12.838 15.201 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.498 13.844 15.437 1.00 0.00 H new ATOM 368 N PHE A 30 1.689 13.482 12.382 1.00 0.00 N ATOM 369 CA PHE A 30 1.266 13.161 10.990 1.00 0.00 C ATOM 370 C PHE A 30 2.454 12.720 10.139 1.00 0.00 C ATOM 371 O PHE A 30 3.592 13.038 10.421 1.00 0.00 O ATOM 372 CB PHE A 30 0.697 14.467 10.448 1.00 0.00 C ATOM 373 CG PHE A 30 -0.599 14.752 11.151 1.00 0.00 C ATOM 374 CD1 PHE A 30 -1.779 14.160 10.697 1.00 0.00 C ATOM 375 CD2 PHE A 30 -0.618 15.598 12.263 1.00 0.00 C ATOM 376 CE1 PHE A 30 -2.986 14.417 11.356 1.00 0.00 C ATOM 377 CE2 PHE A 30 -1.820 15.855 12.923 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.008 15.264 12.470 1.00 0.00 C ATOM 0 H PHE A 30 2.641 13.834 12.477 1.00 0.00 H new ATOM 0 HA PHE A 30 0.546 12.343 10.968 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.402 15.283 10.609 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.536 14.392 9.373 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.760 13.505 9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.298 16.053 12.611 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.901 13.962 11.005 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.835 16.509 13.782 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.939 15.462 12.980 1.00 0.00 H new ATOM 388 N LEU A 31 2.183 12.010 9.083 1.00 0.00 N ATOM 389 CA LEU A 31 3.278 11.562 8.181 1.00 0.00 C ATOM 390 C LEU A 31 2.847 11.768 6.734 1.00 0.00 C ATOM 391 O LEU A 31 1.747 11.425 6.347 1.00 0.00 O ATOM 392 CB LEU A 31 3.483 10.078 8.474 1.00 0.00 C ATOM 393 CG LEU A 31 4.077 9.915 9.871 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.648 8.568 10.457 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.604 9.973 9.779 1.00 0.00 C ATOM 0 H LEU A 31 1.246 11.719 8.804 1.00 0.00 H new ATOM 0 HA LEU A 31 4.200 12.121 8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.533 9.548 8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.147 9.637 7.731 1.00 0.00 H new ATOM 0 HG LEU A 31 3.719 10.717 10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.073 8.453 11.454 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.561 8.528 10.519 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.005 7.762 9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.033 9.857 10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.960 9.170 9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.907 10.934 9.363 1.00 0.00 H new ATOM 407 N SER A 32 3.698 12.335 5.936 1.00 0.00 N ATOM 408 CA SER A 32 3.330 12.575 4.514 1.00 0.00 C ATOM 409 C SER A 32 3.483 11.296 3.703 1.00 0.00 C ATOM 410 O SER A 32 4.414 10.539 3.888 1.00 0.00 O ATOM 411 CB SER A 32 4.298 13.647 4.015 1.00 0.00 C ATOM 412 OG SER A 32 5.297 13.879 4.998 1.00 0.00 O ATOM 0 H SER A 32 4.633 12.644 6.203 1.00 0.00 H new ATOM 0 HA SER A 32 2.292 12.892 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.760 13.328 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.758 14.570 3.805 1.00 0.00 H new ATOM 0 HG SER A 32 5.919 14.565 4.677 1.00 0.00 H new ATOM 418 N GLY A 33 2.578 11.053 2.800 1.00 0.00 N ATOM 419 CA GLY A 33 2.678 9.823 1.967 1.00 0.00 C ATOM 420 C GLY A 33 4.124 9.655 1.497 1.00 0.00 C ATOM 421 O GLY A 33 4.575 8.562 1.219 1.00 0.00 O ATOM 0 H GLY A 33 1.775 11.650 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.366 8.952 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.009 9.894 1.109 1.00 0.00 H new ATOM 425 N ASP A 34 4.859 10.733 1.411 1.00 0.00 N ATOM 426 CA ASP A 34 6.279 10.635 0.964 1.00 0.00 C ATOM 427 C ASP A 34 7.119 9.912 2.022 1.00 0.00 C ATOM 428 O ASP A 34 8.266 9.577 1.798 1.00 0.00 O ATOM 429 CB ASP A 34 6.740 12.082 0.813 1.00 0.00 C ATOM 430 CG ASP A 34 7.924 12.146 -0.153 1.00 0.00 C ATOM 431 OD1 ASP A 34 7.696 12.043 -1.347 1.00 0.00 O ATOM 432 OD2 ASP A 34 9.040 12.298 0.317 1.00 0.00 O ATOM 0 H ASP A 34 4.537 11.676 1.631 1.00 0.00 H new ATOM 0 HA ASP A 34 6.385 10.071 0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.921 12.698 0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.028 12.486 1.784 1.00 0.00 H new ATOM 437 N LYS A 35 6.553 9.671 3.172 1.00 0.00 N ATOM 438 CA LYS A 35 7.309 8.972 4.255 1.00 0.00 C ATOM 439 C LYS A 35 6.673 7.616 4.519 1.00 0.00 C ATOM 440 O LYS A 35 7.341 6.614 4.678 1.00 0.00 O ATOM 441 CB LYS A 35 7.170 9.862 5.493 1.00 0.00 C ATOM 442 CG LYS A 35 7.162 11.332 5.073 1.00 0.00 C ATOM 443 CD LYS A 35 7.071 12.225 6.313 1.00 0.00 C ATOM 444 CE LYS A 35 8.319 12.040 7.176 1.00 0.00 C ATOM 445 NZ LYS A 35 9.210 13.174 6.803 1.00 0.00 N ATOM 0 H LYS A 35 5.595 9.928 3.411 1.00 0.00 H new ATOM 0 HA LYS A 35 8.354 8.810 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.250 9.621 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.994 9.675 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.067 11.564 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.318 11.526 4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.975 13.269 6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.179 11.975 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.073 12.063 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.797 11.080 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.091 13.119 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.432 13.122 5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.730 14.074 7.007 1.00 0.00 H new ATOM 459 N VAL A 36 5.377 7.588 4.568 1.00 0.00 N ATOM 460 CA VAL A 36 4.664 6.310 4.819 1.00 0.00 C ATOM 461 C VAL A 36 4.647 5.457 3.554 1.00 0.00 C ATOM 462 O VAL A 36 4.910 4.272 3.589 1.00 0.00 O ATOM 463 CB VAL A 36 3.244 6.721 5.182 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.396 5.469 5.406 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.264 7.576 6.452 1.00 0.00 C ATOM 0 H VAL A 36 4.774 8.402 4.444 1.00 0.00 H new ATOM 0 HA VAL A 36 5.142 5.721 5.602 1.00 0.00 H new ATOM 0 HB VAL A 36 2.813 7.306 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.378 5.761 5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.381 4.872 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.824 4.880 6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.246 7.869 6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.694 7.000 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.866 8.468 6.280 1.00 0.00 H new ATOM 475 N LYS A 37 4.327 6.048 2.436 1.00 0.00 N ATOM 476 CA LYS A 37 4.276 5.258 1.174 1.00 0.00 C ATOM 477 C LYS A 37 5.516 4.365 1.040 1.00 0.00 C ATOM 478 O LYS A 37 5.388 3.183 0.785 1.00 0.00 O ATOM 479 CB LYS A 37 4.207 6.283 0.041 1.00 0.00 C ATOM 480 CG LYS A 37 3.798 5.577 -1.255 1.00 0.00 C ATOM 481 CD LYS A 37 4.418 6.299 -2.452 1.00 0.00 C ATOM 482 CE LYS A 37 3.850 5.717 -3.748 1.00 0.00 C ATOM 483 NZ LYS A 37 4.386 6.589 -4.830 1.00 0.00 N ATOM 0 H LYS A 37 4.100 7.038 2.342 1.00 0.00 H new ATOM 0 HA LYS A 37 3.415 4.590 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.488 7.065 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.175 6.768 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.127 4.538 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.712 5.566 -1.347 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.206 7.367 -2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.502 6.188 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.161 4.681 -3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.760 5.724 -3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.040 6.252 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.068 7.567 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.425 6.557 -4.819 1.00 0.00 H new ATOM 497 N PRO A 38 6.681 4.936 1.230 1.00 0.00 N ATOM 498 CA PRO A 38 7.923 4.131 1.138 1.00 0.00 C ATOM 499 C PRO A 38 7.971 3.159 2.314 1.00 0.00 C ATOM 500 O PRO A 38 8.420 2.038 2.197 1.00 0.00 O ATOM 501 CB PRO A 38 9.037 5.171 1.223 1.00 0.00 C ATOM 502 CG PRO A 38 8.421 6.332 1.931 1.00 0.00 C ATOM 503 CD PRO A 38 6.964 6.344 1.551 1.00 0.00 C ATOM 0 HA PRO A 38 8.001 3.531 0.231 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.897 4.785 1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.390 5.454 0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.539 6.235 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.905 7.264 1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.339 6.703 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.777 6.996 0.697 1.00 0.00 H new ATOM 511 N VAL A 39 7.476 3.587 3.440 1.00 0.00 N ATOM 512 CA VAL A 39 7.446 2.708 4.640 1.00 0.00 C ATOM 513 C VAL A 39 6.561 1.499 4.342 1.00 0.00 C ATOM 514 O VAL A 39 6.723 0.439 4.914 1.00 0.00 O ATOM 515 CB VAL A 39 6.843 3.590 5.740 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.117 2.736 6.784 1.00 0.00 C ATOM 517 CG2 VAL A 39 7.964 4.378 6.422 1.00 0.00 C ATOM 0 H VAL A 39 7.087 4.519 3.581 1.00 0.00 H new ATOM 0 HA VAL A 39 8.423 2.324 4.932 1.00 0.00 H new ATOM 0 HB VAL A 39 6.123 4.272 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.697 3.382 7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.315 2.177 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.822 2.040 7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.542 5.007 7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.681 3.684 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.468 5.004 5.686 1.00 0.00 H new ATOM 527 N LEU A 40 5.640 1.646 3.434 1.00 0.00 N ATOM 528 CA LEU A 40 4.763 0.502 3.082 1.00 0.00 C ATOM 529 C LEU A 40 5.471 -0.374 2.052 1.00 0.00 C ATOM 530 O LEU A 40 5.110 -1.513 1.834 1.00 0.00 O ATOM 531 CB LEU A 40 3.501 1.132 2.498 1.00 0.00 C ATOM 532 CG LEU A 40 2.816 1.980 3.570 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.397 2.323 3.119 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.765 1.201 4.888 1.00 0.00 C ATOM 0 H LEU A 40 5.458 2.509 2.921 1.00 0.00 H new ATOM 0 HA LEU A 40 4.525 -0.133 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.755 1.750 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.823 0.355 2.145 1.00 0.00 H new ATOM 0 HG LEU A 40 3.380 2.901 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.908 2.928 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.438 2.883 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.831 1.404 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.276 1.808 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.203 0.278 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.779 0.962 5.209 1.00 0.00 H new ATOM 546 N LEU A 41 6.498 0.145 1.435 1.00 0.00 N ATOM 547 CA LEU A 41 7.250 -0.664 0.441 1.00 0.00 C ATOM 548 C LEU A 41 8.132 -1.652 1.192 1.00 0.00 C ATOM 549 O LEU A 41 8.442 -2.724 0.712 1.00 0.00 O ATOM 550 CB LEU A 41 8.102 0.332 -0.341 1.00 0.00 C ATOM 551 CG LEU A 41 7.260 0.970 -1.444 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.929 2.264 -1.913 1.00 0.00 C ATOM 553 CD2 LEU A 41 7.148 -0.005 -2.619 1.00 0.00 C ATOM 0 H LEU A 41 6.846 1.093 1.578 1.00 0.00 H new ATOM 0 HA LEU A 41 6.600 -1.228 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.486 1.102 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.965 -0.174 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 41 6.265 1.197 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.328 2.720 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.012 2.955 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.923 2.040 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.548 0.445 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.144 -0.229 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.673 -0.927 -2.283 1.00 0.00 H new ATOM 565 N ASN A 42 8.530 -1.296 2.385 1.00 0.00 N ATOM 566 CA ASN A 42 9.383 -2.216 3.183 1.00 0.00 C ATOM 567 C ASN A 42 8.604 -3.496 3.490 1.00 0.00 C ATOM 568 O ASN A 42 9.164 -4.503 3.875 1.00 0.00 O ATOM 569 CB ASN A 42 9.699 -1.455 4.471 1.00 0.00 C ATOM 570 CG ASN A 42 10.423 -0.154 4.129 1.00 0.00 C ATOM 571 OD1 ASN A 42 9.719 0.918 3.900 1.00 0.00 O flip ATOM 572 ND2 ASN A 42 11.635 -0.113 4.066 1.00 0.00 N flip ATOM 0 H ASN A 42 8.301 -0.411 2.837 1.00 0.00 H new ATOM 0 HA ASN A 42 10.293 -2.506 2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.779 -1.240 5.014 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.319 -2.068 5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.184 -0.954 4.246 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.104 0.762 3.833 1.00 0.00 H new ATOM 579 N SER A 43 7.310 -3.459 3.315 1.00 0.00 N ATOM 580 CA SER A 43 6.481 -4.668 3.586 1.00 0.00 C ATOM 581 C SER A 43 6.704 -5.717 2.492 1.00 0.00 C ATOM 582 O SER A 43 6.142 -6.794 2.529 1.00 0.00 O ATOM 583 CB SER A 43 5.040 -4.167 3.559 1.00 0.00 C ATOM 584 OG SER A 43 4.235 -5.089 2.836 1.00 0.00 O ATOM 0 H SER A 43 6.791 -2.641 2.995 1.00 0.00 H new ATOM 0 HA SER A 43 6.733 -5.140 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.662 -4.056 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.994 -3.183 3.093 1.00 0.00 H new ATOM 0 HG SER A 43 4.647 -5.977 2.867 1.00 0.00 H new ATOM 590 N LYS A 44 7.517 -5.408 1.516 1.00 0.00 N ATOM 591 CA LYS A 44 7.772 -6.383 0.415 1.00 0.00 C ATOM 592 C LYS A 44 6.510 -6.551 -0.436 1.00 0.00 C ATOM 593 O LYS A 44 6.367 -7.507 -1.171 1.00 0.00 O ATOM 594 CB LYS A 44 8.128 -7.695 1.116 1.00 0.00 C ATOM 595 CG LYS A 44 9.351 -8.322 0.443 1.00 0.00 C ATOM 596 CD LYS A 44 9.858 -9.488 1.293 1.00 0.00 C ATOM 597 CE LYS A 44 8.723 -10.490 1.510 1.00 0.00 C ATOM 598 NZ LYS A 44 9.384 -11.704 2.062 1.00 0.00 N ATOM 0 H LYS A 44 8.016 -4.522 1.434 1.00 0.00 H new ATOM 0 HA LYS A 44 8.568 -6.055 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.335 -7.511 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.284 -8.383 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.090 -8.672 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.137 -7.576 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.698 -9.975 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.223 -9.121 2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.977 -10.098 2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.207 -10.711 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.669 -12.439 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.084 -12.058 1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.861 -11.464 2.955 1.00 0.00 H new ATOM 612 N LEU A 45 5.596 -5.625 -0.340 1.00 0.00 N ATOM 613 CA LEU A 45 4.338 -5.721 -1.138 1.00 0.00 C ATOM 614 C LEU A 45 4.422 -4.825 -2.374 1.00 0.00 C ATOM 615 O LEU A 45 5.234 -3.924 -2.436 1.00 0.00 O ATOM 616 CB LEU A 45 3.241 -5.213 -0.205 1.00 0.00 C ATOM 617 CG LEU A 45 2.754 -6.349 0.691 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.711 -5.802 1.667 1.00 0.00 C ATOM 619 CD2 LEU A 45 2.121 -7.448 -0.171 1.00 0.00 C ATOM 0 H LEU A 45 5.665 -4.802 0.259 1.00 0.00 H new ATOM 0 HA LEU A 45 4.153 -6.737 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.621 -4.394 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.410 -4.817 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 45 3.595 -6.766 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.358 -6.607 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.160 -5.019 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.871 -5.389 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.774 -8.258 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.277 -7.036 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.862 -7.832 -0.872 1.00 0.00 H new ATOM 631 N PRO A 46 3.562 -5.099 -3.313 1.00 0.00 N ATOM 632 CA PRO A 46 3.521 -4.303 -4.558 1.00 0.00 C ATOM 633 C PRO A 46 2.891 -2.930 -4.291 1.00 0.00 C ATOM 634 O PRO A 46 2.287 -2.700 -3.262 1.00 0.00 O ATOM 635 CB PRO A 46 2.650 -5.139 -5.490 1.00 0.00 C ATOM 636 CG PRO A 46 1.798 -5.976 -4.594 1.00 0.00 C ATOM 637 CD PRO A 46 2.559 -6.170 -3.306 1.00 0.00 C ATOM 0 HA PRO A 46 4.508 -4.105 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.039 -4.504 -6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.260 -5.761 -6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.842 -5.487 -4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.579 -6.937 -5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.901 -6.094 -2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.027 -7.153 -3.265 1.00 0.00 H new ATOM 645 N VAL A 47 3.034 -2.020 -5.212 1.00 0.00 N ATOM 646 CA VAL A 47 2.457 -0.659 -5.025 1.00 0.00 C ATOM 647 C VAL A 47 0.931 -0.729 -5.017 1.00 0.00 C ATOM 648 O VAL A 47 0.259 0.240 -4.721 1.00 0.00 O ATOM 649 CB VAL A 47 2.958 0.152 -6.221 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.106 1.414 -6.382 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.416 0.550 -5.988 1.00 0.00 C ATOM 0 H VAL A 47 3.529 -2.161 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 47 2.755 -0.209 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 47 2.882 -0.452 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.466 1.989 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.066 1.132 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.179 2.020 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.776 1.128 -6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.488 1.153 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.025 -0.347 -5.876 1.00 0.00 H new ATOM 661 N ASP A 48 0.374 -1.869 -5.314 1.00 0.00 N ATOM 662 CA ASP A 48 -1.104 -1.990 -5.293 1.00 0.00 C ATOM 663 C ASP A 48 -1.547 -2.046 -3.844 1.00 0.00 C ATOM 664 O ASP A 48 -2.515 -1.429 -3.447 1.00 0.00 O ATOM 665 CB ASP A 48 -1.419 -3.299 -5.999 1.00 0.00 C ATOM 666 CG ASP A 48 -1.918 -3.012 -7.416 1.00 0.00 C ATOM 667 OD1 ASP A 48 -1.094 -2.709 -8.263 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.115 -3.103 -7.630 1.00 0.00 O ATOM 0 H ASP A 48 0.879 -2.718 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.611 -1.157 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.529 -3.927 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.175 -3.851 -5.441 1.00 0.00 H new ATOM 673 N ILE A 49 -0.814 -2.764 -3.042 1.00 0.00 N ATOM 674 CA ILE A 49 -1.161 -2.839 -1.604 1.00 0.00 C ATOM 675 C ILE A 49 -0.989 -1.450 -1.011 1.00 0.00 C ATOM 676 O ILE A 49 -1.821 -0.954 -0.277 1.00 0.00 O ATOM 677 CB ILE A 49 -0.153 -3.802 -0.980 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.082 -5.091 -1.795 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.583 -4.125 0.449 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.490 -5.630 -2.039 1.00 0.00 C ATOM 0 H ILE A 49 0.008 -3.300 -3.322 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.182 -3.178 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 49 0.831 -3.334 -0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.415 -4.903 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.515 -5.834 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.134 -4.812 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.620 -3.206 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.570 -4.587 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.432 -6.550 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.972 -5.835 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.073 -4.890 -2.587 1.00 0.00 H new ATOM 692 N LEU A 50 0.096 -0.819 -1.351 1.00 0.00 N ATOM 693 CA LEU A 50 0.362 0.550 -0.846 1.00 0.00 C ATOM 694 C LEU A 50 -0.680 1.512 -1.418 1.00 0.00 C ATOM 695 O LEU A 50 -0.886 2.596 -0.909 1.00 0.00 O ATOM 696 CB LEU A 50 1.767 0.894 -1.359 1.00 0.00 C ATOM 697 CG LEU A 50 2.716 -0.298 -1.164 1.00 0.00 C ATOM 698 CD1 LEU A 50 4.163 0.199 -1.185 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.441 -0.985 0.178 1.00 0.00 C ATOM 0 H LEU A 50 0.817 -1.199 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 50 0.305 0.622 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.720 1.161 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.152 1.764 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 50 2.553 -1.014 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.839 -0.644 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.370 0.677 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.312 0.919 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.121 -1.828 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.594 -0.273 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.412 -1.344 0.199 1.00 0.00 H new ATOM 711 N GLY A 51 -1.352 1.116 -2.466 1.00 0.00 N ATOM 712 CA GLY A 51 -2.393 2.002 -3.057 1.00 0.00 C ATOM 713 C GLY A 51 -3.719 1.734 -2.351 1.00 0.00 C ATOM 714 O GLY A 51 -4.550 2.610 -2.200 1.00 0.00 O ATOM 0 H GLY A 51 -1.225 0.220 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.108 3.048 -2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.489 1.812 -4.126 1.00 0.00 H new ATOM 718 N ARG A 52 -3.916 0.525 -1.901 1.00 0.00 N ATOM 719 CA ARG A 52 -5.175 0.186 -1.192 1.00 0.00 C ATOM 720 C ARG A 52 -4.979 0.372 0.306 1.00 0.00 C ATOM 721 O ARG A 52 -5.693 1.113 0.951 1.00 0.00 O ATOM 722 CB ARG A 52 -5.432 -1.282 -1.516 1.00 0.00 C ATOM 723 CG ARG A 52 -6.817 -1.427 -2.142 1.00 0.00 C ATOM 724 CD ARG A 52 -7.094 -2.903 -2.437 1.00 0.00 C ATOM 725 NE ARG A 52 -7.112 -2.999 -3.922 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.403 -3.912 -4.527 1.00 0.00 C ATOM 727 NH1 ARG A 52 -6.260 -5.091 -3.987 1.00 0.00 N ATOM 728 NH2 ARG A 52 -5.836 -3.645 -5.673 1.00 0.00 N ATOM 0 H ARG A 52 -3.253 -0.244 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.010 0.818 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.670 -1.654 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.366 -1.883 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.576 -1.032 -1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.874 -0.845 -3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.323 -3.543 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.045 -3.220 -2.009 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.679 -2.350 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.703 -5.299 -3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.706 -5.805 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.948 -2.723 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.282 -4.359 -6.146 1.00 0.00 H new ATOM 742 N VAL A 53 -4.005 -0.288 0.864 1.00 0.00 N ATOM 743 CA VAL A 53 -3.764 -0.133 2.317 1.00 0.00 C ATOM 744 C VAL A 53 -3.791 1.351 2.671 1.00 0.00 C ATOM 745 O VAL A 53 -4.328 1.746 3.686 1.00 0.00 O ATOM 746 CB VAL A 53 -2.380 -0.736 2.566 1.00 0.00 C ATOM 747 CG1 VAL A 53 -1.890 -0.338 3.961 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.474 -2.259 2.479 1.00 0.00 C ATOM 0 H VAL A 53 -3.371 -0.923 0.378 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.519 -0.627 2.928 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.680 -0.365 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.904 -0.768 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.829 0.748 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.587 -0.710 4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.491 -2.695 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.173 -2.624 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.825 -2.546 1.488 1.00 0.00 H new ATOM 758 N TRP A 54 -3.229 2.179 1.830 1.00 0.00 N ATOM 759 CA TRP A 54 -3.239 3.639 2.115 1.00 0.00 C ATOM 760 C TRP A 54 -4.671 4.163 2.079 1.00 0.00 C ATOM 761 O TRP A 54 -5.181 4.674 3.054 1.00 0.00 O ATOM 762 CB TRP A 54 -2.415 4.290 1.008 1.00 0.00 C ATOM 763 CG TRP A 54 -2.554 5.770 1.133 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.599 6.492 0.668 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.653 6.717 1.773 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.398 7.823 0.983 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.210 8.013 1.661 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.419 6.580 2.433 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.564 9.133 2.186 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.234 7.706 2.961 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.338 8.979 2.838 1.00 0.00 C ATOM 0 H TRP A 54 -2.766 1.907 0.963 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.828 3.860 3.100 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.368 3.998 1.091 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.762 3.957 0.030 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.451 6.094 0.137 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.047 8.572 0.744 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.030 5.603 2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.009 10.112 2.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.182 7.590 3.465 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.168 9.841 3.247 1.00 0.00 H new ATOM 782 N GLU A 55 -5.329 4.036 0.963 1.00 0.00 N ATOM 783 CA GLU A 55 -6.736 4.523 0.873 1.00 0.00 C ATOM 784 C GLU A 55 -7.513 4.100 2.123 1.00 0.00 C ATOM 785 O GLU A 55 -8.094 4.914 2.813 1.00 0.00 O ATOM 786 CB GLU A 55 -7.312 3.849 -0.372 1.00 0.00 C ATOM 787 CG GLU A 55 -6.570 4.350 -1.612 1.00 0.00 C ATOM 788 CD GLU A 55 -7.352 5.503 -2.246 1.00 0.00 C ATOM 789 OE1 GLU A 55 -7.212 6.618 -1.772 1.00 0.00 O ATOM 790 OE2 GLU A 55 -8.076 5.249 -3.195 1.00 0.00 O ATOM 0 H GLU A 55 -4.957 3.618 0.110 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.797 5.609 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.216 2.766 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.376 4.069 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.568 4.683 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.452 3.539 -2.330 1.00 0.00 H new ATOM 797 N LEU A 56 -7.517 2.831 2.421 1.00 0.00 N ATOM 798 CA LEU A 56 -8.243 2.346 3.631 1.00 0.00 C ATOM 799 C LEU A 56 -7.509 2.815 4.897 1.00 0.00 C ATOM 800 O LEU A 56 -8.005 2.693 6.000 1.00 0.00 O ATOM 801 CB LEU A 56 -8.214 0.819 3.523 1.00 0.00 C ATOM 802 CG LEU A 56 -8.802 0.389 2.174 1.00 0.00 C ATOM 803 CD1 LEU A 56 -7.939 -0.720 1.575 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.229 -0.130 2.378 1.00 0.00 C ATOM 0 H LEU A 56 -7.048 2.106 1.878 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.263 2.727 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.190 0.457 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.785 0.375 4.338 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.821 1.243 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.356 -1.027 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.924 -0.352 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.921 -1.573 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.646 -0.435 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.212 -0.984 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.846 0.660 2.807 1.00 0.00 H new ATOM 816 N SER A 57 -6.325 3.350 4.736 1.00 0.00 N ATOM 817 CA SER A 57 -5.536 3.833 5.911 1.00 0.00 C ATOM 818 C SER A 57 -5.646 5.353 6.055 1.00 0.00 C ATOM 819 O SER A 57 -5.609 5.889 7.144 1.00 0.00 O ATOM 820 CB SER A 57 -4.092 3.459 5.599 1.00 0.00 C ATOM 821 OG SER A 57 -3.226 4.296 6.353 1.00 0.00 O ATOM 0 H SER A 57 -5.867 3.474 3.833 1.00 0.00 H new ATOM 0 HA SER A 57 -5.897 3.393 6.840 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.912 2.412 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.895 3.575 4.533 1.00 0.00 H new ATOM 0 HG SER A 57 -2.393 4.438 5.856 1.00 0.00 H new ATOM 827 N ASP A 58 -5.763 6.051 4.960 1.00 0.00 N ATOM 828 CA ASP A 58 -5.855 7.535 5.024 1.00 0.00 C ATOM 829 C ASP A 58 -7.272 7.959 5.384 1.00 0.00 C ATOM 830 O ASP A 58 -8.035 8.394 4.549 1.00 0.00 O ATOM 831 CB ASP A 58 -5.485 8.020 3.622 1.00 0.00 C ATOM 832 CG ASP A 58 -4.990 9.465 3.694 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.985 10.015 4.784 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.623 9.997 2.660 1.00 0.00 O ATOM 0 H ASP A 58 -5.799 5.655 4.020 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.197 7.956 5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.711 7.380 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.351 7.954 2.963 1.00 0.00 H new ATOM 839 N ILE A 59 -7.627 7.832 6.626 1.00 0.00 N ATOM 840 CA ILE A 59 -8.993 8.223 7.048 1.00 0.00 C ATOM 841 C ILE A 59 -9.351 9.582 6.450 1.00 0.00 C ATOM 842 O ILE A 59 -10.494 9.858 6.144 1.00 0.00 O ATOM 843 CB ILE A 59 -8.928 8.315 8.573 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.608 6.939 9.162 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.276 8.797 9.108 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.742 5.968 8.840 1.00 0.00 C ATOM 0 H ILE A 59 -7.028 7.473 7.370 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.749 7.512 6.715 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.146 9.018 8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.669 6.566 8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.477 7.016 10.241 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.233 8.864 10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.502 9.779 8.693 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -11.055 8.092 8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.513 4.989 9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.672 6.339 9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.852 5.882 7.759 1.00 0.00 H new ATOM 858 N ASP A 60 -8.379 10.438 6.285 1.00 0.00 N ATOM 859 CA ASP A 60 -8.663 11.785 5.712 1.00 0.00 C ATOM 860 C ASP A 60 -8.398 11.794 4.203 1.00 0.00 C ATOM 861 O ASP A 60 -8.909 12.631 3.484 1.00 0.00 O ATOM 862 CB ASP A 60 -7.701 12.730 6.430 1.00 0.00 C ATOM 863 CG ASP A 60 -7.809 12.518 7.941 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.880 12.145 8.392 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.819 12.731 8.622 1.00 0.00 O ATOM 0 H ASP A 60 -7.402 10.263 6.522 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.704 12.077 5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.679 12.546 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.936 13.764 6.180 1.00 0.00 H new ATOM 870 N HIS A 61 -7.600 10.882 3.717 1.00 0.00 N ATOM 871 CA HIS A 61 -7.305 10.855 2.256 1.00 0.00 C ATOM 872 C HIS A 61 -6.714 12.199 1.828 1.00 0.00 C ATOM 873 O HIS A 61 -7.139 12.799 0.861 1.00 0.00 O ATOM 874 CB HIS A 61 -8.656 10.617 1.576 1.00 0.00 C ATOM 875 CG HIS A 61 -9.224 9.299 2.024 1.00 0.00 C ATOM 876 ND1 HIS A 61 -10.044 8.961 3.073 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 -8.962 8.115 1.353 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 -10.288 7.590 3.055 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 -9.612 7.129 2.000 1.00 0.00 N flip ATOM 0 H HIS A 61 -7.141 10.156 4.267 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.583 10.083 1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.346 11.424 1.823 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.535 10.622 0.493 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.348 8.003 0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.894 7.022 3.746 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -9.591 6.149 1.718 1.00 0.00 H new ATOM 887 N ASP A 62 -5.741 12.679 2.552 1.00 0.00 N ATOM 888 CA ASP A 62 -5.124 13.989 2.201 1.00 0.00 C ATOM 889 C ASP A 62 -3.642 13.805 1.853 1.00 0.00 C ATOM 890 O ASP A 62 -2.921 14.761 1.650 1.00 0.00 O ATOM 891 CB ASP A 62 -5.291 14.845 3.461 1.00 0.00 C ATOM 892 CG ASP A 62 -4.227 14.468 4.495 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.454 13.523 5.232 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.204 15.132 4.533 1.00 0.00 O ATOM 0 H ASP A 62 -5.346 12.220 3.373 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.589 14.451 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.205 15.901 3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.286 14.698 3.881 1.00 0.00 H new ATOM 899 N GLY A 63 -3.186 12.585 1.781 1.00 0.00 N ATOM 900 CA GLY A 63 -1.753 12.343 1.446 1.00 0.00 C ATOM 901 C GLY A 63 -0.943 12.182 2.735 1.00 0.00 C ATOM 902 O GLY A 63 0.270 12.145 2.714 1.00 0.00 O ATOM 0 H GLY A 63 -3.743 11.745 1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.659 11.448 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.361 13.174 0.860 1.00 0.00 H new ATOM 906 N MET A 64 -1.604 12.097 3.858 1.00 0.00 N ATOM 907 CA MET A 64 -0.865 11.950 5.145 1.00 0.00 C ATOM 908 C MET A 64 -1.601 10.995 6.092 1.00 0.00 C ATOM 909 O MET A 64 -2.780 10.741 5.944 1.00 0.00 O ATOM 910 CB MET A 64 -0.828 13.358 5.730 1.00 0.00 C ATOM 911 CG MET A 64 0.519 13.987 5.401 1.00 0.00 C ATOM 912 SD MET A 64 0.572 15.695 5.986 1.00 0.00 S ATOM 913 CE MET A 64 2.372 15.798 6.130 1.00 0.00 C ATOM 0 H MET A 64 -2.620 12.123 3.940 1.00 0.00 H new ATOM 0 HA MET A 64 0.131 11.532 5.000 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.637 13.960 5.317 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.975 13.323 6.809 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.320 13.411 5.865 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.688 13.959 4.325 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.634 16.508 6.915 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.774 14.816 6.380 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.794 16.133 5.182 1.00 0.00 H new ATOM 923 N LEU A 65 -0.909 10.470 7.069 1.00 0.00 N ATOM 924 CA LEU A 65 -1.557 9.536 8.037 1.00 0.00 C ATOM 925 C LEU A 65 -1.242 9.968 9.472 1.00 0.00 C ATOM 926 O LEU A 65 -0.094 10.030 9.865 1.00 0.00 O ATOM 927 CB LEU A 65 -0.921 8.170 7.766 1.00 0.00 C ATOM 928 CG LEU A 65 -1.259 7.707 6.351 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.285 6.598 5.938 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.689 7.167 6.322 1.00 0.00 C ATOM 0 H LEU A 65 0.081 10.649 7.239 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.641 9.520 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.160 8.233 7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.282 7.441 8.492 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.174 8.545 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.522 6.263 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.735 6.981 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.375 5.759 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.932 6.836 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.774 6.326 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.381 7.954 6.623 1.00 0.00 H new ATOM 942 N ASP A 66 -2.236 10.260 10.262 1.00 0.00 N ATOM 943 CA ASP A 66 -1.955 10.674 11.667 1.00 0.00 C ATOM 944 C ASP A 66 -1.667 9.441 12.530 1.00 0.00 C ATOM 945 O ASP A 66 -1.911 8.319 12.130 1.00 0.00 O ATOM 946 CB ASP A 66 -3.219 11.397 12.143 1.00 0.00 C ATOM 947 CG ASP A 66 -4.348 10.387 12.355 1.00 0.00 C ATOM 948 OD1 ASP A 66 -4.157 9.466 13.132 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.388 10.555 11.740 1.00 0.00 O ATOM 0 H ASP A 66 -3.222 10.231 10.001 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.080 11.321 11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.016 11.929 13.072 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.520 12.143 11.408 1.00 0.00 H new ATOM 954 N ARG A 67 -1.139 9.645 13.706 1.00 0.00 N ATOM 955 CA ARG A 67 -0.815 8.499 14.609 1.00 0.00 C ATOM 956 C ARG A 67 -1.865 7.388 14.509 1.00 0.00 C ATOM 957 O ARG A 67 -1.538 6.221 14.402 1.00 0.00 O ATOM 958 CB ARG A 67 -0.815 9.102 16.015 1.00 0.00 C ATOM 959 CG ARG A 67 -2.122 9.866 16.242 1.00 0.00 C ATOM 960 CD ARG A 67 -1.860 11.082 17.135 1.00 0.00 C ATOM 961 NE ARG A 67 -3.212 11.577 17.517 1.00 0.00 N ATOM 962 CZ ARG A 67 -3.349 12.402 18.520 1.00 0.00 C ATOM 963 NH1 ARG A 67 -3.239 11.965 19.745 1.00 0.00 N ATOM 964 NH2 ARG A 67 -3.597 13.663 18.297 1.00 0.00 N ATOM 0 H ARG A 67 -0.915 10.565 14.085 1.00 0.00 H new ATOM 0 HA ARG A 67 0.137 8.039 14.346 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.708 8.314 16.760 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.036 9.772 16.135 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.538 10.187 15.287 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.860 9.213 16.708 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.277 10.808 18.014 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.295 11.848 16.604 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.033 11.271 16.994 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.046 10.979 19.919 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.346 12.610 20.528 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.684 14.004 17.340 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.704 14.308 19.080 1.00 0.00 H new ATOM 978 N ASP A 68 -3.118 7.734 14.554 1.00 0.00 N ATOM 979 CA ASP A 68 -4.187 6.694 14.475 1.00 0.00 C ATOM 980 C ASP A 68 -4.409 6.268 13.024 1.00 0.00 C ATOM 981 O ASP A 68 -4.710 5.126 12.738 1.00 0.00 O ATOM 982 CB ASP A 68 -5.438 7.374 15.031 1.00 0.00 C ATOM 983 CG ASP A 68 -5.234 7.687 16.513 1.00 0.00 C ATOM 984 OD1 ASP A 68 -4.952 6.764 17.260 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.363 8.845 16.878 1.00 0.00 O ATOM 0 H ASP A 68 -3.453 8.693 14.642 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.928 5.793 15.031 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.641 8.292 14.479 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.305 6.726 14.902 1.00 0.00 H new ATOM 990 N GLU A 69 -4.259 7.178 12.107 1.00 0.00 N ATOM 991 CA GLU A 69 -4.457 6.833 10.676 1.00 0.00 C ATOM 992 C GLU A 69 -3.352 5.890 10.215 1.00 0.00 C ATOM 993 O GLU A 69 -3.604 4.848 9.644 1.00 0.00 O ATOM 994 CB GLU A 69 -4.357 8.159 9.934 1.00 0.00 C ATOM 995 CG GLU A 69 -5.161 8.063 8.642 1.00 0.00 C ATOM 996 CD GLU A 69 -5.591 9.463 8.200 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.485 10.376 9.002 1.00 0.00 O ATOM 998 OE2 GLU A 69 -6.017 9.599 7.065 1.00 0.00 O ATOM 0 H GLU A 69 -4.007 8.150 12.288 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.409 6.334 10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.738 8.969 10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.315 8.390 9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.561 7.593 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.038 7.433 8.793 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.128 6.249 10.469 1.00 0.00 N ATOM 1006 CA PHE A 70 -1.002 5.374 10.059 1.00 0.00 C ATOM 1007 C PHE A 70 -1.200 3.990 10.664 1.00 0.00 C ATOM 1008 O PHE A 70 -0.753 2.999 10.132 1.00 0.00 O ATOM 1009 CB PHE A 70 0.249 6.037 10.637 1.00 0.00 C ATOM 1010 CG PHE A 70 1.475 5.327 10.121 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.003 5.662 8.870 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.081 4.328 10.892 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.137 4.998 8.390 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.215 3.665 10.412 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.742 4.001 9.159 1.00 0.00 C ATOM 0 H PHE A 70 -1.859 7.111 10.943 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.929 5.256 8.978 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.279 7.090 10.356 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.224 5.999 11.726 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.536 6.433 8.275 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.673 4.069 11.858 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.545 5.256 7.424 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.684 2.895 11.007 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.617 3.489 8.787 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.877 3.925 11.776 1.00 0.00 N ATOM 1026 CA ALA A 71 -2.116 2.607 12.431 1.00 0.00 C ATOM 1027 C ALA A 71 -2.943 1.709 11.516 1.00 0.00 C ATOM 1028 O ALA A 71 -2.628 0.552 11.304 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.896 2.935 13.702 1.00 0.00 C ATOM 0 H ALA A 71 -2.276 4.729 12.261 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.188 2.077 12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.112 2.014 14.244 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.302 3.596 14.333 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.831 3.429 13.438 1.00 0.00 H new ATOM 1035 N VAL A 72 -4.000 2.236 10.972 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.854 1.420 10.069 1.00 0.00 C ATOM 1037 C VAL A 72 -4.029 0.928 8.876 1.00 0.00 C ATOM 1038 O VAL A 72 -4.347 -0.067 8.252 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.963 2.370 9.606 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.889 1.644 8.627 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.771 2.841 10.819 1.00 0.00 C ATOM 0 H VAL A 72 -4.310 3.197 11.113 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.259 0.537 10.563 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.516 3.231 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.677 2.323 8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.315 1.311 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.336 0.781 9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.560 3.517 10.490 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.215 1.979 11.317 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.113 3.362 11.514 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.973 1.626 8.548 1.00 0.00 N ATOM 1052 CA ALA A 73 -2.132 1.208 7.385 1.00 0.00 C ATOM 1053 C ALA A 73 -1.043 0.220 7.804 1.00 0.00 C ATOM 1054 O ALA A 73 -0.339 -0.312 6.973 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.500 2.500 6.877 1.00 0.00 C ATOM 0 H ALA A 73 -2.656 2.465 9.033 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.727 0.701 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.864 2.281 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.284 3.196 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.900 2.947 7.669 1.00 0.00 H new ATOM 1061 N MET A 74 -0.879 -0.039 9.069 1.00 0.00 N ATOM 1062 CA MET A 74 0.188 -1.002 9.467 1.00 0.00 C ATOM 1063 C MET A 74 -0.368 -2.418 9.513 1.00 0.00 C ATOM 1064 O MET A 74 0.253 -3.349 9.042 1.00 0.00 O ATOM 1065 CB MET A 74 0.675 -0.559 10.851 1.00 0.00 C ATOM 1066 CG MET A 74 0.943 0.958 10.897 1.00 0.00 C ATOM 1067 SD MET A 74 1.416 1.605 9.262 1.00 0.00 S ATOM 1068 CE MET A 74 2.799 0.485 8.948 1.00 0.00 C ATOM 0 H MET A 74 -1.423 0.363 9.832 1.00 0.00 H new ATOM 0 HA MET A 74 1.009 -1.007 8.750 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.071 -0.821 11.601 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.587 -1.099 11.107 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.051 1.475 11.249 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.736 1.166 11.615 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.663 1.059 8.612 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.052 -0.047 9.865 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.518 -0.233 8.178 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.537 -2.596 10.050 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.111 -3.964 10.085 1.00 0.00 C ATOM 1080 C PHE A 75 -2.629 -4.304 8.688 1.00 0.00 C ATOM 1081 O PHE A 75 -2.745 -5.454 8.314 1.00 0.00 O ATOM 1082 CB PHE A 75 -3.236 -3.918 11.129 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.525 -3.460 10.493 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -5.302 -4.363 9.761 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.941 -2.133 10.635 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.497 -3.939 9.171 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -6.134 -1.709 10.046 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.914 -2.611 9.313 1.00 0.00 C ATOM 0 H PHE A 75 -2.115 -1.863 10.462 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.388 -4.733 10.357 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.372 -4.905 11.571 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.962 -3.242 11.939 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.979 -5.388 9.651 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.340 -1.436 11.200 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.098 -4.636 8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.455 -0.684 10.156 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.837 -2.282 8.858 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.911 -3.298 7.903 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.387 -3.547 6.517 1.00 0.00 C ATOM 1100 C LEU A 76 -2.205 -4.015 5.671 1.00 0.00 C ATOM 1101 O LEU A 76 -2.356 -4.753 4.718 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.911 -2.198 6.023 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.371 -2.035 6.443 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.875 -0.655 6.016 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -6.218 -3.116 5.769 1.00 0.00 C ATOM 0 H LEU A 76 -2.831 -2.315 8.165 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.161 -4.312 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.310 -1.388 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.824 -2.137 4.938 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.450 -2.132 7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.917 -0.539 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.272 0.117 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.796 -0.558 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.260 -3.001 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.138 -3.018 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.860 -4.100 6.072 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.024 -3.593 6.032 1.00 0.00 N ATOM 1118 CA VAL A 77 0.189 -4.007 5.284 1.00 0.00 C ATOM 1119 C VAL A 77 0.780 -5.262 5.923 1.00 0.00 C ATOM 1120 O VAL A 77 0.950 -6.273 5.276 1.00 0.00 O ATOM 1121 CB VAL A 77 1.146 -2.817 5.411 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.551 -3.229 4.969 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.649 -1.675 4.517 1.00 0.00 C ATOM 0 H VAL A 77 -0.850 -2.972 6.822 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.012 -4.250 4.241 1.00 0.00 H new ATOM 0 HB VAL A 77 1.179 -2.489 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.226 -2.378 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.906 -4.044 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.524 -3.559 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.326 -0.825 4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.618 -2.011 3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.351 -1.376 4.831 1.00 0.00 H new ATOM 1133 N TYR A 78 1.089 -5.205 7.191 1.00 0.00 N ATOM 1134 CA TYR A 78 1.672 -6.397 7.867 1.00 0.00 C ATOM 1135 C TYR A 78 0.790 -7.629 7.653 1.00 0.00 C ATOM 1136 O TYR A 78 1.228 -8.751 7.816 1.00 0.00 O ATOM 1137 CB TYR A 78 1.734 -6.033 9.349 1.00 0.00 C ATOM 1138 CG TYR A 78 3.146 -5.645 9.712 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.199 -6.535 9.471 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.403 -4.395 10.288 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.510 -6.176 9.806 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.715 -4.037 10.625 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.769 -4.927 10.384 1.00 0.00 C ATOM 1144 OH TYR A 78 7.060 -4.572 10.716 1.00 0.00 O ATOM 0 H TYR A 78 0.963 -4.386 7.786 1.00 0.00 H new ATOM 0 HA TYR A 78 2.655 -6.645 7.468 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.053 -5.209 9.561 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.410 -6.878 9.956 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.000 -7.499 9.026 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.591 -3.707 10.472 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.322 -6.863 9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.914 -3.074 11.071 1.00 0.00 H new ATOM 0 HH TYR A 78 7.062 -3.673 11.105 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.445 -7.433 7.290 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.344 -8.599 7.069 1.00 0.00 C ATOM 1156 C CYS A 79 -1.189 -9.113 5.638 1.00 0.00 C ATOM 1157 O CYS A 79 -1.570 -10.222 5.321 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.757 -8.063 7.300 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.121 -8.065 9.074 1.00 0.00 S ATOM 0 H CYS A 79 -0.871 -6.519 7.137 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.115 -9.432 7.734 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.844 -7.052 6.901 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.482 -8.679 6.768 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.254 -6.841 9.491 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.621 -8.320 4.771 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.437 -8.773 3.366 1.00 0.00 C ATOM 1167 C ALA A 80 0.864 -9.564 3.250 1.00 0.00 C ATOM 1168 O ALA A 80 1.116 -10.227 2.264 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.372 -7.495 2.534 1.00 0.00 C ATOM 0 H ALA A 80 -0.278 -7.381 4.975 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.243 -9.425 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.237 -7.751 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.299 -6.935 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.467 -6.885 2.869 1.00 0.00 H new ATOM 1175 N LEU A 81 1.685 -9.513 4.262 1.00 0.00 N ATOM 1176 CA LEU A 81 2.959 -10.279 4.216 1.00 0.00 C ATOM 1177 C LEU A 81 2.715 -11.689 4.735 1.00 0.00 C ATOM 1178 O LEU A 81 3.179 -12.664 4.179 1.00 0.00 O ATOM 1179 CB LEU A 81 3.921 -9.545 5.141 1.00 0.00 C ATOM 1180 CG LEU A 81 4.321 -8.229 4.496 1.00 0.00 C ATOM 1181 CD1 LEU A 81 3.256 -7.192 4.808 1.00 0.00 C ATOM 1182 CD2 LEU A 81 5.670 -7.777 5.054 1.00 0.00 C ATOM 0 H LEU A 81 1.529 -8.976 5.115 1.00 0.00 H new ATOM 0 HA LEU A 81 3.357 -10.352 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.449 -9.363 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.804 -10.156 5.328 1.00 0.00 H new ATOM 0 HG LEU A 81 4.410 -8.351 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.529 -6.241 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.297 -7.524 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.176 -7.066 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.957 -6.833 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.591 -7.643 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.425 -8.532 4.836 1.00 0.00 H new ATOM 1194 N GLU A 82 1.986 -11.796 5.809 1.00 0.00 N ATOM 1195 CA GLU A 82 1.706 -13.137 6.379 1.00 0.00 C ATOM 1196 C GLU A 82 0.766 -13.916 5.460 1.00 0.00 C ATOM 1197 O GLU A 82 1.046 -15.037 5.083 1.00 0.00 O ATOM 1198 CB GLU A 82 1.067 -12.888 7.754 1.00 0.00 C ATOM 1199 CG GLU A 82 -0.107 -11.908 7.642 1.00 0.00 C ATOM 1200 CD GLU A 82 -1.425 -12.684 7.688 1.00 0.00 C ATOM 1201 OE1 GLU A 82 -1.388 -13.889 7.501 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -2.450 -12.060 7.908 1.00 0.00 O ATOM 0 H GLU A 82 1.573 -11.012 6.315 1.00 0.00 H new ATOM 0 HA GLU A 82 2.612 -13.735 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.719 -13.832 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.814 -12.490 8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.070 -11.185 8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.037 -11.344 6.712 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.260 -7.299 0.918 1.00 0.00 N ATOM 1261 CA VAL A 86 -5.917 -6.013 1.295 1.00 0.00 C ATOM 1262 C VAL A 86 -7.055 -5.674 0.327 1.00 0.00 C ATOM 1263 O VAL A 86 -6.831 -5.496 -0.854 1.00 0.00 O ATOM 1264 CB VAL A 86 -4.812 -4.961 1.191 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.426 -3.565 1.323 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -3.793 -5.178 2.311 1.00 0.00 C ATOM 0 HA VAL A 86 -6.356 -6.063 2.291 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.314 -5.050 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.640 -2.813 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.152 -3.410 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.923 -3.476 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.005 -4.428 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.290 -5.088 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.357 -6.173 2.218 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.241 -5.577 0.867 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.419 -5.234 0.048 1.00 0.00 C ATOM 1278 C PRO A 87 -9.503 -3.714 -0.126 1.00 0.00 C ATOM 1279 O PRO A 87 -8.713 -2.976 0.428 1.00 0.00 O ATOM 1280 CB PRO A 87 -10.590 -5.751 0.876 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.104 -5.768 2.296 1.00 0.00 C ATOM 1282 CD PRO A 87 -8.593 -5.779 2.276 1.00 0.00 C ATOM 0 HA PRO A 87 -9.394 -5.662 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.462 -5.106 0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -10.889 -6.748 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.471 -4.894 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.484 -6.646 2.818 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.182 -4.989 2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.198 -6.723 2.652 1.00 0.00 H new ATOM 1290 N MET A 88 -10.449 -3.239 -0.884 1.00 0.00 N ATOM 1291 CA MET A 88 -10.569 -1.764 -1.076 1.00 0.00 C ATOM 1292 C MET A 88 -11.711 -1.214 -0.240 1.00 0.00 C ATOM 1293 O MET A 88 -12.178 -0.115 -0.467 1.00 0.00 O ATOM 1294 CB MET A 88 -10.916 -1.563 -2.539 1.00 0.00 C ATOM 1295 CG MET A 88 -9.717 -1.914 -3.417 1.00 0.00 C ATOM 1296 SD MET A 88 -10.151 -1.670 -5.157 1.00 0.00 S ATOM 1297 CE MET A 88 -9.230 -0.132 -5.404 1.00 0.00 C ATOM 0 H MET A 88 -11.142 -3.802 -1.377 1.00 0.00 H new ATOM 0 HA MET A 88 -9.648 -1.259 -0.784 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.768 -2.187 -2.808 1.00 0.00 H new ATOM 0 HB3 MET A 88 -11.212 -0.528 -2.711 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.864 -1.289 -3.153 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.419 -2.949 -3.247 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.358 0.208 -6.432 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.604 0.630 -4.720 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.172 -0.306 -5.209 1.00 0.00 H new ATOM 1307 N SER A 89 -12.187 -1.957 0.709 1.00 0.00 N ATOM 1308 CA SER A 89 -13.310 -1.442 1.512 1.00 0.00 C ATOM 1309 C SER A 89 -12.866 -1.222 2.936 1.00 0.00 C ATOM 1310 O SER A 89 -12.694 -2.150 3.691 1.00 0.00 O ATOM 1311 CB SER A 89 -14.378 -2.519 1.451 1.00 0.00 C ATOM 1312 OG SER A 89 -14.851 -2.641 0.117 1.00 0.00 O ATOM 0 H SER A 89 -11.850 -2.887 0.959 1.00 0.00 H new ATOM 0 HA SER A 89 -13.679 -0.488 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.970 -3.471 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.202 -2.268 2.119 1.00 0.00 H new ATOM 0 HG SER A 89 -15.539 -3.337 0.076 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.680 0.001 3.298 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.249 0.301 4.681 1.00 0.00 C ATOM 1320 C LEU A 90 -13.484 0.297 5.591 1.00 0.00 C ATOM 1321 O LEU A 90 -14.294 1.202 5.553 1.00 0.00 O ATOM 1322 CB LEU A 90 -11.568 1.678 4.575 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.994 2.607 5.714 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.701 1.949 7.066 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -11.207 3.916 5.612 1.00 0.00 C ATOM 0 H LEU A 90 -12.807 0.814 2.695 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.560 -0.425 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.486 1.551 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.819 2.136 3.618 1.00 0.00 H new ATOM 0 HG LEU A 90 -13.063 2.804 5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -12.008 2.618 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -12.254 1.013 7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -10.633 1.748 7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.505 4.584 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.140 3.706 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.415 4.392 4.654 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.591 -0.744 6.372 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.741 -0.889 7.299 1.00 0.00 C ATOM 1339 C PRO A 91 -14.690 0.192 8.378 1.00 0.00 C ATOM 1340 O PRO A 91 -13.649 0.762 8.637 1.00 0.00 O ATOM 1341 CB PRO A 91 -14.545 -2.283 7.896 1.00 0.00 C ATOM 1342 CG PRO A 91 -13.083 -2.553 7.750 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.658 -1.874 6.476 1.00 0.00 C ATOM 0 HA PRO A 91 -15.709 -0.779 6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.851 -2.313 8.942 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.140 -3.028 7.368 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.528 -2.163 8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.887 -3.624 7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.622 -1.538 6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.737 -2.542 5.618 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.824 0.444 8.971 1.00 0.00 N ATOM 1352 CA PRO A 92 -15.912 1.474 10.029 1.00 0.00 C ATOM 1353 C PRO A 92 -15.211 0.992 11.298 1.00 0.00 C ATOM 1354 O PRO A 92 -14.892 1.769 12.175 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.412 1.639 10.251 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.011 0.344 9.803 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.118 -0.201 8.718 1.00 0.00 C ATOM 0 HA PRO A 92 -15.429 2.413 9.758 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.637 1.837 11.299 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -17.807 2.477 9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.080 -0.357 10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.024 0.496 9.429 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.041 -1.287 8.772 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.499 0.043 7.726 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.942 -0.279 11.390 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.235 -0.792 12.588 1.00 0.00 C ATOM 1367 C ALA A 93 -12.778 -0.345 12.519 1.00 0.00 C ATOM 1368 O ALA A 93 -12.016 -0.517 13.446 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.342 -2.316 12.500 1.00 0.00 C ATOM 0 H ALA A 93 -15.181 -0.980 10.689 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.655 -0.425 13.525 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.840 -2.766 13.356 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.392 -2.608 12.501 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.870 -2.661 11.580 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.392 0.236 11.413 1.00 0.00 N ATOM 1376 CA LEU A 94 -10.991 0.704 11.258 1.00 0.00 C ATOM 1377 C LEU A 94 -10.864 2.152 11.735 1.00 0.00 C ATOM 1378 O LEU A 94 -9.816 2.588 12.166 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.723 0.627 9.755 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.560 -0.324 9.490 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -9.809 -1.635 10.229 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -9.458 -0.596 7.989 1.00 0.00 C ATOM 0 H LEU A 94 -12.994 0.406 10.608 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.288 0.108 11.840 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.615 0.280 9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.491 1.618 9.366 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.630 0.124 9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.981 -2.320 10.044 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.887 -1.441 11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.737 -2.083 9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.627 -1.275 7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.385 -1.049 7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.289 0.342 7.460 1.00 0.00 H new ATOM 1394 N VAL A 95 -11.926 2.902 11.641 1.00 0.00 N ATOM 1395 CA VAL A 95 -11.877 4.330 12.066 1.00 0.00 C ATOM 1396 C VAL A 95 -11.722 4.448 13.584 1.00 0.00 C ATOM 1397 O VAL A 95 -12.378 3.752 14.334 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.216 4.917 11.624 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -13.243 6.414 11.936 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.395 4.706 10.119 1.00 0.00 C ATOM 0 H VAL A 95 -12.829 2.587 11.287 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.027 4.852 11.627 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.025 4.419 12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.198 6.834 11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -13.116 6.565 13.008 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -12.434 6.912 11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.351 5.125 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -12.586 5.203 9.583 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.376 3.639 9.896 1.00 0.00 H new