USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 TYR OH : rot 79:sc= -0.271 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 163:sc= -1.33 (180deg=-0.797) USER MOD Set 2.2: A 79 ASN : amide:sc= -4.83! C(o=-6.2!,f=-15!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 60:sc= -0.682 USER MOD Single : A 36 TYR OH : rot 138:sc= 0.0619 USER MOD Single : A 38 SER OG : rot 151:sc= 0.0897 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 33:sc= 0.681 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.024) USER MOD Single : A 102 LYS NZ :NH3+ -167:sc=-0.00413 (180deg=-0.144) USER MOD Single : A 104 THR OG1 : rot -78:sc= -0.405 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.001 9.381 -4.401 1.00 0.00 N ATOM 2 CA MET A 23 6.007 7.928 -4.403 1.00 0.00 C ATOM 3 C MET A 23 6.807 7.380 -3.218 1.00 0.00 C ATOM 4 O MET A 23 7.998 7.663 -3.085 1.00 0.00 O ATOM 5 CB MET A 23 6.619 7.421 -5.711 1.00 0.00 C ATOM 6 CG MET A 23 6.153 5.997 -6.018 1.00 0.00 C ATOM 7 SD MET A 23 6.572 5.567 -7.699 1.00 0.00 S ATOM 8 CE MET A 23 8.015 4.556 -7.410 1.00 0.00 C ATOM 0 HA MET A 23 4.978 7.580 -4.314 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.338 8.084 -6.529 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.706 7.445 -5.641 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.621 5.296 -5.327 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.076 5.918 -5.871 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.408 4.201 -8.363 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.777 5.146 -6.901 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.743 3.702 -6.789 1.00 0.00 H new ATOM 18 N ARG A 24 6.122 6.609 -2.389 1.00 0.00 N ATOM 19 CA ARG A 24 6.754 6.021 -1.219 1.00 0.00 C ATOM 20 C ARG A 24 6.828 4.499 -1.367 1.00 0.00 C ATOM 21 O ARG A 24 5.877 3.869 -1.825 1.00 0.00 O ATOM 22 CB ARG A 24 5.982 6.366 0.056 1.00 0.00 C ATOM 23 CG ARG A 24 6.778 7.333 0.934 1.00 0.00 C ATOM 24 CD ARG A 24 7.873 6.596 1.707 1.00 0.00 C ATOM 25 NE ARG A 24 9.169 6.738 1.009 1.00 0.00 N ATOM 26 CZ ARG A 24 10.350 6.398 1.541 1.00 0.00 C ATOM 27 NH1 ARG A 24 10.407 5.894 2.781 1.00 0.00 N ATOM 28 NH2 ARG A 24 11.477 6.563 0.833 1.00 0.00 N ATOM 0 H ARG A 24 5.135 6.377 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 24 7.760 6.432 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.022 6.812 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.768 5.454 0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.226 8.109 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.107 7.832 1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.949 6.997 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.615 5.541 1.802 1.00 0.00 H new ATOM 0 HE ARG A 24 9.163 7.119 0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.550 5.769 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.307 5.635 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.435 6.948 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.376 6.304 1.238 1.00 0.00 H new ATOM 42 N GLU A 25 7.969 3.954 -0.969 1.00 0.00 N ATOM 43 CA GLU A 25 8.182 2.520 -1.051 1.00 0.00 C ATOM 44 C GLU A 25 7.963 1.872 0.318 1.00 0.00 C ATOM 45 O GLU A 25 8.446 2.374 1.331 1.00 0.00 O ATOM 46 CB GLU A 25 9.577 2.202 -1.591 1.00 0.00 C ATOM 47 CG GLU A 25 10.658 2.585 -0.578 1.00 0.00 C ATOM 48 CD GLU A 25 12.054 2.272 -1.120 1.00 0.00 C ATOM 49 OE1 GLU A 25 12.444 2.941 -2.100 1.00 0.00 O ATOM 50 OE2 GLU A 25 12.698 1.370 -0.541 1.00 0.00 O ATOM 0 H GLU A 25 8.755 4.481 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 25 7.455 2.104 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.649 1.139 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.741 2.741 -2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.584 3.648 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.496 2.043 0.354 1.00 0.00 H new ATOM 57 N TYR A 26 7.232 0.766 0.303 1.00 0.00 N ATOM 58 CA TYR A 26 6.942 0.045 1.532 1.00 0.00 C ATOM 59 C TYR A 26 7.441 -1.399 1.450 1.00 0.00 C ATOM 60 O TYR A 26 7.372 -2.024 0.392 1.00 0.00 O ATOM 61 CB TYR A 26 5.419 0.040 1.668 1.00 0.00 C ATOM 62 CG TYR A 26 4.778 1.423 1.549 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.313 2.494 2.236 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.664 1.601 0.753 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.710 3.796 2.124 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.062 2.904 0.640 1.00 0.00 C ATOM 67 CZ TYR A 26 3.614 3.937 1.332 1.00 0.00 C ATOM 68 OH TYR A 26 3.044 5.169 1.226 1.00 0.00 O ATOM 0 H TYR A 26 6.832 0.352 -0.539 1.00 0.00 H new ATOM 0 HA TYR A 26 7.435 0.518 2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.998 -0.611 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.152 -0.391 2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.185 2.355 2.858 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.244 0.763 0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.119 4.642 2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.191 3.058 0.020 1.00 0.00 H new ATOM 0 HH TYR A 26 2.270 5.121 0.626 1.00 0.00 H new ATOM 78 N PRO A 27 7.944 -1.900 2.609 1.00 0.00 N ATOM 79 CA PRO A 27 8.454 -3.260 2.678 1.00 0.00 C ATOM 80 C PRO A 27 7.308 -4.274 2.696 1.00 0.00 C ATOM 81 O PRO A 27 6.140 -3.895 2.744 1.00 0.00 O ATOM 82 CB PRO A 27 9.301 -3.299 3.939 1.00 0.00 C ATOM 83 CG PRO A 27 8.861 -2.106 4.773 1.00 0.00 C ATOM 84 CD PRO A 27 8.041 -1.190 3.880 1.00 0.00 C ATOM 0 HA PRO A 27 9.049 -3.531 1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.151 -4.232 4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.362 -3.238 3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.270 -2.435 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.728 -1.577 5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.055 -1.002 4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.525 -0.221 3.756 1.00 0.00 H new ATOM 92 N VAL A 28 7.684 -5.545 2.655 1.00 0.00 N ATOM 93 CA VAL A 28 6.704 -6.617 2.666 1.00 0.00 C ATOM 94 C VAL A 28 7.088 -7.642 3.735 1.00 0.00 C ATOM 95 O VAL A 28 8.264 -7.959 3.902 1.00 0.00 O ATOM 96 CB VAL A 28 6.580 -7.226 1.267 1.00 0.00 C ATOM 97 CG1 VAL A 28 7.890 -7.896 0.845 1.00 0.00 C ATOM 98 CG2 VAL A 28 5.414 -8.213 1.202 1.00 0.00 C ATOM 0 H VAL A 28 8.655 -5.856 2.614 1.00 0.00 H new ATOM 0 HA VAL A 28 5.718 -6.232 2.926 1.00 0.00 H new ATOM 0 HB VAL A 28 6.375 -6.418 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.776 -8.321 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.690 -7.156 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.137 -8.689 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.347 -8.632 0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.577 -9.017 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.485 -7.695 1.442 1.00 0.00 H new ATOM 108 N LYS A 29 6.072 -8.132 4.430 1.00 0.00 N ATOM 109 CA LYS A 29 6.288 -9.115 5.478 1.00 0.00 C ATOM 110 C LYS A 29 6.319 -10.515 4.859 1.00 0.00 C ATOM 111 O LYS A 29 5.623 -10.781 3.881 1.00 0.00 O ATOM 112 CB LYS A 29 5.245 -8.956 6.586 1.00 0.00 C ATOM 113 CG LYS A 29 5.492 -9.951 7.720 1.00 0.00 C ATOM 114 CD LYS A 29 6.314 -9.313 8.840 1.00 0.00 C ATOM 115 CE LYS A 29 7.762 -9.089 8.401 1.00 0.00 C ATOM 116 NZ LYS A 29 8.685 -9.266 9.544 1.00 0.00 N ATOM 0 H LYS A 29 5.097 -7.867 4.288 1.00 0.00 H new ATOM 0 HA LYS A 29 7.254 -8.955 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.277 -7.939 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.247 -9.108 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.538 -10.299 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.015 -10.826 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.866 -8.362 9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.293 -9.954 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.020 -9.789 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.872 -8.086 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.663 -9.110 9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.449 -8.581 10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.592 -10.232 9.919 1.00 0.00 H new ATOM 130 N LYS A 30 7.134 -11.373 5.456 1.00 0.00 N ATOM 131 CA LYS A 30 7.264 -12.737 4.977 1.00 0.00 C ATOM 132 C LYS A 30 5.967 -13.498 5.255 1.00 0.00 C ATOM 133 O LYS A 30 5.588 -13.684 6.410 1.00 0.00 O ATOM 134 CB LYS A 30 8.507 -13.400 5.577 1.00 0.00 C ATOM 135 CG LYS A 30 9.557 -13.672 4.500 1.00 0.00 C ATOM 136 CD LYS A 30 10.358 -14.935 4.822 1.00 0.00 C ATOM 137 CE LYS A 30 11.114 -15.435 3.590 1.00 0.00 C ATOM 138 NZ LYS A 30 10.887 -16.885 3.393 1.00 0.00 N ATOM 0 H LYS A 30 7.710 -11.149 6.267 1.00 0.00 H new ATOM 0 HA LYS A 30 7.414 -12.748 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.930 -12.756 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.227 -14.336 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.069 -13.783 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.232 -12.819 4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.064 -14.727 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.686 -15.714 5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.785 -14.887 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.180 -15.241 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.408 -17.207 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.223 -17.406 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.871 -17.062 3.260 1.00 0.00 H new ATOM 152 N GLY A 31 5.321 -13.917 4.177 1.00 0.00 N ATOM 153 CA GLY A 31 4.074 -14.653 4.290 1.00 0.00 C ATOM 154 C GLY A 31 2.916 -13.870 3.670 1.00 0.00 C ATOM 155 O GLY A 31 1.934 -14.458 3.217 1.00 0.00 O ATOM 0 H GLY A 31 5.638 -13.760 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.171 -15.619 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.860 -14.854 5.340 1.00 0.00 H new ATOM 159 N PHE A 32 3.067 -12.553 3.668 1.00 0.00 N ATOM 160 CA PHE A 32 2.048 -11.682 3.112 1.00 0.00 C ATOM 161 C PHE A 32 1.919 -11.885 1.600 1.00 0.00 C ATOM 162 O PHE A 32 2.830 -12.411 0.961 1.00 0.00 O ATOM 163 CB PHE A 32 2.488 -10.243 3.383 1.00 0.00 C ATOM 164 CG PHE A 32 2.047 -9.705 4.747 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.346 -10.396 5.880 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.356 -8.537 4.824 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.936 -9.896 7.144 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.946 -8.037 6.090 1.00 0.00 C ATOM 169 CZ PHE A 32 1.244 -8.728 7.223 1.00 0.00 C ATOM 0 H PHE A 32 3.882 -12.069 4.044 1.00 0.00 H new ATOM 0 HA PHE A 32 1.083 -11.904 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.574 -10.187 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.086 -9.598 2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.895 -11.324 5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.119 -7.989 3.924 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.174 -10.444 8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.398 -7.108 6.152 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.931 -8.349 8.185 1.00 0.00 H new ATOM 179 N PRO A 33 0.752 -11.446 1.058 1.00 0.00 N ATOM 180 CA PRO A 33 0.493 -11.574 -0.366 1.00 0.00 C ATOM 181 C PRO A 33 1.292 -10.541 -1.164 1.00 0.00 C ATOM 182 O PRO A 33 1.288 -9.356 -0.832 1.00 0.00 O ATOM 183 CB PRO A 33 -1.011 -11.402 -0.509 1.00 0.00 C ATOM 184 CG PRO A 33 -1.476 -10.724 0.770 1.00 0.00 C ATOM 185 CD PRO A 33 -0.348 -10.818 1.784 1.00 0.00 C ATOM 0 HA PRO A 33 0.810 -12.537 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.254 -10.797 -1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.503 -12.365 -0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.731 -9.682 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.375 -11.207 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.066 -9.833 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.642 -11.412 2.649 1.00 0.00 H new ATOM 193 N THR A 34 1.958 -11.028 -2.200 1.00 0.00 N ATOM 194 CA THR A 34 2.760 -10.161 -3.048 1.00 0.00 C ATOM 195 C THR A 34 2.345 -10.317 -4.513 1.00 0.00 C ATOM 196 O THR A 34 2.970 -9.742 -5.402 1.00 0.00 O ATOM 197 CB THR A 34 4.233 -10.485 -2.794 1.00 0.00 C ATOM 198 OG1 THR A 34 4.603 -9.614 -1.730 1.00 0.00 O ATOM 199 CG2 THR A 34 5.134 -10.057 -3.956 1.00 0.00 C ATOM 0 H THR A 34 1.959 -12.011 -2.472 1.00 0.00 H new ATOM 0 HA THR A 34 2.598 -9.110 -2.808 1.00 0.00 H new ATOM 0 HB THR A 34 4.345 -11.555 -2.622 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.044 -9.799 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.169 -10.309 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.827 -10.576 -4.864 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.048 -8.981 -4.106 1.00 0.00 H new ATOM 207 N ASP A 35 1.296 -11.098 -4.717 1.00 0.00 N ATOM 208 CA ASP A 35 0.791 -11.337 -6.060 1.00 0.00 C ATOM 209 C ASP A 35 -0.377 -10.388 -6.337 1.00 0.00 C ATOM 210 O ASP A 35 -1.208 -10.151 -5.463 1.00 0.00 O ATOM 211 CB ASP A 35 0.281 -12.771 -6.209 1.00 0.00 C ATOM 212 CG ASP A 35 1.225 -13.852 -5.680 1.00 0.00 C ATOM 213 OD1 ASP A 35 1.154 -14.120 -4.460 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.997 -14.387 -6.505 1.00 0.00 O ATOM 0 H ASP A 35 0.781 -11.574 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 35 1.608 -11.170 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.673 -12.857 -5.689 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.087 -12.964 -7.264 1.00 0.00 H new ATOM 219 N TYR A 36 -0.400 -9.872 -7.557 1.00 0.00 N ATOM 220 CA TYR A 36 -1.453 -8.955 -7.960 1.00 0.00 C ATOM 221 C TYR A 36 -2.831 -9.504 -7.588 1.00 0.00 C ATOM 222 O TYR A 36 -3.606 -8.837 -6.904 1.00 0.00 O ATOM 223 CB TYR A 36 -1.355 -8.844 -9.483 1.00 0.00 C ATOM 224 CG TYR A 36 -0.409 -7.745 -9.969 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.942 -7.823 -9.687 1.00 0.00 C ATOM 226 CD2 TYR A 36 -0.902 -6.675 -10.687 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.833 -6.788 -10.143 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.011 -5.640 -11.142 1.00 0.00 C ATOM 229 CZ TYR A 36 1.312 -5.748 -10.848 1.00 0.00 C ATOM 230 OH TYR A 36 2.154 -4.770 -11.280 1.00 0.00 O ATOM 0 H TYR A 36 0.293 -10.071 -8.279 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.335 -7.993 -7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.021 -9.800 -9.886 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.350 -8.658 -9.888 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.329 -8.660 -9.125 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.957 -6.614 -10.908 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.891 -6.836 -9.930 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.385 -4.797 -11.704 1.00 0.00 H new ATOM 0 HH TYR A 36 1.917 -4.515 -12.196 1.00 0.00 H new ATOM 240 N ASP A 37 -3.097 -10.715 -8.057 1.00 0.00 N ATOM 241 CA ASP A 37 -4.369 -11.361 -7.782 1.00 0.00 C ATOM 242 C ASP A 37 -4.559 -11.482 -6.268 1.00 0.00 C ATOM 243 O ASP A 37 -5.632 -11.185 -5.747 1.00 0.00 O ATOM 244 CB ASP A 37 -4.411 -12.770 -8.378 1.00 0.00 C ATOM 245 CG ASP A 37 -5.653 -13.080 -9.216 1.00 0.00 C ATOM 246 OD1 ASP A 37 -6.687 -12.423 -8.965 1.00 0.00 O ATOM 247 OD2 ASP A 37 -5.540 -13.968 -10.090 1.00 0.00 O ATOM 0 H ASP A 37 -2.453 -11.265 -8.625 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.158 -10.756 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.527 -12.912 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.349 -13.494 -7.566 1.00 0.00 H new ATOM 252 N SER A 38 -3.498 -11.918 -5.605 1.00 0.00 N ATOM 253 CA SER A 38 -3.532 -12.082 -4.162 1.00 0.00 C ATOM 254 C SER A 38 -4.007 -10.786 -3.499 1.00 0.00 C ATOM 255 O SER A 38 -4.854 -10.815 -2.609 1.00 0.00 O ATOM 256 CB SER A 38 -2.161 -12.486 -3.619 1.00 0.00 C ATOM 257 OG SER A 38 -1.877 -13.861 -3.855 1.00 0.00 O ATOM 0 H SER A 38 -2.609 -12.163 -6.041 1.00 0.00 H new ATOM 0 HA SER A 38 -4.234 -12.882 -3.926 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.391 -11.872 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.122 -12.287 -2.548 1.00 0.00 H new ATOM 0 HG SER A 38 -0.909 -13.985 -3.940 1.00 0.00 H new ATOM 263 N ILE A 39 -3.437 -9.683 -3.960 1.00 0.00 N ATOM 264 CA ILE A 39 -3.790 -8.379 -3.424 1.00 0.00 C ATOM 265 C ILE A 39 -5.217 -8.027 -3.846 1.00 0.00 C ATOM 266 O ILE A 39 -5.970 -7.432 -3.075 1.00 0.00 O ATOM 267 CB ILE A 39 -2.752 -7.332 -3.833 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.346 -7.756 -3.402 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.126 -5.950 -3.293 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.291 -7.218 -4.370 1.00 0.00 C ATOM 0 H ILE A 39 -2.733 -9.665 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.776 -8.400 -2.334 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.747 -7.262 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.143 -7.388 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.287 -8.844 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.372 -5.224 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.097 -5.654 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.176 -5.986 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.699 -7.533 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.482 -7.607 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.337 -6.129 -4.390 1.00 0.00 H new ATOM 282 N LYS A 40 -5.550 -8.412 -5.070 1.00 0.00 N ATOM 283 CA LYS A 40 -6.874 -8.145 -5.604 1.00 0.00 C ATOM 284 C LYS A 40 -7.930 -8.681 -4.634 1.00 0.00 C ATOM 285 O LYS A 40 -8.985 -8.075 -4.462 1.00 0.00 O ATOM 286 CB LYS A 40 -7.004 -8.704 -7.022 1.00 0.00 C ATOM 287 CG LYS A 40 -6.159 -7.896 -8.010 1.00 0.00 C ATOM 288 CD LYS A 40 -6.980 -7.498 -9.237 1.00 0.00 C ATOM 289 CE LYS A 40 -6.724 -8.456 -10.402 1.00 0.00 C ATOM 290 NZ LYS A 40 -7.992 -9.070 -10.858 1.00 0.00 N ATOM 0 H LYS A 40 -4.925 -8.907 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.037 -7.071 -5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.688 -9.747 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.049 -8.684 -7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.775 -7.002 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.296 -8.484 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.041 -7.500 -8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.725 -6.481 -9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.257 -7.918 -11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.027 -9.235 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.800 -9.717 -11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.423 -9.600 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.646 -8.324 -11.172 1.00 0.00 H new ATOM 304 N ARG A 41 -7.606 -9.813 -4.025 1.00 0.00 N ATOM 305 CA ARG A 41 -8.512 -10.438 -3.077 1.00 0.00 C ATOM 306 C ARG A 41 -8.464 -9.704 -1.735 1.00 0.00 C ATOM 307 O ARG A 41 -9.471 -9.616 -1.035 1.00 0.00 O ATOM 308 CB ARG A 41 -8.152 -11.909 -2.859 1.00 0.00 C ATOM 309 CG ARG A 41 -8.836 -12.799 -3.901 1.00 0.00 C ATOM 310 CD ARG A 41 -8.194 -12.624 -5.277 1.00 0.00 C ATOM 311 NE ARG A 41 -8.765 -13.603 -6.229 1.00 0.00 N ATOM 312 CZ ARG A 41 -8.394 -14.888 -6.299 1.00 0.00 C ATOM 313 NH1 ARG A 41 -7.449 -15.358 -5.473 1.00 0.00 N ATOM 314 NH2 ARG A 41 -8.966 -15.704 -7.195 1.00 0.00 N ATOM 0 H ARG A 41 -6.729 -10.313 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.518 -10.380 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.071 -12.036 -2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.453 -12.217 -1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.768 -13.843 -3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.896 -12.552 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.363 -11.610 -5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.115 -12.761 -5.204 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.487 -13.278 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.013 -14.737 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.166 -16.337 -5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.685 -15.347 -7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.683 -16.682 -7.248 1.00 0.00 H new ATOM 328 N LYS A 42 -7.282 -9.198 -1.416 1.00 0.00 N ATOM 329 CA LYS A 42 -7.089 -8.474 -0.169 1.00 0.00 C ATOM 330 C LYS A 42 -7.909 -7.183 -0.202 1.00 0.00 C ATOM 331 O LYS A 42 -8.555 -6.828 0.783 1.00 0.00 O ATOM 332 CB LYS A 42 -5.599 -8.250 0.094 1.00 0.00 C ATOM 333 CG LYS A 42 -4.937 -9.527 0.613 1.00 0.00 C ATOM 334 CD LYS A 42 -5.512 -9.932 1.972 1.00 0.00 C ATOM 335 CE LYS A 42 -4.413 -9.997 3.036 1.00 0.00 C ATOM 336 NZ LYS A 42 -4.769 -10.976 4.087 1.00 0.00 N ATOM 0 H LYS A 42 -6.448 -9.274 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.453 -9.062 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.108 -7.929 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.471 -7.448 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.086 -10.335 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.862 -9.373 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.275 -9.216 2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.001 -10.903 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.467 -10.278 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.270 -9.012 3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.014 -11.009 4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.661 -10.691 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.883 -11.918 3.660 1.00 0.00 H new ATOM 350 N ILE A 43 -7.857 -6.515 -1.345 1.00 0.00 N ATOM 351 CA ILE A 43 -8.587 -5.271 -1.519 1.00 0.00 C ATOM 352 C ILE A 43 -10.085 -5.536 -1.357 1.00 0.00 C ATOM 353 O ILE A 43 -10.748 -4.893 -0.544 1.00 0.00 O ATOM 354 CB ILE A 43 -8.219 -4.616 -2.852 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.709 -4.396 -2.957 1.00 0.00 C ATOM 356 CG2 ILE A 43 -9.003 -3.318 -3.059 1.00 0.00 C ATOM 357 CD1 ILE A 43 -6.256 -4.391 -4.419 1.00 0.00 C ATOM 0 H ILE A 43 -7.320 -6.812 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.305 -4.553 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.502 -5.296 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.442 -3.450 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.185 -5.181 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.723 -2.872 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.071 -3.534 -3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.774 -2.622 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.179 -4.233 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.503 -5.348 -4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.764 -3.589 -4.955 1.00 0.00 H new ATOM 369 N SER A 44 -10.574 -6.485 -2.142 1.00 0.00 N ATOM 370 CA SER A 44 -11.982 -6.842 -2.096 1.00 0.00 C ATOM 371 C SER A 44 -12.321 -7.455 -0.735 1.00 0.00 C ATOM 372 O SER A 44 -13.422 -7.265 -0.223 1.00 0.00 O ATOM 373 CB SER A 44 -12.339 -7.817 -3.220 1.00 0.00 C ATOM 374 OG SER A 44 -13.747 -7.983 -3.354 1.00 0.00 O ATOM 0 H SER A 44 -10.021 -7.017 -2.813 1.00 0.00 H new ATOM 0 HA SER A 44 -12.570 -5.935 -2.237 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.926 -7.453 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.877 -8.784 -3.022 1.00 0.00 H new ATOM 0 HG SER A 44 -13.934 -8.611 -4.082 1.00 0.00 H new ATOM 380 N GLU A 45 -11.354 -8.177 -0.189 1.00 0.00 N ATOM 381 CA GLU A 45 -11.537 -8.818 1.102 1.00 0.00 C ATOM 382 C GLU A 45 -11.877 -7.776 2.169 1.00 0.00 C ATOM 383 O GLU A 45 -12.671 -8.041 3.070 1.00 0.00 O ATOM 384 CB GLU A 45 -10.294 -9.620 1.496 1.00 0.00 C ATOM 385 CG GLU A 45 -10.381 -11.056 0.976 1.00 0.00 C ATOM 386 CD GLU A 45 -10.505 -12.051 2.132 1.00 0.00 C ATOM 387 OE1 GLU A 45 -11.601 -12.089 2.732 1.00 0.00 O ATOM 388 OE2 GLU A 45 -9.502 -12.751 2.388 1.00 0.00 O ATOM 0 H GLU A 45 -10.441 -8.332 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.371 -9.515 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.403 -9.137 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.191 -9.628 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.240 -11.155 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.494 -11.287 0.386 1.00 0.00 H new ATOM 395 N LEU A 46 -11.262 -6.610 2.031 1.00 0.00 N ATOM 396 CA LEU A 46 -11.490 -5.527 2.971 1.00 0.00 C ATOM 397 C LEU A 46 -12.794 -4.813 2.613 1.00 0.00 C ATOM 398 O LEU A 46 -13.435 -4.212 3.474 1.00 0.00 O ATOM 399 CB LEU A 46 -10.274 -4.598 3.024 1.00 0.00 C ATOM 400 CG LEU A 46 -10.287 -3.423 2.046 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.522 -2.101 2.780 1.00 0.00 C ATOM 402 CD2 LEU A 46 -9.006 -3.393 1.209 1.00 0.00 C ATOM 0 H LEU A 46 -10.606 -6.392 1.281 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.607 -5.918 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.188 -4.202 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.379 -5.192 2.836 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.120 -3.561 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.527 -1.282 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.482 -2.137 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.725 -1.942 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.040 -2.548 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.143 -3.290 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.921 -4.319 0.641 1.00 0.00 H new ATOM 414 N GLY A 47 -13.150 -4.902 1.339 1.00 0.00 N ATOM 415 CA GLY A 47 -14.367 -4.272 0.856 1.00 0.00 C ATOM 416 C GLY A 47 -14.047 -3.138 -0.120 1.00 0.00 C ATOM 417 O GLY A 47 -14.749 -2.128 -0.156 1.00 0.00 O ATOM 0 H GLY A 47 -12.617 -5.401 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.994 -5.015 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.938 -3.881 1.699 1.00 0.00 H new ATOM 421 N PHE A 48 -12.986 -3.342 -0.887 1.00 0.00 N ATOM 422 CA PHE A 48 -12.563 -2.350 -1.861 1.00 0.00 C ATOM 423 C PHE A 48 -12.581 -2.928 -3.277 1.00 0.00 C ATOM 424 O PHE A 48 -12.785 -4.128 -3.458 1.00 0.00 O ATOM 425 CB PHE A 48 -11.131 -1.951 -1.501 1.00 0.00 C ATOM 426 CG PHE A 48 -11.031 -0.987 -0.318 1.00 0.00 C ATOM 427 CD1 PHE A 48 -12.158 -0.441 0.211 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.815 -0.676 0.205 1.00 0.00 C ATOM 429 CE1 PHE A 48 -12.066 0.454 1.310 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.721 0.219 1.303 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.849 0.766 1.833 1.00 0.00 C ATOM 0 H PHE A 48 -12.406 -4.180 -0.854 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.240 -1.496 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.561 -2.851 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.663 -1.491 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.124 -0.688 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.920 -1.110 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.962 0.887 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.755 0.466 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.778 1.447 2.668 1.00 0.00 H new ATOM 441 N ASP A 49 -12.362 -2.050 -4.245 1.00 0.00 N ATOM 442 CA ASP A 49 -12.350 -2.458 -5.637 1.00 0.00 C ATOM 443 C ASP A 49 -10.921 -2.359 -6.181 1.00 0.00 C ATOM 444 O ASP A 49 -10.081 -1.672 -5.603 1.00 0.00 O ATOM 445 CB ASP A 49 -13.242 -1.550 -6.487 1.00 0.00 C ATOM 446 CG ASP A 49 -14.516 -2.209 -7.017 1.00 0.00 C ATOM 447 OD1 ASP A 49 -14.382 -3.044 -7.938 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.596 -1.864 -6.491 1.00 0.00 O ATOM 0 H ASP A 49 -12.191 -1.056 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.722 -3.481 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.521 -0.680 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.661 -1.184 -7.333 1.00 0.00 H new ATOM 453 N VAL A 50 -10.694 -3.055 -7.285 1.00 0.00 N ATOM 454 CA VAL A 50 -9.383 -3.053 -7.912 1.00 0.00 C ATOM 455 C VAL A 50 -9.550 -3.000 -9.432 1.00 0.00 C ATOM 456 O VAL A 50 -10.298 -3.791 -10.006 1.00 0.00 O ATOM 457 CB VAL A 50 -8.577 -4.266 -7.442 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.413 -5.545 -7.523 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.279 -4.406 -8.241 1.00 0.00 C ATOM 0 H VAL A 50 -11.394 -3.623 -7.761 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.819 -2.169 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.310 -4.106 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.816 -6.392 -7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.294 -5.444 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.725 -5.711 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.726 -5.276 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.514 -4.531 -9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.672 -3.511 -8.108 1.00 0.00 H new ATOM 469 N LYS A 51 -8.841 -2.060 -10.040 1.00 0.00 N ATOM 470 CA LYS A 51 -8.901 -1.893 -11.482 1.00 0.00 C ATOM 471 C LYS A 51 -7.544 -2.251 -12.090 1.00 0.00 C ATOM 472 O LYS A 51 -6.504 -2.025 -11.473 1.00 0.00 O ATOM 473 CB LYS A 51 -9.383 -0.485 -11.839 1.00 0.00 C ATOM 474 CG LYS A 51 -10.627 -0.111 -11.032 1.00 0.00 C ATOM 475 CD LYS A 51 -11.816 -0.994 -11.418 1.00 0.00 C ATOM 476 CE LYS A 51 -13.140 -0.266 -11.181 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.179 -0.764 -12.110 1.00 0.00 N ATOM 0 H LYS A 51 -8.222 -1.406 -9.560 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.634 -2.575 -11.914 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.589 0.236 -11.644 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.607 -0.433 -12.904 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.420 -0.218 -9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.876 0.936 -11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.736 -1.279 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.794 -1.915 -10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.464 -0.414 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.002 0.806 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.071 -0.259 -11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.875 -0.601 -13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.322 -1.783 -11.957 1.00 0.00 H new ATOM 491 N SER A 52 -7.597 -2.806 -13.292 1.00 0.00 N ATOM 492 CA SER A 52 -6.384 -3.199 -13.989 1.00 0.00 C ATOM 493 C SER A 52 -6.068 -2.190 -15.096 1.00 0.00 C ATOM 494 O SER A 52 -6.822 -2.065 -16.060 1.00 0.00 O ATOM 495 CB SER A 52 -6.516 -4.605 -14.576 1.00 0.00 C ATOM 496 OG SER A 52 -7.538 -4.677 -15.567 1.00 0.00 O ATOM 0 H SER A 52 -8.461 -2.993 -13.801 1.00 0.00 H new ATOM 0 HA SER A 52 -5.565 -3.211 -13.270 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.564 -4.905 -15.014 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.736 -5.312 -13.776 1.00 0.00 H new ATOM 0 HG SER A 52 -7.594 -3.821 -16.042 1.00 0.00 H new ATOM 502 N GLU A 53 -4.952 -1.498 -14.921 1.00 0.00 N ATOM 503 CA GLU A 53 -4.528 -0.504 -15.893 1.00 0.00 C ATOM 504 C GLU A 53 -3.257 -0.969 -16.607 1.00 0.00 C ATOM 505 O GLU A 53 -2.151 -0.774 -16.104 1.00 0.00 O ATOM 506 CB GLU A 53 -4.316 0.858 -15.229 1.00 0.00 C ATOM 507 CG GLU A 53 -5.617 1.663 -15.203 1.00 0.00 C ATOM 508 CD GLU A 53 -5.853 2.367 -16.540 1.00 0.00 C ATOM 509 OE1 GLU A 53 -6.393 1.698 -17.446 1.00 0.00 O ATOM 510 OE2 GLU A 53 -5.486 3.559 -16.626 1.00 0.00 O ATOM 0 H GLU A 53 -4.328 -1.606 -14.121 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.318 -0.390 -16.635 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.950 0.718 -14.212 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.550 1.415 -15.769 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.454 1.000 -14.984 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.576 2.401 -14.402 1.00 0.00 H new ATOM 517 N GLY A 54 -3.456 -1.577 -17.767 1.00 0.00 N ATOM 518 CA GLY A 54 -2.341 -2.073 -18.554 1.00 0.00 C ATOM 519 C GLY A 54 -1.616 -3.206 -17.826 1.00 0.00 C ATOM 520 O GLY A 54 -2.089 -4.342 -17.809 1.00 0.00 O ATOM 0 H GLY A 54 -4.374 -1.737 -18.181 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.702 -2.429 -19.519 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.643 -1.260 -18.755 1.00 0.00 H new ATOM 524 N ASP A 55 -0.478 -2.859 -17.242 1.00 0.00 N ATOM 525 CA ASP A 55 0.316 -3.833 -16.514 1.00 0.00 C ATOM 526 C ASP A 55 0.428 -3.404 -15.049 1.00 0.00 C ATOM 527 O ASP A 55 1.036 -4.100 -14.238 1.00 0.00 O ATOM 528 CB ASP A 55 1.732 -3.928 -17.086 1.00 0.00 C ATOM 529 CG ASP A 55 1.808 -4.050 -18.609 1.00 0.00 C ATOM 530 OD1 ASP A 55 1.461 -5.142 -19.109 1.00 0.00 O ATOM 531 OD2 ASP A 55 2.210 -3.048 -19.239 1.00 0.00 O ATOM 0 H ASP A 55 -0.088 -1.917 -17.259 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.176 -4.801 -16.603 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.291 -3.044 -16.779 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.230 -4.790 -16.642 1.00 0.00 H new ATOM 536 N LEU A 56 -0.172 -2.259 -14.755 1.00 0.00 N ATOM 537 CA LEU A 56 -0.149 -1.728 -13.403 1.00 0.00 C ATOM 538 C LEU A 56 -1.452 -2.099 -12.691 1.00 0.00 C ATOM 539 O LEU A 56 -2.454 -2.397 -13.340 1.00 0.00 O ATOM 540 CB LEU A 56 0.135 -0.225 -13.421 1.00 0.00 C ATOM 541 CG LEU A 56 1.409 0.207 -14.150 1.00 0.00 C ATOM 542 CD1 LEU A 56 2.034 1.433 -13.482 1.00 0.00 C ATOM 543 CD2 LEU A 56 2.400 -0.954 -14.260 1.00 0.00 C ATOM 0 H LEU A 56 -0.677 -1.685 -15.430 1.00 0.00 H new ATOM 0 HA LEU A 56 0.665 -2.176 -12.833 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.713 0.280 -13.883 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.192 0.126 -12.391 1.00 0.00 H new ATOM 0 HG LEU A 56 1.139 0.496 -15.166 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.938 1.719 -14.020 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.324 2.259 -13.501 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.287 1.195 -12.449 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.296 -0.619 -14.782 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.669 -1.298 -13.261 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.941 -1.773 -14.815 1.00 0.00 H new ATOM 555 N ILE A 57 -1.396 -2.067 -11.369 1.00 0.00 N ATOM 556 CA ILE A 57 -2.560 -2.396 -10.562 1.00 0.00 C ATOM 557 C ILE A 57 -3.118 -1.119 -9.935 1.00 0.00 C ATOM 558 O ILE A 57 -2.358 -0.261 -9.485 1.00 0.00 O ATOM 559 CB ILE A 57 -2.215 -3.483 -9.543 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.356 -4.495 -9.413 1.00 0.00 C ATOM 561 CG2 ILE A 57 -1.838 -2.869 -8.194 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.114 -5.446 -8.239 1.00 0.00 C ATOM 0 H ILE A 57 -0.563 -1.818 -10.835 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.350 -2.816 -11.185 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.342 -4.026 -9.905 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.300 -3.968 -9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.447 -5.067 -10.336 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.597 -3.663 -7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.972 -2.220 -8.319 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.676 -2.286 -7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.939 -6.155 -8.169 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.182 -5.989 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.048 -4.873 -7.314 1.00 0.00 H new ATOM 574 N ILE A 58 -4.440 -1.030 -9.923 1.00 0.00 N ATOM 575 CA ILE A 58 -5.107 0.130 -9.358 1.00 0.00 C ATOM 576 C ILE A 58 -5.993 -0.315 -8.191 1.00 0.00 C ATOM 577 O ILE A 58 -6.673 -1.337 -8.278 1.00 0.00 O ATOM 578 CB ILE A 58 -5.863 0.897 -10.445 1.00 0.00 C ATOM 579 CG1 ILE A 58 -4.998 1.071 -11.696 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.378 2.236 -9.915 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.869 2.074 -11.446 1.00 0.00 C ATOM 0 H ILE A 58 -5.067 -1.743 -10.296 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.376 0.831 -8.956 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.734 0.309 -10.734 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.577 0.109 -11.988 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.617 1.413 -12.526 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.911 2.760 -10.708 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.054 2.060 -9.078 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.537 2.843 -9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.269 2.180 -12.350 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.294 3.041 -11.178 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.238 1.717 -10.632 1.00 0.00 H new ATOM 593 N ALA A 59 -5.956 0.474 -7.128 1.00 0.00 N ATOM 594 CA ALA A 59 -6.746 0.174 -5.945 1.00 0.00 C ATOM 595 C ALA A 59 -7.892 1.181 -5.836 1.00 0.00 C ATOM 596 O ALA A 59 -7.728 2.353 -6.169 1.00 0.00 O ATOM 597 CB ALA A 59 -5.841 0.181 -4.712 1.00 0.00 C ATOM 0 H ALA A 59 -5.392 1.321 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.187 -0.820 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.433 -0.044 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.062 -0.572 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.383 1.164 -4.603 1.00 0.00 H new ATOM 603 N SER A 60 -9.028 0.687 -5.364 1.00 0.00 N ATOM 604 CA SER A 60 -10.201 1.529 -5.205 1.00 0.00 C ATOM 605 C SER A 60 -10.509 1.722 -3.719 1.00 0.00 C ATOM 606 O SER A 60 -11.025 0.817 -3.067 1.00 0.00 O ATOM 607 CB SER A 60 -11.411 0.931 -5.924 1.00 0.00 C ATOM 608 OG SER A 60 -12.065 1.885 -6.755 1.00 0.00 O ATOM 0 H SER A 60 -9.160 -0.286 -5.087 1.00 0.00 H new ATOM 0 HA SER A 60 -9.988 2.499 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.090 0.083 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.117 0.548 -5.187 1.00 0.00 H new ATOM 0 HG SER A 60 -12.831 1.463 -7.197 1.00 0.00 H new ATOM 614 N ILE A 61 -10.178 2.907 -3.228 1.00 0.00 N ATOM 615 CA ILE A 61 -10.415 3.231 -1.831 1.00 0.00 C ATOM 616 C ILE A 61 -11.141 4.573 -1.738 1.00 0.00 C ATOM 617 O ILE A 61 -10.925 5.460 -2.563 1.00 0.00 O ATOM 618 CB ILE A 61 -9.103 3.186 -1.042 1.00 0.00 C ATOM 619 CG1 ILE A 61 -8.273 4.449 -1.285 1.00 0.00 C ATOM 620 CG2 ILE A 61 -8.315 1.913 -1.360 1.00 0.00 C ATOM 621 CD1 ILE A 61 -7.072 4.506 -0.342 1.00 0.00 C ATOM 0 H ILE A 61 -9.748 3.655 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.064 2.485 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.345 3.159 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.929 4.469 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.896 5.331 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.388 1.906 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.912 1.040 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.083 1.885 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.500 5.413 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.420 4.511 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.438 3.635 -0.507 1.00 0.00 H new ATOM 633 N PRO A 62 -12.012 4.684 -0.700 1.00 0.00 N ATOM 634 CA PRO A 62 -12.774 5.905 -0.488 1.00 0.00 C ATOM 635 C PRO A 62 -11.888 7.009 0.091 1.00 0.00 C ATOM 636 O PRO A 62 -11.079 6.759 0.983 1.00 0.00 O ATOM 637 CB PRO A 62 -13.908 5.503 0.441 1.00 0.00 C ATOM 638 CG PRO A 62 -13.478 4.196 1.085 1.00 0.00 C ATOM 639 CD PRO A 62 -12.294 3.655 0.298 1.00 0.00 C ATOM 0 HA PRO A 62 -13.166 6.324 -1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.085 6.270 1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.839 5.378 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.202 4.357 2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.299 3.479 1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -11.433 3.484 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.534 2.702 -0.173 1.00 0.00 H new ATOM 647 N GLY A 63 -12.072 8.209 -0.440 1.00 0.00 N ATOM 648 CA GLY A 63 -11.300 9.354 0.013 1.00 0.00 C ATOM 649 C GLY A 63 -10.149 9.655 -0.948 1.00 0.00 C ATOM 650 O GLY A 63 -9.670 10.785 -1.016 1.00 0.00 O ATOM 0 H GLY A 63 -12.744 8.413 -1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.949 10.226 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.904 9.159 1.010 1.00 0.00 H new ATOM 654 N ILE A 64 -9.737 8.622 -1.669 1.00 0.00 N ATOM 655 CA ILE A 64 -8.652 8.761 -2.625 1.00 0.00 C ATOM 656 C ILE A 64 -9.222 8.739 -4.046 1.00 0.00 C ATOM 657 O ILE A 64 -10.333 8.260 -4.264 1.00 0.00 O ATOM 658 CB ILE A 64 -7.580 7.699 -2.377 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.864 7.942 -1.045 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.599 7.624 -3.549 1.00 0.00 C ATOM 661 CD1 ILE A 64 -5.534 7.189 -0.993 1.00 0.00 C ATOM 0 H ILE A 64 -10.136 7.685 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.153 9.721 -2.496 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.072 6.729 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.687 9.009 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.501 7.620 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.847 6.861 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.140 7.368 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.110 8.590 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.046 7.378 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.717 6.120 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.890 7.531 -1.803 1.00 0.00 H new ATOM 673 N SER A 65 -8.434 9.264 -4.973 1.00 0.00 N ATOM 674 CA SER A 65 -8.846 9.310 -6.365 1.00 0.00 C ATOM 675 C SER A 65 -8.344 8.065 -7.102 1.00 0.00 C ATOM 676 O SER A 65 -9.140 7.270 -7.598 1.00 0.00 O ATOM 677 CB SER A 65 -8.330 10.577 -7.050 1.00 0.00 C ATOM 678 OG SER A 65 -8.703 10.629 -8.425 1.00 0.00 O ATOM 0 H SER A 65 -7.513 9.661 -4.787 1.00 0.00 H new ATOM 0 HA SER A 65 -9.935 9.329 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.722 11.454 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.244 10.618 -6.967 1.00 0.00 H new ATOM 0 HG SER A 65 -8.357 11.453 -8.827 1.00 0.00 H new ATOM 684 N ARG A 66 -7.027 7.937 -7.149 1.00 0.00 N ATOM 685 CA ARG A 66 -6.409 6.804 -7.816 1.00 0.00 C ATOM 686 C ARG A 66 -5.018 6.540 -7.236 1.00 0.00 C ATOM 687 O ARG A 66 -4.271 7.475 -6.951 1.00 0.00 O ATOM 688 CB ARG A 66 -6.287 7.050 -9.322 1.00 0.00 C ATOM 689 CG ARG A 66 -7.075 6.005 -10.113 1.00 0.00 C ATOM 690 CD ARG A 66 -7.495 6.552 -11.479 1.00 0.00 C ATOM 691 NE ARG A 66 -6.963 5.686 -12.556 1.00 0.00 N ATOM 692 CZ ARG A 66 -7.214 5.869 -13.859 1.00 0.00 C ATOM 693 NH1 ARG A 66 -7.989 6.889 -14.255 1.00 0.00 N ATOM 694 NH2 ARG A 66 -6.690 5.035 -14.766 1.00 0.00 N ATOM 0 H ARG A 66 -6.370 8.599 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.046 5.935 -7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.655 8.047 -9.562 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.238 7.019 -9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.467 5.111 -10.247 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.959 5.708 -9.549 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.582 6.599 -11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.124 7.569 -11.602 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.368 4.901 -12.289 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.387 7.525 -13.564 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.180 7.029 -15.247 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.099 4.260 -14.465 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.881 5.175 -15.758 1.00 0.00 H new ATOM 708 N ILE A 67 -4.710 5.260 -7.078 1.00 0.00 N ATOM 709 CA ILE A 67 -3.422 4.861 -6.537 1.00 0.00 C ATOM 710 C ILE A 67 -2.888 3.668 -7.332 1.00 0.00 C ATOM 711 O ILE A 67 -3.656 2.808 -7.758 1.00 0.00 O ATOM 712 CB ILE A 67 -3.531 4.599 -5.033 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.644 3.594 -4.731 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.714 5.907 -4.260 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.965 4.309 -4.438 1.00 0.00 C ATOM 0 H ILE A 67 -5.331 4.486 -7.315 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.696 5.667 -6.645 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.595 4.154 -4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.771 2.921 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.362 2.980 -3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.789 5.692 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.859 6.559 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.625 6.403 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.739 3.571 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.841 4.963 -3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.257 4.903 -5.304 1.00 0.00 H new ATOM 727 N GLU A 68 -1.574 3.656 -7.505 1.00 0.00 N ATOM 728 CA GLU A 68 -0.927 2.583 -8.242 1.00 0.00 C ATOM 729 C GLU A 68 -0.026 1.769 -7.312 1.00 0.00 C ATOM 730 O GLU A 68 0.680 2.333 -6.476 1.00 0.00 O ATOM 731 CB GLU A 68 -0.136 3.132 -9.430 1.00 0.00 C ATOM 732 CG GLU A 68 -0.875 2.880 -10.746 1.00 0.00 C ATOM 733 CD GLU A 68 -0.208 3.629 -11.901 1.00 0.00 C ATOM 734 OE1 GLU A 68 0.987 3.961 -11.749 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.910 3.851 -12.912 1.00 0.00 O ATOM 0 H GLU A 68 -0.940 4.371 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.699 1.923 -8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.027 4.202 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.847 2.662 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.889 1.811 -10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.913 3.200 -10.652 1.00 0.00 H new ATOM 742 N ILE A 69 -0.078 0.456 -7.488 1.00 0.00 N ATOM 743 CA ILE A 69 0.725 -0.439 -6.674 1.00 0.00 C ATOM 744 C ILE A 69 1.592 -1.310 -7.586 1.00 0.00 C ATOM 745 O ILE A 69 1.162 -1.699 -8.671 1.00 0.00 O ATOM 746 CB ILE A 69 -0.166 -1.243 -5.724 1.00 0.00 C ATOM 747 CG1 ILE A 69 -0.643 -0.377 -4.556 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.546 -2.510 -5.244 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.800 0.529 -4.982 1.00 0.00 C ATOM 0 H ILE A 69 -0.664 -0.008 -8.182 1.00 0.00 H new ATOM 0 HA ILE A 69 1.402 0.130 -6.036 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.052 -1.560 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.961 -1.015 -3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.183 0.231 -4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.109 -3.063 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.795 -3.135 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.460 -2.236 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.120 1.134 -4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.472 1.183 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.634 -0.083 -5.326 1.00 0.00 H new ATOM 761 N LYS A 70 2.798 -1.589 -7.113 1.00 0.00 N ATOM 762 CA LYS A 70 3.729 -2.405 -7.872 1.00 0.00 C ATOM 763 C LYS A 70 4.408 -3.403 -6.933 1.00 0.00 C ATOM 764 O LYS A 70 5.436 -3.093 -6.329 1.00 0.00 O ATOM 765 CB LYS A 70 4.711 -1.521 -8.644 1.00 0.00 C ATOM 766 CG LYS A 70 4.289 -1.383 -10.108 1.00 0.00 C ATOM 767 CD LYS A 70 3.359 -0.183 -10.300 1.00 0.00 C ATOM 768 CE LYS A 70 4.099 1.132 -10.045 1.00 0.00 C ATOM 769 NZ LYS A 70 3.657 1.735 -8.768 1.00 0.00 N ATOM 0 H LYS A 70 3.151 -1.264 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 70 3.199 -2.986 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.760 -0.535 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.712 -1.949 -8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.173 -1.267 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.785 -2.294 -10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.958 -0.188 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.510 -0.264 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.174 0.952 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.914 1.826 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.348 2.451 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.728 2.184 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.584 0.995 -8.041 1.00 0.00 H new ATOM 783 N PRO A 71 3.793 -4.613 -6.836 1.00 0.00 N ATOM 784 CA PRO A 71 4.328 -5.657 -5.980 1.00 0.00 C ATOM 785 C PRO A 71 5.566 -6.299 -6.607 1.00 0.00 C ATOM 786 O PRO A 71 5.528 -6.741 -7.755 1.00 0.00 O ATOM 787 CB PRO A 71 3.182 -6.638 -5.792 1.00 0.00 C ATOM 788 CG PRO A 71 2.200 -6.350 -6.918 1.00 0.00 C ATOM 789 CD PRO A 71 2.576 -5.015 -7.535 1.00 0.00 C ATOM 0 HA PRO A 71 4.671 -5.277 -5.018 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.537 -7.667 -5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.710 -6.506 -4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.237 -7.141 -7.668 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.180 -6.320 -6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.748 -5.109 -8.607 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.782 -4.280 -7.403 1.00 0.00 H new ATOM 797 N ASP A 72 6.636 -6.333 -5.827 1.00 0.00 N ATOM 798 CA ASP A 72 7.885 -6.914 -6.291 1.00 0.00 C ATOM 799 C ASP A 72 8.379 -7.937 -5.269 1.00 0.00 C ATOM 800 O ASP A 72 8.118 -7.801 -4.074 1.00 0.00 O ATOM 801 CB ASP A 72 8.966 -5.843 -6.449 1.00 0.00 C ATOM 802 CG ASP A 72 9.814 -5.959 -7.717 1.00 0.00 C ATOM 803 OD1 ASP A 72 9.209 -5.917 -8.810 1.00 0.00 O ATOM 804 OD2 ASP A 72 11.047 -6.089 -7.564 1.00 0.00 O ATOM 0 H ASP A 72 6.664 -5.967 -4.875 1.00 0.00 H new ATOM 0 HA ASP A 72 7.699 -7.384 -7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.489 -4.863 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.627 -5.886 -5.583 1.00 0.00 H new ATOM 809 N LYS A 73 9.082 -8.940 -5.773 1.00 0.00 N ATOM 810 CA LYS A 73 9.615 -9.985 -4.917 1.00 0.00 C ATOM 811 C LYS A 73 10.415 -9.350 -3.778 1.00 0.00 C ATOM 812 O LYS A 73 10.506 -9.913 -2.689 1.00 0.00 O ATOM 813 CB LYS A 73 10.416 -10.996 -5.740 1.00 0.00 C ATOM 814 CG LYS A 73 11.671 -10.351 -6.330 1.00 0.00 C ATOM 815 CD LYS A 73 12.311 -11.258 -7.384 1.00 0.00 C ATOM 816 CE LYS A 73 13.816 -11.000 -7.489 1.00 0.00 C ATOM 817 NZ LYS A 73 14.411 -11.832 -8.559 1.00 0.00 N ATOM 0 H LYS A 73 9.295 -9.051 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 73 8.803 -10.551 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.698 -11.840 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.794 -11.391 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.414 -9.391 -6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.389 -10.149 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.135 -12.302 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.840 -11.085 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.997 -9.945 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.297 -11.224 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.432 -11.645 -8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.255 -12.838 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.964 -11.599 -9.469 1.00 0.00 H new ATOM 831 N ARG A 74 10.974 -8.185 -4.069 1.00 0.00 N ATOM 832 CA ARG A 74 11.762 -7.466 -3.084 1.00 0.00 C ATOM 833 C ARG A 74 10.847 -6.733 -2.101 1.00 0.00 C ATOM 834 O ARG A 74 10.811 -7.060 -0.917 1.00 0.00 O ATOM 835 CB ARG A 74 12.694 -6.453 -3.754 1.00 0.00 C ATOM 836 CG ARG A 74 13.952 -7.138 -4.291 1.00 0.00 C ATOM 837 CD ARG A 74 15.132 -6.164 -4.330 1.00 0.00 C ATOM 838 NE ARG A 74 16.394 -6.884 -4.050 1.00 0.00 N ATOM 839 CZ ARG A 74 17.614 -6.352 -4.207 1.00 0.00 C ATOM 840 NH1 ARG A 74 17.744 -5.092 -4.641 1.00 0.00 N ATOM 841 NH2 ARG A 74 18.703 -7.081 -3.927 1.00 0.00 N ATOM 0 H ARG A 74 10.896 -7.721 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 74 12.365 -8.198 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.170 -5.955 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.974 -5.681 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.202 -7.993 -3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.761 -7.524 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.186 -5.685 -5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.985 -5.372 -3.595 1.00 0.00 H new ATOM 0 HE ARG A 74 16.331 -7.846 -3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.915 -4.537 -4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.672 -4.687 -4.761 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.603 -8.040 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.632 -6.677 -4.046 1.00 0.00 H new ATOM 855 N LYS A 75 10.127 -5.754 -2.632 1.00 0.00 N ATOM 856 CA LYS A 75 9.211 -4.972 -1.817 1.00 0.00 C ATOM 857 C LYS A 75 8.085 -4.431 -2.700 1.00 0.00 C ATOM 858 O LYS A 75 7.916 -4.871 -3.836 1.00 0.00 O ATOM 859 CB LYS A 75 9.971 -3.886 -1.053 1.00 0.00 C ATOM 860 CG LYS A 75 10.546 -2.841 -2.011 1.00 0.00 C ATOM 861 CD LYS A 75 12.074 -2.817 -1.944 1.00 0.00 C ATOM 862 CE LYS A 75 12.660 -1.995 -3.093 1.00 0.00 C ATOM 863 NZ LYS A 75 12.785 -2.826 -4.312 1.00 0.00 N ATOM 0 H LYS A 75 10.159 -5.485 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 75 8.745 -5.599 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.303 -3.402 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.778 -4.339 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.227 -3.062 -3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.152 -1.856 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.393 -2.396 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.460 -3.836 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.022 -1.135 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.638 -1.606 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.184 -2.254 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.412 -3.633 -4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.846 -3.176 -4.591 1.00 0.00 H new ATOM 877 N ILE A 76 7.344 -3.484 -2.143 1.00 0.00 N ATOM 878 CA ILE A 76 6.239 -2.878 -2.865 1.00 0.00 C ATOM 879 C ILE A 76 6.292 -1.359 -2.690 1.00 0.00 C ATOM 880 O ILE A 76 6.881 -0.862 -1.733 1.00 0.00 O ATOM 881 CB ILE A 76 4.911 -3.501 -2.432 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.384 -2.836 -1.158 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.040 -5.016 -2.276 1.00 0.00 C ATOM 884 CD1 ILE A 76 2.959 -3.299 -0.847 1.00 0.00 C ATOM 0 H ILE A 76 7.488 -3.122 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 76 6.326 -3.079 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 76 4.177 -3.321 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.039 -3.076 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.401 -1.752 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.081 -5.433 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.338 -5.456 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.793 -5.241 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.608 -2.812 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.302 -3.036 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.950 -4.380 -0.706 1.00 0.00 H new ATOM 896 N LEU A 77 5.670 -0.664 -3.632 1.00 0.00 N ATOM 897 CA LEU A 77 5.640 0.788 -3.594 1.00 0.00 C ATOM 898 C LEU A 77 4.271 1.277 -4.072 1.00 0.00 C ATOM 899 O LEU A 77 3.593 0.589 -4.833 1.00 0.00 O ATOM 900 CB LEU A 77 6.812 1.369 -4.386 1.00 0.00 C ATOM 901 CG LEU A 77 7.416 0.457 -5.456 1.00 0.00 C ATOM 902 CD1 LEU A 77 8.090 -0.761 -4.821 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.364 0.056 -6.492 1.00 0.00 C ATOM 0 H LEU A 77 5.183 -1.080 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 77 5.768 1.146 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.479 2.289 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.599 1.643 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 77 8.190 1.014 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.511 -1.393 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.886 -0.430 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.354 -1.329 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.819 -0.592 -7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.551 -0.476 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.971 0.950 -6.976 1.00 0.00 H new ATOM 915 N VAL A 78 3.907 2.463 -3.606 1.00 0.00 N ATOM 916 CA VAL A 78 2.632 3.053 -3.977 1.00 0.00 C ATOM 917 C VAL A 78 2.847 4.514 -4.376 1.00 0.00 C ATOM 918 O VAL A 78 3.736 5.181 -3.847 1.00 0.00 O ATOM 919 CB VAL A 78 1.627 2.887 -2.835 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.203 2.740 -3.375 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.001 1.700 -1.944 1.00 0.00 C ATOM 0 H VAL A 78 4.473 3.031 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 78 2.211 2.539 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 78 1.662 3.789 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.491 2.624 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.063 3.629 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.147 1.863 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.271 1.604 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.008 0.787 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.991 1.863 -1.517 1.00 0.00 H new ATOM 931 N ASN A 79 2.019 4.969 -5.303 1.00 0.00 N ATOM 932 CA ASN A 79 2.108 6.340 -5.779 1.00 0.00 C ATOM 933 C ASN A 79 0.715 6.971 -5.766 1.00 0.00 C ATOM 934 O ASN A 79 -0.210 6.458 -6.395 1.00 0.00 O ATOM 935 CB ASN A 79 2.638 6.391 -7.213 1.00 0.00 C ATOM 936 CG ASN A 79 2.432 5.051 -7.922 1.00 0.00 C ATOM 937 OD1 ASN A 79 1.489 4.322 -7.667 1.00 0.00 O ATOM 938 ND2 ASN A 79 3.368 4.768 -8.825 1.00 0.00 N ATOM 0 H ASN A 79 1.283 4.413 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 79 2.790 6.882 -5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.128 7.181 -7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.699 6.642 -7.204 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.321 3.896 -9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.132 5.423 -8.990 1.00 0.00 H new ATOM 945 N THR A 80 0.607 8.076 -5.042 1.00 0.00 N ATOM 946 CA THR A 80 -0.658 8.782 -4.940 1.00 0.00 C ATOM 947 C THR A 80 -0.662 10.007 -5.858 1.00 0.00 C ATOM 948 O THR A 80 0.368 10.654 -6.038 1.00 0.00 O ATOM 949 CB THR A 80 -0.888 9.127 -3.466 1.00 0.00 C ATOM 950 OG1 THR A 80 0.280 9.851 -3.091 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.864 7.890 -2.565 1.00 0.00 C ATOM 0 H THR A 80 1.375 8.499 -4.521 1.00 0.00 H new ATOM 0 HA THR A 80 -1.487 8.160 -5.278 1.00 0.00 H new ATOM 0 HB THR A 80 -1.845 9.637 -3.359 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.213 10.115 -2.150 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.032 8.190 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.648 7.199 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.105 7.399 -2.647 1.00 0.00 H new ATOM 959 N GLY A 81 -1.831 10.287 -6.413 1.00 0.00 N ATOM 960 CA GLY A 81 -1.982 11.421 -7.308 1.00 0.00 C ATOM 961 C GLY A 81 -2.168 12.720 -6.520 1.00 0.00 C ATOM 962 O GLY A 81 -1.192 13.346 -6.108 1.00 0.00 O ATOM 0 H GLY A 81 -2.683 9.748 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.104 11.503 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.840 11.262 -7.961 1.00 0.00 H new ATOM 966 N ASP A 82 -3.429 13.086 -6.333 1.00 0.00 N ATOM 967 CA ASP A 82 -3.756 14.298 -5.601 1.00 0.00 C ATOM 968 C ASP A 82 -5.018 14.063 -4.771 1.00 0.00 C ATOM 969 O ASP A 82 -6.120 14.001 -5.313 1.00 0.00 O ATOM 970 CB ASP A 82 -4.029 15.461 -6.558 1.00 0.00 C ATOM 971 CG ASP A 82 -3.726 16.850 -5.990 1.00 0.00 C ATOM 972 OD1 ASP A 82 -2.538 17.237 -6.040 1.00 0.00 O ATOM 973 OD2 ASP A 82 -4.689 17.492 -5.519 1.00 0.00 O ATOM 0 H ASP A 82 -4.236 12.564 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.908 14.546 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.435 15.316 -7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.077 15.428 -6.857 1.00 0.00 H new ATOM 978 N TYR A 83 -4.815 13.937 -3.468 1.00 0.00 N ATOM 979 CA TYR A 83 -5.925 13.709 -2.555 1.00 0.00 C ATOM 980 C TYR A 83 -6.951 14.840 -2.650 1.00 0.00 C ATOM 981 O TYR A 83 -6.621 15.950 -3.062 1.00 0.00 O ATOM 982 CB TYR A 83 -5.319 13.700 -1.150 1.00 0.00 C ATOM 983 CG TYR A 83 -4.724 12.352 -0.739 1.00 0.00 C ATOM 984 CD1 TYR A 83 -4.299 11.461 -1.703 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.612 12.026 0.598 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.739 10.192 -1.316 1.00 0.00 C ATOM 987 CE2 TYR A 83 -4.052 10.758 0.986 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.643 9.904 0.010 1.00 0.00 C ATOM 989 OH TYR A 83 -3.115 8.706 0.377 1.00 0.00 O ATOM 0 H TYR A 83 -3.899 13.988 -3.022 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.436 12.777 -2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.541 14.461 -1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.089 13.980 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.386 11.716 -2.749 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.945 12.723 1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.403 9.486 -2.061 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.959 10.491 2.028 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.108 8.637 1.355 1.00 0.00 H new ATOM 1044 N ASP A 88 -10.692 14.952 4.421 1.00 0.00 N ATOM 1045 CA ASP A 88 -9.675 15.106 5.447 1.00 0.00 C ATOM 1046 C ASP A 88 -8.447 14.276 5.071 1.00 0.00 C ATOM 1047 O ASP A 88 -8.447 13.056 5.225 1.00 0.00 O ATOM 1048 CB ASP A 88 -10.181 14.613 6.803 1.00 0.00 C ATOM 1049 CG ASP A 88 -11.071 15.600 7.560 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -12.299 15.546 7.335 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -10.503 16.389 8.347 1.00 0.00 O ATOM 0 HA ASP A 88 -9.427 16.165 5.518 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.737 13.688 6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.322 14.369 7.428 1.00 0.00 H new ATOM 1056 N LYS A 89 -7.429 14.970 4.582 1.00 0.00 N ATOM 1057 CA LYS A 89 -6.198 14.312 4.182 1.00 0.00 C ATOM 1058 C LYS A 89 -5.737 13.377 5.301 1.00 0.00 C ATOM 1059 O LYS A 89 -5.079 12.369 5.043 1.00 0.00 O ATOM 1060 CB LYS A 89 -5.144 15.345 3.773 1.00 0.00 C ATOM 1061 CG LYS A 89 -5.414 15.872 2.362 1.00 0.00 C ATOM 1062 CD LYS A 89 -4.864 17.290 2.192 1.00 0.00 C ATOM 1063 CE LYS A 89 -4.190 17.456 0.830 1.00 0.00 C ATOM 1064 NZ LYS A 89 -5.204 17.648 -0.231 1.00 0.00 N ATOM 0 H LYS A 89 -7.432 15.982 4.454 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.367 13.696 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.147 16.173 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.152 14.894 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.955 15.210 1.628 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.486 15.868 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.674 18.013 2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.147 17.504 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.514 18.311 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.585 16.577 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.729 17.759 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.833 16.820 -0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.764 18.500 -0.026 1.00 0.00 H new ATOM 1078 N LEU A 90 -6.101 13.742 6.522 1.00 0.00 N ATOM 1079 CA LEU A 90 -5.732 12.948 7.683 1.00 0.00 C ATOM 1080 C LEU A 90 -6.629 11.710 7.751 1.00 0.00 C ATOM 1081 O LEU A 90 -6.175 10.631 8.132 1.00 0.00 O ATOM 1082 CB LEU A 90 -5.768 13.803 8.950 1.00 0.00 C ATOM 1083 CG LEU A 90 -4.454 14.483 9.338 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -4.609 16.003 9.369 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -3.923 13.933 10.664 1.00 0.00 C ATOM 0 H LEU A 90 -6.648 14.577 6.733 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.704 12.595 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.529 14.573 8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.087 13.173 9.780 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.712 14.253 8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.659 16.460 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.907 16.359 8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.371 16.276 10.099 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.988 14.433 10.917 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.655 14.112 11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.747 12.861 10.569 1.00 0.00 H new ATOM 1097 N ALA A 91 -7.884 11.905 7.377 1.00 0.00 N ATOM 1098 CA ALA A 91 -8.848 10.817 7.394 1.00 0.00 C ATOM 1099 C ALA A 91 -8.489 9.809 6.300 1.00 0.00 C ATOM 1100 O ALA A 91 -8.377 8.613 6.566 1.00 0.00 O ATOM 1101 CB ALA A 91 -10.260 11.383 7.224 1.00 0.00 C ATOM 0 H ALA A 91 -8.257 12.800 7.060 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.820 10.293 8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.983 10.567 7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.476 12.072 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.328 11.913 6.274 1.00 0.00 H new ATOM 1107 N VAL A 92 -8.319 10.328 5.093 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.974 9.489 3.958 1.00 0.00 C ATOM 1109 C VAL A 92 -6.683 8.728 4.266 1.00 0.00 C ATOM 1110 O VAL A 92 -6.634 7.504 4.142 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.879 10.337 2.689 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -9.226 10.986 2.362 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.778 11.391 2.814 1.00 0.00 C ATOM 0 H VAL A 92 -8.414 11.320 4.876 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.754 8.749 3.780 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.616 9.676 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.131 11.584 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.976 10.210 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.531 11.627 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.732 11.980 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.996 12.047 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.819 10.898 2.977 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.669 9.481 4.662 1.00 0.00 N ATOM 1124 CA VAL A 93 -4.381 8.893 4.990 1.00 0.00 C ATOM 1125 C VAL A 93 -4.573 7.821 6.064 1.00 0.00 C ATOM 1126 O VAL A 93 -3.948 6.762 6.007 1.00 0.00 O ATOM 1127 CB VAL A 93 -3.396 9.988 5.406 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -2.280 9.416 6.283 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.821 10.703 4.182 1.00 0.00 C ATOM 0 H VAL A 93 -5.713 10.495 4.764 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.951 8.403 4.116 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.942 10.724 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.594 10.214 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.713 8.975 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.738 8.650 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.124 11.476 4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.297 9.983 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.631 11.160 3.614 1.00 0.00 H new ATOM 1139 N ARG A 94 -5.439 8.132 7.017 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.721 7.208 8.102 1.00 0.00 C ATOM 1141 C ARG A 94 -6.334 5.918 7.555 1.00 0.00 C ATOM 1142 O ARG A 94 -6.111 4.839 8.103 1.00 0.00 O ATOM 1143 CB ARG A 94 -6.680 7.829 9.119 1.00 0.00 C ATOM 1144 CG ARG A 94 -5.952 8.831 10.018 1.00 0.00 C ATOM 1145 CD ARG A 94 -5.559 8.187 11.351 1.00 0.00 C ATOM 1146 NE ARG A 94 -5.202 9.234 12.334 1.00 0.00 N ATOM 1147 CZ ARG A 94 -6.100 9.964 13.011 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -7.411 9.765 12.816 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -5.685 10.893 13.883 1.00 0.00 N ATOM 0 H ARG A 94 -5.955 9.011 7.060 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.778 6.983 8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.496 8.329 8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.126 7.044 9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.060 9.199 9.511 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.593 9.693 10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.385 7.586 11.731 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.716 7.512 11.204 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.213 9.411 12.507 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.726 9.058 12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.093 10.321 13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.687 11.044 14.031 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.367 11.449 14.399 1.00 0.00 H new ATOM 1163 N THR A 95 -7.095 6.071 6.482 1.00 0.00 N ATOM 1164 CA THR A 95 -7.743 4.930 5.855 1.00 0.00 C ATOM 1165 C THR A 95 -6.790 4.253 4.868 1.00 0.00 C ATOM 1166 O THR A 95 -6.744 3.027 4.788 1.00 0.00 O ATOM 1167 CB THR A 95 -9.040 5.422 5.208 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.909 5.662 6.311 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.746 4.325 4.408 1.00 0.00 C ATOM 0 H THR A 95 -7.278 6.967 6.030 1.00 0.00 H new ATOM 0 HA THR A 95 -7.998 4.165 6.589 1.00 0.00 H new ATOM 0 HB THR A 95 -8.823 6.266 4.554 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.773 5.986 5.982 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.660 4.725 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.087 3.972 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.994 3.495 5.069 1.00 0.00 H new ATOM 1177 N TYR A 96 -6.053 5.082 4.142 1.00 0.00 N ATOM 1178 CA TYR A 96 -5.104 4.576 3.165 1.00 0.00 C ATOM 1179 C TYR A 96 -3.974 3.804 3.846 1.00 0.00 C ATOM 1180 O TYR A 96 -3.557 2.752 3.365 1.00 0.00 O ATOM 1181 CB TYR A 96 -4.519 5.809 2.471 1.00 0.00 C ATOM 1182 CG TYR A 96 -3.289 5.512 1.611 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.030 5.534 2.176 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -3.437 5.223 0.269 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -0.871 5.256 1.368 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -2.279 4.945 -0.539 1.00 0.00 C ATOM 1187 CZ TYR A 96 -1.053 4.975 0.049 1.00 0.00 C ATOM 1188 OH TYR A 96 0.041 4.711 -0.714 1.00 0.00 O ATOM 0 H TYR A 96 -6.094 6.099 4.211 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.595 3.896 2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.288 6.260 1.844 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.252 6.547 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.914 5.760 3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.422 5.206 -0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.119 5.270 1.799 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.381 4.717 -1.590 1.00 0.00 H new ATOM 0 HH TYR A 96 0.334 3.789 -0.558 1.00 0.00 H new ATOM 1198 N ASN A 97 -3.507 4.357 4.956 1.00 0.00 N ATOM 1199 CA ASN A 97 -2.432 3.733 5.709 1.00 0.00 C ATOM 1200 C ASN A 97 -2.903 2.374 6.233 1.00 0.00 C ATOM 1201 O ASN A 97 -2.151 1.402 6.209 1.00 0.00 O ATOM 1202 CB ASN A 97 -2.033 4.590 6.912 1.00 0.00 C ATOM 1203 CG ASN A 97 -0.783 5.419 6.603 1.00 0.00 C ATOM 1204 OD1 ASN A 97 0.246 5.298 7.245 1.00 0.00 O ATOM 1205 ND2 ASN A 97 -0.934 6.265 5.588 1.00 0.00 N ATOM 0 H ASN A 97 -3.854 5.231 5.352 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.575 3.622 5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.856 5.252 7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.845 3.949 7.774 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.159 6.864 5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.825 6.315 5.094 1.00 0.00 H new ATOM 1212 N ASP A 98 -4.146 2.352 6.692 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.726 1.128 7.220 1.00 0.00 C ATOM 1214 C ASP A 98 -4.722 0.055 6.129 1.00 0.00 C ATOM 1215 O ASP A 98 -4.517 -1.124 6.415 1.00 0.00 O ATOM 1216 CB ASP A 98 -6.175 1.352 7.659 1.00 0.00 C ATOM 1217 CG ASP A 98 -6.692 0.363 8.705 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -6.208 -0.790 8.687 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -7.560 0.783 9.502 1.00 0.00 O ATOM 0 H ASP A 98 -4.767 3.161 6.709 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.133 0.815 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.266 2.362 8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.818 1.298 6.780 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.950 0.502 4.903 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.974 -0.405 3.769 1.00 0.00 C ATOM 1226 C PHE A 99 -3.560 -0.846 3.387 1.00 0.00 C ATOM 1227 O PHE A 99 -3.309 -2.032 3.181 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.591 0.360 2.596 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.415 -0.329 1.240 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -4.199 -0.334 0.633 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -6.477 -0.935 0.644 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -4.036 -0.973 -0.623 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -6.313 -1.575 -0.613 1.00 0.00 C ATOM 1234 CZ PHE A 99 -5.097 -1.581 -1.220 1.00 0.00 C ATOM 0 H PHE A 99 -5.120 1.481 4.670 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.548 -1.297 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.655 0.499 2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.144 1.353 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.357 0.148 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.443 -0.929 1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.070 -0.977 -1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.155 -2.057 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.973 -2.068 -2.176 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.672 0.134 3.303 1.00 0.00 N ATOM 1245 CA ILE A 100 -1.289 -0.138 2.951 1.00 0.00 C ATOM 1246 C ILE A 100 -0.636 -0.961 4.062 1.00 0.00 C ATOM 1247 O ILE A 100 -0.005 -1.983 3.794 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.551 1.165 2.636 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -1.098 1.812 1.362 1.00 0.00 C ATOM 1250 CG2 ILE A 100 0.959 0.935 2.559 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.890 0.900 0.152 1.00 0.00 C ATOM 0 H ILE A 100 -2.884 1.117 3.473 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.238 -0.735 2.041 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.729 1.864 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.160 2.023 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.600 2.767 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.459 1.877 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.318 0.553 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.177 0.211 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.288 1.383 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.175 0.710 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.409 -0.045 0.315 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.809 -0.487 5.287 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.245 -1.167 6.440 1.00 0.00 C ATOM 1265 C GLU A 101 -0.615 -2.652 6.414 1.00 0.00 C ATOM 1266 O GLU A 101 0.146 -3.493 6.889 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.702 -0.510 7.743 1.00 0.00 C ATOM 1268 CG GLU A 101 0.050 0.800 7.991 1.00 0.00 C ATOM 1269 CD GLU A 101 -0.407 1.457 9.294 1.00 0.00 C ATOM 1270 OE1 GLU A 101 0.077 1.007 10.355 1.00 0.00 O ATOM 1271 OE2 GLU A 101 -1.230 2.393 9.201 1.00 0.00 O ATOM 0 H GLU A 101 -1.332 0.361 5.506 1.00 0.00 H new ATOM 0 HA GLU A 101 0.841 -1.082 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.774 -0.316 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.535 -1.192 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.122 0.606 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.117 1.482 7.158 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.784 -2.927 5.856 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.265 -4.295 5.762 1.00 0.00 C ATOM 1280 C LYS A 102 -1.651 -4.964 4.531 1.00 0.00 C ATOM 1281 O LYS A 102 -1.527 -6.188 4.481 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.794 -4.328 5.782 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.313 -4.876 7.112 1.00 0.00 C ATOM 1284 CD LYS A 102 -3.968 -6.358 7.269 1.00 0.00 C ATOM 1285 CE LYS A 102 -4.319 -6.859 8.671 1.00 0.00 C ATOM 1286 NZ LYS A 102 -3.362 -6.323 9.667 1.00 0.00 N ATOM 0 H LYS A 102 -2.413 -2.226 5.464 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.946 -4.871 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.185 -3.323 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.159 -4.947 4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.880 -4.309 7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.393 -4.743 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.510 -6.942 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.905 -6.509 7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.333 -6.553 8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.301 -7.949 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.472 -6.836 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.391 -6.444 9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.551 -5.312 9.821 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.282 -4.132 3.568 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.685 -4.628 2.340 1.00 0.00 C ATOM 1302 C LEU A 103 0.835 -4.694 2.508 1.00 0.00 C ATOM 1303 O LEU A 103 1.526 -5.312 1.699 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.135 -3.785 1.146 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.071 -4.474 0.152 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.432 -4.761 0.789 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.204 -3.656 -1.135 1.00 0.00 C ATOM 0 H LEU A 103 -1.385 -3.118 3.613 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.028 -5.641 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.633 -2.892 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.248 -3.451 0.608 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.632 -5.434 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.078 -5.251 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.299 -5.412 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.889 -3.824 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.875 -4.169 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.608 -2.671 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.224 -3.545 -1.598 1.00 0.00 H new ATOM 1319 N THR A 104 1.310 -4.050 3.564 1.00 0.00 N ATOM 1320 CA THR A 104 2.735 -4.027 3.848 1.00 0.00 C ATOM 1321 C THR A 104 3.038 -4.831 5.114 1.00 0.00 C ATOM 1322 O THR A 104 4.089 -5.460 5.216 1.00 0.00 O ATOM 1323 CB THR A 104 3.177 -2.566 3.934 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.284 -1.989 4.882 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.900 -1.792 2.643 1.00 0.00 C ATOM 0 H THR A 104 0.733 -3.540 4.233 1.00 0.00 H new ATOM 0 HA THR A 104 3.305 -4.506 3.052 1.00 0.00 H new ATOM 0 HB THR A 104 4.242 -2.522 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.420 -1.816 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.233 -0.761 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.439 -2.257 1.817 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.831 -1.807 2.432 1.00 0.00 H new ATOM 1333 N GLY A 105 2.099 -4.781 6.047 1.00 0.00 N ATOM 1334 CA GLY A 105 2.252 -5.495 7.303 1.00 0.00 C ATOM 1335 C GLY A 105 3.412 -4.924 8.120 1.00 0.00 C ATOM 1336 O GLY A 105 3.808 -5.503 9.131 1.00 0.00 O ATOM 0 H GLY A 105 1.229 -4.257 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.329 -5.427 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.428 -6.552 7.105 1.00 0.00 H new ATOM 1340 N TYR A 106 3.926 -3.797 7.651 1.00 0.00 N ATOM 1341 CA TYR A 106 5.033 -3.142 8.325 1.00 0.00 C ATOM 1342 C TYR A 106 4.592 -1.813 8.941 1.00 0.00 C ATOM 1343 O TYR A 106 4.015 -0.969 8.257 1.00 0.00 O ATOM 1344 CB TYR A 106 6.082 -2.866 7.246 1.00 0.00 C ATOM 1345 CG TYR A 106 7.220 -3.888 7.209 1.00 0.00 C ATOM 1346 CD1 TYR A 106 7.091 -5.039 6.460 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.377 -3.657 7.925 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.161 -6.000 6.426 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.449 -4.619 7.890 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.288 -5.743 7.143 1.00 0.00 C ATOM 1351 OH TYR A 106 10.301 -6.651 7.110 1.00 0.00 O ATOM 0 H TYR A 106 3.596 -3.321 6.812 1.00 0.00 H new ATOM 0 HA TYR A 106 5.416 -3.770 9.130 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.591 -2.848 6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.503 -1.874 7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.186 -5.219 5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.479 -2.756 8.511 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.071 -6.905 5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.360 -4.451 8.445 1.00 0.00 H new ATOM 0 HH TYR A 106 11.042 -6.335 7.668 1.00 0.00 H new