USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 862 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -1.17 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.539 USER MOD Single : A 27 HIS : no HD1:sc= -0.0495 X(o=-0.05,f=-0.21) USER MOD Single : A 30 THR OG1 : rot 15:sc= 0.637! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.904 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.23) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 0.11 (180deg=0.0489) USER MOD Single : A 70 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.74) USER MOD Single : A 71 SER OG : rot -1:sc= 0.144 USER MOD Single : A 74 SER OG : rot 131:sc= 0.137 USER MOD Single : A 80 THR OG1 : rot -89:sc= -1.82 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.017) USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= -0.343 (180deg=-0.352) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -150:sc= -0.305 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -0.654 0.731 14.341 1.00 0.00 N ATOM 21 CA LYS A 2 -0.030 0.271 13.103 1.00 0.00 C ATOM 22 C LYS A 2 -1.066 -0.292 12.135 1.00 0.00 C ATOM 23 O LYS A 2 -1.460 -1.454 12.237 1.00 0.00 O ATOM 24 CB LYS A 2 1.030 -0.788 13.409 1.00 0.00 C ATOM 25 CG LYS A 2 1.979 -0.396 14.531 1.00 0.00 C ATOM 26 CD LYS A 2 3.336 0.029 13.993 1.00 0.00 C ATOM 27 CE LYS A 2 4.217 0.602 15.092 1.00 0.00 C ATOM 28 NZ LYS A 2 4.636 -0.441 16.069 1.00 0.00 N ATOM 0 HA LYS A 2 0.445 1.129 12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.533 -1.721 13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.609 -0.981 12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.544 0.420 15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.104 -1.237 15.213 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.832 -0.828 13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.201 0.774 13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.101 1.059 14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.678 1.393 15.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.235 -0.010 16.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.794 -0.860 16.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.172 -1.183 15.576 1.00 0.00 H new ATOM 42 N ARG A 3 -1.502 0.541 11.193 1.00 0.00 N ATOM 43 CA ARG A 3 -2.491 0.131 10.198 1.00 0.00 C ATOM 44 C ARG A 3 -1.923 0.290 8.791 1.00 0.00 C ATOM 45 O ARG A 3 -1.237 1.269 8.502 1.00 0.00 O ATOM 46 CB ARG A 3 -3.775 0.964 10.328 1.00 0.00 C ATOM 47 CG ARG A 3 -3.923 1.678 11.663 1.00 0.00 C ATOM 48 CD ARG A 3 -3.776 0.718 12.832 1.00 0.00 C ATOM 49 NE ARG A 3 -4.891 0.821 13.771 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.111 -0.041 14.759 1.00 0.00 C ATOM 51 NH1 ARG A 3 -4.297 -1.074 14.942 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.147 0.128 15.569 1.00 0.00 N ATOM 0 H ARG A 3 -1.186 1.506 11.097 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.732 -0.917 10.375 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.797 1.704 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.635 0.311 10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.172 2.464 11.741 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.898 2.163 11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.712 -0.303 12.456 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.842 0.924 13.355 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.539 1.601 13.662 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.498 -1.209 14.323 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.471 -1.732 15.702 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.776 0.920 15.434 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.315 -0.534 16.327 1.00 0.00 H new ATOM 66 N VAL A 4 -2.209 -0.664 7.913 1.00 0.00 N ATOM 67 CA VAL A 4 -1.714 -0.594 6.542 1.00 0.00 C ATOM 68 C VAL A 4 -2.849 -0.784 5.543 1.00 0.00 C ATOM 69 O VAL A 4 -3.893 -1.343 5.875 1.00 0.00 O ATOM 70 CB VAL A 4 -0.614 -1.642 6.284 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.027 -1.418 4.924 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.435 -1.596 7.385 1.00 0.00 C ATOM 0 H VAL A 4 -2.775 -1.487 8.121 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.283 0.398 6.406 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.072 -2.631 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.801 -2.167 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.732 -1.503 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.472 -0.423 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.204 -2.343 7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.890 -0.606 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.036 -1.807 8.345 1.00 0.00 H new ATOM 82 N LEU A 5 -2.643 -0.309 4.319 1.00 0.00 N ATOM 83 CA LEU A 5 -3.658 -0.424 3.278 1.00 0.00 C ATOM 84 C LEU A 5 -3.162 -1.280 2.121 1.00 0.00 C ATOM 85 O LEU A 5 -2.056 -1.086 1.619 1.00 0.00 O ATOM 86 CB LEU A 5 -4.056 0.962 2.762 1.00 0.00 C ATOM 87 CG LEU A 5 -5.360 0.998 1.963 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.497 0.411 2.782 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.688 2.419 1.531 1.00 0.00 C ATOM 0 H LEU A 5 -1.785 0.158 4.024 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.531 -0.907 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.148 1.638 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.251 1.346 2.135 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.231 0.393 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.419 0.443 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.265 -0.623 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.624 0.991 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.619 2.421 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.798 3.051 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.882 2.805 0.906 1.00 0.00 H new ATOM 101 N VAL A 6 -3.991 -2.228 1.700 1.00 0.00 N ATOM 102 CA VAL A 6 -3.641 -3.116 0.598 1.00 0.00 C ATOM 103 C VAL A 6 -4.574 -2.915 -0.589 1.00 0.00 C ATOM 104 O VAL A 6 -5.605 -3.580 -0.703 1.00 0.00 O ATOM 105 CB VAL A 6 -3.694 -4.592 1.026 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.168 -5.487 -0.084 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.911 -4.800 2.312 1.00 0.00 C ATOM 0 H VAL A 6 -4.911 -2.402 2.105 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.622 -2.865 0.305 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.733 -4.863 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.213 -6.528 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.778 -5.355 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.135 -5.220 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.959 -5.850 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.871 -4.514 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.341 -4.186 3.103 1.00 0.00 H new ATOM 117 N VAL A 7 -4.206 -2.000 -1.478 1.00 0.00 N ATOM 118 CA VAL A 7 -5.013 -1.722 -2.659 1.00 0.00 C ATOM 119 C VAL A 7 -4.715 -2.726 -3.765 1.00 0.00 C ATOM 120 O VAL A 7 -3.688 -2.636 -4.438 1.00 0.00 O ATOM 121 CB VAL A 7 -4.770 -0.295 -3.190 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.753 0.036 -4.303 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.869 0.719 -2.061 1.00 0.00 C ATOM 0 H VAL A 7 -3.357 -1.440 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.057 -1.809 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.762 -0.247 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.566 1.047 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.627 -0.672 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.772 -0.030 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.695 1.720 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.863 0.672 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.120 0.492 -1.302 1.00 0.00 H new ATOM 133 N ASP A 8 -5.618 -3.685 -3.943 1.00 0.00 N ATOM 134 CA ASP A 8 -5.451 -4.710 -4.963 1.00 0.00 C ATOM 135 C ASP A 8 -6.743 -4.906 -5.750 1.00 0.00 C ATOM 136 O ASP A 8 -7.831 -4.933 -5.176 1.00 0.00 O ATOM 137 CB ASP A 8 -5.021 -6.030 -4.319 1.00 0.00 C ATOM 138 CG ASP A 8 -4.810 -7.133 -5.339 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.444 -6.816 -6.489 1.00 0.00 O ATOM 140 OD2 ASP A 8 -5.010 -8.315 -4.985 1.00 0.00 O ATOM 0 H ASP A 8 -6.473 -3.772 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.674 -4.383 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.098 -5.874 -3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.779 -6.344 -3.601 1.00 0.00 H new ATOM 145 N ASP A 9 -6.616 -5.041 -7.065 1.00 0.00 N ATOM 146 CA ASP A 9 -7.774 -5.233 -7.931 1.00 0.00 C ATOM 147 C ASP A 9 -8.121 -6.714 -8.062 1.00 0.00 C ATOM 148 O ASP A 9 -8.318 -7.221 -9.167 1.00 0.00 O ATOM 149 CB ASP A 9 -7.507 -4.631 -9.312 1.00 0.00 C ATOM 150 CG ASP A 9 -8.711 -4.728 -10.228 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.616 -3.874 -10.113 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.750 -5.658 -11.061 1.00 0.00 O ATOM 0 H ASP A 9 -5.722 -5.021 -7.556 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.624 -4.723 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.222 -3.585 -9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.662 -5.144 -9.772 1.00 0.00 H new ATOM 157 N GLU A 10 -8.195 -7.403 -6.928 1.00 0.00 N ATOM 158 CA GLU A 10 -8.519 -8.825 -6.914 1.00 0.00 C ATOM 159 C GLU A 10 -8.562 -9.358 -5.485 1.00 0.00 C ATOM 160 O GLU A 10 -8.323 -8.621 -4.528 1.00 0.00 O ATOM 161 CB GLU A 10 -7.495 -9.612 -7.735 1.00 0.00 C ATOM 162 CG GLU A 10 -8.120 -10.636 -8.669 1.00 0.00 C ATOM 163 CD GLU A 10 -7.920 -12.061 -8.190 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.829 -12.620 -8.427 1.00 0.00 O ATOM 165 OE2 GLU A 10 -8.857 -12.617 -7.579 1.00 0.00 O ATOM 0 H GLU A 10 -8.035 -6.999 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.505 -8.952 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.899 -8.914 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.812 -10.122 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.187 -10.434 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.687 -10.527 -9.664 1.00 0.00 H new ATOM 217 N THR A 14 -5.058 -9.847 -0.228 1.00 0.00 N ATOM 218 CA THR A 14 -5.790 -9.431 0.964 1.00 0.00 C ATOM 219 C THR A 14 -6.154 -10.628 1.842 1.00 0.00 C ATOM 220 O THR A 14 -6.492 -10.464 3.015 1.00 0.00 O ATOM 221 CB THR A 14 -7.061 -8.674 0.568 1.00 0.00 C ATOM 222 OG1 THR A 14 -8.070 -9.576 0.147 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.842 -7.677 -0.550 1.00 0.00 C ATOM 0 HA THR A 14 -5.140 -8.772 1.539 1.00 0.00 H new ATOM 0 HB THR A 14 -7.364 -8.130 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.875 -9.074 -0.100 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.782 -7.176 -0.780 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.104 -6.938 -0.239 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.482 -8.198 -1.437 1.00 0.00 H new ATOM 231 N SER A 15 -6.089 -11.828 1.274 1.00 0.00 N ATOM 232 CA SER A 15 -6.418 -13.041 2.014 1.00 0.00 C ATOM 233 C SER A 15 -5.251 -13.483 2.894 1.00 0.00 C ATOM 234 O SER A 15 -5.444 -13.866 4.048 1.00 0.00 O ATOM 235 CB SER A 15 -6.795 -14.166 1.048 1.00 0.00 C ATOM 236 OG SER A 15 -8.191 -14.180 0.802 1.00 0.00 O ATOM 0 H SER A 15 -5.812 -11.986 0.305 1.00 0.00 H new ATOM 0 HA SER A 15 -7.269 -12.820 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.258 -14.038 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.486 -15.125 1.463 1.00 0.00 H new ATOM 0 HG SER A 15 -8.406 -14.907 0.181 1.00 0.00 H new ATOM 242 N SER A 16 -4.043 -13.432 2.342 1.00 0.00 N ATOM 243 CA SER A 16 -2.849 -13.835 3.079 1.00 0.00 C ATOM 244 C SER A 16 -2.135 -12.626 3.677 1.00 0.00 C ATOM 245 O SER A 16 -1.974 -12.528 4.894 1.00 0.00 O ATOM 246 CB SER A 16 -1.894 -14.601 2.160 1.00 0.00 C ATOM 247 OG SER A 16 -2.583 -15.150 1.050 1.00 0.00 O ATOM 0 H SER A 16 -3.864 -13.116 1.389 1.00 0.00 H new ATOM 0 HA SER A 16 -3.163 -14.485 3.896 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.108 -13.932 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.407 -15.399 2.721 1.00 0.00 H new ATOM 0 HG SER A 16 -1.950 -15.632 0.478 1.00 0.00 H new ATOM 253 N LEU A 17 -1.707 -11.708 2.814 1.00 0.00 N ATOM 254 CA LEU A 17 -1.005 -10.502 3.250 1.00 0.00 C ATOM 255 C LEU A 17 -1.727 -9.839 4.421 1.00 0.00 C ATOM 256 O LEU A 17 -1.117 -9.541 5.448 1.00 0.00 O ATOM 257 CB LEU A 17 -0.874 -9.522 2.077 1.00 0.00 C ATOM 258 CG LEU A 17 -0.172 -8.194 2.385 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.163 -7.182 2.935 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.990 -8.398 3.349 1.00 0.00 C ATOM 0 H LEU A 17 -1.834 -11.776 1.804 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.009 -10.787 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.331 -10.019 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.873 -9.303 1.699 1.00 0.00 H new ATOM 0 HG LEU A 17 0.236 -7.802 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.647 -6.246 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.948 -7.005 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.606 -7.569 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.469 -7.440 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.618 -8.820 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.715 -9.080 2.906 1.00 0.00 H new ATOM 272 N SER A 18 -3.028 -9.614 4.266 1.00 0.00 N ATOM 273 CA SER A 18 -3.822 -8.991 5.320 1.00 0.00 C ATOM 274 C SER A 18 -3.715 -9.790 6.615 1.00 0.00 C ATOM 275 O SER A 18 -3.455 -9.233 7.680 1.00 0.00 O ATOM 276 CB SER A 18 -5.287 -8.882 4.891 1.00 0.00 C ATOM 277 OG SER A 18 -5.967 -7.893 5.642 1.00 0.00 O ATOM 0 H SER A 18 -3.553 -9.852 3.425 1.00 0.00 H new ATOM 0 HA SER A 18 -3.431 -7.989 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.341 -8.638 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.780 -9.845 5.022 1.00 0.00 H new ATOM 0 HG SER A 18 -6.900 -7.842 5.347 1.00 0.00 H new ATOM 283 N ALA A 19 -3.909 -11.100 6.511 1.00 0.00 N ATOM 284 CA ALA A 19 -3.824 -11.979 7.671 1.00 0.00 C ATOM 285 C ALA A 19 -2.445 -11.891 8.312 1.00 0.00 C ATOM 286 O ALA A 19 -2.311 -11.899 9.535 1.00 0.00 O ATOM 287 CB ALA A 19 -4.129 -13.412 7.270 1.00 0.00 C ATOM 0 H ALA A 19 -4.126 -11.576 5.636 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.564 -11.655 8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.062 -14.057 8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.135 -13.467 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.409 -13.741 6.521 1.00 0.00 H new ATOM 293 N ILE A 20 -1.420 -11.803 7.471 1.00 0.00 N ATOM 294 CA ILE A 20 -0.044 -11.707 7.943 1.00 0.00 C ATOM 295 C ILE A 20 0.131 -10.504 8.860 1.00 0.00 C ATOM 296 O ILE A 20 0.381 -10.656 10.055 1.00 0.00 O ATOM 297 CB ILE A 20 0.946 -11.611 6.760 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.086 -12.970 6.079 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.304 -11.105 7.226 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.866 -12.916 4.784 1.00 0.00 C ATOM 0 H ILE A 20 -1.517 -11.796 6.456 1.00 0.00 H new ATOM 0 HA ILE A 20 0.174 -12.615 8.505 1.00 0.00 H new ATOM 0 HB ILE A 20 0.550 -10.896 6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.579 -13.662 6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.093 -13.372 5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.982 -11.047 6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.191 -10.115 7.669 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.712 -11.790 7.969 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.927 -13.916 4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.363 -12.250 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.871 -12.544 4.980 1.00 0.00 H new ATOM 312 N LEU A 21 -0.004 -9.306 8.299 1.00 0.00 N ATOM 313 CA LEU A 21 0.133 -8.082 9.077 1.00 0.00 C ATOM 314 C LEU A 21 -0.689 -8.170 10.359 1.00 0.00 C ATOM 315 O LEU A 21 -0.287 -7.669 11.408 1.00 0.00 O ATOM 316 CB LEU A 21 -0.316 -6.894 8.241 1.00 0.00 C ATOM 317 CG LEU A 21 0.536 -6.643 7.002 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.344 -6.506 5.776 1.00 0.00 C ATOM 319 CD2 LEU A 21 1.400 -5.408 7.195 1.00 0.00 C ATOM 0 H LEU A 21 -0.208 -9.158 7.311 1.00 0.00 H new ATOM 0 HA LEU A 21 1.180 -7.951 9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.349 -7.052 7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.303 -6.000 8.864 1.00 0.00 H new ATOM 0 HG LEU A 21 1.196 -7.497 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.279 -6.327 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.916 -7.423 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.029 -5.669 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.002 -5.242 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.762 -4.541 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.056 -5.553 8.053 1.00 0.00 H new ATOM 331 N GLU A 22 -1.841 -8.828 10.262 1.00 0.00 N ATOM 332 CA GLU A 22 -2.718 -9.002 11.412 1.00 0.00 C ATOM 333 C GLU A 22 -2.032 -9.834 12.491 1.00 0.00 C ATOM 334 O GLU A 22 -2.315 -9.681 13.678 1.00 0.00 O ATOM 335 CB GLU A 22 -4.026 -9.667 10.990 1.00 0.00 C ATOM 336 CG GLU A 22 -5.015 -8.711 10.343 1.00 0.00 C ATOM 337 CD GLU A 22 -6.368 -9.349 10.102 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.420 -10.394 9.419 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.378 -8.804 10.596 1.00 0.00 O ATOM 0 H GLU A 22 -2.187 -9.248 9.399 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.941 -8.017 11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.804 -10.474 10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.492 -10.121 11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.138 -7.835 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.608 -8.360 9.394 1.00 0.00 H new ATOM 346 N GLU A 23 -1.120 -10.709 12.070 1.00 0.00 N ATOM 347 CA GLU A 23 -0.389 -11.552 13.002 1.00 0.00 C ATOM 348 C GLU A 23 0.749 -10.762 13.641 1.00 0.00 C ATOM 349 O GLU A 23 1.073 -10.954 14.813 1.00 0.00 O ATOM 350 CB GLU A 23 0.155 -12.787 12.275 1.00 0.00 C ATOM 351 CG GLU A 23 1.245 -13.523 13.037 1.00 0.00 C ATOM 352 CD GLU A 23 1.053 -15.027 13.027 1.00 0.00 C ATOM 353 OE1 GLU A 23 0.164 -15.517 13.755 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.791 -15.714 12.289 1.00 0.00 O ATOM 0 H GLU A 23 -0.873 -10.849 11.090 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.066 -11.882 13.790 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.668 -13.475 12.084 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.547 -12.481 11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.214 -13.282 12.600 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.263 -13.170 14.068 1.00 0.00 H new ATOM 361 N GLU A 24 1.346 -9.870 12.858 1.00 0.00 N ATOM 362 CA GLU A 24 2.444 -9.043 13.344 1.00 0.00 C ATOM 363 C GLU A 24 1.936 -7.889 14.207 1.00 0.00 C ATOM 364 O GLU A 24 2.727 -7.134 14.773 1.00 0.00 O ATOM 365 CB GLU A 24 3.256 -8.498 12.171 1.00 0.00 C ATOM 366 CG GLU A 24 4.592 -9.197 11.982 1.00 0.00 C ATOM 367 CD GLU A 24 5.743 -8.432 12.604 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.652 -8.094 13.804 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.738 -8.173 11.894 1.00 0.00 O ATOM 0 H GLU A 24 1.088 -9.701 11.886 1.00 0.00 H new ATOM 0 HA GLU A 24 3.083 -9.672 13.963 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.671 -8.597 11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.431 -7.433 12.324 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.542 -10.193 12.422 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.782 -9.329 10.917 1.00 0.00 H new ATOM 376 N GLY A 25 0.616 -7.753 14.305 1.00 0.00 N ATOM 377 CA GLY A 25 0.038 -6.687 15.098 1.00 0.00 C ATOM 378 C GLY A 25 -0.243 -5.444 14.277 1.00 0.00 C ATOM 379 O GLY A 25 0.243 -4.358 14.594 1.00 0.00 O ATOM 0 H GLY A 25 -0.062 -8.363 13.848 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.889 -7.037 15.552 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.716 -6.435 15.913 1.00 0.00 H new ATOM 383 N TYR A 26 -1.027 -5.607 13.217 1.00 0.00 N ATOM 384 CA TYR A 26 -1.373 -4.493 12.341 1.00 0.00 C ATOM 385 C TYR A 26 -2.883 -4.406 12.142 1.00 0.00 C ATOM 386 O TYR A 26 -3.644 -5.168 12.737 1.00 0.00 O ATOM 387 CB TYR A 26 -0.682 -4.654 10.987 1.00 0.00 C ATOM 388 CG TYR A 26 0.810 -4.414 11.029 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.323 -3.153 11.302 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.707 -5.450 10.794 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.685 -2.929 11.341 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.071 -5.234 10.831 1.00 0.00 C ATOM 393 CZ TYR A 26 3.556 -3.972 11.105 1.00 0.00 C ATOM 394 OH TYR A 26 4.915 -3.750 11.144 1.00 0.00 O ATOM 0 H TYR A 26 -1.435 -6.501 12.943 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.032 -3.572 12.813 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.868 -5.661 10.613 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.132 -3.961 10.276 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.645 -2.333 11.487 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.331 -6.440 10.579 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.066 -1.942 11.555 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.755 -6.049 10.646 1.00 0.00 H new ATOM 0 HH TYR A 26 5.389 -4.587 10.957 1.00 0.00 H new ATOM 404 N HIS A 27 -3.306 -3.473 11.296 1.00 0.00 N ATOM 405 CA HIS A 27 -4.723 -3.284 11.009 1.00 0.00 C ATOM 406 C HIS A 27 -4.940 -3.026 9.521 1.00 0.00 C ATOM 407 O HIS A 27 -5.266 -1.913 9.111 1.00 0.00 O ATOM 408 CB HIS A 27 -5.282 -2.123 11.832 1.00 0.00 C ATOM 409 CG HIS A 27 -6.688 -2.340 12.299 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.076 -3.442 13.032 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.803 -1.589 12.134 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.368 -3.360 13.296 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.832 -2.245 12.763 1.00 0.00 N ATOM 0 H HIS A 27 -2.687 -2.835 10.796 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.253 -4.196 11.283 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.641 -1.962 12.699 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.243 -1.213 11.233 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.870 -0.649 11.606 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.946 -4.082 13.853 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.799 -1.923 12.811 1.00 0.00 H new ATOM 422 N PRO A 28 -4.751 -4.064 8.691 1.00 0.00 N ATOM 423 CA PRO A 28 -4.917 -3.960 7.237 1.00 0.00 C ATOM 424 C PRO A 28 -6.329 -3.546 6.837 1.00 0.00 C ATOM 425 O PRO A 28 -7.309 -3.959 7.458 1.00 0.00 O ATOM 426 CB PRO A 28 -4.610 -5.370 6.729 1.00 0.00 C ATOM 427 CG PRO A 28 -3.851 -6.028 7.831 1.00 0.00 C ATOM 428 CD PRO A 28 -4.355 -5.417 9.105 1.00 0.00 C ATOM 0 HA PRO A 28 -4.266 -3.194 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.527 -5.915 6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.023 -5.338 5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.012 -7.106 7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.779 -5.865 7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.196 -5.976 9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.583 -5.394 9.874 1.00 0.00 H new ATOM 436 N ASP A 29 -6.421 -2.720 5.801 1.00 0.00 N ATOM 437 CA ASP A 29 -7.720 -2.244 5.334 1.00 0.00 C ATOM 438 C ASP A 29 -7.995 -2.593 3.882 1.00 0.00 C ATOM 439 O ASP A 29 -9.026 -2.207 3.336 1.00 0.00 O ATOM 440 CB ASP A 29 -7.853 -0.745 5.561 1.00 0.00 C ATOM 441 CG ASP A 29 -9.035 -0.397 6.445 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.182 -0.455 5.954 1.00 0.00 O ATOM 443 OD2 ASP A 29 -8.815 -0.066 7.629 1.00 0.00 O ATOM 0 H ASP A 29 -5.622 -2.369 5.273 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.473 -2.765 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.938 -0.367 6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.961 -0.243 4.600 1.00 0.00 H new ATOM 448 N THR A 30 -7.068 -3.316 3.277 1.00 0.00 N ATOM 449 CA THR A 30 -7.148 -3.757 1.872 1.00 0.00 C ATOM 450 C THR A 30 -8.283 -3.120 1.071 1.00 0.00 C ATOM 451 O THR A 30 -9.460 -3.247 1.413 1.00 0.00 O ATOM 452 CB THR A 30 -7.278 -5.275 1.799 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.593 -5.683 2.132 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.323 -6.005 2.718 1.00 0.00 C ATOM 0 H THR A 30 -6.217 -3.625 3.747 1.00 0.00 H new ATOM 0 HA THR A 30 -6.218 -3.421 1.414 1.00 0.00 H new ATOM 0 HB THR A 30 -7.033 -5.535 0.769 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.192 -4.908 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.470 -7.080 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.297 -5.752 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.514 -5.710 3.750 1.00 0.00 H new ATOM 462 N ALA A 31 -7.912 -2.465 -0.023 1.00 0.00 N ATOM 463 CA ALA A 31 -8.880 -1.829 -0.907 1.00 0.00 C ATOM 464 C ALA A 31 -9.053 -2.647 -2.185 1.00 0.00 C ATOM 465 O ALA A 31 -8.661 -3.812 -2.243 1.00 0.00 O ATOM 466 CB ALA A 31 -8.441 -0.410 -1.234 1.00 0.00 C ATOM 0 H ALA A 31 -6.942 -2.361 -0.320 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.842 -1.784 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.173 0.054 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.365 0.169 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.470 -0.434 -1.728 1.00 0.00 H new ATOM 472 N LYS A 32 -9.645 -2.035 -3.205 1.00 0.00 N ATOM 473 CA LYS A 32 -9.872 -2.710 -4.474 1.00 0.00 C ATOM 474 C LYS A 32 -9.132 -2.007 -5.612 1.00 0.00 C ATOM 475 O LYS A 32 -8.727 -2.643 -6.584 1.00 0.00 O ATOM 476 CB LYS A 32 -11.375 -2.769 -4.763 1.00 0.00 C ATOM 477 CG LYS A 32 -11.705 -2.952 -6.230 1.00 0.00 C ATOM 478 CD LYS A 32 -13.206 -2.934 -6.474 1.00 0.00 C ATOM 479 CE LYS A 32 -13.766 -4.341 -6.605 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.254 -4.352 -6.556 1.00 0.00 N ATOM 0 H LYS A 32 -9.976 -1.071 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.481 -3.725 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.813 -3.590 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.841 -1.851 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.232 -2.160 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.290 -3.897 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.703 -2.418 -5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.421 -2.370 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.430 -4.780 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.372 -4.965 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.597 -5.329 -6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.574 -3.957 -5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.631 -3.777 -7.336 1.00 0.00 H new ATOM 494 N THR A 33 -8.960 -0.698 -5.486 1.00 0.00 N ATOM 495 CA THR A 33 -8.269 0.081 -6.505 1.00 0.00 C ATOM 496 C THR A 33 -7.999 1.496 -6.009 1.00 0.00 C ATOM 497 O THR A 33 -8.234 1.808 -4.842 1.00 0.00 O ATOM 498 CB THR A 33 -9.097 0.124 -7.793 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.457 -0.165 -7.523 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.620 -0.855 -8.844 1.00 0.00 C ATOM 0 H THR A 33 -9.289 -0.153 -4.689 1.00 0.00 H new ATOM 0 HA THR A 33 -7.314 -0.400 -6.715 1.00 0.00 H new ATOM 0 HB THR A 33 -8.977 1.136 -8.181 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.970 -0.131 -8.357 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.249 -0.773 -9.730 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.587 -0.629 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.679 -1.869 -8.450 1.00 0.00 H new ATOM 508 N LEU A 34 -7.508 2.350 -6.900 1.00 0.00 N ATOM 509 CA LEU A 34 -7.216 3.732 -6.542 1.00 0.00 C ATOM 510 C LEU A 34 -8.499 4.478 -6.204 1.00 0.00 C ATOM 511 O LEU A 34 -8.593 5.128 -5.162 1.00 0.00 O ATOM 512 CB LEU A 34 -6.478 4.433 -7.684 1.00 0.00 C ATOM 513 CG LEU A 34 -5.278 3.666 -8.242 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.733 4.356 -9.482 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.196 3.531 -7.180 1.00 0.00 C ATOM 0 H LEU A 34 -7.305 2.111 -7.871 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.574 3.732 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.183 4.615 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.137 5.407 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.607 2.666 -8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.880 3.796 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.510 4.400 -10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.418 5.368 -9.227 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.348 2.983 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.869 4.522 -6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.595 2.991 -6.321 1.00 0.00 H new ATOM 527 N ARG A 35 -9.492 4.369 -7.079 1.00 0.00 N ATOM 528 CA ARG A 35 -10.774 5.024 -6.855 1.00 0.00 C ATOM 529 C ARG A 35 -11.396 4.515 -5.560 1.00 0.00 C ATOM 530 O ARG A 35 -11.820 5.298 -4.708 1.00 0.00 O ATOM 531 CB ARG A 35 -11.720 4.775 -8.032 1.00 0.00 C ATOM 532 CG ARG A 35 -11.943 3.302 -8.333 1.00 0.00 C ATOM 533 CD ARG A 35 -12.418 3.093 -9.762 1.00 0.00 C ATOM 534 NE ARG A 35 -13.107 1.815 -9.928 1.00 0.00 N ATOM 535 CZ ARG A 35 -13.695 1.432 -11.059 1.00 0.00 C ATOM 536 NH1 ARG A 35 -13.680 2.224 -12.125 1.00 0.00 N ATOM 537 NH2 ARG A 35 -14.298 0.253 -11.125 1.00 0.00 N ATOM 0 H ARG A 35 -9.434 3.836 -7.946 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.608 6.098 -6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.681 5.243 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.317 5.262 -8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.016 2.752 -8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.679 2.895 -7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.088 3.905 -10.044 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.564 3.135 -10.438 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.139 1.180 -9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.216 3.131 -12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.132 1.925 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.311 -0.360 -10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.749 -0.041 -11.991 1.00 0.00 H new ATOM 551 N GLU A 36 -11.427 3.194 -5.411 1.00 0.00 N ATOM 552 CA GLU A 36 -11.977 2.576 -4.213 1.00 0.00 C ATOM 553 C GLU A 36 -11.113 2.913 -3.004 1.00 0.00 C ATOM 554 O GLU A 36 -11.611 3.022 -1.883 1.00 0.00 O ATOM 555 CB GLU A 36 -12.076 1.058 -4.384 1.00 0.00 C ATOM 556 CG GLU A 36 -13.112 0.417 -3.476 1.00 0.00 C ATOM 557 CD GLU A 36 -14.513 0.491 -4.048 1.00 0.00 C ATOM 558 OE1 GLU A 36 -15.010 1.618 -4.257 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.114 -0.578 -4.287 1.00 0.00 O ATOM 0 H GLU A 36 -11.078 2.533 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.980 2.970 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.322 0.832 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.102 0.612 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.847 -0.627 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.094 0.911 -2.504 1.00 0.00 H new ATOM 566 N ALA A 37 -9.814 3.091 -3.241 1.00 0.00 N ATOM 567 CA ALA A 37 -8.887 3.431 -2.171 1.00 0.00 C ATOM 568 C ALA A 37 -9.116 4.863 -1.711 1.00 0.00 C ATOM 569 O ALA A 37 -9.481 5.100 -0.562 1.00 0.00 O ATOM 570 CB ALA A 37 -7.450 3.239 -2.633 1.00 0.00 C ATOM 0 H ALA A 37 -9.384 3.005 -4.162 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.067 2.765 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.769 3.497 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.296 2.199 -2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.254 3.883 -3.490 1.00 0.00 H new ATOM 576 N GLU A 38 -8.900 5.817 -2.617 1.00 0.00 N ATOM 577 CA GLU A 38 -9.084 7.233 -2.308 1.00 0.00 C ATOM 578 C GLU A 38 -10.344 7.449 -1.482 1.00 0.00 C ATOM 579 O GLU A 38 -10.354 8.246 -0.543 1.00 0.00 O ATOM 580 CB GLU A 38 -9.158 8.056 -3.595 1.00 0.00 C ATOM 581 CG GLU A 38 -7.891 7.997 -4.431 1.00 0.00 C ATOM 582 CD GLU A 38 -8.151 8.256 -5.902 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.857 9.238 -6.216 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.648 7.479 -6.740 1.00 0.00 O ATOM 0 H GLU A 38 -8.597 5.633 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.225 7.564 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.996 7.701 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.366 9.095 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.179 8.732 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.428 7.017 -4.315 1.00 0.00 H new ATOM 591 N LYS A 39 -11.400 6.722 -1.823 1.00 0.00 N ATOM 592 CA LYS A 39 -12.654 6.824 -1.092 1.00 0.00 C ATOM 593 C LYS A 39 -12.450 6.358 0.344 1.00 0.00 C ATOM 594 O LYS A 39 -12.838 7.037 1.295 1.00 0.00 O ATOM 595 CB LYS A 39 -13.740 5.986 -1.771 1.00 0.00 C ATOM 596 CG LYS A 39 -15.071 5.999 -1.035 1.00 0.00 C ATOM 597 CD LYS A 39 -15.268 4.734 -0.214 1.00 0.00 C ATOM 598 CE LYS A 39 -16.690 4.208 -0.331 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.896 3.442 -1.590 1.00 0.00 N ATOM 0 H LYS A 39 -11.413 6.059 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.977 7.865 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.892 6.356 -2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.392 4.957 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.117 6.869 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.884 6.097 -1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.568 3.969 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.040 4.939 0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.912 3.569 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.390 5.043 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.877 3.101 -1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.709 4.059 -2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.246 2.631 -1.613 1.00 0.00 H new ATOM 613 N LYS A 40 -11.831 5.190 0.486 1.00 0.00 N ATOM 614 CA LYS A 40 -11.560 4.615 1.796 1.00 0.00 C ATOM 615 C LYS A 40 -10.520 5.437 2.554 1.00 0.00 C ATOM 616 O LYS A 40 -10.558 5.522 3.781 1.00 0.00 O ATOM 617 CB LYS A 40 -11.075 3.173 1.644 1.00 0.00 C ATOM 618 CG LYS A 40 -12.156 2.216 1.166 1.00 0.00 C ATOM 619 CD LYS A 40 -12.241 0.981 2.050 1.00 0.00 C ATOM 620 CE LYS A 40 -13.101 -0.100 1.415 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.631 -1.467 1.774 1.00 0.00 N ATOM 0 H LYS A 40 -11.507 4.621 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.487 4.626 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.243 3.150 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.690 2.825 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.119 2.727 1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.949 1.916 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.239 0.591 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.656 1.254 3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.135 0.024 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.087 0.015 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.244 -2.175 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.653 -1.595 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.668 -1.587 2.806 1.00 0.00 H new ATOM 635 N ILE A 41 -9.587 6.035 1.818 1.00 0.00 N ATOM 636 CA ILE A 41 -8.534 6.845 2.426 1.00 0.00 C ATOM 637 C ILE A 41 -8.986 8.290 2.634 1.00 0.00 C ATOM 638 O ILE A 41 -8.358 9.042 3.378 1.00 0.00 O ATOM 639 CB ILE A 41 -7.258 6.845 1.562 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.913 5.423 1.111 1.00 0.00 C ATOM 641 CG2 ILE A 41 -6.095 7.460 2.331 1.00 0.00 C ATOM 642 CD1 ILE A 41 -6.021 5.377 -0.110 1.00 0.00 C ATOM 0 H ILE A 41 -9.538 5.974 0.801 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.317 6.394 3.394 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.443 7.450 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.421 4.900 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.836 4.884 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.201 7.452 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.340 8.487 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.910 6.881 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.817 4.339 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.520 5.872 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.082 5.887 0.106 1.00 0.00 H new ATOM 654 N LYS A 42 -10.073 8.674 1.969 1.00 0.00 N ATOM 655 CA LYS A 42 -10.600 10.032 2.081 1.00 0.00 C ATOM 656 C LYS A 42 -10.799 10.438 3.540 1.00 0.00 C ATOM 657 O LYS A 42 -10.804 11.625 3.866 1.00 0.00 O ATOM 658 CB LYS A 42 -11.917 10.151 1.321 1.00 0.00 C ATOM 659 CG LYS A 42 -11.836 11.054 0.102 1.00 0.00 C ATOM 660 CD LYS A 42 -12.216 12.486 0.442 1.00 0.00 C ATOM 661 CE LYS A 42 -10.995 13.319 0.796 1.00 0.00 C ATOM 662 NZ LYS A 42 -10.552 14.168 -0.344 1.00 0.00 N ATOM 0 H LYS A 42 -10.606 8.065 1.348 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.868 10.709 1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.236 9.157 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.683 10.533 1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.824 11.031 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.499 10.676 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.732 12.937 -0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.914 12.489 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.224 13.953 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.180 12.660 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.717 14.720 -0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.309 13.562 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.320 14.815 -0.614 1.00 0.00 H new ATOM 676 N GLU A 43 -10.968 9.450 4.414 1.00 0.00 N ATOM 677 CA GLU A 43 -11.171 9.715 5.832 1.00 0.00 C ATOM 678 C GLU A 43 -10.110 9.021 6.679 1.00 0.00 C ATOM 679 O GLU A 43 -9.420 9.660 7.474 1.00 0.00 O ATOM 680 CB GLU A 43 -12.565 9.255 6.264 1.00 0.00 C ATOM 681 CG GLU A 43 -13.677 9.740 5.347 1.00 0.00 C ATOM 682 CD GLU A 43 -14.650 8.637 4.977 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.190 7.551 4.568 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.873 8.860 5.097 1.00 0.00 O ATOM 0 H GLU A 43 -10.968 8.461 4.164 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.084 10.790 5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.584 8.166 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.759 9.611 7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.219 10.549 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.239 10.153 4.438 1.00 0.00 H new ATOM 691 N LEU A 44 -9.989 7.709 6.508 1.00 0.00 N ATOM 692 CA LEU A 44 -9.017 6.925 7.260 1.00 0.00 C ATOM 693 C LEU A 44 -7.590 7.380 6.961 1.00 0.00 C ATOM 694 O LEU A 44 -7.191 7.483 5.801 1.00 0.00 O ATOM 695 CB LEU A 44 -9.172 5.437 6.934 1.00 0.00 C ATOM 696 CG LEU A 44 -9.434 4.535 8.140 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.316 4.673 9.162 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.779 4.868 8.769 1.00 0.00 C ATOM 0 H LEU A 44 -10.553 7.166 5.854 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.208 7.081 8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.992 5.319 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.267 5.094 6.433 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.460 3.500 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.519 4.024 10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.368 4.387 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.258 5.708 9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.951 4.217 9.626 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.780 5.908 9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.571 4.718 8.035 1.00 0.00 H new ATOM 710 N PHE A 45 -6.826 7.643 8.016 1.00 0.00 N ATOM 711 CA PHE A 45 -5.442 8.078 7.872 1.00 0.00 C ATOM 712 C PHE A 45 -4.499 6.879 7.897 1.00 0.00 C ATOM 713 O PHE A 45 -3.983 6.505 8.950 1.00 0.00 O ATOM 714 CB PHE A 45 -5.074 9.058 8.987 1.00 0.00 C ATOM 715 CG PHE A 45 -3.791 9.800 8.739 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.579 9.274 9.153 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.800 11.027 8.092 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.398 9.956 8.927 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.622 11.712 7.863 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.420 11.176 8.281 1.00 0.00 C ATOM 0 H PHE A 45 -7.143 7.562 8.982 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.339 8.583 6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.883 9.779 9.107 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.992 8.512 9.927 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.556 8.320 9.658 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.737 11.451 7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.459 9.535 9.255 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.641 12.666 7.357 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.498 11.710 8.103 1.00 0.00 H new ATOM 730 N PHE A 46 -4.288 6.276 6.733 1.00 0.00 N ATOM 731 CA PHE A 46 -3.416 5.111 6.621 1.00 0.00 C ATOM 732 C PHE A 46 -1.942 5.517 6.600 1.00 0.00 C ATOM 733 O PHE A 46 -1.505 6.238 5.703 1.00 0.00 O ATOM 734 CB PHE A 46 -3.743 4.325 5.352 1.00 0.00 C ATOM 735 CG PHE A 46 -5.070 3.626 5.397 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.326 2.656 6.352 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.061 3.937 4.480 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.546 2.010 6.392 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.283 3.294 4.515 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.526 2.329 5.472 1.00 0.00 C ATOM 0 H PHE A 46 -4.708 6.574 5.853 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.590 4.485 7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.730 5.006 4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.960 3.587 5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.563 2.402 7.073 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.876 4.691 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.734 1.256 7.142 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.047 3.546 3.795 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.480 1.824 5.501 1.00 0.00 H new ATOM 750 N PRO A 47 -1.150 5.049 7.582 1.00 0.00 N ATOM 751 CA PRO A 47 0.279 5.360 7.655 1.00 0.00 C ATOM 752 C PRO A 47 1.083 4.602 6.602 1.00 0.00 C ATOM 753 O PRO A 47 2.207 4.982 6.271 1.00 0.00 O ATOM 754 CB PRO A 47 0.672 4.897 9.058 1.00 0.00 C ATOM 755 CG PRO A 47 -0.297 3.817 9.387 1.00 0.00 C ATOM 756 CD PRO A 47 -1.581 4.172 8.688 1.00 0.00 C ATOM 0 HA PRO A 47 0.479 6.415 7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.698 4.529 9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.612 5.715 9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.073 2.848 9.052 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.448 3.745 10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.093 3.284 8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.273 4.683 9.358 1.00 0.00 H new ATOM 764 N VAL A 48 0.500 3.528 6.079 1.00 0.00 N ATOM 765 CA VAL A 48 1.157 2.714 5.067 1.00 0.00 C ATOM 766 C VAL A 48 0.167 2.191 4.034 1.00 0.00 C ATOM 767 O VAL A 48 -0.871 1.629 4.380 1.00 0.00 O ATOM 768 CB VAL A 48 1.874 1.519 5.708 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.897 0.925 4.754 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.525 1.948 7.005 1.00 0.00 C ATOM 0 H VAL A 48 -0.430 3.202 6.342 1.00 0.00 H new ATOM 0 HA VAL A 48 1.882 3.358 4.569 1.00 0.00 H new ATOM 0 HB VAL A 48 1.140 0.743 5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.392 0.079 5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.396 0.587 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.638 1.682 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.033 1.096 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.249 2.738 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.762 2.320 7.689 1.00 0.00 H new ATOM 780 N ILE A 49 0.503 2.379 2.766 1.00 0.00 N ATOM 781 CA ILE A 49 -0.336 1.926 1.667 1.00 0.00 C ATOM 782 C ILE A 49 0.411 0.907 0.813 1.00 0.00 C ATOM 783 O ILE A 49 1.642 0.885 0.791 1.00 0.00 O ATOM 784 CB ILE A 49 -0.784 3.099 0.771 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.160 4.313 1.623 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.953 2.677 -0.105 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.300 4.048 2.581 1.00 0.00 C ATOM 0 H ILE A 49 1.360 2.847 2.471 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.221 1.466 2.107 1.00 0.00 H new ATOM 0 HB ILE A 49 0.048 3.380 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.286 4.633 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.433 5.138 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.259 3.515 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.651 1.842 -0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.788 2.372 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.513 4.952 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.187 3.757 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.023 3.244 3.263 1.00 0.00 H new ATOM 799 N VAL A 50 -0.339 0.068 0.109 1.00 0.00 N ATOM 800 CA VAL A 50 0.255 -0.950 -0.747 1.00 0.00 C ATOM 801 C VAL A 50 -0.608 -1.188 -1.977 1.00 0.00 C ATOM 802 O VAL A 50 -1.647 -1.843 -1.908 1.00 0.00 O ATOM 803 CB VAL A 50 0.451 -2.275 0.009 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.123 -3.315 -0.880 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.261 -2.036 1.270 1.00 0.00 C ATOM 0 H VAL A 50 -1.359 0.073 0.114 1.00 0.00 H new ATOM 0 HA VAL A 50 1.232 -0.582 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.528 -2.664 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.250 -4.243 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.502 -3.501 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.098 -2.946 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.396 -2.979 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.236 -1.627 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.734 -1.331 1.913 1.00 0.00 H new ATOM 815 N LEU A 51 -0.172 -0.632 -3.097 1.00 0.00 N ATOM 816 CA LEU A 51 -0.906 -0.759 -4.350 1.00 0.00 C ATOM 817 C LEU A 51 -0.469 -1.986 -5.145 1.00 0.00 C ATOM 818 O LEU A 51 0.447 -1.914 -5.963 1.00 0.00 O ATOM 819 CB LEU A 51 -0.723 0.498 -5.201 1.00 0.00 C ATOM 820 CG LEU A 51 -1.361 0.438 -6.589 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.876 0.364 -6.477 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.943 1.640 -7.420 1.00 0.00 C ATOM 0 H LEU A 51 0.688 -0.087 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.959 -0.881 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.142 1.348 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.344 0.688 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.010 -0.464 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.313 0.322 -7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.156 -0.530 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.246 1.247 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.407 1.580 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.264 2.555 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.141 1.647 -7.529 1.00 0.00 H new ATOM 834 N ASP A 52 -1.147 -3.104 -4.913 1.00 0.00 N ATOM 835 CA ASP A 52 -0.848 -4.339 -5.626 1.00 0.00 C ATOM 836 C ASP A 52 -1.304 -4.223 -7.077 1.00 0.00 C ATOM 837 O ASP A 52 -2.459 -4.499 -7.398 1.00 0.00 O ATOM 838 CB ASP A 52 -1.539 -5.526 -4.951 1.00 0.00 C ATOM 839 CG ASP A 52 -1.242 -6.842 -5.644 1.00 0.00 C ATOM 840 OD1 ASP A 52 -1.858 -7.111 -6.696 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.392 -7.602 -5.134 1.00 0.00 O ATOM 0 H ASP A 52 -1.907 -3.180 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 52 0.229 -4.506 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.218 -5.586 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.616 -5.358 -4.943 1.00 0.00 H new ATOM 846 N VAL A 53 -0.393 -3.790 -7.942 1.00 0.00 N ATOM 847 CA VAL A 53 -0.701 -3.612 -9.357 1.00 0.00 C ATOM 848 C VAL A 53 -1.038 -4.935 -10.044 1.00 0.00 C ATOM 849 O VAL A 53 -0.251 -5.453 -10.837 1.00 0.00 O ATOM 850 CB VAL A 53 0.471 -2.934 -10.096 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.723 -1.547 -9.529 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.731 -3.784 -10.012 1.00 0.00 C ATOM 0 H VAL A 53 0.567 -3.555 -7.688 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.580 -2.970 -9.405 1.00 0.00 H new ATOM 0 HB VAL A 53 0.200 -2.835 -11.147 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.553 -1.082 -10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.172 -0.937 -9.649 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.969 -1.626 -8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.543 -3.284 -10.541 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.009 -3.921 -8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.545 -4.756 -10.468 1.00 0.00 H new ATOM 862 N TRP A 54 -2.218 -5.474 -9.747 1.00 0.00 N ATOM 863 CA TRP A 54 -2.651 -6.728 -10.354 1.00 0.00 C ATOM 864 C TRP A 54 -3.036 -6.505 -11.815 1.00 0.00 C ATOM 865 O TRP A 54 -2.269 -6.819 -12.725 1.00 0.00 O ATOM 866 CB TRP A 54 -3.831 -7.319 -9.578 1.00 0.00 C ATOM 867 CG TRP A 54 -4.441 -8.518 -10.241 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.763 -8.719 -10.514 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.752 -9.680 -10.716 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.938 -9.935 -11.129 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.718 -10.544 -11.265 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.410 -10.074 -10.731 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -4.385 -11.776 -11.822 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -2.081 -11.297 -11.285 1.00 0.00 C ATOM 875 CH2 TRP A 54 -3.066 -12.136 -11.823 1.00 0.00 C ATOM 0 H TRP A 54 -2.887 -5.065 -9.094 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.822 -7.435 -10.316 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.496 -7.597 -8.579 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.596 -6.552 -9.456 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.556 -8.024 -10.281 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.831 -10.322 -11.435 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.645 -9.434 -10.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.142 -12.424 -12.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.048 -11.611 -11.303 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.777 -13.086 -12.247 1.00 0.00 H new ATOM 886 N MET A 55 -4.227 -5.954 -12.030 1.00 0.00 N ATOM 887 CA MET A 55 -4.713 -5.681 -13.377 1.00 0.00 C ATOM 888 C MET A 55 -5.866 -4.677 -13.345 1.00 0.00 C ATOM 889 O MET A 55 -6.986 -4.993 -13.747 1.00 0.00 O ATOM 890 CB MET A 55 -5.162 -6.978 -14.053 1.00 0.00 C ATOM 891 CG MET A 55 -4.847 -7.031 -15.539 1.00 0.00 C ATOM 892 SD MET A 55 -5.632 -8.427 -16.367 1.00 0.00 S ATOM 893 CE MET A 55 -4.212 -9.469 -16.695 1.00 0.00 C ATOM 0 H MET A 55 -4.873 -5.688 -11.287 1.00 0.00 H new ATOM 0 HA MET A 55 -3.895 -5.248 -13.953 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.681 -7.821 -13.558 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.236 -7.097 -13.913 1.00 0.00 H new ATOM 0 HG2 MET A 55 -5.175 -6.104 -16.009 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.767 -7.093 -15.675 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.536 -10.376 -17.206 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.504 -8.931 -17.325 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.731 -9.735 -15.754 1.00 0.00 H new ATOM 903 N PRO A 56 -5.608 -3.447 -12.861 1.00 0.00 N ATOM 904 CA PRO A 56 -6.618 -2.399 -12.772 1.00 0.00 C ATOM 905 C PRO A 56 -6.768 -1.629 -14.082 1.00 0.00 C ATOM 906 O PRO A 56 -6.454 -2.144 -15.155 1.00 0.00 O ATOM 907 CB PRO A 56 -6.085 -1.476 -11.661 1.00 0.00 C ATOM 908 CG PRO A 56 -4.729 -1.994 -11.290 1.00 0.00 C ATOM 909 CD PRO A 56 -4.319 -2.971 -12.357 1.00 0.00 C ATOM 0 HA PRO A 56 -7.608 -2.804 -12.564 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.024 -0.445 -12.009 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.752 -1.482 -10.799 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.011 -1.177 -11.220 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.756 -2.479 -10.314 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.728 -2.494 -13.139 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.716 -3.784 -11.953 1.00 0.00 H new ATOM 917 N ASP A 57 -7.251 -0.394 -13.986 1.00 0.00 N ATOM 918 CA ASP A 57 -7.443 0.447 -15.162 1.00 0.00 C ATOM 919 C ASP A 57 -6.709 1.776 -15.008 1.00 0.00 C ATOM 920 O ASP A 57 -6.082 2.263 -15.949 1.00 0.00 O ATOM 921 CB ASP A 57 -8.933 0.699 -15.397 1.00 0.00 C ATOM 922 CG ASP A 57 -9.588 1.424 -14.237 1.00 0.00 C ATOM 923 OD1 ASP A 57 -9.359 1.017 -13.078 1.00 0.00 O ATOM 924 OD2 ASP A 57 -10.327 2.398 -14.488 1.00 0.00 O ATOM 0 H ASP A 57 -7.517 0.047 -13.105 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.030 -0.078 -16.023 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.060 1.286 -16.307 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.438 -0.253 -15.559 1.00 0.00 H new ATOM 929 N GLY A 58 -6.791 2.359 -13.815 1.00 0.00 N ATOM 930 CA GLY A 58 -6.129 3.626 -13.562 1.00 0.00 C ATOM 931 C GLY A 58 -4.639 3.466 -13.332 1.00 0.00 C ATOM 932 O GLY A 58 -4.121 2.350 -13.323 1.00 0.00 O ATOM 0 H GLY A 58 -7.304 1.977 -13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.293 4.294 -14.408 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.579 4.100 -12.690 1.00 0.00 H new ATOM 936 N ASP A 59 -3.950 4.587 -13.143 1.00 0.00 N ATOM 937 CA ASP A 59 -2.510 4.568 -12.910 1.00 0.00 C ATOM 938 C ASP A 59 -2.187 4.982 -11.479 1.00 0.00 C ATOM 939 O ASP A 59 -2.638 6.027 -11.006 1.00 0.00 O ATOM 940 CB ASP A 59 -1.800 5.498 -13.895 1.00 0.00 C ATOM 941 CG ASP A 59 -1.346 4.774 -15.148 1.00 0.00 C ATOM 942 OD1 ASP A 59 -1.105 3.551 -15.073 1.00 0.00 O ATOM 943 OD2 ASP A 59 -1.232 5.430 -16.204 1.00 0.00 O ATOM 0 H ASP A 59 -4.365 5.519 -13.147 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.155 3.549 -13.064 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.471 6.311 -14.171 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.937 5.950 -13.406 1.00 0.00 H new ATOM 948 N GLY A 60 -1.406 4.155 -10.791 1.00 0.00 N ATOM 949 CA GLY A 60 -1.036 4.451 -9.420 1.00 0.00 C ATOM 950 C GLY A 60 0.084 5.471 -9.315 1.00 0.00 C ATOM 951 O GLY A 60 0.488 5.843 -8.214 1.00 0.00 O ATOM 0 H GLY A 60 -1.023 3.284 -11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.910 4.823 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.729 3.530 -8.925 1.00 0.00 H new ATOM 955 N VAL A 61 0.588 5.923 -10.459 1.00 0.00 N ATOM 956 CA VAL A 61 1.663 6.899 -10.487 1.00 0.00 C ATOM 957 C VAL A 61 1.234 8.204 -9.822 1.00 0.00 C ATOM 958 O VAL A 61 1.839 8.643 -8.844 1.00 0.00 O ATOM 959 CB VAL A 61 2.105 7.186 -11.934 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.284 8.138 -11.952 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.450 5.891 -12.655 1.00 0.00 C ATOM 0 H VAL A 61 0.265 5.626 -11.380 1.00 0.00 H new ATOM 0 HA VAL A 61 2.502 6.477 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 61 1.275 7.659 -12.459 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.582 8.329 -12.983 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.001 9.077 -11.477 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.119 7.694 -11.409 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.760 6.114 -13.676 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.263 5.388 -12.131 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.575 5.242 -12.675 1.00 0.00 H new ATOM 971 N ASN A 62 0.188 8.819 -10.360 1.00 0.00 N ATOM 972 CA ASN A 62 -0.327 10.062 -9.839 1.00 0.00 C ATOM 973 C ASN A 62 -1.008 9.863 -8.486 1.00 0.00 C ATOM 974 O ASN A 62 -1.161 10.811 -7.715 1.00 0.00 O ATOM 975 CB ASN A 62 -1.315 10.630 -10.845 1.00 0.00 C ATOM 976 CG ASN A 62 -2.416 9.648 -11.198 1.00 0.00 C ATOM 977 OD1 ASN A 62 -3.416 9.538 -10.489 1.00 0.00 O ATOM 978 ND2 ASN A 62 -2.233 8.925 -12.296 1.00 0.00 N ATOM 0 H ASN A 62 -0.321 8.464 -11.169 1.00 0.00 H new ATOM 0 HA ASN A 62 0.501 10.754 -9.685 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.760 11.539 -10.439 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.782 10.914 -11.752 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.937 8.245 -12.582 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.388 9.050 -12.854 1.00 0.00 H new ATOM 985 N PHE A 63 -1.423 8.630 -8.204 1.00 0.00 N ATOM 986 CA PHE A 63 -2.095 8.320 -6.947 1.00 0.00 C ATOM 987 C PHE A 63 -1.194 8.603 -5.747 1.00 0.00 C ATOM 988 O PHE A 63 -1.664 9.052 -4.701 1.00 0.00 O ATOM 989 CB PHE A 63 -2.545 6.858 -6.923 1.00 0.00 C ATOM 990 CG PHE A 63 -3.278 6.482 -5.665 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.207 7.346 -5.108 1.00 0.00 C ATOM 992 CD2 PHE A 63 -3.034 5.271 -5.039 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.879 7.010 -3.950 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.705 4.929 -3.880 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.629 5.800 -3.335 1.00 0.00 C ATOM 0 H PHE A 63 -1.306 7.832 -8.828 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.971 8.965 -6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.190 6.669 -7.781 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.672 6.215 -7.033 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.408 8.294 -5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.312 4.587 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.600 7.693 -3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.507 3.982 -3.401 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.154 5.534 -2.430 1.00 0.00 H new ATOM 1005 N ILE A 64 0.100 8.335 -5.900 1.00 0.00 N ATOM 1006 CA ILE A 64 1.060 8.561 -4.822 1.00 0.00 C ATOM 1007 C ILE A 64 0.878 9.944 -4.198 1.00 0.00 C ATOM 1008 O ILE A 64 1.176 10.147 -3.022 1.00 0.00 O ATOM 1009 CB ILE A 64 2.513 8.409 -5.321 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.738 6.999 -5.873 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.501 8.706 -4.200 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.319 6.982 -7.269 1.00 0.00 C ATOM 0 H ILE A 64 0.508 7.962 -6.757 1.00 0.00 H new ATOM 0 HA ILE A 64 0.868 7.803 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 64 2.680 9.129 -6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.407 6.458 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.789 6.463 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.519 8.593 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.355 9.727 -3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.337 8.011 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.451 5.950 -7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.641 7.494 -7.952 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.284 7.489 -7.268 1.00 0.00 H new ATOM 1024 N ASP A 65 0.379 10.887 -4.990 1.00 0.00 N ATOM 1025 CA ASP A 65 0.151 12.242 -4.507 1.00 0.00 C ATOM 1026 C ASP A 65 -1.061 12.284 -3.583 1.00 0.00 C ATOM 1027 O ASP A 65 -1.046 12.958 -2.553 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.048 13.202 -5.681 1.00 0.00 C ATOM 1029 CG ASP A 65 -0.212 14.640 -5.231 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.318 14.991 -4.156 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.872 15.417 -5.954 1.00 0.00 O ATOM 0 H ASP A 65 0.126 10.738 -5.967 1.00 0.00 H new ATOM 0 HA ASP A 65 1.029 12.556 -3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.806 13.130 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.928 12.899 -6.249 1.00 0.00 H new ATOM 1036 N PHE A 66 -2.110 11.554 -3.955 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.325 11.504 -3.152 1.00 0.00 C ATOM 1038 C PHE A 66 -3.011 11.027 -1.740 1.00 0.00 C ATOM 1039 O PHE A 66 -3.509 11.581 -0.759 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.355 10.578 -3.800 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.649 10.496 -3.041 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.731 9.768 -1.864 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.779 11.149 -3.501 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.919 9.695 -1.161 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.970 11.078 -2.803 1.00 0.00 C ATOM 1046 CZ PHE A 66 -8.040 10.351 -1.631 1.00 0.00 C ATOM 0 H PHE A 66 -2.141 10.991 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.742 12.510 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.558 10.926 -4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.930 9.578 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.858 9.253 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.730 11.721 -4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.971 9.125 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.845 11.591 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.969 10.295 -1.083 1.00 0.00 H new ATOM 1056 N ILE A 67 -2.168 10.002 -1.642 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.777 9.460 -0.348 1.00 0.00 C ATOM 1058 C ILE A 67 -1.063 10.528 0.477 1.00 0.00 C ATOM 1059 O ILE A 67 -1.317 10.677 1.672 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.862 8.225 -0.506 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.621 7.089 -1.197 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.340 7.764 0.848 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.566 7.153 -2.708 1.00 0.00 C ATOM 0 H ILE A 67 -1.745 9.533 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.685 9.148 0.169 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.009 8.506 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.209 6.135 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.663 7.114 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.302 6.893 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.232 8.568 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.180 7.500 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.125 6.317 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.005 8.091 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.528 7.097 -3.037 1.00 0.00 H new ATOM 1075 N LYS A 68 -0.178 11.278 -0.173 1.00 0.00 N ATOM 1076 CA LYS A 68 0.558 12.340 0.499 1.00 0.00 C ATOM 1077 C LYS A 68 -0.326 13.572 0.685 1.00 0.00 C ATOM 1078 O LYS A 68 -0.039 14.435 1.515 1.00 0.00 O ATOM 1079 CB LYS A 68 1.809 12.710 -0.301 1.00 0.00 C ATOM 1080 CG LYS A 68 2.696 11.518 -0.629 1.00 0.00 C ATOM 1081 CD LYS A 68 4.113 11.713 -0.112 1.00 0.00 C ATOM 1082 CE LYS A 68 4.359 10.909 1.155 1.00 0.00 C ATOM 1083 NZ LYS A 68 4.450 9.449 0.876 1.00 0.00 N ATOM 0 H LYS A 68 0.045 11.169 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 68 0.861 11.977 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.506 13.194 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.389 13.440 0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.270 10.616 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.720 11.368 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.826 11.412 -0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.287 12.770 0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.282 11.247 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.553 11.094 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.832 8.959 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.503 9.077 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.079 9.289 0.063 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.406 13.644 -0.091 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.336 14.763 -0.010 1.00 0.00 C ATOM 1099 C GLU A 69 -3.141 14.697 1.282 1.00 0.00 C ATOM 1100 O GLU A 69 -3.360 15.711 1.945 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.278 14.756 -1.213 1.00 0.00 C ATOM 1102 CG GLU A 69 -4.037 16.060 -1.398 1.00 0.00 C ATOM 1103 CD GLU A 69 -5.459 15.843 -1.880 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.646 15.079 -2.850 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -6.383 16.436 -1.287 1.00 0.00 O ATOM 0 H GLU A 69 -1.657 12.938 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.761 15.689 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.701 14.550 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.993 13.942 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.056 16.602 -0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.506 16.687 -2.114 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.582 13.493 1.630 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.369 13.284 2.842 1.00 0.00 C ATOM 1114 C ASN A 70 -3.633 12.373 3.825 1.00 0.00 C ATOM 1115 O ASN A 70 -4.226 11.872 4.780 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.732 12.680 2.489 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.311 13.262 1.214 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -7.261 14.045 1.250 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.740 12.879 0.076 1.00 0.00 N ATOM 0 H ASN A 70 -3.408 12.645 1.090 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.518 14.252 3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.630 11.600 2.378 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.426 12.852 3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.087 13.236 -0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.955 12.228 0.093 1.00 0.00 H new ATOM 1126 N SER A 71 -2.340 12.164 3.587 1.00 0.00 N ATOM 1127 CA SER A 71 -1.530 11.317 4.455 1.00 0.00 C ATOM 1128 C SER A 71 -0.041 11.561 4.208 1.00 0.00 C ATOM 1129 O SER A 71 0.666 10.690 3.702 1.00 0.00 O ATOM 1130 CB SER A 71 -1.871 9.842 4.226 1.00 0.00 C ATOM 1131 OG SER A 71 -2.600 9.312 5.320 1.00 0.00 O ATOM 0 H SER A 71 -1.832 12.570 2.801 1.00 0.00 H new ATOM 0 HA SER A 71 -1.754 11.572 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.455 9.738 3.311 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.953 9.271 4.085 1.00 0.00 H new ATOM 0 HG SER A 71 -2.716 10.005 6.003 1.00 0.00 H new ATOM 1137 N PRO A 72 0.456 12.759 4.564 1.00 0.00 N ATOM 1138 CA PRO A 72 1.864 13.118 4.378 1.00 0.00 C ATOM 1139 C PRO A 72 2.785 12.331 5.298 1.00 0.00 C ATOM 1140 O PRO A 72 3.984 12.210 5.047 1.00 0.00 O ATOM 1141 CB PRO A 72 1.917 14.614 4.720 1.00 0.00 C ATOM 1142 CG PRO A 72 0.494 15.064 4.793 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.310 13.855 5.169 1.00 0.00 C ATOM 0 HA PRO A 72 2.204 12.894 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.429 14.781 5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.465 15.170 3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.374 15.856 5.532 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.164 15.468 3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.392 13.743 6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.325 13.905 4.776 1.00 0.00 H new ATOM 1151 N ASP A 73 2.208 11.797 6.360 1.00 0.00 N ATOM 1152 CA ASP A 73 2.959 11.012 7.333 1.00 0.00 C ATOM 1153 C ASP A 73 2.681 9.523 7.156 1.00 0.00 C ATOM 1154 O ASP A 73 2.624 8.771 8.129 1.00 0.00 O ATOM 1155 CB ASP A 73 2.600 11.445 8.753 1.00 0.00 C ATOM 1156 CG ASP A 73 3.558 10.892 9.790 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.347 9.987 9.447 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.519 11.363 10.945 1.00 0.00 O ATOM 0 H ASP A 73 1.215 11.892 6.574 1.00 0.00 H new ATOM 0 HA ASP A 73 4.022 11.188 7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.599 12.534 8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.588 11.114 8.985 1.00 0.00 H new ATOM 1163 N SER A 74 2.505 9.107 5.906 1.00 0.00 N ATOM 1164 CA SER A 74 2.229 7.709 5.594 1.00 0.00 C ATOM 1165 C SER A 74 3.409 7.074 4.855 1.00 0.00 C ATOM 1166 O SER A 74 4.539 7.552 4.951 1.00 0.00 O ATOM 1167 CB SER A 74 0.953 7.607 4.753 1.00 0.00 C ATOM 1168 OG SER A 74 0.632 6.257 4.466 1.00 0.00 O ATOM 0 H SER A 74 2.549 9.719 5.091 1.00 0.00 H new ATOM 0 HA SER A 74 2.084 7.165 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.125 8.074 5.286 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.084 8.158 3.822 1.00 0.00 H new ATOM 0 HG SER A 74 -0.312 6.094 4.672 1.00 0.00 H new ATOM 1174 N VAL A 75 3.140 6.003 4.112 1.00 0.00 N ATOM 1175 CA VAL A 75 4.185 5.325 3.357 1.00 0.00 C ATOM 1176 C VAL A 75 3.619 4.583 2.158 1.00 0.00 C ATOM 1177 O VAL A 75 2.576 3.951 2.243 1.00 0.00 O ATOM 1178 CB VAL A 75 4.970 4.329 4.223 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.115 3.737 3.414 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.487 5.006 5.484 1.00 0.00 C ATOM 0 H VAL A 75 2.212 5.590 4.018 1.00 0.00 H new ATOM 0 HA VAL A 75 4.861 6.109 3.015 1.00 0.00 H new ATOM 0 HB VAL A 75 4.304 3.522 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.670 3.031 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.715 3.220 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.781 4.536 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.040 4.284 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.145 5.831 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.646 5.389 6.062 1.00 0.00 H new ATOM 1190 N VAL A 76 4.316 4.682 1.037 1.00 0.00 N ATOM 1191 CA VAL A 76 3.877 4.027 -0.191 1.00 0.00 C ATOM 1192 C VAL A 76 4.887 2.985 -0.655 1.00 0.00 C ATOM 1193 O VAL A 76 5.899 3.317 -1.268 1.00 0.00 O ATOM 1194 CB VAL A 76 3.645 5.044 -1.327 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.733 4.455 -2.393 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.068 6.343 -0.782 1.00 0.00 C ATOM 0 H VAL A 76 5.186 5.207 0.949 1.00 0.00 H new ATOM 0 HA VAL A 76 2.933 3.534 0.041 1.00 0.00 H new ATOM 0 HB VAL A 76 4.608 5.269 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.581 5.187 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.192 3.558 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.772 4.197 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.913 7.045 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.115 6.141 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.762 6.775 -0.061 1.00 0.00 H new ATOM 1206 N ILE A 77 4.599 1.720 -0.366 1.00 0.00 N ATOM 1207 CA ILE A 77 5.482 0.629 -0.760 1.00 0.00 C ATOM 1208 C ILE A 77 5.226 0.223 -2.208 1.00 0.00 C ATOM 1209 O ILE A 77 6.154 0.144 -3.013 1.00 0.00 O ATOM 1210 CB ILE A 77 5.305 -0.599 0.154 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.445 -0.191 1.621 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.321 -1.677 -0.201 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.819 0.340 1.972 1.00 0.00 C ATOM 0 H ILE A 77 3.763 1.426 0.139 1.00 0.00 H new ATOM 0 HA ILE A 77 6.505 0.991 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 77 4.306 -1.006 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.700 0.571 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.225 -1.052 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.182 -2.537 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.179 -1.983 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.329 -1.283 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.846 0.610 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.567 -0.428 1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.034 1.221 1.367 1.00 0.00 H new ATOM 1225 N VAL A 78 3.960 -0.026 -2.535 1.00 0.00 N ATOM 1226 CA VAL A 78 3.582 -0.416 -3.890 1.00 0.00 C ATOM 1227 C VAL A 78 4.415 -1.601 -4.376 1.00 0.00 C ATOM 1228 O VAL A 78 5.534 -1.428 -4.861 1.00 0.00 O ATOM 1229 CB VAL A 78 3.747 0.762 -4.872 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.371 0.346 -6.287 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.911 1.952 -4.421 1.00 0.00 C ATOM 0 H VAL A 78 3.180 0.035 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 78 2.533 -0.710 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 78 4.796 1.059 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.496 1.194 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.016 -0.472 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.332 0.017 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.039 2.774 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.860 1.665 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.235 2.269 -3.430 1.00 0.00 H new ATOM 1241 N ILE A 79 3.861 -2.800 -4.241 1.00 0.00 N ATOM 1242 CA ILE A 79 4.552 -4.014 -4.666 1.00 0.00 C ATOM 1243 C ILE A 79 3.925 -4.552 -5.957 1.00 0.00 C ATOM 1244 O ILE A 79 3.317 -3.795 -6.713 1.00 0.00 O ATOM 1245 CB ILE A 79 4.513 -5.100 -3.562 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.451 -4.460 -2.176 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.737 -6.004 -3.663 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.207 -5.454 -1.060 1.00 0.00 C ATOM 0 H ILE A 79 2.936 -2.959 -3.841 1.00 0.00 H new ATOM 0 HA ILE A 79 5.596 -3.760 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 79 3.615 -5.701 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.387 -3.935 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.658 -3.712 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.695 -6.762 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.751 -6.490 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.641 -5.407 -3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.175 -4.929 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.257 -5.962 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.013 -6.188 -1.044 1.00 0.00 H new ATOM 1260 N THR A 80 4.069 -5.855 -6.211 1.00 0.00 N ATOM 1261 CA THR A 80 3.510 -6.471 -7.411 1.00 0.00 C ATOM 1262 C THR A 80 4.273 -6.037 -8.659 1.00 0.00 C ATOM 1263 O THR A 80 4.266 -4.863 -9.028 1.00 0.00 O ATOM 1264 CB THR A 80 2.026 -6.121 -7.556 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.351 -6.285 -6.322 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.309 -6.970 -8.584 1.00 0.00 C ATOM 0 H THR A 80 4.568 -6.502 -5.600 1.00 0.00 H new ATOM 0 HA THR A 80 3.609 -7.551 -7.306 1.00 0.00 H new ATOM 0 HB THR A 80 2.005 -5.082 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.016 -7.203 -6.252 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.262 -6.671 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.776 -6.832 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.372 -8.020 -8.297 1.00 0.00 H new ATOM 1317 N VAL A 85 11.244 -2.795 -14.691 1.00 0.00 N ATOM 1318 CA VAL A 85 11.547 -1.845 -13.629 1.00 0.00 C ATOM 1319 C VAL A 85 11.301 -0.411 -14.089 1.00 0.00 C ATOM 1320 O VAL A 85 12.071 0.496 -13.770 1.00 0.00 O ATOM 1321 CB VAL A 85 13.008 -1.978 -13.155 1.00 0.00 C ATOM 1322 CG1 VAL A 85 13.237 -1.163 -11.890 1.00 0.00 C ATOM 1323 CG2 VAL A 85 13.367 -3.439 -12.930 1.00 0.00 C ATOM 0 HA VAL A 85 10.882 -2.077 -12.797 1.00 0.00 H new ATOM 0 HB VAL A 85 13.660 -1.585 -13.935 1.00 0.00 H new ATOM 0 HG11 VAL A 85 14.274 -1.270 -11.571 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.025 -0.113 -12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.576 -1.522 -11.101 1.00 0.00 H new ATOM 0 HG21 VAL A 85 14.402 -3.512 -12.596 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.710 -3.862 -12.171 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.247 -3.991 -13.862 1.00 0.00 H new ATOM 1333 N ASP A 86 10.222 -0.213 -14.839 1.00 0.00 N ATOM 1334 CA ASP A 86 9.875 1.111 -15.342 1.00 0.00 C ATOM 1335 C ASP A 86 8.703 1.704 -14.567 1.00 0.00 C ATOM 1336 O ASP A 86 8.551 2.924 -14.496 1.00 0.00 O ATOM 1337 CB ASP A 86 9.534 1.042 -16.832 1.00 0.00 C ATOM 1338 CG ASP A 86 8.414 0.064 -17.124 1.00 0.00 C ATOM 1339 OD1 ASP A 86 7.249 0.383 -16.804 1.00 0.00 O ATOM 1340 OD2 ASP A 86 8.700 -1.021 -17.673 1.00 0.00 O ATOM 0 H ASP A 86 9.574 -0.952 -15.112 1.00 0.00 H new ATOM 0 HA ASP A 86 10.740 1.759 -15.203 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.247 2.033 -17.183 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.422 0.750 -17.392 1.00 0.00 H new ATOM 1345 N THR A 87 7.883 0.841 -13.974 1.00 0.00 N ATOM 1346 CA THR A 87 6.739 1.297 -13.194 1.00 0.00 C ATOM 1347 C THR A 87 7.185 1.670 -11.788 1.00 0.00 C ATOM 1348 O THR A 87 6.717 2.653 -11.214 1.00 0.00 O ATOM 1349 CB THR A 87 5.645 0.221 -13.150 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.377 0.809 -12.921 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.860 -0.831 -12.078 1.00 0.00 C ATOM 0 H THR A 87 7.989 -0.172 -14.019 1.00 0.00 H new ATOM 0 HA THR A 87 6.319 2.181 -13.674 1.00 0.00 H new ATOM 0 HB THR A 87 5.692 -0.269 -14.123 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.691 0.109 -12.898 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.046 -1.555 -12.111 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.807 -1.341 -12.254 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.882 -0.353 -11.099 1.00 0.00 H new ATOM 1359 N ALA A 88 8.107 0.882 -11.248 1.00 0.00 N ATOM 1360 CA ALA A 88 8.641 1.132 -9.920 1.00 0.00 C ATOM 1361 C ALA A 88 9.243 2.525 -9.852 1.00 0.00 C ATOM 1362 O ALA A 88 8.848 3.350 -9.031 1.00 0.00 O ATOM 1363 CB ALA A 88 9.695 0.094 -9.576 1.00 0.00 C ATOM 0 H ALA A 88 8.499 0.063 -11.713 1.00 0.00 H new ATOM 0 HA ALA A 88 7.828 1.063 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.088 0.291 -8.579 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.248 -0.900 -9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.506 0.145 -10.302 1.00 0.00 H new ATOM 1369 N VAL A 89 10.200 2.771 -10.733 1.00 0.00 N ATOM 1370 CA VAL A 89 10.870 4.061 -10.798 1.00 0.00 C ATOM 1371 C VAL A 89 9.873 5.192 -11.042 1.00 0.00 C ATOM 1372 O VAL A 89 10.098 6.329 -10.627 1.00 0.00 O ATOM 1373 CB VAL A 89 11.940 4.075 -11.911 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.896 2.903 -11.746 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.289 4.045 -13.289 1.00 0.00 C ATOM 0 H VAL A 89 10.532 2.090 -11.416 1.00 0.00 H new ATOM 0 HA VAL A 89 11.354 4.219 -9.834 1.00 0.00 H new ATOM 0 HB VAL A 89 12.509 5.000 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.643 2.929 -12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.392 2.971 -10.778 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.339 1.968 -11.803 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.062 4.056 -14.057 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.691 3.140 -13.389 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.648 4.919 -13.408 1.00 0.00 H new ATOM 1385 N LYS A 90 8.774 4.873 -11.721 1.00 0.00 N ATOM 1386 CA LYS A 90 7.750 5.868 -12.023 1.00 0.00 C ATOM 1387 C LYS A 90 6.853 6.137 -10.816 1.00 0.00 C ATOM 1388 O LYS A 90 6.127 7.130 -10.785 1.00 0.00 O ATOM 1389 CB LYS A 90 6.898 5.407 -13.206 1.00 0.00 C ATOM 1390 CG LYS A 90 5.824 6.406 -13.608 1.00 0.00 C ATOM 1391 CD LYS A 90 5.239 6.083 -14.975 1.00 0.00 C ATOM 1392 CE LYS A 90 5.599 7.145 -16.002 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.821 6.781 -16.772 1.00 0.00 N ATOM 0 H LYS A 90 8.571 3.937 -12.071 1.00 0.00 H new ATOM 0 HA LYS A 90 8.259 6.797 -12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.548 5.221 -14.061 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.424 4.458 -12.954 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.029 6.405 -12.862 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.248 7.410 -13.621 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.607 5.113 -15.309 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.155 6.003 -14.898 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.764 7.283 -16.689 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.758 8.098 -15.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.033 7.530 -17.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.624 6.674 -16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.661 5.884 -17.274 1.00 0.00 H new ATOM 1407 N ALA A 91 6.897 5.248 -9.827 1.00 0.00 N ATOM 1408 CA ALA A 91 6.075 5.402 -8.633 1.00 0.00 C ATOM 1409 C ALA A 91 6.921 5.702 -7.399 1.00 0.00 C ATOM 1410 O ALA A 91 6.491 6.429 -6.504 1.00 0.00 O ATOM 1411 CB ALA A 91 5.238 4.151 -8.408 1.00 0.00 C ATOM 0 H ALA A 91 7.490 4.418 -9.829 1.00 0.00 H new ATOM 0 HA ALA A 91 5.413 6.253 -8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.628 4.277 -7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.590 3.987 -9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.896 3.291 -8.280 1.00 0.00 H new ATOM 1417 N ILE A 92 8.121 5.134 -7.352 1.00 0.00 N ATOM 1418 CA ILE A 92 9.016 5.338 -6.220 1.00 0.00 C ATOM 1419 C ILE A 92 9.728 6.685 -6.313 1.00 0.00 C ATOM 1420 O ILE A 92 9.981 7.336 -5.300 1.00 0.00 O ATOM 1421 CB ILE A 92 10.061 4.198 -6.107 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.244 4.441 -7.054 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.409 2.851 -6.400 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.204 3.273 -7.143 1.00 0.00 C ATOM 0 H ILE A 92 8.496 4.530 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 92 8.398 5.329 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 92 10.444 4.186 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.861 4.661 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.790 5.323 -6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.155 2.060 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.608 2.671 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.998 2.858 -7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.013 3.519 -7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.617 3.065 -6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.674 2.393 -7.507 1.00 0.00 H new ATOM 1436 N LYS A 93 10.045 7.099 -7.537 1.00 0.00 N ATOM 1437 CA LYS A 93 10.723 8.370 -7.758 1.00 0.00 C ATOM 1438 C LYS A 93 9.861 9.534 -7.281 1.00 0.00 C ATOM 1439 O LYS A 93 10.377 10.561 -6.837 1.00 0.00 O ATOM 1440 CB LYS A 93 11.057 8.545 -9.241 1.00 0.00 C ATOM 1441 CG LYS A 93 11.932 9.754 -9.528 1.00 0.00 C ATOM 1442 CD LYS A 93 11.681 10.307 -10.922 1.00 0.00 C ATOM 1443 CE LYS A 93 12.796 9.926 -11.881 1.00 0.00 C ATOM 1444 NZ LYS A 93 12.928 8.449 -12.021 1.00 0.00 N ATOM 0 H LYS A 93 9.843 6.574 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 93 11.649 8.364 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.562 7.648 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.129 8.636 -9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.737 10.530 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.981 9.476 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.731 9.929 -11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.596 11.393 -10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.601 10.367 -12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.739 10.343 -11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.629 8.231 -12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.239 8.041 -11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.009 8.042 -12.287 1.00 0.00 H new ATOM 1458 N LYS A 94 8.545 9.367 -7.372 1.00 0.00 N ATOM 1459 CA LYS A 94 7.613 10.404 -6.947 1.00 0.00 C ATOM 1460 C LYS A 94 7.729 10.654 -5.448 1.00 0.00 C ATOM 1461 O LYS A 94 8.089 11.752 -5.019 1.00 0.00 O ATOM 1462 CB LYS A 94 6.179 10.008 -7.300 1.00 0.00 C ATOM 1463 CG LYS A 94 5.924 9.912 -8.797 1.00 0.00 C ATOM 1464 CD LYS A 94 4.586 10.530 -9.181 1.00 0.00 C ATOM 1465 CE LYS A 94 4.753 11.665 -10.181 1.00 0.00 C ATOM 1466 NZ LYS A 94 4.100 11.358 -11.484 1.00 0.00 N ATOM 0 H LYS A 94 8.101 8.524 -7.736 1.00 0.00 H new ATOM 0 HA LYS A 94 7.867 11.324 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.953 9.047 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.493 10.737 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.726 10.417 -9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.943 8.866 -9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.940 9.762 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.089 10.904 -8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.326 12.579 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.814 11.853 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.207 12.169 -12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.547 10.520 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.089 11.170 -11.330 1.00 0.00 H new ATOM 1480 N GLY A 95 7.423 9.632 -4.655 1.00 0.00 N ATOM 1481 CA GLY A 95 7.500 9.767 -3.213 1.00 0.00 C ATOM 1482 C GLY A 95 7.132 8.490 -2.481 1.00 0.00 C ATOM 1483 O GLY A 95 6.574 8.538 -1.384 1.00 0.00 O ATOM 0 H GLY A 95 7.124 8.714 -4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.512 10.061 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.835 10.569 -2.892 1.00 0.00 H new ATOM 1487 N ALA A 96 7.445 7.345 -3.081 1.00 0.00 N ATOM 1488 CA ALA A 96 7.140 6.058 -2.467 1.00 0.00 C ATOM 1489 C ALA A 96 8.295 5.582 -1.594 1.00 0.00 C ATOM 1490 O ALA A 96 9.191 6.356 -1.256 1.00 0.00 O ATOM 1491 CB ALA A 96 6.811 5.020 -3.531 1.00 0.00 C ATOM 0 H ALA A 96 7.908 7.283 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 96 6.265 6.188 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.586 4.067 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.946 5.350 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.665 4.899 -4.198 1.00 0.00 H new ATOM 1497 N TYR A 97 8.268 4.306 -1.229 1.00 0.00 N ATOM 1498 CA TYR A 97 9.310 3.727 -0.391 1.00 0.00 C ATOM 1499 C TYR A 97 10.108 2.677 -1.153 1.00 0.00 C ATOM 1500 O TYR A 97 10.662 1.752 -0.559 1.00 0.00 O ATOM 1501 CB TYR A 97 8.689 3.105 0.856 1.00 0.00 C ATOM 1502 CG TYR A 97 9.687 2.824 1.956 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.331 3.863 2.616 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.984 1.521 2.333 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.243 3.611 3.622 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.895 1.260 3.339 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.522 2.308 3.979 1.00 0.00 C ATOM 1508 OH TYR A 97 12.430 2.052 4.981 1.00 0.00 O ATOM 0 H TYR A 97 7.534 3.652 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 97 9.992 4.525 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.918 3.773 1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.195 2.174 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.115 4.884 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.495 0.698 1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.735 4.429 4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.114 0.241 3.622 1.00 0.00 H new ATOM 0 HH TYR A 97 12.511 1.084 5.110 1.00 0.00 H new ATOM 1518 N GLU A 98 10.159 2.833 -2.470 1.00 0.00 N ATOM 1519 CA GLU A 98 10.887 1.911 -3.343 1.00 0.00 C ATOM 1520 C GLU A 98 10.114 0.607 -3.532 1.00 0.00 C ATOM 1521 O GLU A 98 9.485 0.103 -2.600 1.00 0.00 O ATOM 1522 CB GLU A 98 12.306 1.650 -2.802 1.00 0.00 C ATOM 1523 CG GLU A 98 12.460 0.383 -1.965 1.00 0.00 C ATOM 1524 CD GLU A 98 13.160 -0.732 -2.717 1.00 0.00 C ATOM 1525 OE1 GLU A 98 14.172 -0.449 -3.394 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.698 -1.888 -2.630 1.00 0.00 O ATOM 0 H GLU A 98 9.700 3.598 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 98 10.985 2.378 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.994 1.595 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.610 2.505 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.023 0.616 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.475 0.040 -1.648 1.00 0.00 H new ATOM 1533 N PHE A 99 10.160 0.071 -4.748 1.00 0.00 N ATOM 1534 CA PHE A 99 9.461 -1.170 -5.067 1.00 0.00 C ATOM 1535 C PHE A 99 10.058 -2.347 -4.302 1.00 0.00 C ATOM 1536 O PHE A 99 11.229 -2.684 -4.473 1.00 0.00 O ATOM 1537 CB PHE A 99 9.528 -1.439 -6.573 1.00 0.00 C ATOM 1538 CG PHE A 99 8.204 -1.307 -7.271 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.415 -0.182 -7.085 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.751 -2.305 -8.118 1.00 0.00 C ATOM 1541 CE1 PHE A 99 6.198 -0.058 -7.730 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.536 -2.186 -8.767 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.759 -1.061 -8.572 1.00 0.00 C ATOM 0 H PHE A 99 10.675 0.477 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 99 8.419 -1.059 -4.767 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.238 -0.746 -7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.916 -2.444 -6.736 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.755 0.606 -6.429 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.354 -3.187 -8.273 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.592 0.822 -7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.195 -2.971 -9.425 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.809 -0.966 -9.077 1.00 0.00 H new ATOM 1553 N LEU A 100 9.241 -2.972 -3.460 1.00 0.00 N ATOM 1554 CA LEU A 100 9.681 -4.114 -2.673 1.00 0.00 C ATOM 1555 C LEU A 100 10.163 -5.244 -3.577 1.00 0.00 C ATOM 1556 O LEU A 100 9.466 -5.646 -4.510 1.00 0.00 O ATOM 1557 CB LEU A 100 8.540 -4.610 -1.782 1.00 0.00 C ATOM 1558 CG LEU A 100 8.963 -5.127 -0.407 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.179 -6.031 -0.527 1.00 0.00 C ATOM 1560 CD2 LEU A 100 9.249 -3.966 0.532 1.00 0.00 C ATOM 0 H LEU A 100 8.269 -2.704 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 100 10.514 -3.795 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.829 -3.795 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.013 -5.407 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 100 8.143 -5.712 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.465 -6.389 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.939 -6.881 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.006 -5.472 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.549 -4.352 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.052 -3.355 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.351 -3.358 0.643 1.00 0.00 H new ATOM 1572 N GLU A 101 11.358 -5.754 -3.298 1.00 0.00 N ATOM 1573 CA GLU A 101 11.929 -6.837 -4.088 1.00 0.00 C ATOM 1574 C GLU A 101 11.054 -8.084 -4.011 1.00 0.00 C ATOM 1575 O GLU A 101 10.450 -8.493 -5.002 1.00 0.00 O ATOM 1576 CB GLU A 101 13.343 -7.160 -3.603 1.00 0.00 C ATOM 1577 CG GLU A 101 14.414 -6.276 -4.222 1.00 0.00 C ATOM 1578 CD GLU A 101 15.812 -6.667 -3.787 1.00 0.00 C ATOM 1579 OE1 GLU A 101 16.283 -6.143 -2.756 1.00 0.00 O ATOM 1580 OE2 GLU A 101 16.438 -7.499 -4.479 1.00 0.00 O ATOM 0 H GLU A 101 11.949 -5.434 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 101 11.976 -6.511 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.379 -7.056 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.567 -8.202 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.345 -6.334 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.228 -5.238 -3.946 1.00 0.00 H new ATOM 1654 N VAL A 106 6.048 -12.868 0.593 1.00 0.00 N ATOM 1655 CA VAL A 106 5.605 -11.719 1.376 1.00 0.00 C ATOM 1656 C VAL A 106 6.430 -11.568 2.651 1.00 0.00 C ATOM 1657 O VAL A 106 6.737 -10.454 3.068 1.00 0.00 O ATOM 1658 CB VAL A 106 4.113 -11.840 1.745 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.868 -13.086 2.579 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.636 -10.594 2.475 1.00 0.00 C ATOM 0 HA VAL A 106 5.748 -10.834 0.755 1.00 0.00 H new ATOM 0 HB VAL A 106 3.538 -11.931 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.809 -13.154 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.164 -13.968 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.455 -13.031 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.581 -10.701 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.215 -10.464 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.770 -9.723 1.834 1.00 0.00 H new ATOM 1670 N GLU A 107 6.771 -12.697 3.273 1.00 0.00 N ATOM 1671 CA GLU A 107 7.552 -12.701 4.509 1.00 0.00 C ATOM 1672 C GLU A 107 8.633 -11.619 4.502 1.00 0.00 C ATOM 1673 O GLU A 107 8.891 -10.982 5.523 1.00 0.00 O ATOM 1674 CB GLU A 107 8.192 -14.071 4.719 1.00 0.00 C ATOM 1675 CG GLU A 107 8.626 -14.325 6.152 1.00 0.00 C ATOM 1676 CD GLU A 107 9.929 -15.098 6.238 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.989 -14.508 5.942 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.887 -16.292 6.601 1.00 0.00 O ATOM 0 H GLU A 107 6.516 -13.626 2.938 1.00 0.00 H new ATOM 0 HA GLU A 107 6.869 -12.485 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.483 -14.844 4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.058 -14.162 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.739 -13.372 6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.844 -14.879 6.672 1.00 0.00 H new ATOM 1685 N ARG A 108 9.255 -11.413 3.345 1.00 0.00 N ATOM 1686 CA ARG A 108 10.299 -10.403 3.210 1.00 0.00 C ATOM 1687 C ARG A 108 9.699 -9.003 3.276 1.00 0.00 C ATOM 1688 O ARG A 108 10.248 -8.105 3.915 1.00 0.00 O ATOM 1689 CB ARG A 108 11.049 -10.589 1.889 1.00 0.00 C ATOM 1690 CG ARG A 108 12.188 -9.600 1.691 1.00 0.00 C ATOM 1691 CD ARG A 108 13.533 -10.226 2.022 1.00 0.00 C ATOM 1692 NE ARG A 108 13.774 -11.444 1.250 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.858 -12.205 1.386 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.800 -11.879 2.261 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.998 -13.295 0.644 1.00 0.00 N ATOM 0 H ARG A 108 9.055 -11.931 2.489 1.00 0.00 H new ATOM 0 HA ARG A 108 11.001 -10.521 4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.448 -11.603 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.344 -10.489 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.192 -9.250 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.027 -8.726 2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.327 -9.507 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.573 -10.457 3.086 1.00 0.00 H new ATOM 0 HE ARG A 108 13.071 -11.727 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.696 -11.042 2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.628 -12.466 2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.276 -13.549 -0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.828 -13.879 0.747 1.00 0.00 H new ATOM 1709 N PHE A 109 8.559 -8.832 2.614 1.00 0.00 N ATOM 1710 CA PHE A 109 7.859 -7.554 2.591 1.00 0.00 C ATOM 1711 C PHE A 109 7.528 -7.091 4.009 1.00 0.00 C ATOM 1712 O PHE A 109 7.462 -5.892 4.283 1.00 0.00 O ATOM 1713 CB PHE A 109 6.575 -7.680 1.761 1.00 0.00 C ATOM 1714 CG PHE A 109 5.632 -6.517 1.907 1.00 0.00 C ATOM 1715 CD1 PHE A 109 6.112 -5.217 1.930 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.267 -6.726 2.025 1.00 0.00 C ATOM 1717 CE1 PHE A 109 5.247 -4.148 2.067 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.398 -5.661 2.164 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.889 -4.370 2.184 1.00 0.00 C ATOM 0 H PHE A 109 8.098 -9.570 2.082 1.00 0.00 H new ATOM 0 HA PHE A 109 8.510 -6.809 2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.844 -7.786 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.056 -8.593 2.051 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.173 -5.038 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.878 -7.733 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.633 -3.139 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.337 -5.838 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.212 -3.535 2.291 1.00 0.00 H new ATOM 1729 N LEU A 110 7.316 -8.050 4.903 1.00 0.00 N ATOM 1730 CA LEU A 110 6.986 -7.746 6.291 1.00 0.00 C ATOM 1731 C LEU A 110 8.081 -6.917 6.958 1.00 0.00 C ATOM 1732 O LEU A 110 7.797 -5.956 7.671 1.00 0.00 O ATOM 1733 CB LEU A 110 6.753 -9.032 7.071 1.00 0.00 C ATOM 1734 CG LEU A 110 5.336 -9.199 7.614 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.121 -10.619 8.104 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.071 -8.199 8.729 1.00 0.00 C ATOM 0 H LEU A 110 7.367 -9.046 4.691 1.00 0.00 H new ATOM 0 HA LEU A 110 6.070 -7.155 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.983 -9.880 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.454 -9.068 7.905 1.00 0.00 H new ATOM 0 HG LEU A 110 4.630 -9.004 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.106 -10.722 8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.269 -11.315 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.834 -10.842 8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.056 -8.333 9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.782 -8.361 9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.185 -7.186 8.344 1.00 0.00 H new ATOM 1748 N LEU A 111 9.333 -7.299 6.724 1.00 0.00 N ATOM 1749 CA LEU A 111 10.471 -6.592 7.306 1.00 0.00 C ATOM 1750 C LEU A 111 10.412 -5.100 6.992 1.00 0.00 C ATOM 1751 O LEU A 111 10.502 -4.262 7.890 1.00 0.00 O ATOM 1752 CB LEU A 111 11.783 -7.179 6.788 1.00 0.00 C ATOM 1753 CG LEU A 111 12.103 -8.591 7.286 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.852 -9.615 6.190 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.543 -8.672 7.772 1.00 0.00 C ATOM 0 H LEU A 111 9.586 -8.093 6.136 1.00 0.00 H new ATOM 0 HA LEU A 111 10.424 -6.718 8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.752 -7.193 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.599 -6.515 7.075 1.00 0.00 H new ATOM 0 HG LEU A 111 11.443 -8.817 8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.085 -10.612 6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.805 -9.576 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.485 -9.392 5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.753 -9.683 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.218 -8.425 6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.691 -7.967 8.590 1.00 0.00 H new ATOM 1767 N THR A 112 10.264 -4.775 5.713 1.00 0.00 N ATOM 1768 CA THR A 112 10.198 -3.386 5.278 1.00 0.00 C ATOM 1769 C THR A 112 9.026 -2.658 5.934 1.00 0.00 C ATOM 1770 O THR A 112 9.150 -1.501 6.335 1.00 0.00 O ATOM 1771 CB THR A 112 10.069 -3.320 3.754 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.200 -3.905 3.133 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.930 -1.910 3.220 1.00 0.00 C ATOM 0 H THR A 112 10.187 -5.457 4.958 1.00 0.00 H new ATOM 0 HA THR A 112 11.119 -2.890 5.584 1.00 0.00 H new ATOM 0 HB THR A 112 9.157 -3.868 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.361 -3.470 2.270 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.843 -1.939 2.134 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.038 -1.447 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.808 -1.327 3.498 1.00 0.00 H new ATOM 1781 N ILE A 113 7.888 -3.339 6.030 1.00 0.00 N ATOM 1782 CA ILE A 113 6.692 -2.754 6.629 1.00 0.00 C ATOM 1783 C ILE A 113 6.993 -2.123 7.983 1.00 0.00 C ATOM 1784 O ILE A 113 6.757 -0.931 8.183 1.00 0.00 O ATOM 1785 CB ILE A 113 5.569 -3.806 6.787 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.783 -3.941 5.482 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.638 -3.440 7.936 1.00 0.00 C ATOM 1788 CD1 ILE A 113 4.046 -2.678 5.087 1.00 0.00 C ATOM 0 H ILE A 113 7.768 -4.297 5.701 1.00 0.00 H new ATOM 0 HA ILE A 113 6.351 -1.973 5.949 1.00 0.00 H new ATOM 0 HB ILE A 113 6.030 -4.766 7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.469 -4.218 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.065 -4.755 5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.857 -4.195 8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.207 -3.393 8.865 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.183 -2.469 7.740 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.511 -2.846 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.335 -2.412 5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.761 -1.866 4.954 1.00 0.00 H new ATOM 1800 N LYS A 114 7.520 -2.919 8.910 1.00 0.00 N ATOM 1801 CA LYS A 114 7.853 -2.416 10.232 1.00 0.00 C ATOM 1802 C LYS A 114 8.645 -1.132 10.087 1.00 0.00 C ATOM 1803 O LYS A 114 8.203 -0.059 10.497 1.00 0.00 O ATOM 1804 CB LYS A 114 8.659 -3.452 11.016 1.00 0.00 C ATOM 1805 CG LYS A 114 8.992 -3.019 12.435 1.00 0.00 C ATOM 1806 CD LYS A 114 10.349 -2.338 12.510 1.00 0.00 C ATOM 1807 CE LYS A 114 11.467 -3.269 12.070 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.750 -2.964 12.762 1.00 0.00 N ATOM 0 H LYS A 114 7.723 -3.908 8.768 1.00 0.00 H new ATOM 0 HA LYS A 114 6.934 -2.218 10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.097 -4.385 11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.586 -3.659 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.222 -2.338 12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.984 -3.888 13.092 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.346 -1.449 11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.533 -2.004 13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.181 -4.301 12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.607 -3.184 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.486 -3.621 12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.037 -1.988 12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.624 -3.070 13.789 1.00 0.00 H new ATOM 1822 N HIS A 115 9.819 -1.253 9.484 1.00 0.00 N ATOM 1823 CA HIS A 115 10.684 -0.105 9.260 1.00 0.00 C ATOM 1824 C HIS A 115 9.914 1.033 8.594 1.00 0.00 C ATOM 1825 O HIS A 115 10.252 2.203 8.766 1.00 0.00 O ATOM 1826 CB HIS A 115 11.879 -0.504 8.397 1.00 0.00 C ATOM 1827 CG HIS A 115 13.094 0.338 8.632 1.00 0.00 C ATOM 1828 ND1 HIS A 115 14.160 0.380 7.758 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.412 1.172 9.650 1.00 0.00 C ATOM 1830 CE1 HIS A 115 15.080 1.203 8.228 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.650 1.697 9.375 1.00 0.00 N ATOM 0 H HIS A 115 10.194 -2.137 9.141 1.00 0.00 H new ATOM 0 HA HIS A 115 11.045 0.243 10.228 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.126 -1.547 8.593 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.597 -0.435 7.346 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.804 1.385 10.517 1.00 0.00 H new ATOM 0 HE1 HIS A 115 16.023 1.433 7.755 1.00 0.00 H new ATOM 0 HE2 HIS A 115 15.156 2.361 9.961 1.00 0.00 H new ATOM 1840 N ALA A 116 8.871 0.684 7.840 1.00 0.00 N ATOM 1841 CA ALA A 116 8.057 1.688 7.167 1.00 0.00 C ATOM 1842 C ALA A 116 7.298 2.531 8.187 1.00 0.00 C ATOM 1843 O ALA A 116 7.170 3.746 8.034 1.00 0.00 O ATOM 1844 CB ALA A 116 7.090 1.022 6.198 1.00 0.00 C ATOM 0 H ALA A 116 8.574 -0.279 7.683 1.00 0.00 H new ATOM 0 HA ALA A 116 8.716 2.346 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.489 1.784 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.652 0.461 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.436 0.343 6.745 1.00 0.00 H new ATOM 1850 N PHE A 117 6.799 1.873 9.227 1.00 0.00 N ATOM 1851 CA PHE A 117 6.053 2.548 10.280 1.00 0.00 C ATOM 1852 C PHE A 117 6.974 3.397 11.153 1.00 0.00 C ATOM 1853 O PHE A 117 6.557 4.415 11.704 1.00 0.00 O ATOM 1854 CB PHE A 117 5.323 1.518 11.141 1.00 0.00 C ATOM 1855 CG PHE A 117 3.985 1.121 10.591 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.864 0.056 9.712 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.846 1.818 10.954 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.629 -0.303 9.206 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.609 1.464 10.454 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.501 0.403 9.579 1.00 0.00 C ATOM 0 H PHE A 117 6.899 0.867 9.363 1.00 0.00 H new ATOM 0 HA PHE A 117 5.326 3.211 9.810 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.946 0.629 11.237 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.189 1.923 12.144 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.743 -0.499 9.420 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.926 2.650 11.638 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.546 -1.133 8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.728 2.016 10.747 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.535 0.124 9.185 1.00 0.00 H new ATOM 1870 N GLU A 118 8.227 2.969 11.281 1.00 0.00 N ATOM 1871 CA GLU A 118 9.202 3.689 12.094 1.00 0.00 C ATOM 1872 C GLU A 118 9.925 4.757 11.279 1.00 0.00 C ATOM 1873 O GLU A 118 10.220 5.841 11.782 1.00 0.00 O ATOM 1874 CB GLU A 118 10.217 2.716 12.687 1.00 0.00 C ATOM 1875 CG GLU A 118 9.808 2.160 14.042 1.00 0.00 C ATOM 1876 CD GLU A 118 10.659 2.701 15.175 1.00 0.00 C ATOM 1877 OE1 GLU A 118 11.208 3.813 15.026 1.00 0.00 O ATOM 1878 OE2 GLU A 118 10.776 2.013 16.211 1.00 0.00 O ATOM 0 H GLU A 118 8.591 2.128 10.833 1.00 0.00 H new ATOM 0 HA GLU A 118 8.661 4.184 12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.363 1.888 11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.178 3.222 12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.762 2.403 14.230 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.884 1.073 14.023 1.00 0.00 H new