USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 SER OG : rot -49:sc= 1.08 USER MOD Set 1.2: A 5 SER OG : rot 100:sc= 0.0127 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.896 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc=-0.00299 (180deg=-0.0388) USER MOD Single : A 17 GLN : amide:sc= -0.0525 X(o=-0.053,f=-0.19) USER MOD Single : A 20 SER OG : rot 61:sc= 0.719 USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= 1.06 (180deg=-0.075) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.038 K(o=-0.038,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 69:sc= -0.351! USER MOD Single : A 64 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 65 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.79) USER MOD Single : A 71 GLN : amide:sc= -1.95 K(o=-2,f=-7.4!) USER MOD Single : A 72 CYS SG : rot 119:sc= -3.07 USER MOD Single : A 76 CYS SG : rot 14:sc= -2.24 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -44:sc= 0.896 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0909 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.112 1.017 7.470 1.00 0.00 N ATOM 2 CA GLY A 1 18.451 0.909 6.829 1.00 0.00 C ATOM 3 C GLY A 1 19.475 0.250 7.732 1.00 0.00 C ATOM 4 O GLY A 1 19.594 0.600 8.907 1.00 0.00 O ATOM 0 H1 GLY A 1 16.448 1.474 6.813 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.764 0.067 7.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.187 1.586 8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.363 0.336 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.800 1.904 6.555 1.00 0.00 H new ATOM 10 N SER A 2 20.216 -0.707 7.184 1.00 0.00 N ATOM 11 CA SER A 2 21.236 -1.419 7.946 1.00 0.00 C ATOM 12 C SER A 2 20.615 -2.163 9.124 1.00 0.00 C ATOM 13 O SER A 2 19.561 -1.777 9.629 1.00 0.00 O ATOM 14 CB SER A 2 22.302 -0.443 8.449 1.00 0.00 C ATOM 15 OG SER A 2 23.091 -1.030 9.468 1.00 0.00 O ATOM 0 H SER A 2 20.129 -1.008 6.213 1.00 0.00 H new ATOM 0 HA SER A 2 21.704 -2.148 7.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.941 -0.139 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.823 0.459 8.830 1.00 0.00 H new ATOM 0 HG SER A 2 23.765 -0.387 9.771 1.00 0.00 H new ATOM 21 N SER A 3 21.275 -3.234 9.555 1.00 0.00 N ATOM 22 CA SER A 3 20.789 -4.035 10.673 1.00 0.00 C ATOM 23 C SER A 3 19.389 -4.573 10.390 1.00 0.00 C ATOM 24 O SER A 3 18.814 -4.311 9.333 1.00 0.00 O ATOM 25 CB SER A 3 20.778 -3.204 11.957 1.00 0.00 C ATOM 26 OG SER A 3 19.615 -2.398 12.037 1.00 0.00 O ATOM 0 H SER A 3 22.148 -3.567 9.146 1.00 0.00 H new ATOM 0 HA SER A 3 21.465 -4.881 10.801 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.825 -3.866 12.822 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.665 -2.571 11.991 1.00 0.00 H new ATOM 0 HG SER A 3 19.488 -1.921 11.190 1.00 0.00 H new ATOM 32 N GLY A 4 18.846 -5.327 11.340 1.00 0.00 N ATOM 33 CA GLY A 4 17.520 -5.889 11.173 1.00 0.00 C ATOM 34 C GLY A 4 16.422 -4.880 11.452 1.00 0.00 C ATOM 35 O GLY A 4 15.989 -4.725 12.593 1.00 0.00 O ATOM 0 H GLY A 4 19.301 -5.559 12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.414 -6.265 10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.404 -6.742 11.842 1.00 0.00 H new ATOM 39 N SER A 5 15.975 -4.192 10.407 1.00 0.00 N ATOM 40 CA SER A 5 14.922 -3.191 10.545 1.00 0.00 C ATOM 41 C SER A 5 13.955 -3.253 9.368 1.00 0.00 C ATOM 42 O SER A 5 14.016 -4.170 8.548 1.00 0.00 O ATOM 43 CB SER A 5 15.531 -1.792 10.648 1.00 0.00 C ATOM 44 OG SER A 5 16.764 -1.822 11.347 1.00 0.00 O ATOM 0 H SER A 5 16.325 -4.309 9.456 1.00 0.00 H new ATOM 0 HA SER A 5 14.367 -3.406 11.458 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.686 -1.385 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.836 -1.126 11.159 1.00 0.00 H new ATOM 0 HG SER A 5 17.504 -1.805 10.705 1.00 0.00 H new ATOM 50 N SER A 6 13.064 -2.270 9.288 1.00 0.00 N ATOM 51 CA SER A 6 12.083 -2.213 8.210 1.00 0.00 C ATOM 52 C SER A 6 11.995 -0.805 7.629 1.00 0.00 C ATOM 53 O SER A 6 11.971 0.181 8.365 1.00 0.00 O ATOM 54 CB SER A 6 10.710 -2.654 8.718 1.00 0.00 C ATOM 55 OG SER A 6 10.717 -4.022 9.085 1.00 0.00 O ATOM 0 H SER A 6 13.001 -1.502 9.957 1.00 0.00 H new ATOM 0 HA SER A 6 12.406 -2.893 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.424 -2.046 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.961 -2.486 7.944 1.00 0.00 H new ATOM 0 HG SER A 6 9.828 -4.279 9.408 1.00 0.00 H new ATOM 61 N GLY A 7 11.947 -0.721 6.302 1.00 0.00 N ATOM 62 CA GLY A 7 11.861 0.570 5.645 1.00 0.00 C ATOM 63 C GLY A 7 10.535 1.261 5.894 1.00 0.00 C ATOM 64 O GLY A 7 10.364 1.945 6.902 1.00 0.00 O ATOM 0 H GLY A 7 11.966 -1.523 5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.671 1.208 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.003 0.438 4.572 1.00 0.00 H new ATOM 68 N ILE A 8 9.595 1.082 4.971 1.00 0.00 N ATOM 69 CA ILE A 8 8.277 1.693 5.094 1.00 0.00 C ATOM 70 C ILE A 8 7.249 0.684 5.594 1.00 0.00 C ATOM 71 O ILE A 8 7.084 -0.389 5.014 1.00 0.00 O ATOM 72 CB ILE A 8 7.800 2.274 3.749 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.876 3.180 3.149 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.498 3.040 3.933 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.556 3.654 1.749 1.00 0.00 C ATOM 0 H ILE A 8 9.722 0.519 4.130 1.00 0.00 H new ATOM 0 HA ILE A 8 8.369 2.503 5.818 1.00 0.00 H new ATOM 0 HB ILE A 8 7.619 1.450 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.011 4.047 3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.824 2.643 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.175 3.444 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.732 2.368 4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.653 3.857 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.363 4.292 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.450 2.793 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.624 4.219 1.760 1.00 0.00 H new ATOM 87 N ASP A 9 6.560 1.035 6.675 1.00 0.00 N ATOM 88 CA ASP A 9 5.548 0.161 7.254 1.00 0.00 C ATOM 89 C ASP A 9 4.368 0.971 7.783 1.00 0.00 C ATOM 90 O ASP A 9 4.284 2.178 7.564 1.00 0.00 O ATOM 91 CB ASP A 9 6.152 -0.678 8.381 1.00 0.00 C ATOM 92 CG ASP A 9 5.615 -2.097 8.398 1.00 0.00 C ATOM 93 OD1 ASP A 9 4.529 -2.327 7.824 1.00 0.00 O ATOM 94 OD2 ASP A 9 6.280 -2.977 8.985 1.00 0.00 O ATOM 0 H ASP A 9 6.685 1.919 7.168 1.00 0.00 H new ATOM 0 HA ASP A 9 5.187 -0.504 6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.236 -0.704 8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.941 -0.201 9.338 1.00 0.00 H new ATOM 99 N VAL A 10 3.459 0.297 8.480 1.00 0.00 N ATOM 100 CA VAL A 10 2.285 0.954 9.040 1.00 0.00 C ATOM 101 C VAL A 10 2.683 1.977 10.099 1.00 0.00 C ATOM 102 O VAL A 10 3.420 1.665 11.033 1.00 0.00 O ATOM 103 CB VAL A 10 1.314 -0.065 9.665 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.028 0.620 10.105 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.016 -1.191 8.686 1.00 0.00 C ATOM 0 H VAL A 10 3.513 -0.704 8.670 1.00 0.00 H new ATOM 0 HA VAL A 10 1.783 1.462 8.217 1.00 0.00 H new ATOM 0 HB VAL A 10 1.790 -0.496 10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.645 -0.117 10.544 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.259 1.387 10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.452 1.081 9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.328 -1.901 9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.563 -0.779 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.943 -1.701 8.425 1.00 0.00 H new ATOM 115 N GLY A 11 2.187 3.201 9.946 1.00 0.00 N ATOM 116 CA GLY A 11 2.501 4.252 10.896 1.00 0.00 C ATOM 117 C GLY A 11 3.773 4.996 10.540 1.00 0.00 C ATOM 118 O GLY A 11 4.598 5.278 11.408 1.00 0.00 O ATOM 0 H GLY A 11 1.574 3.483 9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.671 4.958 10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.604 3.819 11.891 1.00 0.00 H new ATOM 122 N CYS A 12 3.933 5.313 9.259 1.00 0.00 N ATOM 123 CA CYS A 12 5.115 6.028 8.792 1.00 0.00 C ATOM 124 C CYS A 12 4.747 7.047 7.715 1.00 0.00 C ATOM 125 O CYS A 12 3.954 6.755 6.821 1.00 0.00 O ATOM 126 CB CYS A 12 6.149 5.041 8.244 1.00 0.00 C ATOM 127 SG CYS A 12 7.861 5.473 8.638 1.00 0.00 S ATOM 0 H CYS A 12 3.260 5.086 8.527 1.00 0.00 H new ATOM 0 HA CYS A 12 5.544 6.562 9.640 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.935 4.049 8.641 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.040 4.981 7.161 1.00 0.00 H new ATOM 0 HG CYS A 12 8.661 4.580 8.135 1.00 0.00 H new ATOM 133 N PRO A 13 5.320 8.263 7.785 1.00 0.00 N ATOM 134 CA PRO A 13 5.045 9.321 6.809 1.00 0.00 C ATOM 135 C PRO A 13 5.767 9.091 5.486 1.00 0.00 C ATOM 136 O PRO A 13 6.997 9.080 5.432 1.00 0.00 O ATOM 137 CB PRO A 13 5.579 10.574 7.498 1.00 0.00 C ATOM 138 CG PRO A 13 6.684 10.081 8.367 1.00 0.00 C ATOM 139 CD PRO A 13 6.280 8.701 8.818 1.00 0.00 C ATOM 0 HA PRO A 13 3.988 9.375 6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.940 11.303 6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.803 11.066 8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.626 10.051 7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.832 10.742 9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.138 8.032 8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.823 8.721 9.807 1.00 0.00 H new ATOM 147 N VAL A 14 4.994 8.906 4.421 1.00 0.00 N ATOM 148 CA VAL A 14 5.561 8.677 3.097 1.00 0.00 C ATOM 149 C VAL A 14 4.710 9.330 2.013 1.00 0.00 C ATOM 150 O VAL A 14 3.481 9.282 2.062 1.00 0.00 O ATOM 151 CB VAL A 14 5.693 7.172 2.793 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.842 6.566 3.584 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.389 6.447 3.093 1.00 0.00 C ATOM 0 H VAL A 14 3.974 8.910 4.449 1.00 0.00 H new ATOM 0 HA VAL A 14 6.553 9.128 3.097 1.00 0.00 H new ATOM 0 HB VAL A 14 5.910 7.054 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.920 5.503 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.773 7.064 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.658 6.696 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.503 5.386 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.137 6.573 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.592 6.862 2.477 1.00 0.00 H new ATOM 163 N LYS A 15 5.373 9.941 1.038 1.00 0.00 N ATOM 164 CA LYS A 15 4.680 10.607 -0.059 1.00 0.00 C ATOM 165 C LYS A 15 4.229 9.602 -1.113 1.00 0.00 C ATOM 166 O LYS A 15 4.944 8.649 -1.422 1.00 0.00 O ATOM 167 CB LYS A 15 5.585 11.662 -0.697 1.00 0.00 C ATOM 168 CG LYS A 15 6.255 12.580 0.312 1.00 0.00 C ATOM 169 CD LYS A 15 7.707 12.846 -0.055 1.00 0.00 C ATOM 170 CE LYS A 15 8.146 14.236 0.378 1.00 0.00 C ATOM 171 NZ LYS A 15 9.569 14.257 0.815 1.00 0.00 N ATOM 0 H LYS A 15 6.390 9.989 0.985 1.00 0.00 H new ATOM 0 HA LYS A 15 3.796 11.096 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.353 11.161 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.995 12.264 -1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.713 13.524 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.206 12.130 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.345 12.099 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.836 12.742 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.009 14.934 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.510 14.580 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.747 15.114 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.767 13.416 1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.189 14.256 -0.020 1.00 0.00 H new ATOM 185 N VAL A 16 3.039 9.822 -1.661 1.00 0.00 N ATOM 186 CA VAL A 16 2.489 8.938 -2.681 1.00 0.00 C ATOM 187 C VAL A 16 2.330 9.668 -4.011 1.00 0.00 C ATOM 188 O VAL A 16 1.823 10.788 -4.057 1.00 0.00 O ATOM 189 CB VAL A 16 1.123 8.367 -2.254 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.635 7.335 -3.260 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.206 7.765 -0.860 1.00 0.00 C ATOM 0 H VAL A 16 2.436 10.607 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 16 3.195 8.116 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 16 0.402 9.184 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.331 6.944 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.531 7.802 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.355 6.519 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.231 7.367 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.942 6.961 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.504 8.535 -0.148 1.00 0.00 H new ATOM 201 N GLN A 17 2.768 9.027 -5.089 1.00 0.00 N ATOM 202 CA GLN A 17 2.674 9.617 -6.420 1.00 0.00 C ATOM 203 C GLN A 17 1.406 9.157 -7.131 1.00 0.00 C ATOM 204 O GLN A 17 1.192 7.961 -7.328 1.00 0.00 O ATOM 205 CB GLN A 17 3.903 9.246 -7.252 1.00 0.00 C ATOM 206 CG GLN A 17 4.270 10.290 -8.294 1.00 0.00 C ATOM 207 CD GLN A 17 5.734 10.234 -8.686 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.337 9.162 -8.723 1.00 0.00 O ATOM 209 NE2 GLN A 17 6.312 11.392 -8.981 1.00 0.00 N ATOM 0 H GLN A 17 3.191 8.099 -5.068 1.00 0.00 H new ATOM 0 HA GLN A 17 2.633 10.700 -6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.752 9.097 -6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.720 8.295 -7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.654 10.144 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.039 11.282 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.773 12.257 -8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.295 11.417 -9.252 1.00 0.00 H new ATOM 218 N LEU A 18 0.568 10.115 -7.516 1.00 0.00 N ATOM 219 CA LEU A 18 -0.678 9.808 -8.208 1.00 0.00 C ATOM 220 C LEU A 18 -0.547 10.065 -9.704 1.00 0.00 C ATOM 221 O LEU A 18 -0.812 9.183 -10.522 1.00 0.00 O ATOM 222 CB LEU A 18 -1.824 10.645 -7.632 1.00 0.00 C ATOM 223 CG LEU A 18 -2.238 10.282 -6.204 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.423 11.124 -5.763 1.00 0.00 C ATOM 225 CD2 LEU A 18 -2.567 8.800 -6.108 1.00 0.00 C ATOM 0 H LEU A 18 0.730 11.110 -7.360 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.898 8.751 -8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.533 11.695 -7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.692 10.541 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.402 10.493 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.704 10.852 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.152 12.179 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.265 10.945 -6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.860 8.558 -5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.387 8.565 -6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.690 8.214 -6.383 1.00 0.00 H new ATOM 237 N ARG A 19 -0.138 11.279 -10.057 1.00 0.00 N ATOM 238 CA ARG A 19 0.028 11.653 -11.458 1.00 0.00 C ATOM 239 C ARG A 19 1.087 10.784 -12.130 1.00 0.00 C ATOM 240 O ARG A 19 1.608 9.845 -11.528 1.00 0.00 O ATOM 241 CB ARG A 19 0.412 13.130 -11.569 1.00 0.00 C ATOM 242 CG ARG A 19 -0.691 14.002 -12.148 1.00 0.00 C ATOM 243 CD ARG A 19 -1.517 14.659 -11.054 1.00 0.00 C ATOM 244 NE ARG A 19 -1.778 16.068 -11.337 1.00 0.00 N ATOM 245 CZ ARG A 19 -2.511 16.494 -12.363 1.00 0.00 C ATOM 246 NH1 ARG A 19 -3.059 15.625 -13.203 1.00 0.00 N ATOM 247 NH2 ARG A 19 -2.696 17.794 -12.549 1.00 0.00 N ATOM 0 H ARG A 19 0.085 12.021 -9.393 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.922 11.494 -11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.678 13.503 -10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.301 13.220 -12.193 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.252 14.770 -12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.340 13.397 -12.781 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.464 14.129 -10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.993 14.571 -10.102 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.375 16.766 -10.712 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.920 14.624 -13.064 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.620 15.958 -13.987 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.277 18.466 -11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.257 18.122 -13.335 1.00 0.00 H new ATOM 261 N SER A 20 1.401 11.105 -13.381 1.00 0.00 N ATOM 262 CA SER A 20 2.399 10.354 -14.135 1.00 0.00 C ATOM 263 C SER A 20 3.779 10.990 -13.996 1.00 0.00 C ATOM 264 O SER A 20 4.479 11.204 -14.986 1.00 0.00 O ATOM 265 CB SER A 20 2.001 10.279 -15.612 1.00 0.00 C ATOM 266 OG SER A 20 2.235 11.515 -16.266 1.00 0.00 O ATOM 0 H SER A 20 0.979 11.879 -13.894 1.00 0.00 H new ATOM 0 HA SER A 20 2.444 9.344 -13.727 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.568 9.490 -16.105 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.947 10.014 -15.695 1.00 0.00 H new ATOM 0 HG SER A 20 3.189 11.733 -16.221 1.00 0.00 H new ATOM 272 N GLY A 21 4.162 11.291 -12.760 1.00 0.00 N ATOM 273 CA GLY A 21 5.456 11.900 -12.513 1.00 0.00 C ATOM 274 C GLY A 21 5.376 13.410 -12.414 1.00 0.00 C ATOM 275 O GLY A 21 6.035 14.125 -13.169 1.00 0.00 O ATOM 0 H GLY A 21 3.600 11.124 -11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.872 11.500 -11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.142 11.627 -13.315 1.00 0.00 H new ATOM 279 N GLU A 22 4.565 13.898 -11.481 1.00 0.00 N ATOM 280 CA GLU A 22 4.400 15.333 -11.285 1.00 0.00 C ATOM 281 C GLU A 22 4.774 15.735 -9.862 1.00 0.00 C ATOM 282 O GLU A 22 5.574 16.647 -9.654 1.00 0.00 O ATOM 283 CB GLU A 22 2.956 15.746 -11.582 1.00 0.00 C ATOM 284 CG GLU A 22 2.814 17.200 -12.002 1.00 0.00 C ATOM 285 CD GLU A 22 1.430 17.519 -12.535 1.00 0.00 C ATOM 286 OE1 GLU A 22 0.867 16.679 -13.266 1.00 0.00 O ATOM 287 OE2 GLU A 22 0.910 18.610 -12.220 1.00 0.00 O ATOM 0 H GLU A 22 4.012 13.320 -10.849 1.00 0.00 H new ATOM 0 HA GLU A 22 5.068 15.848 -11.975 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.559 15.108 -12.372 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.347 15.571 -10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.028 17.844 -11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.556 17.428 -12.767 1.00 0.00 H new ATOM 294 N GLU A 23 4.189 15.050 -8.886 1.00 0.00 N ATOM 295 CA GLU A 23 4.462 15.335 -7.482 1.00 0.00 C ATOM 296 C GLU A 23 3.862 14.260 -6.583 1.00 0.00 C ATOM 297 O GLU A 23 2.868 13.623 -6.937 1.00 0.00 O ATOM 298 CB GLU A 23 3.902 16.706 -7.100 1.00 0.00 C ATOM 299 CG GLU A 23 2.456 16.912 -7.522 1.00 0.00 C ATOM 300 CD GLU A 23 2.091 18.378 -7.654 1.00 0.00 C ATOM 301 OE1 GLU A 23 2.535 19.180 -6.806 1.00 0.00 O ATOM 302 OE2 GLU A 23 1.360 18.724 -8.606 1.00 0.00 O ATOM 0 H GLU A 23 3.523 14.293 -9.041 1.00 0.00 H new ATOM 0 HA GLU A 23 5.543 15.340 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.978 16.832 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.519 17.481 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.284 16.411 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.798 16.442 -6.792 1.00 0.00 H new ATOM 309 N LYS A 24 4.471 14.062 -5.418 1.00 0.00 N ATOM 310 CA LYS A 24 3.996 13.063 -4.468 1.00 0.00 C ATOM 311 C LYS A 24 3.337 13.728 -3.263 1.00 0.00 C ATOM 312 O LYS A 24 3.830 14.731 -2.748 1.00 0.00 O ATOM 313 CB LYS A 24 5.155 12.179 -4.005 1.00 0.00 C ATOM 314 CG LYS A 24 5.792 11.373 -5.125 1.00 0.00 C ATOM 315 CD LYS A 24 6.278 10.020 -4.632 1.00 0.00 C ATOM 316 CE LYS A 24 7.488 9.542 -5.420 1.00 0.00 C ATOM 317 NZ LYS A 24 7.456 8.072 -5.649 1.00 0.00 N ATOM 0 H LYS A 24 5.294 14.580 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 24 3.253 12.444 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.917 12.806 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.795 11.495 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.069 11.230 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.629 11.930 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.534 10.087 -3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.474 9.289 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.523 10.058 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.399 9.806 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.363 7.655 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.686 7.650 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.296 7.881 -6.659 1.00 0.00 H new ATOM 331 N PHE A 25 2.219 13.161 -2.820 1.00 0.00 N ATOM 332 CA PHE A 25 1.492 13.700 -1.676 1.00 0.00 C ATOM 333 C PHE A 25 1.900 12.984 -0.388 1.00 0.00 C ATOM 334 O PHE A 25 1.789 11.762 -0.289 1.00 0.00 O ATOM 335 CB PHE A 25 -0.016 13.558 -1.894 1.00 0.00 C ATOM 336 CG PHE A 25 -0.514 14.281 -3.113 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.148 15.595 -3.354 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.349 13.644 -4.017 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.604 16.261 -4.475 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.810 14.305 -5.140 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.436 15.616 -5.370 1.00 0.00 C ATOM 0 H PHE A 25 1.798 12.330 -3.235 1.00 0.00 H new ATOM 0 HA PHE A 25 1.742 14.757 -1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.265 12.500 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.540 13.937 -1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.501 16.105 -2.658 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.643 12.620 -3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.310 17.285 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.461 13.798 -5.837 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.793 16.135 -6.247 1.00 0.00 H new ATOM 351 N PRO A 26 2.378 13.735 0.622 1.00 0.00 N ATOM 352 CA PRO A 26 2.800 13.156 1.903 1.00 0.00 C ATOM 353 C PRO A 26 1.634 12.548 2.674 1.00 0.00 C ATOM 354 O PRO A 26 0.543 13.117 2.720 1.00 0.00 O ATOM 355 CB PRO A 26 3.382 14.350 2.666 1.00 0.00 C ATOM 356 CG PRO A 26 2.745 15.545 2.047 1.00 0.00 C ATOM 357 CD PRO A 26 2.545 15.200 0.599 1.00 0.00 C ATOM 0 HA PRO A 26 3.509 12.339 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.155 14.288 3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.467 14.388 2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.795 15.775 2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.378 16.425 2.155 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.669 15.699 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.400 15.498 -0.008 1.00 0.00 H new ATOM 365 N GLY A 27 1.871 11.390 3.278 1.00 0.00 N ATOM 366 CA GLY A 27 0.830 10.722 4.039 1.00 0.00 C ATOM 367 C GLY A 27 1.370 9.602 4.904 1.00 0.00 C ATOM 368 O GLY A 27 2.332 8.929 4.533 1.00 0.00 O ATOM 0 H GLY A 27 2.766 10.901 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.322 11.451 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.085 10.320 3.353 1.00 0.00 H new ATOM 372 N VAL A 28 0.749 9.400 6.062 1.00 0.00 N ATOM 373 CA VAL A 28 1.172 8.354 6.983 1.00 0.00 C ATOM 374 C VAL A 28 0.570 7.007 6.593 1.00 0.00 C ATOM 375 O VAL A 28 -0.555 6.939 6.097 1.00 0.00 O ATOM 376 CB VAL A 28 0.774 8.687 8.435 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.736 8.825 8.561 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.303 7.630 9.394 1.00 0.00 C ATOM 0 H VAL A 28 -0.049 9.948 6.384 1.00 0.00 H new ATOM 0 HA VAL A 28 2.259 8.295 6.921 1.00 0.00 H new ATOM 0 HB VAL A 28 1.225 9.643 8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.995 9.060 9.593 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.084 9.626 7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.212 7.888 8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.011 7.884 10.413 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.887 6.658 9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.390 7.590 9.328 1.00 0.00 H new ATOM 388 N VAL A 29 1.325 5.937 6.820 1.00 0.00 N ATOM 389 CA VAL A 29 0.865 4.595 6.490 1.00 0.00 C ATOM 390 C VAL A 29 -0.121 4.079 7.533 1.00 0.00 C ATOM 391 O VAL A 29 0.069 4.276 8.733 1.00 0.00 O ATOM 392 CB VAL A 29 2.043 3.608 6.382 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.569 2.265 5.850 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.140 4.183 5.499 1.00 0.00 C ATOM 0 H VAL A 29 2.258 5.974 7.231 1.00 0.00 H new ATOM 0 HA VAL A 29 0.366 4.661 5.523 1.00 0.00 H new ATOM 0 HB VAL A 29 2.455 3.451 7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.415 1.582 5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.821 1.849 6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.130 2.400 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.964 3.473 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.743 4.371 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.500 5.118 5.928 1.00 0.00 H new ATOM 404 N ARG A 30 -1.175 3.415 7.067 1.00 0.00 N ATOM 405 CA ARG A 30 -2.191 2.870 7.959 1.00 0.00 C ATOM 406 C ARG A 30 -2.255 1.350 7.843 1.00 0.00 C ATOM 407 O ARG A 30 -2.407 0.647 8.843 1.00 0.00 O ATOM 408 CB ARG A 30 -3.559 3.473 7.637 1.00 0.00 C ATOM 409 CG ARG A 30 -3.566 4.993 7.614 1.00 0.00 C ATOM 410 CD ARG A 30 -3.140 5.576 8.952 1.00 0.00 C ATOM 411 NE ARG A 30 -4.161 6.456 9.516 1.00 0.00 N ATOM 412 CZ ARG A 30 -5.218 6.025 10.200 1.00 0.00 C ATOM 413 NH1 ARG A 30 -5.397 4.728 10.414 1.00 0.00 N ATOM 414 NH2 ARG A 30 -6.101 6.895 10.672 1.00 0.00 N ATOM 0 H ARG A 30 -1.347 3.242 6.077 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.918 3.130 8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.891 3.102 6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.282 3.126 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.895 5.349 6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.565 5.349 7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.933 4.766 9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.211 6.133 8.826 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.057 7.461 9.377 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.722 4.054 10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.210 4.405 10.939 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.970 7.894 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.911 6.565 11.196 1.00 0.00 H new ATOM 428 N PHE A 31 -2.140 0.851 6.617 1.00 0.00 N ATOM 429 CA PHE A 31 -2.186 -0.585 6.369 1.00 0.00 C ATOM 430 C PHE A 31 -1.162 -0.985 5.311 1.00 0.00 C ATOM 431 O PHE A 31 -0.647 -0.139 4.581 1.00 0.00 O ATOM 432 CB PHE A 31 -3.589 -0.999 5.921 1.00 0.00 C ATOM 433 CG PHE A 31 -3.773 -2.486 5.815 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.164 -3.229 6.917 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.557 -3.140 4.613 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.334 -4.597 6.823 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.726 -4.507 4.512 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.116 -5.237 5.619 1.00 0.00 C ATOM 0 H PHE A 31 -2.014 1.420 5.780 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.942 -1.100 7.298 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.319 -0.601 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.801 -0.545 4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.338 -2.733 7.861 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.253 -2.574 3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.637 -5.165 7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.554 -5.005 3.569 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.250 -6.306 5.542 1.00 0.00 H new ATOM 448 N ARG A 32 -0.871 -2.280 5.235 1.00 0.00 N ATOM 449 CA ARG A 32 0.092 -2.790 4.265 1.00 0.00 C ATOM 450 C ARG A 32 -0.122 -4.280 4.017 1.00 0.00 C ATOM 451 O ARG A 32 -0.407 -5.039 4.943 1.00 0.00 O ATOM 452 CB ARG A 32 1.520 -2.540 4.752 1.00 0.00 C ATOM 453 CG ARG A 32 2.587 -3.015 3.780 1.00 0.00 C ATOM 454 CD ARG A 32 3.813 -3.540 4.509 1.00 0.00 C ATOM 455 NE ARG A 32 3.538 -4.792 5.210 1.00 0.00 N ATOM 456 CZ ARG A 32 3.489 -5.981 4.613 1.00 0.00 C ATOM 457 NH1 ARG A 32 3.691 -6.083 3.306 1.00 0.00 N ATOM 458 NH2 ARG A 32 3.237 -7.070 5.327 1.00 0.00 N ATOM 0 H ARG A 32 -1.287 -2.994 5.832 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.061 -2.259 3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.652 -1.473 4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.662 -3.043 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.177 -3.800 3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.876 -2.193 3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.621 -3.695 3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.158 -2.793 5.223 1.00 0.00 H new ATOM 0 HE ARG A 32 3.374 -4.753 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.885 -5.248 2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.652 -6.996 2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.081 -6.996 6.332 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.199 -7.982 4.871 1.00 0.00 H new ATOM 472 N GLY A 33 0.020 -4.691 2.762 1.00 0.00 N ATOM 473 CA GLY A 33 -0.161 -6.088 2.414 1.00 0.00 C ATOM 474 C GLY A 33 -0.746 -6.269 1.026 1.00 0.00 C ATOM 475 O GLY A 33 -1.326 -5.336 0.469 1.00 0.00 O ATOM 0 H GLY A 33 0.257 -4.082 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.799 -6.601 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.817 -6.560 3.146 1.00 0.00 H new ATOM 479 N PRO A 34 -0.611 -7.469 0.437 1.00 0.00 N ATOM 480 CA PRO A 34 -1.138 -7.755 -0.902 1.00 0.00 C ATOM 481 C PRO A 34 -2.662 -7.806 -0.925 1.00 0.00 C ATOM 482 O PRO A 34 -3.287 -8.394 -0.043 1.00 0.00 O ATOM 483 CB PRO A 34 -0.554 -9.132 -1.228 1.00 0.00 C ATOM 484 CG PRO A 34 -0.306 -9.762 0.099 1.00 0.00 C ATOM 485 CD PRO A 34 0.065 -8.640 1.028 1.00 0.00 C ATOM 0 HA PRO A 34 -0.867 -6.981 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.247 -9.725 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.368 -9.045 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.194 -10.285 0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.495 -10.499 0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.277 -8.831 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.145 -8.499 1.076 1.00 0.00 H new ATOM 493 N LEU A 35 -3.254 -7.184 -1.940 1.00 0.00 N ATOM 494 CA LEU A 35 -4.706 -7.158 -2.079 1.00 0.00 C ATOM 495 C LEU A 35 -5.260 -8.566 -2.270 1.00 0.00 C ATOM 496 O LEU A 35 -5.998 -9.073 -1.425 1.00 0.00 O ATOM 497 CB LEU A 35 -5.110 -6.273 -3.258 1.00 0.00 C ATOM 498 CG LEU A 35 -4.890 -4.774 -3.050 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.287 -3.998 -4.296 1.00 0.00 C ATOM 500 CD2 LEU A 35 -5.675 -4.285 -1.842 1.00 0.00 C ATOM 0 H LEU A 35 -2.751 -6.691 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.127 -6.744 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.549 -6.588 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.165 -6.443 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.830 -4.603 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.124 -2.933 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.682 -4.330 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.341 -4.174 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.508 -3.216 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.738 -4.469 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.343 -4.819 -0.952 1.00 0.00 H new ATOM 512 N LEU A 36 -4.900 -9.191 -3.387 1.00 0.00 N ATOM 513 CA LEU A 36 -5.362 -10.540 -3.689 1.00 0.00 C ATOM 514 C LEU A 36 -4.181 -11.483 -3.905 1.00 0.00 C ATOM 515 O LEU A 36 -3.079 -11.047 -4.233 1.00 0.00 O ATOM 516 CB LEU A 36 -6.257 -10.530 -4.932 1.00 0.00 C ATOM 517 CG LEU A 36 -7.760 -10.487 -4.648 1.00 0.00 C ATOM 518 CD1 LEU A 36 -8.222 -11.794 -4.025 1.00 0.00 C ATOM 519 CD2 LEU A 36 -8.096 -9.313 -3.741 1.00 0.00 C ATOM 0 H LEU A 36 -4.290 -8.785 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.940 -10.899 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.994 -9.667 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.040 -11.419 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.287 -10.353 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.293 -11.745 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.015 -12.617 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.690 -11.959 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.169 -9.297 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.560 -9.417 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.800 -8.383 -4.226 1.00 0.00 H new ATOM 531 N ALA A 37 -4.421 -12.776 -3.715 1.00 0.00 N ATOM 532 CA ALA A 37 -3.378 -13.781 -3.888 1.00 0.00 C ATOM 533 C ALA A 37 -3.062 -13.996 -5.364 1.00 0.00 C ATOM 534 O ALA A 37 -3.908 -13.773 -6.229 1.00 0.00 O ATOM 535 CB ALA A 37 -3.794 -15.091 -3.237 1.00 0.00 C ATOM 0 H ALA A 37 -5.328 -13.153 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.473 -13.418 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.006 -15.832 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.961 -14.931 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.714 -15.450 -3.698 1.00 0.00 H new ATOM 541 N GLU A 38 -1.839 -14.433 -5.644 1.00 0.00 N ATOM 542 CA GLU A 38 -1.409 -14.679 -7.016 1.00 0.00 C ATOM 543 C GLU A 38 -0.369 -15.795 -7.068 1.00 0.00 C ATOM 544 O GLU A 38 0.250 -16.126 -6.058 1.00 0.00 O ATOM 545 CB GLU A 38 -0.838 -13.400 -7.631 1.00 0.00 C ATOM 546 CG GLU A 38 -1.791 -12.710 -8.594 1.00 0.00 C ATOM 547 CD GLU A 38 -2.400 -11.451 -8.011 1.00 0.00 C ATOM 548 OE1 GLU A 38 -1.633 -10.584 -7.540 1.00 0.00 O ATOM 549 OE2 GLU A 38 -3.643 -11.330 -8.023 1.00 0.00 O ATOM 0 H GLU A 38 -1.127 -14.624 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.279 -14.992 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.578 -12.707 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.086 -13.641 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.257 -12.460 -9.511 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.588 -13.401 -8.868 1.00 0.00 H new ATOM 556 N ARG A 39 -0.185 -16.369 -8.251 1.00 0.00 N ATOM 557 CA ARG A 39 0.781 -17.447 -8.435 1.00 0.00 C ATOM 558 C ARG A 39 1.978 -16.971 -9.252 1.00 0.00 C ATOM 559 O ARG A 39 3.099 -17.444 -9.063 1.00 0.00 O ATOM 560 CB ARG A 39 0.117 -18.641 -9.126 1.00 0.00 C ATOM 561 CG ARG A 39 -0.309 -19.738 -8.165 1.00 0.00 C ATOM 562 CD ARG A 39 -1.749 -19.553 -7.713 1.00 0.00 C ATOM 563 NE ARG A 39 -2.328 -20.796 -7.209 1.00 0.00 N ATOM 564 CZ ARG A 39 -2.653 -21.830 -7.983 1.00 0.00 C ATOM 565 NH1 ARG A 39 -2.458 -21.774 -9.294 1.00 0.00 N ATOM 566 NH2 ARG A 39 -3.174 -22.923 -7.442 1.00 0.00 N ATOM 0 H ARG A 39 -0.691 -16.107 -9.097 1.00 0.00 H new ATOM 0 HA ARG A 39 1.136 -17.756 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.757 -18.292 -9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.809 -19.058 -9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.200 -20.709 -8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.349 -19.738 -7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.790 -18.792 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.347 -19.187 -8.548 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.493 -20.877 -6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.057 -20.936 -9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.709 -22.569 -9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.325 -22.971 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.423 -23.716 -8.033 1.00 0.00 H new ATOM 580 N THR A 40 1.733 -16.031 -10.160 1.00 0.00 N ATOM 581 CA THR A 40 2.791 -15.491 -11.006 1.00 0.00 C ATOM 582 C THR A 40 3.431 -14.265 -10.362 1.00 0.00 C ATOM 583 O THR A 40 4.631 -14.035 -10.501 1.00 0.00 O ATOM 584 CB THR A 40 2.235 -15.126 -12.384 1.00 0.00 C ATOM 585 OG1 THR A 40 3.252 -14.581 -13.206 1.00 0.00 O ATOM 586 CG2 THR A 40 1.104 -14.122 -12.326 1.00 0.00 C ATOM 0 H THR A 40 0.811 -15.628 -10.328 1.00 0.00 H new ATOM 0 HA THR A 40 3.556 -16.259 -11.122 1.00 0.00 H new ATOM 0 HB THR A 40 1.850 -16.058 -12.797 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.878 -14.355 -14.083 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.756 -13.907 -13.336 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.283 -14.533 -11.739 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.458 -13.202 -11.861 1.00 0.00 H new ATOM 594 N VAL A 41 2.621 -13.482 -9.657 1.00 0.00 N ATOM 595 CA VAL A 41 3.108 -12.280 -8.992 1.00 0.00 C ATOM 596 C VAL A 41 2.054 -11.708 -8.049 1.00 0.00 C ATOM 597 O VAL A 41 0.926 -11.430 -8.457 1.00 0.00 O ATOM 598 CB VAL A 41 3.516 -11.200 -10.013 1.00 0.00 C ATOM 599 CG1 VAL A 41 2.320 -10.774 -10.852 1.00 0.00 C ATOM 600 CG2 VAL A 41 4.136 -10.002 -9.309 1.00 0.00 C ATOM 0 H VAL A 41 1.624 -13.659 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 41 3.986 -12.570 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 41 4.264 -11.627 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.630 -10.011 -11.566 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.927 -11.637 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.545 -10.369 -10.201 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.417 -9.251 -10.048 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.413 -9.574 -8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.022 -10.321 -8.761 1.00 0.00 H new ATOM 610 N SER A 42 2.430 -11.533 -6.786 1.00 0.00 N ATOM 611 CA SER A 42 1.519 -10.992 -5.785 1.00 0.00 C ATOM 612 C SER A 42 1.771 -9.503 -5.568 1.00 0.00 C ATOM 613 O SER A 42 2.656 -9.119 -4.804 1.00 0.00 O ATOM 614 CB SER A 42 1.674 -11.745 -4.463 1.00 0.00 C ATOM 615 OG SER A 42 0.881 -11.159 -3.445 1.00 0.00 O ATOM 0 H SER A 42 3.360 -11.758 -6.432 1.00 0.00 H new ATOM 0 HA SER A 42 0.500 -11.120 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.385 -12.787 -4.599 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.721 -11.742 -4.160 1.00 0.00 H new ATOM 0 HG SER A 42 0.997 -11.660 -2.611 1.00 0.00 H new ATOM 621 N GLY A 43 0.988 -8.671 -6.246 1.00 0.00 N ATOM 622 CA GLY A 43 1.143 -7.234 -6.115 1.00 0.00 C ATOM 623 C GLY A 43 0.880 -6.749 -4.702 1.00 0.00 C ATOM 624 O GLY A 43 -0.234 -6.873 -4.193 1.00 0.00 O ATOM 0 H GLY A 43 0.249 -8.966 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.154 -6.952 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.459 -6.734 -6.801 1.00 0.00 H new ATOM 628 N ILE A 44 1.909 -6.194 -4.069 1.00 0.00 N ATOM 629 CA ILE A 44 1.784 -5.688 -2.708 1.00 0.00 C ATOM 630 C ILE A 44 1.444 -4.200 -2.705 1.00 0.00 C ATOM 631 O ILE A 44 2.029 -3.418 -3.454 1.00 0.00 O ATOM 632 CB ILE A 44 3.081 -5.907 -1.905 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.564 -7.351 -2.057 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.859 -5.566 -0.439 1.00 0.00 C ATOM 635 CD1 ILE A 44 4.715 -7.504 -3.026 1.00 0.00 C ATOM 0 H ILE A 44 2.837 -6.084 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 44 0.975 -6.246 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 44 3.852 -5.245 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.869 -7.728 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.732 -7.970 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.784 -5.726 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.558 -4.522 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.076 -6.206 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.005 -8.553 -3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.408 -7.158 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.562 -6.912 -2.681 1.00 0.00 H new ATOM 647 N PHE A 45 0.496 -3.817 -1.858 1.00 0.00 N ATOM 648 CA PHE A 45 0.077 -2.424 -1.757 1.00 0.00 C ATOM 649 C PHE A 45 0.350 -1.873 -0.361 1.00 0.00 C ATOM 650 O PHE A 45 0.266 -2.596 0.631 1.00 0.00 O ATOM 651 CB PHE A 45 -1.411 -2.291 -2.088 1.00 0.00 C ATOM 652 CG PHE A 45 -1.722 -2.496 -3.543 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.657 -3.759 -4.109 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.080 -1.424 -4.346 1.00 0.00 C ATOM 655 CE1 PHE A 45 -1.943 -3.950 -5.447 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.368 -1.609 -5.685 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.299 -2.873 -6.237 1.00 0.00 C ATOM 0 H PHE A 45 0.002 -4.452 -1.231 1.00 0.00 H new ATOM 0 HA PHE A 45 0.655 -1.844 -2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.972 -3.016 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.755 -1.301 -1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.379 -4.604 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.134 -0.433 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.888 -4.940 -5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.647 -0.766 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.523 -3.020 -7.283 1.00 0.00 H new ATOM 667 N PHE A 46 0.678 -0.586 -0.292 1.00 0.00 N ATOM 668 CA PHE A 46 0.964 0.064 0.982 1.00 0.00 C ATOM 669 C PHE A 46 -0.027 1.191 1.253 1.00 0.00 C ATOM 670 O PHE A 46 -0.035 2.205 0.553 1.00 0.00 O ATOM 671 CB PHE A 46 2.392 0.610 0.990 1.00 0.00 C ATOM 672 CG PHE A 46 3.438 -0.449 1.188 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.525 -1.526 0.320 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.335 -0.368 2.242 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.487 -2.502 0.500 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.299 -1.341 2.426 1.00 0.00 C ATOM 677 CZ PHE A 46 5.374 -2.410 1.553 1.00 0.00 C ATOM 0 H PHE A 46 0.752 0.027 -1.104 1.00 0.00 H new ATOM 0 HA PHE A 46 0.863 -0.680 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.581 1.124 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.484 1.353 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.834 -1.603 -0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.280 0.465 2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.544 -3.336 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.993 -1.266 3.250 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.126 -3.172 1.695 1.00 0.00 H new ATOM 687 N GLY A 47 -0.861 1.007 2.271 1.00 0.00 N ATOM 688 CA GLY A 47 -1.844 2.018 2.617 1.00 0.00 C ATOM 689 C GLY A 47 -1.212 3.278 3.174 1.00 0.00 C ATOM 690 O GLY A 47 -0.242 3.213 3.928 1.00 0.00 O ATOM 0 H GLY A 47 -0.874 0.176 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.428 2.270 1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.538 1.609 3.351 1.00 0.00 H new ATOM 694 N VAL A 48 -1.765 4.428 2.801 1.00 0.00 N ATOM 695 CA VAL A 48 -1.252 5.712 3.267 1.00 0.00 C ATOM 696 C VAL A 48 -2.350 6.771 3.270 1.00 0.00 C ATOM 697 O VAL A 48 -3.183 6.817 2.366 1.00 0.00 O ATOM 698 CB VAL A 48 -0.085 6.202 2.389 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.542 7.454 2.983 1.00 0.00 C ATOM 700 CG2 VAL A 48 0.957 5.106 2.223 1.00 0.00 C ATOM 0 H VAL A 48 -2.569 4.497 2.177 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.892 5.560 4.285 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.478 6.451 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.364 7.785 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.208 8.242 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.920 7.233 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.773 5.471 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.346 4.823 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.499 4.238 1.749 1.00 0.00 H new ATOM 710 N GLU A 49 -2.345 7.618 4.293 1.00 0.00 N ATOM 711 CA GLU A 49 -3.341 8.677 4.414 1.00 0.00 C ATOM 712 C GLU A 49 -2.782 10.008 3.920 1.00 0.00 C ATOM 713 O GLU A 49 -1.860 10.564 4.514 1.00 0.00 O ATOM 714 CB GLU A 49 -3.800 8.811 5.866 1.00 0.00 C ATOM 715 CG GLU A 49 -5.011 9.713 6.041 1.00 0.00 C ATOM 716 CD GLU A 49 -5.351 9.956 7.499 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.419 10.200 8.293 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.550 9.904 7.845 1.00 0.00 O ATOM 0 H GLU A 49 -1.663 7.592 5.051 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.196 8.410 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.035 7.821 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.977 9.202 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.822 10.668 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.869 9.264 5.542 1.00 0.00 H new ATOM 725 N LEU A 50 -3.347 10.513 2.827 1.00 0.00 N ATOM 726 CA LEU A 50 -2.905 11.779 2.252 1.00 0.00 C ATOM 727 C LEU A 50 -3.015 12.910 3.268 1.00 0.00 C ATOM 728 O LEU A 50 -4.065 13.108 3.882 1.00 0.00 O ATOM 729 CB LEU A 50 -3.731 12.112 1.008 1.00 0.00 C ATOM 730 CG LEU A 50 -3.796 11.003 -0.044 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.156 10.991 -0.725 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.685 11.177 -1.069 1.00 0.00 C ATOM 0 H LEU A 50 -4.112 10.065 2.322 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.858 11.674 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.747 12.356 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.316 13.007 0.545 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.656 10.045 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.183 10.196 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.934 10.818 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.327 11.951 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.746 10.380 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.795 12.142 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.718 11.134 -0.568 1.00 0.00 H new ATOM 744 N LEU A 51 -1.926 13.651 3.441 1.00 0.00 N ATOM 745 CA LEU A 51 -1.898 14.764 4.383 1.00 0.00 C ATOM 746 C LEU A 51 -2.597 15.988 3.800 1.00 0.00 C ATOM 747 O LEU A 51 -3.095 15.953 2.675 1.00 0.00 O ATOM 748 CB LEU A 51 -0.454 15.114 4.750 1.00 0.00 C ATOM 749 CG LEU A 51 0.155 14.258 5.862 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.634 14.571 6.027 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.588 14.480 7.171 1.00 0.00 C ATOM 0 H LEU A 51 -1.050 13.501 2.941 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.430 14.458 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.165 15.019 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.415 16.160 5.055 1.00 0.00 H new ATOM 0 HG LEU A 51 0.056 13.209 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.050 13.953 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.157 14.362 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.757 15.623 6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.142 13.864 7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.520 15.530 7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.635 14.205 7.046 1.00 0.00 H new ATOM 763 N GLU A 52 -2.631 17.069 4.574 1.00 0.00 N ATOM 764 CA GLU A 52 -3.269 18.306 4.135 1.00 0.00 C ATOM 765 C GLU A 52 -2.702 18.771 2.798 1.00 0.00 C ATOM 766 O GLU A 52 -3.397 19.407 2.005 1.00 0.00 O ATOM 767 CB GLU A 52 -3.084 19.401 5.189 1.00 0.00 C ATOM 768 CG GLU A 52 -1.668 19.487 5.734 1.00 0.00 C ATOM 769 CD GLU A 52 -1.197 20.917 5.905 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.591 21.775 5.087 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.432 21.181 6.858 1.00 0.00 O ATOM 0 H GLU A 52 -2.224 17.113 5.508 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.333 18.109 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.356 20.363 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.772 19.219 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.621 18.975 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.990 18.963 5.060 1.00 0.00 H new ATOM 778 N GLU A 53 -1.436 18.451 2.553 1.00 0.00 N ATOM 779 CA GLU A 53 -0.776 18.835 1.310 1.00 0.00 C ATOM 780 C GLU A 53 -1.488 18.226 0.107 1.00 0.00 C ATOM 781 O GLU A 53 -1.786 18.919 -0.867 1.00 0.00 O ATOM 782 CB GLU A 53 0.689 18.393 1.328 1.00 0.00 C ATOM 783 CG GLU A 53 1.595 19.258 0.469 1.00 0.00 C ATOM 784 CD GLU A 53 2.944 19.509 1.114 1.00 0.00 C ATOM 785 OE1 GLU A 53 3.796 18.598 1.083 1.00 0.00 O ATOM 786 OE2 GLU A 53 3.148 20.619 1.650 1.00 0.00 O ATOM 0 H GLU A 53 -0.846 17.926 3.199 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.819 19.921 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.052 18.409 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.753 17.361 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.742 18.776 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.105 20.212 0.277 1.00 0.00 H new ATOM 793 N GLY A 54 -1.758 16.926 0.181 1.00 0.00 N ATOM 794 CA GLY A 54 -2.434 16.245 -0.908 1.00 0.00 C ATOM 795 C GLY A 54 -3.729 15.591 -0.468 1.00 0.00 C ATOM 796 O GLY A 54 -4.072 14.505 -0.932 1.00 0.00 O ATOM 0 H GLY A 54 -1.521 16.332 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.643 16.959 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.771 15.487 -1.326 1.00 0.00 H new ATOM 800 N ARG A 55 -4.447 16.254 0.433 1.00 0.00 N ATOM 801 CA ARG A 55 -5.711 15.730 0.938 1.00 0.00 C ATOM 802 C ARG A 55 -6.813 15.864 -0.109 1.00 0.00 C ATOM 803 O ARG A 55 -6.775 16.759 -0.953 1.00 0.00 O ATOM 804 CB ARG A 55 -6.114 16.463 2.219 1.00 0.00 C ATOM 805 CG ARG A 55 -6.647 15.541 3.304 1.00 0.00 C ATOM 806 CD ARG A 55 -6.285 16.048 4.691 1.00 0.00 C ATOM 807 NE ARG A 55 -6.979 15.310 5.743 1.00 0.00 N ATOM 808 CZ ARG A 55 -6.601 15.305 7.018 1.00 0.00 C ATOM 809 NH1 ARG A 55 -5.534 15.996 7.404 1.00 0.00 N ATOM 810 NH2 ARG A 55 -7.289 14.607 7.912 1.00 0.00 N ATOM 0 H ARG A 55 -4.175 17.154 0.828 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.575 14.672 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.250 17.004 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.875 17.206 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.730 15.461 3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.241 14.539 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.208 15.963 4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.534 17.106 4.766 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.802 14.766 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.000 16.534 6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.249 15.989 8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.109 14.074 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.998 14.604 8.890 1.00 0.00 H new ATOM 824 N GLY A 56 -7.792 14.968 -0.048 1.00 0.00 N ATOM 825 CA GLY A 56 -8.890 15.002 -0.996 1.00 0.00 C ATOM 826 C GLY A 56 -8.559 14.289 -2.293 1.00 0.00 C ATOM 827 O GLY A 56 -9.097 14.626 -3.348 1.00 0.00 O ATOM 0 H GLY A 56 -7.845 14.218 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.769 14.541 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.149 16.039 -1.211 1.00 0.00 H new ATOM 831 N GLN A 57 -7.671 13.304 -2.215 1.00 0.00 N ATOM 832 CA GLN A 57 -7.269 12.543 -3.392 1.00 0.00 C ATOM 833 C GLN A 57 -7.269 11.047 -3.099 1.00 0.00 C ATOM 834 O GLN A 57 -6.415 10.308 -3.589 1.00 0.00 O ATOM 835 CB GLN A 57 -5.881 12.984 -3.861 1.00 0.00 C ATOM 836 CG GLN A 57 -5.861 14.372 -4.480 1.00 0.00 C ATOM 837 CD GLN A 57 -6.544 14.417 -5.834 1.00 0.00 C ATOM 838 OE1 GLN A 57 -6.661 13.398 -6.517 1.00 0.00 O ATOM 839 NE2 GLN A 57 -6.998 15.600 -6.228 1.00 0.00 N ATOM 0 H GLN A 57 -7.216 13.014 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.991 12.739 -4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.197 12.963 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.507 12.265 -4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.352 15.074 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.828 14.703 -4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.879 16.417 -5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.466 15.692 -7.130 1.00 0.00 H new ATOM 848 N GLY A 58 -8.232 10.606 -2.296 1.00 0.00 N ATOM 849 CA GLY A 58 -8.324 9.199 -1.951 1.00 0.00 C ATOM 850 C GLY A 58 -9.457 8.498 -2.675 1.00 0.00 C ATOM 851 O GLY A 58 -10.504 9.092 -2.926 1.00 0.00 O ATOM 0 H GLY A 58 -8.950 11.198 -1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.382 8.706 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.468 9.100 -0.875 1.00 0.00 H new ATOM 855 N PHE A 59 -9.246 7.229 -3.011 1.00 0.00 N ATOM 856 CA PHE A 59 -10.257 6.445 -3.711 1.00 0.00 C ATOM 857 C PHE A 59 -10.843 5.372 -2.798 1.00 0.00 C ATOM 858 O PHE A 59 -12.060 5.209 -2.717 1.00 0.00 O ATOM 859 CB PHE A 59 -9.656 5.797 -4.960 1.00 0.00 C ATOM 860 CG PHE A 59 -8.514 4.867 -4.664 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.235 5.361 -4.465 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.720 3.499 -4.584 1.00 0.00 C ATOM 863 CE1 PHE A 59 -6.182 4.509 -4.193 1.00 0.00 C ATOM 864 CE2 PHE A 59 -7.671 2.642 -4.311 1.00 0.00 C ATOM 865 CZ PHE A 59 -6.400 3.148 -4.116 1.00 0.00 C ATOM 0 H PHE A 59 -8.384 6.722 -2.810 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.060 7.119 -4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.436 5.245 -5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.311 6.580 -5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.059 6.425 -4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.711 3.098 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.190 4.907 -4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.844 1.578 -4.250 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.579 2.480 -3.904 1.00 0.00 H new ATOM 875 N THR A 60 -9.968 4.644 -2.111 1.00 0.00 N ATOM 876 CA THR A 60 -10.401 3.587 -1.203 1.00 0.00 C ATOM 877 C THR A 60 -11.080 4.175 0.029 1.00 0.00 C ATOM 878 O THR A 60 -12.085 3.649 0.506 1.00 0.00 O ATOM 879 CB THR A 60 -9.208 2.727 -0.781 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.597 1.776 0.195 1.00 0.00 O ATOM 881 CG2 THR A 60 -8.062 3.533 -0.206 1.00 0.00 C ATOM 0 H THR A 60 -8.957 4.766 -2.165 1.00 0.00 H new ATOM 0 HA THR A 60 -11.121 2.961 -1.730 1.00 0.00 H new ATOM 0 HB THR A 60 -8.865 2.240 -1.694 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.182 1.106 -0.216 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.249 2.862 0.073 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.706 4.243 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.404 4.074 0.676 1.00 0.00 H new ATOM 889 N ASP A 61 -10.523 5.269 0.540 1.00 0.00 N ATOM 890 CA ASP A 61 -11.074 5.931 1.717 1.00 0.00 C ATOM 891 C ASP A 61 -11.124 4.978 2.909 1.00 0.00 C ATOM 892 O ASP A 61 -11.983 5.104 3.781 1.00 0.00 O ATOM 893 CB ASP A 61 -12.477 6.464 1.418 1.00 0.00 C ATOM 894 CG ASP A 61 -12.787 7.735 2.183 1.00 0.00 C ATOM 895 OD1 ASP A 61 -12.593 7.748 3.417 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.223 8.719 1.549 1.00 0.00 O ATOM 0 H ASP A 61 -9.690 5.716 0.157 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.420 6.765 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.570 6.655 0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.214 5.702 1.671 1.00 0.00 H new ATOM 901 N GLY A 62 -10.197 4.026 2.939 1.00 0.00 N ATOM 902 CA GLY A 62 -10.154 3.069 4.029 1.00 0.00 C ATOM 903 C GLY A 62 -10.804 1.745 3.671 1.00 0.00 C ATOM 904 O GLY A 62 -10.541 0.726 4.311 1.00 0.00 O ATOM 0 H GLY A 62 -9.476 3.900 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.116 2.895 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.656 3.492 4.899 1.00 0.00 H new ATOM 908 N VAL A 63 -11.656 1.757 2.650 1.00 0.00 N ATOM 909 CA VAL A 63 -12.344 0.547 2.215 1.00 0.00 C ATOM 910 C VAL A 63 -11.979 0.194 0.776 1.00 0.00 C ATOM 911 O VAL A 63 -11.960 1.058 -0.101 1.00 0.00 O ATOM 912 CB VAL A 63 -13.873 0.699 2.327 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.369 1.830 1.437 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.570 -0.608 1.980 1.00 0.00 C ATOM 0 H VAL A 63 -11.886 2.591 2.109 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.019 -0.257 2.875 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.116 0.949 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.451 1.920 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.899 2.765 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.112 1.616 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.649 -0.479 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.319 -0.894 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.243 -1.388 2.667 1.00 0.00 H new ATOM 924 N TYR A 64 -11.690 -1.083 0.542 1.00 0.00 N ATOM 925 CA TYR A 64 -11.327 -1.552 -0.791 1.00 0.00 C ATOM 926 C TYR A 64 -12.270 -2.658 -1.253 1.00 0.00 C ATOM 927 O TYR A 64 -12.241 -3.772 -0.729 1.00 0.00 O ATOM 928 CB TYR A 64 -9.884 -2.061 -0.799 1.00 0.00 C ATOM 929 CG TYR A 64 -9.371 -2.406 -2.178 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.577 -3.670 -2.720 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.682 -1.470 -2.939 1.00 0.00 C ATOM 932 CE1 TYR A 64 -9.109 -3.990 -3.980 1.00 0.00 C ATOM 933 CE2 TYR A 64 -8.211 -1.783 -4.200 1.00 0.00 C ATOM 934 CZ TYR A 64 -8.428 -3.043 -4.716 1.00 0.00 C ATOM 935 OH TYR A 64 -7.962 -3.358 -5.972 1.00 0.00 O ATOM 0 H TYR A 64 -11.700 -1.810 1.257 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.414 -0.713 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.237 -1.301 -0.360 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.816 -2.944 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.111 -4.413 -2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.512 -0.482 -2.539 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.276 -4.977 -4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.676 -1.044 -4.778 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.506 -2.580 -6.356 1.00 0.00 H new ATOM 945 N GLN A 65 -13.105 -2.343 -2.237 1.00 0.00 N ATOM 946 CA GLN A 65 -14.058 -3.309 -2.772 1.00 0.00 C ATOM 947 C GLN A 65 -14.998 -3.814 -1.680 1.00 0.00 C ATOM 948 O GLN A 65 -15.522 -4.925 -1.765 1.00 0.00 O ATOM 949 CB GLN A 65 -13.318 -4.486 -3.409 1.00 0.00 C ATOM 950 CG GLN A 65 -12.561 -4.116 -4.674 1.00 0.00 C ATOM 951 CD GLN A 65 -12.447 -5.275 -5.645 1.00 0.00 C ATOM 952 OE1 GLN A 65 -13.060 -6.324 -5.452 1.00 0.00 O ATOM 953 NE2 GLN A 65 -11.660 -5.090 -6.699 1.00 0.00 N ATOM 0 H GLN A 65 -13.141 -1.425 -2.681 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.655 -2.808 -3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.617 -4.899 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.036 -5.272 -3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.066 -3.284 -5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.562 -3.770 -4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.170 -4.204 -6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.546 -5.834 -7.387 1.00 0.00 H new ATOM 962 N GLY A 66 -15.207 -2.994 -0.656 1.00 0.00 N ATOM 963 CA GLY A 66 -16.083 -3.379 0.435 1.00 0.00 C ATOM 964 C GLY A 66 -15.320 -3.745 1.692 1.00 0.00 C ATOM 965 O GLY A 66 -15.831 -3.597 2.802 1.00 0.00 O ATOM 0 H GLY A 66 -14.786 -2.070 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.766 -2.559 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.693 -4.227 0.125 1.00 0.00 H new ATOM 969 N LYS A 67 -14.093 -4.224 1.518 1.00 0.00 N ATOM 970 CA LYS A 67 -13.257 -4.614 2.647 1.00 0.00 C ATOM 971 C LYS A 67 -12.608 -3.392 3.291 1.00 0.00 C ATOM 972 O LYS A 67 -11.832 -2.681 2.654 1.00 0.00 O ATOM 973 CB LYS A 67 -12.180 -5.601 2.195 1.00 0.00 C ATOM 974 CG LYS A 67 -12.513 -7.051 2.509 1.00 0.00 C ATOM 975 CD LYS A 67 -12.288 -7.370 3.979 1.00 0.00 C ATOM 976 CE LYS A 67 -11.323 -8.533 4.159 1.00 0.00 C ATOM 977 NZ LYS A 67 -12.035 -9.802 4.471 1.00 0.00 N ATOM 0 H LYS A 67 -13.655 -4.351 0.606 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.893 -5.098 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.030 -5.496 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.236 -5.341 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.552 -7.251 2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.897 -7.708 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.896 -6.489 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.241 -7.611 4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.735 -8.661 3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.623 -8.303 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.343 -10.569 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.576 -9.689 5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.685 -10.036 3.693 1.00 0.00 H new ATOM 991 N GLN A 68 -12.932 -3.159 4.557 1.00 0.00 N ATOM 992 CA GLN A 68 -12.381 -2.026 5.290 1.00 0.00 C ATOM 993 C GLN A 68 -11.012 -2.367 5.871 1.00 0.00 C ATOM 994 O GLN A 68 -10.908 -2.857 6.995 1.00 0.00 O ATOM 995 CB GLN A 68 -13.333 -1.605 6.412 1.00 0.00 C ATOM 996 CG GLN A 68 -13.189 -0.147 6.816 1.00 0.00 C ATOM 997 CD GLN A 68 -14.121 0.766 6.043 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.319 0.504 5.934 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.572 1.848 5.500 1.00 0.00 N ATOM 0 H GLN A 68 -13.573 -3.739 5.097 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.264 -1.197 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.360 -1.785 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.155 -2.234 7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.391 -0.048 7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.159 0.171 6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.574 2.026 5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.148 2.500 4.968 1.00 0.00 H new ATOM 1008 N LEU A 69 -9.965 -2.104 5.096 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.602 -2.384 5.532 1.00 0.00 C ATOM 1010 C LEU A 69 -8.171 -1.410 6.623 1.00 0.00 C ATOM 1011 O LEU A 69 -7.385 -1.758 7.505 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.638 -2.299 4.347 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.783 -3.417 3.313 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.971 -3.100 2.067 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.354 -4.750 3.906 1.00 0.00 C ATOM 0 H LEU A 69 -10.034 -1.697 4.163 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.577 -3.394 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.784 -1.341 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.617 -2.307 4.728 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.833 -3.489 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.086 -3.906 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.325 -2.166 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.919 -3.000 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.464 -5.534 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.312 -4.690 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.979 -4.983 4.768 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.689 -0.188 6.557 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.355 0.837 7.540 1.00 0.00 C ATOM 1029 C PHE A 70 -9.387 1.961 7.525 1.00 0.00 C ATOM 1030 O PHE A 70 -10.179 2.079 6.590 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.962 1.404 7.263 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.848 2.096 5.934 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -7.016 1.388 4.754 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.573 3.451 5.865 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.912 2.021 3.530 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.467 4.090 4.645 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.637 3.374 3.475 1.00 0.00 C ATOM 0 H PHE A 70 -9.341 0.117 5.834 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.361 0.375 8.527 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.702 2.108 8.053 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.234 0.594 7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.230 0.330 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.440 4.015 6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.045 1.459 2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.252 5.148 4.605 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.555 3.871 2.520 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.373 2.784 8.569 1.00 0.00 N ATOM 1048 CA GLN A 71 -10.307 3.898 8.676 1.00 0.00 C ATOM 1049 C GLN A 71 -9.577 5.234 8.556 1.00 0.00 C ATOM 1050 O GLN A 71 -8.702 5.549 9.362 1.00 0.00 O ATOM 1051 CB GLN A 71 -11.061 3.833 10.006 1.00 0.00 C ATOM 1052 CG GLN A 71 -12.530 4.206 9.892 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.740 5.692 9.680 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.251 6.267 8.707 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.471 6.323 10.592 1.00 0.00 N ATOM 0 H GLN A 71 -8.725 2.700 9.352 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.022 3.820 7.857 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.981 2.824 10.410 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.580 4.501 10.720 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.977 3.658 9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.051 3.895 10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.857 5.807 11.383 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.646 7.324 10.502 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.944 6.013 7.544 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.325 7.314 7.318 1.00 0.00 C ATOM 1066 C CYS A 72 -10.375 8.362 6.962 1.00 0.00 C ATOM 1067 O CYS A 72 -11.567 8.063 6.896 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.282 7.219 6.202 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.590 6.983 6.792 1.00 0.00 S ATOM 0 H CYS A 72 -10.667 5.766 6.868 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.832 7.619 8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.545 6.391 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.323 8.128 5.603 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.128 5.853 6.344 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.923 9.590 6.735 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.822 10.683 6.385 1.00 0.00 C ATOM 1077 C ASP A 73 -11.357 10.514 4.967 1.00 0.00 C ATOM 1078 O ASP A 73 -11.022 9.550 4.277 1.00 0.00 O ATOM 1079 CB ASP A 73 -10.102 12.028 6.517 1.00 0.00 C ATOM 1080 CG ASP A 73 -10.940 13.061 7.245 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -11.080 12.948 8.481 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -11.456 13.983 6.579 1.00 0.00 O ATOM 0 H ASP A 73 -8.939 9.854 6.787 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.665 10.663 7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.163 11.884 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.850 12.402 5.524 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.191 11.455 4.537 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.773 11.410 3.201 1.00 0.00 C ATOM 1089 C GLU A 74 -11.729 11.736 2.139 1.00 0.00 C ATOM 1090 O GLU A 74 -11.105 12.797 2.171 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.943 12.388 3.100 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.634 12.374 1.746 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.046 12.922 1.805 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.199 14.157 1.910 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -16.998 12.116 1.746 1.00 0.00 O ATOM 0 H GLU A 74 -12.479 12.259 5.095 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.137 10.398 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.673 12.149 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.581 13.396 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.050 12.962 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.660 11.353 1.367 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.546 10.819 1.195 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.580 11.008 0.119 1.00 0.00 C ATOM 1104 C ASP A 75 -9.169 11.178 0.677 1.00 0.00 C ATOM 1105 O ASP A 75 -8.458 12.120 0.323 1.00 0.00 O ATOM 1106 CB ASP A 75 -10.960 12.226 -0.725 1.00 0.00 C ATOM 1107 CG ASP A 75 -11.911 11.874 -1.852 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.720 10.939 -1.675 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -11.849 12.534 -2.910 1.00 0.00 O ATOM 0 H ASP A 75 -12.055 9.936 1.153 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.595 10.119 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.422 12.978 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.057 12.672 -1.141 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.769 10.260 1.549 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.443 10.306 2.155 1.00 0.00 C ATOM 1116 C CYS A 76 -6.742 8.958 2.037 1.00 0.00 C ATOM 1117 O CYS A 76 -5.588 8.882 1.614 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.546 10.715 3.626 1.00 0.00 C ATOM 1119 SG CYS A 76 -7.768 12.490 3.885 1.00 0.00 S ATOM 0 H CYS A 76 -9.344 9.474 1.853 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.852 11.049 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.382 10.185 4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.643 10.393 4.146 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.090 13.056 2.760 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.446 7.895 2.415 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.874 6.563 2.344 1.00 0.00 C ATOM 1127 C GLY A 77 -6.532 6.152 0.926 1.00 0.00 C ATOM 1128 O GLY A 77 -7.377 6.217 0.033 1.00 0.00 O ATOM 0 H GLY A 77 -8.402 7.933 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.973 6.525 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.578 5.846 2.767 1.00 0.00 H new ATOM 1132 N VAL A 78 -5.290 5.726 0.718 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.838 5.303 -0.601 1.00 0.00 C ATOM 1134 C VAL A 78 -3.825 4.167 -0.497 1.00 0.00 C ATOM 1135 O VAL A 78 -3.164 4.005 0.529 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.205 6.471 -1.381 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.255 7.515 -1.724 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -3.067 7.090 -0.583 1.00 0.00 C ATOM 0 H VAL A 78 -4.579 5.665 1.447 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.719 4.953 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.795 6.082 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.789 8.332 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.033 7.061 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.697 7.902 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.631 7.913 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.450 7.465 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.303 6.336 -0.394 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.710 3.384 -1.564 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.777 2.262 -1.592 1.00 0.00 C ATOM 1150 C PHE A 79 -1.828 2.373 -2.782 1.00 0.00 C ATOM 1151 O PHE A 79 -2.247 2.694 -3.895 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.541 0.938 -1.657 1.00 0.00 C ATOM 1153 CG PHE A 79 -3.831 0.347 -0.307 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.809 -0.171 0.471 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.127 0.310 0.184 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.074 -0.715 1.715 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.398 -0.233 1.426 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.369 -0.746 2.191 1.00 0.00 C ATOM 0 H PHE A 79 -4.250 3.505 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.187 2.289 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.481 1.096 -2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.963 0.222 -2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.794 -0.150 0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.935 0.710 -0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.268 -1.115 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.412 -0.256 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.578 -1.171 3.162 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.549 2.105 -2.539 1.00 0.00 N ATOM 1169 CA VAL A 80 0.460 2.174 -3.590 1.00 0.00 C ATOM 1170 C VAL A 80 1.668 1.309 -3.249 1.00 0.00 C ATOM 1171 O VAL A 80 1.889 0.965 -2.088 1.00 0.00 O ATOM 1172 CB VAL A 80 0.928 3.622 -3.826 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.215 4.475 -4.353 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.498 4.215 -2.546 1.00 0.00 C ATOM 0 H VAL A 80 -0.187 1.838 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.006 1.799 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 80 1.718 3.610 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.136 5.494 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.573 4.062 -5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.029 4.481 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.823 5.238 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.731 4.214 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.348 3.618 -2.216 1.00 0.00 H new ATOM 1184 N ALA A 81 2.447 0.962 -4.268 1.00 0.00 N ATOM 1185 CA ALA A 81 3.633 0.136 -4.076 1.00 0.00 C ATOM 1186 C ALA A 81 4.753 0.929 -3.411 1.00 0.00 C ATOM 1187 O ALA A 81 4.779 2.158 -3.473 1.00 0.00 O ATOM 1188 CB ALA A 81 4.103 -0.429 -5.408 1.00 0.00 C ATOM 0 H ALA A 81 2.278 1.240 -5.235 1.00 0.00 H new ATOM 0 HA ALA A 81 3.367 -0.690 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.989 -1.044 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.312 -1.038 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.345 0.390 -6.085 1.00 0.00 H new ATOM 1194 N LEU A 82 5.678 0.216 -2.774 1.00 0.00 N ATOM 1195 CA LEU A 82 6.804 0.852 -2.095 1.00 0.00 C ATOM 1196 C LEU A 82 7.514 1.832 -3.023 1.00 0.00 C ATOM 1197 O LEU A 82 7.813 2.962 -2.637 1.00 0.00 O ATOM 1198 CB LEU A 82 7.792 -0.207 -1.600 1.00 0.00 C ATOM 1199 CG LEU A 82 8.876 0.312 -0.655 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.312 0.523 0.740 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.052 -0.653 -0.615 1.00 0.00 C ATOM 0 H LEU A 82 5.670 -0.802 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 82 6.416 1.405 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.234 -0.993 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.273 -0.665 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 82 9.230 1.272 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.098 0.893 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.502 1.251 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.931 -0.423 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.815 -0.269 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.712 -1.627 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.473 -0.755 -1.615 1.00 0.00 H new ATOM 1213 N ASP A 83 7.775 1.392 -4.250 1.00 0.00 N ATOM 1214 CA ASP A 83 8.443 2.233 -5.237 1.00 0.00 C ATOM 1215 C ASP A 83 7.664 3.525 -5.456 1.00 0.00 C ATOM 1216 O ASP A 83 8.241 4.561 -5.787 1.00 0.00 O ATOM 1217 CB ASP A 83 8.593 1.482 -6.561 1.00 0.00 C ATOM 1218 CG ASP A 83 7.256 1.080 -7.152 1.00 0.00 C ATOM 1219 OD1 ASP A 83 6.288 0.921 -6.379 1.00 0.00 O ATOM 1220 OD2 ASP A 83 7.177 0.924 -8.389 1.00 0.00 O ATOM 0 H ASP A 83 7.534 0.459 -4.584 1.00 0.00 H new ATOM 0 HA ASP A 83 9.434 2.483 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.128 2.110 -7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.200 0.591 -6.403 1.00 0.00 H new ATOM 1225 N LYS A 84 6.350 3.458 -5.263 1.00 0.00 N ATOM 1226 CA LYS A 84 5.492 4.623 -5.434 1.00 0.00 C ATOM 1227 C LYS A 84 5.565 5.535 -4.213 1.00 0.00 C ATOM 1228 O LYS A 84 5.315 6.737 -4.308 1.00 0.00 O ATOM 1229 CB LYS A 84 4.046 4.186 -5.673 1.00 0.00 C ATOM 1230 CG LYS A 84 3.884 3.235 -6.848 1.00 0.00 C ATOM 1231 CD LYS A 84 3.403 3.963 -8.094 1.00 0.00 C ATOM 1232 CE LYS A 84 2.376 3.142 -8.858 1.00 0.00 C ATOM 1233 NZ LYS A 84 2.602 3.199 -10.328 1.00 0.00 N ATOM 0 H LYS A 84 5.857 2.608 -4.988 1.00 0.00 H new ATOM 0 HA LYS A 84 5.844 5.179 -6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.667 3.704 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.432 5.070 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.836 2.747 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.174 2.451 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.967 4.921 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.253 4.178 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.419 2.105 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.375 3.509 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.881 2.627 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.536 4.185 -10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.547 2.825 -10.549 1.00 0.00 H new ATOM 1247 N LEU A 85 5.907 4.956 -3.065 1.00 0.00 N ATOM 1248 CA LEU A 85 6.009 5.719 -1.826 1.00 0.00 C ATOM 1249 C LEU A 85 7.365 6.408 -1.718 1.00 0.00 C ATOM 1250 O LEU A 85 8.348 5.962 -2.310 1.00 0.00 O ATOM 1251 CB LEU A 85 5.791 4.804 -0.619 1.00 0.00 C ATOM 1252 CG LEU A 85 4.360 4.289 -0.446 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.232 3.487 0.839 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.374 5.447 -0.455 1.00 0.00 C ATOM 0 H LEU A 85 6.118 3.963 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 85 5.234 6.485 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.461 3.948 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.078 5.344 0.283 1.00 0.00 H new ATOM 0 HG LEU A 85 4.127 3.632 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.208 3.129 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.912 2.636 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.485 4.120 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.361 5.064 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.606 6.129 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.447 5.979 -1.403 1.00 0.00 H new ATOM 1266 N GLU A 86 7.410 7.497 -0.956 1.00 0.00 N ATOM 1267 CA GLU A 86 8.644 8.249 -0.769 1.00 0.00 C ATOM 1268 C GLU A 86 8.765 8.745 0.668 1.00 0.00 C ATOM 1269 O GLU A 86 8.094 9.696 1.066 1.00 0.00 O ATOM 1270 CB GLU A 86 8.697 9.434 -1.735 1.00 0.00 C ATOM 1271 CG GLU A 86 10.106 9.932 -2.012 1.00 0.00 C ATOM 1272 CD GLU A 86 10.814 9.117 -3.076 1.00 0.00 C ATOM 1273 OE1 GLU A 86 11.238 7.982 -2.770 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.945 9.612 -4.215 1.00 0.00 O ATOM 0 H GLU A 86 6.605 7.878 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 86 9.481 7.582 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.231 9.145 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.106 10.253 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.063 10.975 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.686 9.901 -1.090 1.00 0.00 H new ATOM 1281 N LEU A 87 9.625 8.093 1.445 1.00 0.00 N ATOM 1282 CA LEU A 87 9.834 8.467 2.838 1.00 0.00 C ATOM 1283 C LEU A 87 10.319 9.908 2.950 1.00 0.00 C ATOM 1284 O LEU A 87 11.204 10.336 2.207 1.00 0.00 O ATOM 1285 CB LEU A 87 10.843 7.524 3.496 1.00 0.00 C ATOM 1286 CG LEU A 87 10.878 7.576 5.025 1.00 0.00 C ATOM 1287 CD1 LEU A 87 9.560 7.085 5.605 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.038 6.750 5.559 1.00 0.00 C ATOM 0 H LEU A 87 10.188 7.302 1.132 1.00 0.00 H new ATOM 0 HA LEU A 87 8.878 8.384 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.618 6.503 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.838 7.759 3.117 1.00 0.00 H new ATOM 0 HG LEU A 87 11.024 8.612 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.603 7.129 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.747 7.717 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.385 6.056 5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.048 6.798 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.923 5.713 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.976 7.146 5.170 1.00 0.00 H new ATOM 1300 N ILE A 88 9.736 10.654 3.883 1.00 0.00 N ATOM 1301 CA ILE A 88 10.108 12.048 4.093 1.00 0.00 C ATOM 1302 C ILE A 88 11.173 12.175 5.177 1.00 0.00 C ATOM 1303 O ILE A 88 11.002 11.676 6.289 1.00 0.00 O ATOM 1304 CB ILE A 88 8.889 12.904 4.484 1.00 0.00 C ATOM 1305 CG1 ILE A 88 7.722 12.642 3.526 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.257 14.380 4.491 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.443 12.238 4.228 1.00 0.00 C ATOM 0 H ILE A 88 9.003 10.315 4.506 1.00 0.00 H new ATOM 0 HA ILE A 88 10.509 12.413 3.148 1.00 0.00 H new ATOM 0 HB ILE A 88 8.576 12.624 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.536 13.541 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.006 11.857 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.385 14.971 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.057 14.552 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.594 14.676 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.660 12.069 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.612 11.322 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.135 13.032 4.908 1.00 0.00 H new ATOM 1319 N GLU A 89 12.271 12.846 4.846 1.00 0.00 N ATOM 1320 CA GLU A 89 13.365 13.039 5.792 1.00 0.00 C ATOM 1321 C GLU A 89 13.610 14.522 6.050 1.00 0.00 C ATOM 1322 O GLU A 89 13.899 14.926 7.176 1.00 0.00 O ATOM 1323 CB GLU A 89 14.643 12.382 5.265 1.00 0.00 C ATOM 1324 CG GLU A 89 14.482 10.904 4.952 1.00 0.00 C ATOM 1325 CD GLU A 89 15.615 10.063 5.507 1.00 0.00 C ATOM 1326 OE1 GLU A 89 16.624 9.880 4.794 1.00 0.00 O ATOM 1327 OE2 GLU A 89 15.494 9.587 6.656 1.00 0.00 O ATOM 0 H GLU A 89 12.427 13.266 3.930 1.00 0.00 H new ATOM 0 HA GLU A 89 13.084 12.569 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.964 12.903 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.436 12.504 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.537 10.550 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.430 10.769 3.872 1.00 0.00 H new ATOM 1334 N SER A 90 13.496 15.329 4.999 1.00 0.00 N ATOM 1335 CA SER A 90 13.708 16.768 5.112 1.00 0.00 C ATOM 1336 C SER A 90 15.132 17.075 5.564 1.00 0.00 C ATOM 1337 O SER A 90 15.355 17.955 6.395 1.00 0.00 O ATOM 1338 CB SER A 90 12.702 17.378 6.092 1.00 0.00 C ATOM 1339 OG SER A 90 13.164 17.281 7.428 1.00 0.00 O ATOM 0 H SER A 90 13.258 15.011 4.060 1.00 0.00 H new ATOM 0 HA SER A 90 13.558 17.211 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.532 18.424 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.744 16.868 5.998 1.00 0.00 H new ATOM 0 HG SER A 90 13.539 16.388 7.581 1.00 0.00 H new ATOM 1345 N GLY A 91 16.093 16.343 5.010 1.00 0.00 N ATOM 1346 CA GLY A 91 17.484 16.551 5.367 1.00 0.00 C ATOM 1347 C GLY A 91 18.138 15.293 5.908 1.00 0.00 C ATOM 1348 O GLY A 91 17.448 14.365 6.328 1.00 0.00 O ATOM 0 H GLY A 91 15.933 15.609 4.320 1.00 0.00 H new ATOM 0 HA2 GLY A 91 18.034 16.894 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.550 17.342 6.115 1.00 0.00 H new ATOM 1352 N PRO A 92 19.481 15.232 5.911 1.00 0.00 N ATOM 1353 CA PRO A 92 20.218 14.067 6.410 1.00 0.00 C ATOM 1354 C PRO A 92 20.083 13.900 7.921 1.00 0.00 C ATOM 1355 O PRO A 92 20.382 14.817 8.685 1.00 0.00 O ATOM 1356 CB PRO A 92 21.670 14.372 6.035 1.00 0.00 C ATOM 1357 CG PRO A 92 21.731 15.857 5.933 1.00 0.00 C ATOM 1358 CD PRO A 92 20.385 16.294 5.430 1.00 0.00 C ATOM 0 HA PRO A 92 19.842 13.137 5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 92 22.361 13.998 6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 92 21.943 13.899 5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 92 21.950 16.306 6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 92 22.522 16.169 5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 92 20.105 17.270 5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.369 16.374 4.343 1.00 0.00 H new ATOM 1366 N SER A 93 19.629 12.725 8.343 1.00 0.00 N ATOM 1367 CA SER A 93 19.453 12.438 9.762 1.00 0.00 C ATOM 1368 C SER A 93 20.787 12.095 10.417 1.00 0.00 C ATOM 1369 O SER A 93 21.463 11.149 10.013 1.00 0.00 O ATOM 1370 CB SER A 93 18.468 11.284 9.952 1.00 0.00 C ATOM 1371 OG SER A 93 18.157 11.098 11.322 1.00 0.00 O ATOM 0 H SER A 93 19.376 11.956 7.723 1.00 0.00 H new ATOM 0 HA SER A 93 19.052 13.332 10.241 1.00 0.00 H new ATOM 0 HB2 SER A 93 17.554 11.486 9.393 1.00 0.00 H new ATOM 0 HB3 SER A 93 18.895 10.367 9.545 1.00 0.00 H new ATOM 0 HG SER A 93 17.524 10.355 11.416 1.00 0.00 H new ATOM 1377 N SER A 94 21.160 12.871 11.429 1.00 0.00 N ATOM 1378 CA SER A 94 22.414 12.649 12.141 1.00 0.00 C ATOM 1379 C SER A 94 22.289 11.480 13.111 1.00 0.00 C ATOM 1380 O SER A 94 23.260 10.771 13.373 1.00 0.00 O ATOM 1381 CB SER A 94 22.825 13.914 12.897 1.00 0.00 C ATOM 1382 OG SER A 94 21.693 14.691 13.246 1.00 0.00 O ATOM 0 H SER A 94 20.612 13.659 11.775 1.00 0.00 H new ATOM 0 HA SER A 94 23.183 12.407 11.407 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.374 13.640 13.798 1.00 0.00 H new ATOM 0 HB3 SER A 94 23.500 14.507 12.280 1.00 0.00 H new ATOM 0 HG SER A 94 21.983 15.493 13.730 1.00 0.00 H new ATOM 1388 N GLY A 95 21.086 11.284 13.643 1.00 0.00 N ATOM 1389 CA GLY A 95 20.856 10.199 14.578 1.00 0.00 C ATOM 1390 C GLY A 95 19.610 9.402 14.248 1.00 0.00 C ATOM 1391 O GLY A 95 18.499 9.958 14.372 1.00 0.00 O ATOM 1392 OXT GLY A 95 19.745 8.221 13.865 1.00 0.00 O ATOM 0 H GLY A 95 20.267 11.858 13.443 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.720 9.534 14.577 1.00 0.00 H new ATOM 0 HA3 GLY A 95 20.767 10.605 15.586 1.00 0.00 H new TER 1396 GLY A 95