USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 990 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 125 ASN : amide:sc= -0.239 K(o=1,f=-0.22) USER MOD Set 1.2: A 129 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.22) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= -0.0406 USER MOD Set 2.2: A 40 SER OG : rot -102:sc= 0.572 USER MOD Set 3.1: A 5 MET CE :methyl 174:sc= -0.325 (180deg=-0.447) USER MOD Set 3.2: A 35 SER OG : rot -145:sc= 0.0751 USER MOD Set 4.1: A 33 THR OG1 : rot 157:sc= 0.402 USER MOD Set 4.2: A 73 TYR OH : rot 30:sc= 0.374 USER MOD Set 5.1: A 11 ASN : amide:sc= 2.21 K(o=5.1,f=-8.6!) USER MOD Set 5.2: A 60 GLN : amide:sc= 2.91 K(o=5.1,f=-9) USER MOD Single : A 1 MET CE :methyl -131:sc= 0 (180deg=-0.292) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0612 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= 0.54 (180deg=0.326) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.2) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= 1.29 (180deg=0.96) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 16 GLN : amide:sc= 1.83 K(o=1.8,f=-7.6!) USER MOD Single : A 17 MET CE :methyl -156:sc= -1.68 (180deg=-2.46) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 1.87 (180deg=1.6) USER MOD Single : A 24 THR OG1 : rot -140:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.805 (180deg=0.784) USER MOD Single : A 34 SER OG : rot 100:sc= 0.208 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0501 USER MOD Single : A 43 HIS : no HD1:sc=-0.000903 X(o=-0.0009,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 147:sc= -0.949 (180deg=-1.31) USER MOD Single : A 58 SER OG : rot -112:sc= 1.57 USER MOD Single : A 61 THR OG1 : rot 150:sc= 0.281 USER MOD Single : A 62 SER OG : rot 80:sc= 0.71 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.326 K(o=0.33,f=-6.9!) USER MOD Single : A 78 SER OG : rot -160:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 93 GLN : amide:sc= 0.365 K(o=0.37,f=-0.67) USER MOD Single : A 100 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.19) USER MOD Single : A 107 GLN : amide:sc= 0.577 K(o=0.58,f=-0.14) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 87:sc= 0.667 USER MOD Single : A 118 GLN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= -0.19 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.010 -0.618 0.642 1.00 0.00 N ATOM 2 CA MET A 1 1.350 -0.317 -0.784 1.00 0.00 C ATOM 3 C MET A 1 1.956 -1.557 -1.477 1.00 0.00 C ATOM 4 O MET A 1 2.542 -2.409 -0.810 1.00 0.00 O ATOM 5 CB MET A 1 2.221 0.967 -0.913 1.00 0.00 C ATOM 6 CG MET A 1 3.747 0.781 -0.788 1.00 0.00 C ATOM 7 SD MET A 1 4.668 2.257 -0.249 1.00 0.00 S ATOM 8 CE MET A 1 4.801 3.180 -1.802 1.00 0.00 C ATOM 0 H1 MET A 1 1.349 0.154 1.250 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.021 -0.709 0.741 1.00 0.00 H new ATOM 0 H3 MET A 1 1.465 -1.509 0.927 1.00 0.00 H new ATOM 0 HA MET A 1 0.429 -0.089 -1.320 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.012 1.425 -1.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.900 1.675 -0.149 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.942 -0.027 -0.082 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.138 0.461 -1.754 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.834 3.494 -1.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.491 2.544 -2.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.158 4.059 -1.759 1.00 0.00 H new ATOM 18 N LYS A 2 1.838 -1.677 -2.809 1.00 0.00 N ATOM 19 CA LYS A 2 2.367 -2.840 -3.549 1.00 0.00 C ATOM 20 C LYS A 2 3.889 -2.728 -3.553 1.00 0.00 C ATOM 21 O LYS A 2 4.391 -1.663 -3.902 1.00 0.00 O ATOM 22 CB LYS A 2 1.778 -2.898 -4.978 1.00 0.00 C ATOM 23 CG LYS A 2 0.240 -2.995 -5.007 1.00 0.00 C ATOM 24 CD LYS A 2 -0.323 -2.642 -6.398 1.00 0.00 C ATOM 25 CE LYS A 2 -0.773 -1.170 -6.518 1.00 0.00 C ATOM 26 NZ LYS A 2 -2.207 -0.987 -6.144 1.00 0.00 N ATOM 0 H LYS A 2 1.380 -0.982 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 2 2.074 -3.773 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.088 -2.009 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.198 -3.757 -5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.067 -4.005 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.182 -2.322 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.437 -2.845 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.170 -3.293 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.149 -0.548 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.619 -0.827 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.376 0.008 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.812 -1.249 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.433 -1.592 -5.329 1.00 0.00 H new ATOM 40 N LYS A 3 4.627 -3.779 -3.192 1.00 0.00 N ATOM 41 CA LYS A 3 6.084 -3.794 -3.360 1.00 0.00 C ATOM 42 C LYS A 3 6.405 -4.659 -4.557 1.00 0.00 C ATOM 43 O LYS A 3 5.810 -5.729 -4.713 1.00 0.00 O ATOM 44 CB LYS A 3 6.849 -4.266 -2.116 1.00 0.00 C ATOM 45 CG LYS A 3 6.304 -3.740 -0.782 1.00 0.00 C ATOM 46 CD LYS A 3 7.207 -4.204 0.365 1.00 0.00 C ATOM 47 CE LYS A 3 6.620 -3.713 1.691 1.00 0.00 C ATOM 48 NZ LYS A 3 7.422 -4.181 2.851 1.00 0.00 N ATOM 0 H LYS A 3 4.242 -4.630 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 3 6.417 -2.768 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.837 -5.356 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.891 -3.961 -2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.256 -2.651 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.287 -4.101 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.284 -5.291 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.216 -3.813 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.581 -2.624 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.595 -4.069 1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.950 -3.902 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.510 -5.217 2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.369 -3.752 2.814 1.00 0.00 H new ATOM 62 N VAL A 4 7.349 -4.191 -5.359 1.00 0.00 N ATOM 63 CA VAL A 4 7.702 -4.704 -6.661 1.00 0.00 C ATOM 64 C VAL A 4 9.140 -5.225 -6.595 1.00 0.00 C ATOM 65 O VAL A 4 9.965 -4.722 -5.832 1.00 0.00 O ATOM 66 CB VAL A 4 7.554 -3.592 -7.727 1.00 0.00 C ATOM 67 CG1 VAL A 4 7.533 -4.164 -9.151 1.00 0.00 C ATOM 68 CG2 VAL A 4 6.315 -2.680 -7.629 1.00 0.00 C ATOM 0 H VAL A 4 7.923 -3.390 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 4 7.037 -5.519 -6.946 1.00 0.00 H new ATOM 0 HB VAL A 4 8.433 -2.984 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.428 -3.350 -9.868 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.464 -4.698 -9.342 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.693 -4.850 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.338 -1.947 -8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.411 -3.284 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.319 -2.163 -6.669 1.00 0.00 H new ATOM 78 N MET A 5 9.440 -6.190 -7.449 1.00 0.00 N ATOM 79 CA MET A 5 10.775 -6.700 -7.750 1.00 0.00 C ATOM 80 C MET A 5 10.889 -6.855 -9.264 1.00 0.00 C ATOM 81 O MET A 5 9.900 -7.207 -9.906 1.00 0.00 O ATOM 82 CB MET A 5 11.023 -8.065 -7.092 1.00 0.00 C ATOM 83 CG MET A 5 11.014 -8.089 -5.564 1.00 0.00 C ATOM 84 SD MET A 5 12.306 -9.184 -4.922 1.00 0.00 S ATOM 85 CE MET A 5 12.155 -8.812 -3.164 1.00 0.00 C ATOM 0 H MET A 5 8.717 -6.670 -7.985 1.00 0.00 H new ATOM 0 HA MET A 5 11.514 -6.000 -7.360 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.264 -8.761 -7.450 1.00 0.00 H new ATOM 0 HB3 MET A 5 11.987 -8.441 -7.435 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.164 -7.080 -5.180 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.040 -8.423 -5.208 1.00 0.00 H new ATOM 0 HE1 MET A 5 12.805 -9.476 -2.594 1.00 0.00 H new ATOM 0 HE2 MET A 5 12.447 -7.777 -2.985 1.00 0.00 H new ATOM 0 HE3 MET A 5 11.122 -8.957 -2.849 1.00 0.00 H new ATOM 95 N PHE A 6 12.084 -6.671 -9.822 1.00 0.00 N ATOM 96 CA PHE A 6 12.400 -6.858 -11.230 1.00 0.00 C ATOM 97 C PHE A 6 13.705 -7.621 -11.218 1.00 0.00 C ATOM 98 O PHE A 6 14.726 -7.074 -10.810 1.00 0.00 O ATOM 99 CB PHE A 6 12.562 -5.508 -11.936 1.00 0.00 C ATOM 100 CG PHE A 6 11.316 -4.661 -11.987 1.00 0.00 C ATOM 101 CD1 PHE A 6 11.038 -3.769 -10.940 1.00 0.00 C ATOM 102 CD2 PHE A 6 10.448 -4.750 -13.089 1.00 0.00 C ATOM 103 CE1 PHE A 6 9.885 -2.971 -10.996 1.00 0.00 C ATOM 104 CE2 PHE A 6 9.305 -3.937 -13.152 1.00 0.00 C ATOM 105 CZ PHE A 6 9.020 -3.055 -12.101 1.00 0.00 C ATOM 0 H PHE A 6 12.893 -6.374 -9.277 1.00 0.00 H new ATOM 0 HA PHE A 6 11.613 -7.386 -11.769 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.346 -4.943 -11.432 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.903 -5.687 -12.956 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.708 -3.697 -10.096 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.661 -5.445 -13.888 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.662 -2.290 -10.188 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.648 -3.991 -14.007 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.134 -2.439 -12.140 1.00 0.00 H new ATOM 115 N VAL A 7 13.676 -8.892 -11.599 1.00 0.00 N ATOM 116 CA VAL A 7 14.818 -9.767 -11.386 1.00 0.00 C ATOM 117 C VAL A 7 15.128 -10.546 -12.669 1.00 0.00 C ATOM 118 O VAL A 7 14.244 -10.826 -13.478 1.00 0.00 O ATOM 119 CB VAL A 7 14.507 -10.602 -10.113 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.539 -11.702 -9.832 1.00 0.00 C ATOM 121 CG2 VAL A 7 14.417 -9.711 -8.864 1.00 0.00 C ATOM 0 H VAL A 7 12.879 -9.336 -12.054 1.00 0.00 H new ATOM 0 HA VAL A 7 15.751 -9.238 -11.190 1.00 0.00 H new ATOM 0 HB VAL A 7 13.547 -11.074 -10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.257 -12.243 -8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.572 -12.393 -10.674 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.522 -11.252 -9.693 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.198 -10.328 -7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.366 -9.196 -8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.623 -8.977 -8.997 1.00 0.00 H new ATOM 131 N CYS A 8 16.408 -10.860 -12.846 1.00 0.00 N ATOM 132 CA CYS A 8 16.994 -11.711 -13.880 1.00 0.00 C ATOM 133 C CYS A 8 18.017 -12.618 -13.155 1.00 0.00 C ATOM 134 O CYS A 8 18.137 -12.540 -11.931 1.00 0.00 O ATOM 135 CB CYS A 8 17.639 -10.783 -14.936 1.00 0.00 C ATOM 136 SG CYS A 8 18.217 -11.547 -16.485 1.00 0.00 S ATOM 0 H CYS A 8 17.123 -10.495 -12.217 1.00 0.00 H new ATOM 0 HA CYS A 8 16.276 -12.343 -14.403 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.914 -10.010 -15.192 1.00 0.00 H new ATOM 0 HB3 CYS A 8 18.488 -10.282 -14.470 1.00 0.00 H new ATOM 141 N LYS A 9 18.796 -13.434 -13.880 1.00 0.00 N ATOM 142 CA LYS A 9 19.834 -14.301 -13.281 1.00 0.00 C ATOM 143 C LYS A 9 20.813 -13.493 -12.419 1.00 0.00 C ATOM 144 O LYS A 9 21.207 -13.939 -11.345 1.00 0.00 O ATOM 145 CB LYS A 9 20.545 -15.075 -14.410 1.00 0.00 C ATOM 146 CG LYS A 9 21.676 -16.002 -13.924 1.00 0.00 C ATOM 147 CD LYS A 9 22.242 -16.829 -15.092 1.00 0.00 C ATOM 148 CE LYS A 9 23.569 -17.536 -14.769 1.00 0.00 C ATOM 149 NZ LYS A 9 23.475 -18.512 -13.651 1.00 0.00 N ATOM 0 H LYS A 9 18.729 -13.515 -14.895 1.00 0.00 H new ATOM 0 HA LYS A 9 19.368 -15.018 -12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.807 -15.671 -14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 9 20.957 -14.360 -15.122 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.471 -15.408 -13.474 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.298 -16.669 -13.149 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.505 -17.577 -15.386 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.390 -16.174 -15.950 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.920 -18.054 -15.662 1.00 0.00 H new ATOM 0 HE3 LYS A 9 24.319 -16.785 -14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.131 -19.301 -13.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.725 -18.042 -12.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.503 -18.877 -13.590 1.00 0.00 H new ATOM 163 N ARG A 10 21.194 -12.294 -12.875 1.00 0.00 N ATOM 164 CA ARG A 10 22.031 -11.345 -12.130 1.00 0.00 C ATOM 165 C ARG A 10 21.381 -9.965 -12.205 1.00 0.00 C ATOM 166 O ARG A 10 20.649 -9.687 -13.150 1.00 0.00 O ATOM 167 CB ARG A 10 23.465 -11.321 -12.716 1.00 0.00 C ATOM 168 CG ARG A 10 24.105 -12.710 -12.864 1.00 0.00 C ATOM 169 CD ARG A 10 25.594 -12.669 -13.231 1.00 0.00 C ATOM 170 NE ARG A 10 26.458 -12.157 -12.142 1.00 0.00 N ATOM 171 CZ ARG A 10 27.373 -12.865 -11.460 1.00 0.00 C ATOM 172 NH1 ARG A 10 27.382 -14.194 -11.481 1.00 0.00 N ATOM 173 NH2 ARG A 10 28.288 -12.225 -10.744 1.00 0.00 N ATOM 0 H ARG A 10 20.922 -11.948 -13.795 1.00 0.00 H new ATOM 0 HA ARG A 10 22.109 -11.650 -11.086 1.00 0.00 H new ATOM 0 HB2 ARG A 10 23.439 -10.839 -13.693 1.00 0.00 H new ATOM 0 HB3 ARG A 10 24.098 -10.708 -12.075 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.986 -13.256 -11.928 1.00 0.00 H new ATOM 0 HG3 ARG A 10 23.567 -13.268 -13.630 1.00 0.00 H new ATOM 0 HD2 ARG A 10 25.921 -13.673 -13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 10 25.725 -12.042 -14.113 1.00 0.00 H new ATOM 0 HE ARG A 10 26.348 -11.176 -11.886 1.00 0.00 H new ATOM 0 HH11 ARG A 10 26.683 -14.700 -12.024 1.00 0.00 H new ATOM 0 HH12 ARG A 10 28.088 -14.708 -10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 10 28.292 -11.205 -10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 10 28.988 -12.752 -10.222 1.00 0.00 H new ATOM 187 N ASN A 11 21.709 -9.072 -11.264 1.00 0.00 N ATOM 188 CA ASN A 11 21.322 -7.652 -11.337 1.00 0.00 C ATOM 189 C ASN A 11 21.952 -6.942 -12.548 1.00 0.00 C ATOM 190 O ASN A 11 21.427 -5.926 -12.998 1.00 0.00 O ATOM 191 CB ASN A 11 21.718 -6.927 -10.023 1.00 0.00 C ATOM 192 CG ASN A 11 22.978 -6.090 -10.141 1.00 0.00 C ATOM 193 OD1 ASN A 11 24.069 -6.612 -9.960 1.00 0.00 O ATOM 194 ND2 ASN A 11 22.876 -4.826 -10.499 1.00 0.00 N ATOM 0 H ASN A 11 22.249 -9.309 -10.431 1.00 0.00 H new ATOM 0 HA ASN A 11 20.240 -7.611 -11.464 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.894 -6.285 -9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 11 21.859 -7.670 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 11 23.717 -4.264 -10.630 1.00 0.00 H new ATOM 0 HD22 ASN A 11 21.956 -4.410 -10.645 1.00 0.00 H new ATOM 201 N SER A 12 23.085 -7.452 -13.040 1.00 0.00 N ATOM 202 CA SER A 12 23.953 -6.822 -14.026 1.00 0.00 C ATOM 203 C SER A 12 23.206 -6.295 -15.253 1.00 0.00 C ATOM 204 O SER A 12 23.441 -5.158 -15.667 1.00 0.00 O ATOM 205 CB SER A 12 25.010 -7.844 -14.465 1.00 0.00 C ATOM 206 OG SER A 12 25.268 -8.791 -13.434 1.00 0.00 O ATOM 0 H SER A 12 23.435 -8.363 -12.743 1.00 0.00 H new ATOM 0 HA SER A 12 24.409 -5.953 -13.552 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.669 -8.362 -15.361 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.933 -7.327 -14.727 1.00 0.00 H new ATOM 0 HG SER A 12 25.944 -9.432 -13.740 1.00 0.00 H new ATOM 212 N SER A 13 22.278 -7.089 -15.794 1.00 0.00 N ATOM 213 CA SER A 13 21.654 -6.820 -17.079 1.00 0.00 C ATOM 214 C SER A 13 20.147 -6.668 -16.898 1.00 0.00 C ATOM 215 O SER A 13 19.561 -7.406 -16.113 1.00 0.00 O ATOM 216 CB SER A 13 22.023 -7.961 -18.043 1.00 0.00 C ATOM 217 OG SER A 13 23.425 -8.195 -18.032 1.00 0.00 O ATOM 0 H SER A 13 21.941 -7.940 -15.345 1.00 0.00 H new ATOM 0 HA SER A 13 22.015 -5.884 -17.505 1.00 0.00 H new ATOM 0 HB2 SER A 13 21.495 -8.871 -17.756 1.00 0.00 H new ATOM 0 HB3 SER A 13 21.699 -7.709 -19.053 1.00 0.00 H new ATOM 0 HG SER A 13 23.640 -8.925 -18.650 1.00 0.00 H new ATOM 223 N ARG A 14 19.511 -5.773 -17.666 1.00 0.00 N ATOM 224 CA ARG A 14 18.084 -5.388 -17.704 1.00 0.00 C ATOM 225 C ARG A 14 17.508 -4.905 -16.373 1.00 0.00 C ATOM 226 O ARG A 14 16.834 -3.876 -16.354 1.00 0.00 O ATOM 227 CB ARG A 14 17.194 -6.369 -18.516 1.00 0.00 C ATOM 228 CG ARG A 14 17.254 -7.862 -18.153 1.00 0.00 C ATOM 229 CD ARG A 14 18.434 -8.619 -18.799 1.00 0.00 C ATOM 230 NE ARG A 14 18.063 -9.247 -20.080 1.00 0.00 N ATOM 231 CZ ARG A 14 18.619 -10.323 -20.662 1.00 0.00 C ATOM 232 NH1 ARG A 14 19.627 -10.983 -20.095 1.00 0.00 N ATOM 233 NH2 ARG A 14 18.151 -10.721 -21.836 1.00 0.00 N ATOM 0 H ARG A 14 20.040 -5.238 -18.355 1.00 0.00 H new ATOM 0 HA ARG A 14 18.059 -4.474 -18.297 1.00 0.00 H new ATOM 0 HB2 ARG A 14 16.159 -6.042 -18.417 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.460 -6.270 -19.568 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.323 -7.959 -17.070 1.00 0.00 H new ATOM 0 HG3 ARG A 14 16.321 -8.337 -18.457 1.00 0.00 H new ATOM 0 HD2 ARG A 14 19.261 -7.927 -18.962 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.791 -9.386 -18.111 1.00 0.00 H new ATOM 0 HE ARG A 14 17.291 -8.812 -20.586 1.00 0.00 H new ATOM 0 HH11 ARG A 14 19.997 -10.675 -19.196 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.029 -11.797 -20.560 1.00 0.00 H new ATOM 0 HH21 ARG A 14 17.385 -10.213 -22.278 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.557 -11.535 -22.297 1.00 0.00 H new ATOM 247 N SER A 15 17.834 -5.515 -15.239 1.00 0.00 N ATOM 248 CA SER A 15 17.508 -4.976 -13.922 1.00 0.00 C ATOM 249 C SER A 15 18.204 -3.617 -13.732 1.00 0.00 C ATOM 250 O SER A 15 17.664 -2.762 -13.039 1.00 0.00 O ATOM 251 CB SER A 15 17.892 -5.996 -12.844 1.00 0.00 C ATOM 252 OG SER A 15 17.556 -7.303 -13.296 1.00 0.00 O ATOM 0 H SER A 15 18.335 -6.403 -15.206 1.00 0.00 H new ATOM 0 HA SER A 15 16.436 -4.801 -13.835 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.959 -5.935 -12.632 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.369 -5.774 -11.914 1.00 0.00 H new ATOM 0 HG SER A 15 17.801 -7.959 -12.611 1.00 0.00 H new ATOM 258 N GLN A 16 19.311 -3.351 -14.448 1.00 0.00 N ATOM 259 CA GLN A 16 19.968 -2.039 -14.555 1.00 0.00 C ATOM 260 C GLN A 16 19.120 -0.987 -15.307 1.00 0.00 C ATOM 261 O GLN A 16 19.637 0.056 -15.675 1.00 0.00 O ATOM 262 CB GLN A 16 21.394 -2.177 -15.123 1.00 0.00 C ATOM 263 CG GLN A 16 21.508 -2.496 -16.624 1.00 0.00 C ATOM 264 CD GLN A 16 22.964 -2.468 -17.115 1.00 0.00 C ATOM 265 OE1 GLN A 16 23.861 -1.965 -16.442 1.00 0.00 O ATOM 266 NE2 GLN A 16 23.232 -2.972 -18.307 1.00 0.00 N ATOM 0 H GLN A 16 19.789 -4.072 -14.988 1.00 0.00 H new ATOM 0 HA GLN A 16 20.058 -1.649 -13.541 1.00 0.00 H new ATOM 0 HB2 GLN A 16 21.929 -1.247 -14.930 1.00 0.00 H new ATOM 0 HB3 GLN A 16 21.908 -2.962 -14.568 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.080 -3.479 -16.818 1.00 0.00 H new ATOM 0 HG3 GLN A 16 20.921 -1.775 -17.193 1.00 0.00 H new ATOM 0 HE21 GLN A 16 22.486 -3.389 -18.864 1.00 0.00 H new ATOM 0 HE22 GLN A 16 24.185 -2.944 -18.670 1.00 0.00 H new ATOM 275 N MET A 17 17.845 -1.248 -15.589 1.00 0.00 N ATOM 276 CA MET A 17 16.904 -0.301 -16.170 1.00 0.00 C ATOM 277 C MET A 17 15.517 -0.408 -15.515 1.00 0.00 C ATOM 278 O MET A 17 14.995 0.597 -15.041 1.00 0.00 O ATOM 279 CB MET A 17 16.862 -0.515 -17.697 1.00 0.00 C ATOM 280 CG MET A 17 16.577 0.771 -18.486 1.00 0.00 C ATOM 281 SD MET A 17 15.244 1.821 -17.875 1.00 0.00 S ATOM 282 CE MET A 17 16.075 3.090 -16.856 1.00 0.00 C ATOM 0 H MET A 17 17.426 -2.161 -15.411 1.00 0.00 H new ATOM 0 HA MET A 17 17.240 0.717 -15.974 1.00 0.00 H new ATOM 0 HB2 MET A 17 17.815 -0.929 -18.025 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.096 -1.254 -17.932 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.492 1.363 -18.512 1.00 0.00 H new ATOM 0 HG3 MET A 17 16.347 0.494 -19.515 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.370 3.490 -16.127 1.00 0.00 H new ATOM 0 HE2 MET A 17 16.921 2.642 -16.335 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.430 3.897 -17.497 1.00 0.00 H new ATOM 292 N ALA A 18 14.932 -1.613 -15.429 1.00 0.00 N ATOM 293 CA ALA A 18 13.523 -1.790 -15.040 1.00 0.00 C ATOM 294 C ALA A 18 13.154 -1.211 -13.675 1.00 0.00 C ATOM 295 O ALA A 18 12.183 -0.464 -13.572 1.00 0.00 O ATOM 296 CB ALA A 18 13.167 -3.278 -15.128 1.00 0.00 C ATOM 0 H ALA A 18 15.418 -2.488 -15.626 1.00 0.00 H new ATOM 0 HA ALA A 18 12.928 -1.209 -15.744 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.125 -3.420 -14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.314 -3.627 -16.150 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.809 -3.846 -14.455 1.00 0.00 H new ATOM 302 N GLU A 19 13.954 -1.485 -12.641 1.00 0.00 N ATOM 303 CA GLU A 19 13.691 -0.939 -11.304 1.00 0.00 C ATOM 304 C GLU A 19 13.792 0.589 -11.330 1.00 0.00 C ATOM 305 O GLU A 19 13.034 1.270 -10.640 1.00 0.00 O ATOM 306 CB GLU A 19 14.620 -1.623 -10.289 1.00 0.00 C ATOM 307 CG GLU A 19 16.101 -1.220 -10.339 1.00 0.00 C ATOM 308 CD GLU A 19 16.485 0.041 -9.552 1.00 0.00 C ATOM 309 OE1 GLU A 19 15.647 0.659 -8.866 1.00 0.00 O ATOM 310 OE2 GLU A 19 17.669 0.429 -9.638 1.00 0.00 O ATOM 0 H GLU A 19 14.783 -2.076 -12.701 1.00 0.00 H new ATOM 0 HA GLU A 19 12.672 -1.156 -10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.243 -1.416 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.554 -2.701 -10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.696 -2.053 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.381 -1.072 -11.382 1.00 0.00 H new ATOM 317 N GLY A 20 14.652 1.104 -12.220 1.00 0.00 N ATOM 318 CA GLY A 20 14.830 2.512 -12.532 1.00 0.00 C ATOM 319 C GLY A 20 13.498 3.167 -12.860 1.00 0.00 C ATOM 320 O GLY A 20 13.006 3.982 -12.079 1.00 0.00 O ATOM 0 H GLY A 20 15.273 0.508 -12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.291 3.021 -11.686 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.510 2.618 -13.377 1.00 0.00 H new ATOM 324 N PHE A 21 12.868 2.794 -13.978 1.00 0.00 N ATOM 325 CA PHE A 21 11.575 3.400 -14.324 1.00 0.00 C ATOM 326 C PHE A 21 10.490 3.116 -13.308 1.00 0.00 C ATOM 327 O PHE A 21 9.614 3.960 -13.126 1.00 0.00 O ATOM 328 CB PHE A 21 11.061 2.965 -15.694 1.00 0.00 C ATOM 329 CG PHE A 21 11.622 3.810 -16.802 1.00 0.00 C ATOM 330 CD1 PHE A 21 11.448 5.209 -16.805 1.00 0.00 C ATOM 331 CD2 PHE A 21 12.371 3.182 -17.799 1.00 0.00 C ATOM 332 CE1 PHE A 21 12.044 5.969 -17.829 1.00 0.00 C ATOM 333 CE2 PHE A 21 13.002 3.944 -18.787 1.00 0.00 C ATOM 334 CZ PHE A 21 12.818 5.337 -18.820 1.00 0.00 C ATOM 0 H PHE A 21 13.215 2.100 -14.640 1.00 0.00 H new ATOM 0 HA PHE A 21 11.785 4.470 -14.335 1.00 0.00 H new ATOM 0 HB2 PHE A 21 11.325 1.921 -15.865 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.973 3.025 -15.708 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.866 5.690 -16.033 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.463 2.106 -17.807 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.907 7.040 -17.854 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.629 3.463 -19.523 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.271 5.923 -19.606 1.00 0.00 H new ATOM 344 N ALA A 22 10.522 1.973 -12.632 1.00 0.00 N ATOM 345 CA ALA A 22 9.449 1.644 -11.714 1.00 0.00 C ATOM 346 C ALA A 22 9.435 2.581 -10.509 1.00 0.00 C ATOM 347 O ALA A 22 8.353 2.984 -10.095 1.00 0.00 O ATOM 348 CB ALA A 22 9.569 0.178 -11.323 1.00 0.00 C ATOM 0 H ALA A 22 11.263 1.276 -12.702 1.00 0.00 H new ATOM 0 HA ALA A 22 8.487 1.790 -12.205 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.767 -0.081 -10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.495 -0.444 -12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.532 0.008 -10.841 1.00 0.00 H new ATOM 354 N LYS A 23 10.595 3.021 -10.004 1.00 0.00 N ATOM 355 CA LYS A 23 10.605 4.020 -8.929 1.00 0.00 C ATOM 356 C LYS A 23 10.081 5.383 -9.422 1.00 0.00 C ATOM 357 O LYS A 23 9.538 6.147 -8.629 1.00 0.00 O ATOM 358 CB LYS A 23 12.000 4.100 -8.261 1.00 0.00 C ATOM 359 CG LYS A 23 13.058 4.976 -8.976 1.00 0.00 C ATOM 360 CD LYS A 23 14.376 4.266 -9.313 1.00 0.00 C ATOM 361 CE LYS A 23 15.148 3.826 -8.062 1.00 0.00 C ATOM 362 NZ LYS A 23 16.467 3.225 -8.388 1.00 0.00 N ATOM 0 H LYS A 23 11.516 2.711 -10.313 1.00 0.00 H new ATOM 0 HA LYS A 23 9.911 3.700 -8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.872 4.479 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.396 3.088 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.624 5.360 -9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.279 5.837 -8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.166 3.393 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.002 4.933 -9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.296 4.686 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.551 3.103 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.068 3.225 -7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.332 2.247 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.926 3.781 -9.138 1.00 0.00 H new ATOM 376 N THR A 24 10.224 5.677 -10.719 1.00 0.00 N ATOM 377 CA THR A 24 9.818 6.919 -11.350 1.00 0.00 C ATOM 378 C THR A 24 8.301 6.942 -11.567 1.00 0.00 C ATOM 379 O THR A 24 7.602 7.828 -11.079 1.00 0.00 O ATOM 380 CB THR A 24 10.684 7.080 -12.611 1.00 0.00 C ATOM 381 OG1 THR A 24 11.961 7.542 -12.217 1.00 0.00 O ATOM 382 CG2 THR A 24 10.110 8.029 -13.651 1.00 0.00 C ATOM 0 H THR A 24 10.645 5.022 -11.378 1.00 0.00 H new ATOM 0 HA THR A 24 9.993 7.794 -10.724 1.00 0.00 H new ATOM 0 HB THR A 24 10.727 6.102 -13.090 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.280 8.210 -12.859 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.784 8.083 -14.506 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.137 7.664 -13.979 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.997 9.022 -13.215 1.00 0.00 H new ATOM 390 N LEU A 25 7.779 5.939 -12.268 1.00 0.00 N ATOM 391 CA LEU A 25 6.374 5.862 -12.668 1.00 0.00 C ATOM 392 C LEU A 25 5.520 5.478 -11.460 1.00 0.00 C ATOM 393 O LEU A 25 4.421 5.996 -11.259 1.00 0.00 O ATOM 394 CB LEU A 25 6.244 4.807 -13.784 1.00 0.00 C ATOM 395 CG LEU A 25 6.971 5.169 -15.091 1.00 0.00 C ATOM 396 CD1 LEU A 25 7.098 3.911 -15.950 1.00 0.00 C ATOM 397 CD2 LEU A 25 6.255 6.275 -15.869 1.00 0.00 C ATOM 0 H LEU A 25 8.331 5.140 -12.581 1.00 0.00 H new ATOM 0 HA LEU A 25 6.027 6.827 -13.039 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.634 3.858 -13.417 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.187 4.654 -14.001 1.00 0.00 H new ATOM 0 HG LEU A 25 7.958 5.555 -14.837 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.612 4.156 -16.880 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.668 3.156 -15.408 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.105 3.523 -16.176 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.808 6.494 -16.783 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.247 5.947 -16.124 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.199 7.174 -15.255 1.00 0.00 H new ATOM 409 N GLY A 26 6.051 4.581 -10.629 1.00 0.00 N ATOM 410 CA GLY A 26 5.412 4.072 -9.430 1.00 0.00 C ATOM 411 C GLY A 26 5.566 4.991 -8.224 1.00 0.00 C ATOM 412 O GLY A 26 5.127 4.616 -7.140 1.00 0.00 O ATOM 0 H GLY A 26 6.975 4.177 -10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.351 3.921 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.833 3.096 -9.189 1.00 0.00 H new ATOM 416 N ALA A 27 6.179 6.171 -8.384 1.00 0.00 N ATOM 417 CA ALA A 27 6.440 7.116 -7.303 1.00 0.00 C ATOM 418 C ALA A 27 5.134 7.437 -6.572 1.00 0.00 C ATOM 419 O ALA A 27 4.140 7.797 -7.206 1.00 0.00 O ATOM 420 CB ALA A 27 7.069 8.397 -7.869 1.00 0.00 C ATOM 0 H ALA A 27 6.513 6.498 -9.291 1.00 0.00 H new ATOM 0 HA ALA A 27 7.138 6.671 -6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.261 9.098 -7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.007 8.152 -8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.386 8.852 -8.586 1.00 0.00 H new ATOM 426 N GLY A 28 5.140 7.281 -5.247 1.00 0.00 N ATOM 427 CA GLY A 28 3.980 7.515 -4.388 1.00 0.00 C ATOM 428 C GLY A 28 2.895 6.437 -4.487 1.00 0.00 C ATOM 429 O GLY A 28 1.837 6.602 -3.876 1.00 0.00 O ATOM 0 H GLY A 28 5.968 6.983 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.316 7.582 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.542 8.480 -4.644 1.00 0.00 H new ATOM 433 N LYS A 29 3.125 5.346 -5.234 1.00 0.00 N ATOM 434 CA LYS A 29 2.138 4.283 -5.465 1.00 0.00 C ATOM 435 C LYS A 29 2.662 2.943 -4.985 1.00 0.00 C ATOM 436 O LYS A 29 1.962 2.249 -4.252 1.00 0.00 O ATOM 437 CB LYS A 29 1.748 4.186 -6.960 1.00 0.00 C ATOM 438 CG LYS A 29 1.352 5.517 -7.613 1.00 0.00 C ATOM 439 CD LYS A 29 1.128 5.341 -9.126 1.00 0.00 C ATOM 440 CE LYS A 29 0.953 6.692 -9.842 1.00 0.00 C ATOM 441 NZ LYS A 29 2.224 7.464 -9.973 1.00 0.00 N ATOM 0 H LYS A 29 4.016 5.176 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 29 1.247 4.542 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.587 3.763 -7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.917 3.488 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.443 5.898 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.133 6.258 -7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.975 4.808 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.245 4.725 -9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.539 6.517 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.227 7.293 -9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.053 8.321 -10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.566 7.733 -9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.940 6.876 -10.445 1.00 0.00 H new ATOM 455 N ILE A 30 3.869 2.566 -5.411 1.00 0.00 N ATOM 456 CA ILE A 30 4.416 1.227 -5.223 1.00 0.00 C ATOM 457 C ILE A 30 5.906 1.326 -4.860 1.00 0.00 C ATOM 458 O ILE A 30 6.591 2.264 -5.275 1.00 0.00 O ATOM 459 CB ILE A 30 4.114 0.354 -6.474 1.00 0.00 C ATOM 460 CG1 ILE A 30 4.825 0.871 -7.742 1.00 0.00 C ATOM 461 CG2 ILE A 30 2.594 0.284 -6.724 1.00 0.00 C ATOM 462 CD1 ILE A 30 4.496 0.096 -9.023 1.00 0.00 C ATOM 0 H ILE A 30 4.502 3.195 -5.904 1.00 0.00 H new ATOM 0 HA ILE A 30 3.935 0.721 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 30 4.501 -0.643 -6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.560 1.918 -7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.902 0.835 -7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.398 -0.330 -7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.102 -0.156 -5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.206 1.289 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.041 0.530 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.788 -0.947 -8.902 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.425 0.153 -9.218 1.00 0.00 H new ATOM 474 N ALA A 31 6.387 0.378 -4.054 1.00 0.00 N ATOM 475 CA ALA A 31 7.783 0.273 -3.626 1.00 0.00 C ATOM 476 C ALA A 31 8.507 -0.684 -4.566 1.00 0.00 C ATOM 477 O ALA A 31 7.860 -1.504 -5.204 1.00 0.00 O ATOM 478 CB ALA A 31 7.854 -0.207 -2.172 1.00 0.00 C ATOM 0 H ALA A 31 5.798 -0.360 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 31 8.268 1.248 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.897 -0.282 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.336 0.504 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.380 -1.185 -2.088 1.00 0.00 H new ATOM 484 N VAL A 32 9.828 -0.623 -4.659 1.00 0.00 N ATOM 485 CA VAL A 32 10.622 -1.437 -5.579 1.00 0.00 C ATOM 486 C VAL A 32 11.885 -1.861 -4.831 1.00 0.00 C ATOM 487 O VAL A 32 12.587 -1.012 -4.272 1.00 0.00 O ATOM 488 CB VAL A 32 10.956 -0.608 -6.840 1.00 0.00 C ATOM 489 CG1 VAL A 32 11.617 -1.496 -7.901 1.00 0.00 C ATOM 490 CG2 VAL A 32 9.730 0.074 -7.474 1.00 0.00 C ATOM 0 H VAL A 32 10.392 0.005 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 32 10.079 -2.323 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 32 11.634 0.176 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.847 -0.899 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.538 -1.919 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.937 -2.302 -8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.041 0.637 -8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.003 -0.684 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.276 0.752 -6.751 1.00 0.00 H new ATOM 500 N THR A 33 12.197 -3.152 -4.876 1.00 0.00 N ATOM 501 CA THR A 33 13.421 -3.729 -4.366 1.00 0.00 C ATOM 502 C THR A 33 13.808 -4.795 -5.377 1.00 0.00 C ATOM 503 O THR A 33 13.102 -5.787 -5.508 1.00 0.00 O ATOM 504 CB THR A 33 13.156 -4.355 -2.989 1.00 0.00 C ATOM 505 OG1 THR A 33 12.500 -3.446 -2.115 1.00 0.00 O ATOM 506 CG2 THR A 33 14.456 -4.833 -2.328 1.00 0.00 C ATOM 0 H THR A 33 11.574 -3.847 -5.287 1.00 0.00 H new ATOM 0 HA THR A 33 14.214 -2.992 -4.240 1.00 0.00 H new ATOM 0 HB THR A 33 12.506 -5.212 -3.162 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.025 -3.946 -1.419 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.230 -5.270 -1.355 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.932 -5.582 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.130 -3.987 -2.198 1.00 0.00 H new ATOM 514 N SER A 34 14.873 -4.589 -6.147 1.00 0.00 N ATOM 515 CA SER A 34 15.262 -5.549 -7.173 1.00 0.00 C ATOM 516 C SER A 34 16.564 -6.239 -6.778 1.00 0.00 C ATOM 517 O SER A 34 17.662 -5.818 -7.148 1.00 0.00 O ATOM 518 CB SER A 34 15.254 -4.857 -8.530 1.00 0.00 C ATOM 519 OG SER A 34 13.896 -4.538 -8.811 1.00 0.00 O ATOM 0 H SER A 34 15.478 -3.771 -6.080 1.00 0.00 H new ATOM 0 HA SER A 34 14.544 -6.364 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.868 -3.957 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.667 -5.508 -9.300 1.00 0.00 H new ATOM 0 HG SER A 34 13.732 -3.594 -8.604 1.00 0.00 H new ATOM 525 N SER A 35 16.396 -7.292 -5.978 1.00 0.00 N ATOM 526 CA SER A 35 17.438 -8.189 -5.488 1.00 0.00 C ATOM 527 C SER A 35 17.950 -9.104 -6.622 1.00 0.00 C ATOM 528 O SER A 35 17.616 -8.909 -7.791 1.00 0.00 O ATOM 529 CB SER A 35 16.833 -8.970 -4.310 1.00 0.00 C ATOM 530 OG SER A 35 16.120 -8.086 -3.452 1.00 0.00 O ATOM 0 H SER A 35 15.472 -7.556 -5.635 1.00 0.00 H new ATOM 0 HA SER A 35 18.315 -7.640 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.164 -9.746 -4.683 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.623 -9.472 -3.752 1.00 0.00 H new ATOM 0 HG SER A 35 16.218 -8.382 -2.523 1.00 0.00 H new ATOM 536 N GLY A 36 18.759 -10.120 -6.305 1.00 0.00 N ATOM 537 CA GLY A 36 19.278 -11.081 -7.264 1.00 0.00 C ATOM 538 C GLY A 36 19.848 -12.259 -6.488 1.00 0.00 C ATOM 539 O GLY A 36 19.589 -12.387 -5.291 1.00 0.00 O ATOM 0 H GLY A 36 19.074 -10.295 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.487 -11.414 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.050 -10.623 -7.883 1.00 0.00 H new ATOM 543 N LEU A 37 20.586 -13.134 -7.169 1.00 0.00 N ATOM 544 CA LEU A 37 21.071 -14.403 -6.636 1.00 0.00 C ATOM 545 C LEU A 37 22.578 -14.578 -6.806 1.00 0.00 C ATOM 546 O LEU A 37 23.153 -15.529 -6.278 1.00 0.00 O ATOM 547 CB LEU A 37 20.300 -15.532 -7.338 1.00 0.00 C ATOM 548 CG LEU A 37 18.896 -15.691 -6.744 1.00 0.00 C ATOM 549 CD1 LEU A 37 17.937 -16.361 -7.734 1.00 0.00 C ATOM 550 CD2 LEU A 37 18.933 -16.507 -5.445 1.00 0.00 C ATOM 0 H LEU A 37 20.871 -12.973 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 37 20.895 -14.426 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.225 -15.318 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.849 -16.468 -7.239 1.00 0.00 H new ATOM 0 HG LEU A 37 18.531 -14.687 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 37 16.952 -16.457 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.862 -15.753 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.314 -17.350 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.923 -16.603 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.338 -17.498 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.564 -16.000 -4.715 1.00 0.00 H new ATOM 562 N GLU A 38 23.210 -13.669 -7.549 1.00 0.00 N ATOM 563 CA GLU A 38 24.637 -13.697 -7.855 1.00 0.00 C ATOM 564 C GLU A 38 25.139 -12.247 -7.839 1.00 0.00 C ATOM 565 O GLU A 38 25.765 -11.819 -6.867 1.00 0.00 O ATOM 566 CB GLU A 38 24.939 -14.428 -9.185 1.00 0.00 C ATOM 567 CG GLU A 38 24.103 -15.685 -9.478 1.00 0.00 C ATOM 568 CD GLU A 38 24.366 -16.325 -10.859 1.00 0.00 C ATOM 569 OE1 GLU A 38 25.165 -15.800 -11.674 1.00 0.00 O ATOM 570 OE2 GLU A 38 23.748 -17.379 -11.149 1.00 0.00 O ATOM 0 H GLU A 38 22.729 -12.872 -7.965 1.00 0.00 H new ATOM 0 HA GLU A 38 25.173 -14.276 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.794 -13.723 -10.003 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.992 -14.709 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.303 -16.427 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.046 -15.427 -9.407 1.00 0.00 H new ATOM 577 N SER A 39 24.733 -11.490 -8.869 1.00 0.00 N ATOM 578 CA SER A 39 24.874 -10.039 -9.013 1.00 0.00 C ATOM 579 C SER A 39 26.303 -9.492 -9.074 1.00 0.00 C ATOM 580 O SER A 39 27.281 -10.137 -8.687 1.00 0.00 O ATOM 581 CB SER A 39 23.934 -9.383 -8.008 1.00 0.00 C ATOM 582 OG SER A 39 22.626 -9.830 -8.354 1.00 0.00 O ATOM 0 H SER A 39 24.267 -11.906 -9.675 1.00 0.00 H new ATOM 0 HA SER A 39 24.565 -9.755 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.189 -9.671 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 39 24.003 -8.296 -8.059 1.00 0.00 H new ATOM 0 HG SER A 39 21.973 -9.439 -7.737 1.00 0.00 H new ATOM 588 N SER A 40 26.393 -8.283 -9.644 1.00 0.00 N ATOM 589 CA SER A 40 27.670 -7.682 -10.050 1.00 0.00 C ATOM 590 C SER A 40 27.710 -6.145 -10.065 1.00 0.00 C ATOM 591 O SER A 40 28.743 -5.563 -10.410 1.00 0.00 O ATOM 592 CB SER A 40 27.833 -8.115 -11.508 1.00 0.00 C ATOM 593 OG SER A 40 27.936 -9.525 -11.683 1.00 0.00 O ATOM 0 H SER A 40 25.583 -7.694 -9.837 1.00 0.00 H new ATOM 0 HA SER A 40 28.433 -8.000 -9.339 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.983 -7.749 -12.083 1.00 0.00 H new ATOM 0 HB3 SER A 40 28.724 -7.641 -11.920 1.00 0.00 H new ATOM 0 HG SER A 40 28.874 -9.769 -11.831 1.00 0.00 H new ATOM 599 N ARG A 41 26.616 -5.480 -9.684 1.00 0.00 N ATOM 600 CA ARG A 41 26.386 -4.043 -9.881 1.00 0.00 C ATOM 601 C ARG A 41 26.257 -3.737 -11.383 1.00 0.00 C ATOM 602 O ARG A 41 26.399 -4.610 -12.239 1.00 0.00 O ATOM 603 CB ARG A 41 27.374 -3.136 -9.107 1.00 0.00 C ATOM 604 CG ARG A 41 26.636 -2.202 -8.135 1.00 0.00 C ATOM 605 CD ARG A 41 27.617 -1.336 -7.337 1.00 0.00 C ATOM 606 NE ARG A 41 26.991 -0.826 -6.100 1.00 0.00 N ATOM 607 CZ ARG A 41 27.435 0.205 -5.364 1.00 0.00 C ATOM 608 NH1 ARG A 41 28.454 0.951 -5.785 1.00 0.00 N ATOM 609 NH2 ARG A 41 26.858 0.493 -4.200 1.00 0.00 N ATOM 0 H ARG A 41 25.838 -5.942 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 41 25.432 -3.783 -9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 41 28.080 -3.755 -8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 41 27.955 -2.543 -9.813 1.00 0.00 H new ATOM 0 HG2 ARG A 41 25.953 -1.561 -8.692 1.00 0.00 H new ATOM 0 HG3 ARG A 41 26.030 -2.794 -7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 41 28.502 -1.921 -7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 41 27.951 -0.500 -7.951 1.00 0.00 H new ATOM 0 HE ARG A 41 26.147 -1.299 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 41 28.906 0.742 -6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 41 28.783 1.732 -5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.076 -0.070 -3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.197 1.277 -3.643 1.00 0.00 H new ATOM 623 N VAL A 42 25.812 -2.518 -11.686 1.00 0.00 N ATOM 624 CA VAL A 42 25.409 -2.119 -13.028 1.00 0.00 C ATOM 625 C VAL A 42 26.622 -1.693 -13.861 1.00 0.00 C ATOM 626 O VAL A 42 27.733 -1.550 -13.341 1.00 0.00 O ATOM 627 CB VAL A 42 24.320 -1.038 -12.929 1.00 0.00 C ATOM 628 CG1 VAL A 42 23.197 -1.440 -11.964 1.00 0.00 C ATOM 629 CG2 VAL A 42 24.863 0.329 -12.511 1.00 0.00 C ATOM 0 H VAL A 42 25.721 -1.773 -10.996 1.00 0.00 H new ATOM 0 HA VAL A 42 24.977 -2.968 -13.558 1.00 0.00 H new ATOM 0 HB VAL A 42 23.920 -0.952 -13.939 1.00 0.00 H new ATOM 0 HG11 VAL A 42 22.450 -0.647 -11.925 1.00 0.00 H new ATOM 0 HG12 VAL A 42 22.731 -2.362 -12.312 1.00 0.00 H new ATOM 0 HG13 VAL A 42 23.612 -1.597 -10.968 1.00 0.00 H new ATOM 0 HG21 VAL A 42 24.044 1.046 -12.460 1.00 0.00 H new ATOM 0 HG22 VAL A 42 25.336 0.249 -11.532 1.00 0.00 H new ATOM 0 HG23 VAL A 42 25.597 0.668 -13.242 1.00 0.00 H new ATOM 639 N HIS A 43 26.389 -1.460 -15.152 1.00 0.00 N ATOM 640 CA HIS A 43 27.421 -1.008 -16.082 1.00 0.00 C ATOM 641 C HIS A 43 27.489 0.527 -16.084 1.00 0.00 C ATOM 642 O HIS A 43 26.468 1.175 -15.847 1.00 0.00 O ATOM 643 CB HIS A 43 27.160 -1.647 -17.457 1.00 0.00 C ATOM 644 CG HIS A 43 27.375 -3.145 -17.413 1.00 0.00 C ATOM 645 ND1 HIS A 43 28.558 -3.808 -17.655 1.00 0.00 N ATOM 646 CD2 HIS A 43 26.465 -4.093 -17.019 1.00 0.00 C ATOM 647 CE1 HIS A 43 28.361 -5.118 -17.424 1.00 0.00 C ATOM 648 NE2 HIS A 43 27.094 -5.346 -17.030 1.00 0.00 N ATOM 0 H HIS A 43 25.473 -1.581 -15.584 1.00 0.00 H new ATOM 0 HA HIS A 43 28.414 -1.335 -15.774 1.00 0.00 H new ATOM 0 HB2 HIS A 43 26.139 -1.432 -17.773 1.00 0.00 H new ATOM 0 HB3 HIS A 43 27.823 -1.203 -18.199 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.437 -3.906 -16.746 1.00 0.00 H new ATOM 0 HE1 HIS A 43 29.115 -5.882 -17.539 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.677 -6.245 -16.789 1.00 0.00 H new ATOM 656 N PRO A 44 28.657 1.143 -16.351 1.00 0.00 N ATOM 657 CA PRO A 44 28.855 2.584 -16.172 1.00 0.00 C ATOM 658 C PRO A 44 27.963 3.413 -17.098 1.00 0.00 C ATOM 659 O PRO A 44 27.289 4.342 -16.648 1.00 0.00 O ATOM 660 CB PRO A 44 30.346 2.823 -16.452 1.00 0.00 C ATOM 661 CG PRO A 44 30.748 1.640 -17.336 1.00 0.00 C ATOM 662 CD PRO A 44 29.905 0.510 -16.759 1.00 0.00 C ATOM 0 HA PRO A 44 28.576 2.900 -15.167 1.00 0.00 H new ATOM 0 HB2 PRO A 44 30.510 3.774 -16.958 1.00 0.00 H new ATOM 0 HB3 PRO A 44 30.927 2.848 -15.530 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.522 1.821 -18.387 1.00 0.00 H new ATOM 0 HG3 PRO A 44 31.815 1.427 -17.271 1.00 0.00 H new ATOM 0 HD2 PRO A 44 29.729 -0.269 -17.500 1.00 0.00 H new ATOM 0 HD3 PRO A 44 30.404 0.038 -15.912 1.00 0.00 H new ATOM 670 N THR A 45 27.905 3.048 -18.382 1.00 0.00 N ATOM 671 CA THR A 45 27.110 3.761 -19.375 1.00 0.00 C ATOM 672 C THR A 45 25.618 3.619 -19.061 1.00 0.00 C ATOM 673 O THR A 45 24.853 4.525 -19.381 1.00 0.00 O ATOM 674 CB THR A 45 27.499 3.281 -20.779 1.00 0.00 C ATOM 675 OG1 THR A 45 28.914 3.189 -20.880 1.00 0.00 O ATOM 676 CG2 THR A 45 26.972 4.193 -21.896 1.00 0.00 C ATOM 0 H THR A 45 28.411 2.247 -18.759 1.00 0.00 H new ATOM 0 HA THR A 45 27.320 4.830 -19.340 1.00 0.00 H new ATOM 0 HB THR A 45 27.036 2.303 -20.914 1.00 0.00 H new ATOM 0 HG1 THR A 45 29.159 2.881 -21.777 1.00 0.00 H new ATOM 0 HG21 THR A 45 27.281 3.799 -22.864 1.00 0.00 H new ATOM 0 HG22 THR A 45 25.884 4.232 -21.851 1.00 0.00 H new ATOM 0 HG23 THR A 45 27.377 5.197 -21.767 1.00 0.00 H new ATOM 684 N ALA A 46 25.195 2.547 -18.369 1.00 0.00 N ATOM 685 CA ALA A 46 23.801 2.395 -17.970 1.00 0.00 C ATOM 686 C ALA A 46 23.401 3.572 -17.113 1.00 0.00 C ATOM 687 O ALA A 46 22.459 4.272 -17.458 1.00 0.00 O ATOM 688 CB ALA A 46 23.556 1.070 -17.221 1.00 0.00 C ATOM 0 H ALA A 46 25.802 1.780 -18.079 1.00 0.00 H new ATOM 0 HA ALA A 46 23.187 2.367 -18.870 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.505 0.998 -16.943 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.818 0.233 -17.868 1.00 0.00 H new ATOM 0 HB3 ALA A 46 24.172 1.041 -16.322 1.00 0.00 H new ATOM 694 N ILE A 47 24.152 3.836 -16.047 1.00 0.00 N ATOM 695 CA ILE A 47 23.783 4.877 -15.096 1.00 0.00 C ATOM 696 C ILE A 47 23.715 6.202 -15.844 1.00 0.00 C ATOM 697 O ILE A 47 22.763 6.940 -15.645 1.00 0.00 O ATOM 698 CB ILE A 47 24.827 4.984 -13.954 1.00 0.00 C ATOM 699 CG1 ILE A 47 25.036 3.672 -13.172 1.00 0.00 C ATOM 700 CG2 ILE A 47 24.449 6.103 -12.962 1.00 0.00 C ATOM 701 CD1 ILE A 47 26.383 3.614 -12.436 1.00 0.00 C ATOM 0 H ILE A 47 25.017 3.344 -15.822 1.00 0.00 H new ATOM 0 HA ILE A 47 22.819 4.631 -14.651 1.00 0.00 H new ATOM 0 HB ILE A 47 25.768 5.218 -14.452 1.00 0.00 H new ATOM 0 HG12 ILE A 47 24.229 3.555 -12.449 1.00 0.00 H new ATOM 0 HG13 ILE A 47 24.970 2.831 -13.862 1.00 0.00 H new ATOM 0 HG21 ILE A 47 25.197 6.156 -12.171 1.00 0.00 H new ATOM 0 HG22 ILE A 47 24.408 7.057 -13.488 1.00 0.00 H new ATOM 0 HG23 ILE A 47 23.474 5.888 -12.525 1.00 0.00 H new ATOM 0 HD11 ILE A 47 26.467 2.665 -11.906 1.00 0.00 H new ATOM 0 HD12 ILE A 47 27.196 3.700 -13.157 1.00 0.00 H new ATOM 0 HD13 ILE A 47 26.443 4.435 -11.722 1.00 0.00 H new ATOM 713 N ALA A 48 24.674 6.482 -16.728 1.00 0.00 N ATOM 714 CA ALA A 48 24.699 7.736 -17.466 1.00 0.00 C ATOM 715 C ALA A 48 23.420 7.901 -18.293 1.00 0.00 C ATOM 716 O ALA A 48 22.804 8.960 -18.261 1.00 0.00 O ATOM 717 CB ALA A 48 25.948 7.798 -18.353 1.00 0.00 C ATOM 0 H ALA A 48 25.445 5.851 -16.948 1.00 0.00 H new ATOM 0 HA ALA A 48 24.742 8.563 -16.757 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.958 8.740 -18.902 1.00 0.00 H new ATOM 0 HB2 ALA A 48 26.840 7.731 -17.730 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.935 6.967 -19.059 1.00 0.00 H new ATOM 723 N MET A 49 22.985 6.849 -18.988 1.00 0.00 N ATOM 724 CA MET A 49 21.790 6.873 -19.832 1.00 0.00 C ATOM 725 C MET A 49 20.518 6.945 -18.985 1.00 0.00 C ATOM 726 O MET A 49 19.546 7.639 -19.313 1.00 0.00 O ATOM 727 CB MET A 49 21.800 5.602 -20.689 1.00 0.00 C ATOM 728 CG MET A 49 22.960 5.623 -21.691 1.00 0.00 C ATOM 729 SD MET A 49 22.774 6.829 -23.026 1.00 0.00 S ATOM 730 CE MET A 49 24.356 7.678 -22.793 1.00 0.00 C ATOM 0 H MET A 49 23.458 5.946 -18.980 1.00 0.00 H new ATOM 0 HA MET A 49 21.799 7.759 -20.466 1.00 0.00 H new ATOM 0 HB2 MET A 49 21.886 4.726 -20.046 1.00 0.00 H new ATOM 0 HB3 MET A 49 20.854 5.513 -21.224 1.00 0.00 H new ATOM 0 HG2 MET A 49 23.884 5.834 -21.153 1.00 0.00 H new ATOM 0 HG3 MET A 49 23.065 4.630 -22.127 1.00 0.00 H new ATOM 0 HE1 MET A 49 24.452 8.477 -23.528 1.00 0.00 H new ATOM 0 HE2 MET A 49 24.398 8.101 -21.789 1.00 0.00 H new ATOM 0 HE3 MET A 49 25.173 6.968 -22.921 1.00 0.00 H new ATOM 740 N MET A 50 20.517 6.253 -17.858 1.00 0.00 N ATOM 741 CA MET A 50 19.369 6.256 -16.983 1.00 0.00 C ATOM 742 C MET A 50 19.292 7.657 -16.364 1.00 0.00 C ATOM 743 O MET A 50 18.207 8.215 -16.263 1.00 0.00 O ATOM 744 CB MET A 50 19.412 5.076 -15.995 1.00 0.00 C ATOM 745 CG MET A 50 19.571 3.672 -16.640 1.00 0.00 C ATOM 746 SD MET A 50 19.181 3.475 -18.420 1.00 0.00 S ATOM 747 CE MET A 50 19.962 1.889 -18.884 1.00 0.00 C ATOM 0 H MET A 50 21.299 5.685 -17.533 1.00 0.00 H new ATOM 0 HA MET A 50 18.434 6.081 -17.514 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.238 5.234 -15.302 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.495 5.084 -15.405 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.603 3.354 -16.490 1.00 0.00 H new ATOM 0 HG3 MET A 50 18.940 2.979 -16.084 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.362 1.399 -19.651 1.00 0.00 H new ATOM 0 HE2 MET A 50 20.964 2.076 -19.271 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.026 1.245 -18.007 1.00 0.00 H new ATOM 757 N GLU A 51 20.424 8.318 -16.124 1.00 0.00 N ATOM 758 CA GLU A 51 20.487 9.699 -15.707 1.00 0.00 C ATOM 759 C GLU A 51 20.149 10.646 -16.865 1.00 0.00 C ATOM 760 O GLU A 51 19.796 11.800 -16.601 1.00 0.00 O ATOM 761 CB GLU A 51 21.856 10.032 -15.087 1.00 0.00 C ATOM 762 CG GLU A 51 22.030 9.451 -13.679 1.00 0.00 C ATOM 763 CD GLU A 51 21.249 10.192 -12.562 1.00 0.00 C ATOM 764 OE1 GLU A 51 20.291 10.956 -12.836 1.00 0.00 O ATOM 765 OE2 GLU A 51 21.628 10.030 -11.377 1.00 0.00 O ATOM 0 H GLU A 51 21.343 7.886 -16.220 1.00 0.00 H new ATOM 0 HA GLU A 51 19.733 9.847 -14.934 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.645 9.648 -15.733 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.977 11.114 -15.045 1.00 0.00 H new ATOM 0 HG2 GLU A 51 21.714 8.408 -13.691 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.090 9.460 -13.427 1.00 0.00 H new ATOM 772 N GLU A 52 20.175 10.193 -18.127 1.00 0.00 N ATOM 773 CA GLU A 52 19.642 11.004 -19.215 1.00 0.00 C ATOM 774 C GLU A 52 18.131 11.150 -19.036 1.00 0.00 C ATOM 775 O GLU A 52 17.587 12.225 -19.299 1.00 0.00 O ATOM 776 CB GLU A 52 19.980 10.514 -20.637 1.00 0.00 C ATOM 777 CG GLU A 52 21.459 10.634 -21.024 1.00 0.00 C ATOM 778 CD GLU A 52 21.901 12.104 -21.157 1.00 0.00 C ATOM 779 OE1 GLU A 52 21.674 12.709 -22.234 1.00 0.00 O ATOM 780 OE2 GLU A 52 22.489 12.666 -20.201 1.00 0.00 O ATOM 0 H GLU A 52 20.552 9.288 -18.409 1.00 0.00 H new ATOM 0 HA GLU A 52 20.143 11.969 -19.142 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.679 9.470 -20.728 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.385 11.081 -21.353 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.072 10.137 -20.272 1.00 0.00 H new ATOM 0 HG3 GLU A 52 21.630 10.117 -21.968 1.00 0.00 H new ATOM 787 N VAL A 53 17.462 10.106 -18.529 1.00 0.00 N ATOM 788 CA VAL A 53 16.065 10.198 -18.099 1.00 0.00 C ATOM 789 C VAL A 53 15.937 10.597 -16.612 1.00 0.00 C ATOM 790 O VAL A 53 14.840 10.560 -16.051 1.00 0.00 O ATOM 791 CB VAL A 53 15.260 8.954 -18.529 1.00 0.00 C ATOM 792 CG1 VAL A 53 15.095 8.941 -20.056 1.00 0.00 C ATOM 793 CG2 VAL A 53 15.849 7.613 -18.080 1.00 0.00 C ATOM 0 H VAL A 53 17.873 9.180 -18.407 1.00 0.00 H new ATOM 0 HA VAL A 53 15.592 11.026 -18.628 1.00 0.00 H new ATOM 0 HB VAL A 53 14.300 9.047 -18.021 1.00 0.00 H new ATOM 0 HG11 VAL A 53 14.526 8.060 -20.353 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.565 9.839 -20.372 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.077 8.914 -20.528 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.212 6.800 -18.430 1.00 0.00 H new ATOM 0 HG22 VAL A 53 16.849 7.497 -18.498 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.905 7.586 -16.992 1.00 0.00 H new ATOM 803 N GLY A 54 17.031 11.033 -15.975 1.00 0.00 N ATOM 804 CA GLY A 54 17.042 11.548 -14.610 1.00 0.00 C ATOM 805 C GLY A 54 16.869 10.456 -13.547 1.00 0.00 C ATOM 806 O GLY A 54 16.389 10.748 -12.448 1.00 0.00 O ATOM 0 H GLY A 54 17.954 11.035 -16.410 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.982 12.071 -14.434 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.244 12.282 -14.500 1.00 0.00 H new ATOM 810 N ILE A 55 17.203 9.206 -13.872 1.00 0.00 N ATOM 811 CA ILE A 55 17.009 8.034 -13.029 1.00 0.00 C ATOM 812 C ILE A 55 18.350 7.545 -12.490 1.00 0.00 C ATOM 813 O ILE A 55 19.312 7.373 -13.240 1.00 0.00 O ATOM 814 CB ILE A 55 16.240 6.947 -13.794 1.00 0.00 C ATOM 815 CG1 ILE A 55 14.824 7.469 -14.128 1.00 0.00 C ATOM 816 CG2 ILE A 55 16.216 5.591 -13.060 1.00 0.00 C ATOM 817 CD1 ILE A 55 13.830 6.391 -14.555 1.00 0.00 C ATOM 0 H ILE A 55 17.634 8.977 -14.768 1.00 0.00 H new ATOM 0 HA ILE A 55 16.399 8.301 -12.166 1.00 0.00 H new ATOM 0 HB ILE A 55 16.769 6.743 -14.725 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.426 7.985 -13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.903 8.208 -14.926 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.658 4.866 -13.653 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.237 5.235 -12.919 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.737 5.712 -12.088 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.865 6.850 -14.769 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.199 5.889 -15.449 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.715 5.663 -13.752 1.00 0.00 H new ATOM 829 N ASP A 56 18.375 7.223 -11.196 1.00 0.00 N ATOM 830 CA ASP A 56 19.494 6.540 -10.558 1.00 0.00 C ATOM 831 C ASP A 56 19.218 5.037 -10.516 1.00 0.00 C ATOM 832 O ASP A 56 18.088 4.620 -10.239 1.00 0.00 O ATOM 833 CB ASP A 56 19.729 7.096 -9.150 1.00 0.00 C ATOM 834 CG ASP A 56 20.788 6.269 -8.405 1.00 0.00 C ATOM 835 OD1 ASP A 56 21.861 5.981 -8.990 1.00 0.00 O ATOM 836 OD2 ASP A 56 20.534 5.883 -7.241 1.00 0.00 O ATOM 0 H ASP A 56 17.608 7.433 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 56 20.400 6.713 -11.138 1.00 0.00 H new ATOM 0 HB2 ASP A 56 20.052 8.135 -9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 56 18.794 7.087 -8.590 1.00 0.00 H new ATOM 841 N ILE A 57 20.244 4.223 -10.765 1.00 0.00 N ATOM 842 CA ILE A 57 20.219 2.769 -10.588 1.00 0.00 C ATOM 843 C ILE A 57 21.299 2.386 -9.558 1.00 0.00 C ATOM 844 O ILE A 57 20.952 1.955 -8.460 1.00 0.00 O ATOM 845 CB ILE A 57 20.314 2.014 -11.945 1.00 0.00 C ATOM 846 CG1 ILE A 57 21.281 2.702 -12.937 1.00 0.00 C ATOM 847 CG2 ILE A 57 18.932 1.849 -12.609 1.00 0.00 C ATOM 848 CD1 ILE A 57 21.706 1.820 -14.108 1.00 0.00 C ATOM 0 H ILE A 57 21.142 4.566 -11.105 1.00 0.00 H new ATOM 0 HA ILE A 57 19.257 2.450 -10.187 1.00 0.00 H new ATOM 0 HB ILE A 57 20.712 1.028 -11.706 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.804 3.601 -13.328 1.00 0.00 H new ATOM 0 HG13 ILE A 57 22.171 3.023 -12.396 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.043 1.317 -13.554 1.00 0.00 H new ATOM 0 HG22 ILE A 57 18.276 1.282 -11.948 1.00 0.00 H new ATOM 0 HG23 ILE A 57 18.498 2.831 -12.795 1.00 0.00 H new ATOM 0 HD11 ILE A 57 22.383 2.377 -14.756 1.00 0.00 H new ATOM 0 HD12 ILE A 57 22.214 0.933 -13.730 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.825 1.520 -14.676 1.00 0.00 H new ATOM 860 N SER A 58 22.577 2.574 -9.917 1.00 0.00 N ATOM 861 CA SER A 58 23.795 2.399 -9.118 1.00 0.00 C ATOM 862 C SER A 58 23.690 1.308 -8.037 1.00 0.00 C ATOM 863 O SER A 58 23.840 0.125 -8.349 1.00 0.00 O ATOM 864 CB SER A 58 24.324 3.770 -8.647 1.00 0.00 C ATOM 865 OG SER A 58 23.455 4.399 -7.729 1.00 0.00 O ATOM 0 H SER A 58 22.803 2.881 -10.863 1.00 0.00 H new ATOM 0 HA SER A 58 24.569 1.982 -9.763 1.00 0.00 H new ATOM 0 HB2 SER A 58 25.302 3.639 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 58 24.464 4.418 -9.512 1.00 0.00 H new ATOM 0 HG SER A 58 23.057 5.192 -8.146 1.00 0.00 H new ATOM 871 N GLY A 59 23.426 1.691 -6.788 1.00 0.00 N ATOM 872 CA GLY A 59 23.367 0.849 -5.601 1.00 0.00 C ATOM 873 C GLY A 59 22.080 0.029 -5.523 1.00 0.00 C ATOM 874 O GLY A 59 21.382 0.068 -4.510 1.00 0.00 O ATOM 0 H GLY A 59 23.235 2.668 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.223 0.175 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.449 1.475 -4.712 1.00 0.00 H new ATOM 878 N GLN A 60 21.773 -0.732 -6.580 1.00 0.00 N ATOM 879 CA GLN A 60 20.700 -1.729 -6.566 1.00 0.00 C ATOM 880 C GLN A 60 21.037 -2.860 -5.585 1.00 0.00 C ATOM 881 O GLN A 60 20.149 -3.523 -5.050 1.00 0.00 O ATOM 882 CB GLN A 60 20.499 -2.370 -7.953 1.00 0.00 C ATOM 883 CG GLN A 60 20.771 -1.471 -9.159 1.00 0.00 C ATOM 884 CD GLN A 60 20.201 -2.123 -10.409 1.00 0.00 C ATOM 885 OE1 GLN A 60 20.695 -3.131 -10.900 1.00 0.00 O ATOM 886 NE2 GLN A 60 19.119 -1.583 -10.914 1.00 0.00 N ATOM 0 H GLN A 60 22.265 -0.672 -7.472 1.00 0.00 H new ATOM 0 HA GLN A 60 19.791 -1.207 -6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.147 -3.243 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.472 -2.729 -8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.318 -0.491 -9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.843 -1.312 -9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.723 -0.744 -10.491 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.673 -2.002 -11.730 1.00 0.00 H new ATOM 895 N THR A 61 22.339 -3.118 -5.417 1.00 0.00 N ATOM 896 CA THR A 61 22.898 -4.254 -4.718 1.00 0.00 C ATOM 897 C THR A 61 22.423 -4.233 -3.263 1.00 0.00 C ATOM 898 O THR A 61 22.513 -3.213 -2.574 1.00 0.00 O ATOM 899 CB THR A 61 24.434 -4.239 -4.881 1.00 0.00 C ATOM 900 OG1 THR A 61 24.925 -2.902 -4.986 1.00 0.00 O ATOM 901 CG2 THR A 61 24.829 -4.969 -6.164 1.00 0.00 C ATOM 0 H THR A 61 23.060 -2.500 -5.789 1.00 0.00 H new ATOM 0 HA THR A 61 22.551 -5.197 -5.140 1.00 0.00 H new ATOM 0 HB THR A 61 24.860 -4.726 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 61 25.832 -2.857 -4.617 1.00 0.00 H new ATOM 0 HG21 THR A 61 25.914 -4.954 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.483 -6.002 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.372 -4.473 -7.020 1.00 0.00 H new ATOM 909 N SER A 62 21.879 -5.368 -2.835 1.00 0.00 N ATOM 910 CA SER A 62 21.165 -5.561 -1.591 1.00 0.00 C ATOM 911 C SER A 62 21.444 -7.004 -1.144 1.00 0.00 C ATOM 912 O SER A 62 22.303 -7.688 -1.716 1.00 0.00 O ATOM 913 CB SER A 62 19.674 -5.320 -1.897 1.00 0.00 C ATOM 914 OG SER A 62 19.409 -3.976 -2.270 1.00 0.00 O ATOM 0 H SER A 62 21.932 -6.225 -3.385 1.00 0.00 H new ATOM 0 HA SER A 62 21.470 -4.885 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 62 19.358 -5.986 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.080 -5.575 -1.019 1.00 0.00 H new ATOM 0 HG SER A 62 19.650 -3.844 -3.211 1.00 0.00 H new ATOM 920 N ASP A 63 20.728 -7.481 -0.128 1.00 0.00 N ATOM 921 CA ASP A 63 20.730 -8.895 0.248 1.00 0.00 C ATOM 922 C ASP A 63 20.295 -9.756 -0.950 1.00 0.00 C ATOM 923 O ASP A 63 19.560 -9.264 -1.820 1.00 0.00 O ATOM 924 CB ASP A 63 19.754 -9.127 1.405 1.00 0.00 C ATOM 925 CG ASP A 63 20.413 -8.884 2.771 1.00 0.00 C ATOM 926 OD1 ASP A 63 21.223 -9.733 3.214 1.00 0.00 O ATOM 927 OD2 ASP A 63 20.131 -7.839 3.406 1.00 0.00 O ATOM 0 H ASP A 63 20.130 -6.899 0.458 1.00 0.00 H new ATOM 0 HA ASP A 63 21.738 -9.174 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.896 -8.465 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.376 -10.148 1.361 1.00 0.00 H new ATOM 932 N PRO A 64 20.702 -11.039 -1.017 1.00 0.00 N ATOM 933 CA PRO A 64 20.186 -11.959 -2.021 1.00 0.00 C ATOM 934 C PRO A 64 18.672 -12.112 -1.844 1.00 0.00 C ATOM 935 O PRO A 64 18.159 -12.018 -0.728 1.00 0.00 O ATOM 936 CB PRO A 64 20.938 -13.276 -1.800 1.00 0.00 C ATOM 937 CG PRO A 64 21.285 -13.237 -0.310 1.00 0.00 C ATOM 938 CD PRO A 64 21.532 -11.751 -0.053 1.00 0.00 C ATOM 0 HA PRO A 64 20.340 -11.607 -3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 64 20.319 -14.139 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 64 21.832 -13.338 -2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 64 20.471 -13.623 0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 64 22.166 -13.837 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 64 21.264 -11.481 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 64 22.585 -11.501 -0.183 1.00 0.00 H new ATOM 946 N ILE A 65 17.952 -12.424 -2.926 1.00 0.00 N ATOM 947 CA ILE A 65 16.487 -12.528 -2.899 1.00 0.00 C ATOM 948 C ILE A 65 16.030 -13.606 -1.907 1.00 0.00 C ATOM 949 O ILE A 65 14.948 -13.525 -1.338 1.00 0.00 O ATOM 950 CB ILE A 65 15.961 -12.777 -4.332 1.00 0.00 C ATOM 951 CG1 ILE A 65 14.483 -12.362 -4.456 1.00 0.00 C ATOM 952 CG2 ILE A 65 16.205 -14.219 -4.813 1.00 0.00 C ATOM 953 CD1 ILE A 65 13.887 -12.586 -5.850 1.00 0.00 C ATOM 0 H ILE A 65 18.364 -12.611 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 65 16.061 -11.589 -2.545 1.00 0.00 H new ATOM 0 HB ILE A 65 16.540 -12.141 -5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.897 -12.922 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.390 -11.307 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.816 -14.336 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 65 17.275 -14.428 -4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.698 -14.916 -4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.844 -12.269 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 65 14.446 -12.004 -6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.946 -13.644 -6.105 1.00 0.00 H new ATOM 965 N GLU A 66 16.883 -14.601 -1.659 1.00 0.00 N ATOM 966 CA GLU A 66 16.617 -15.734 -0.820 1.00 0.00 C ATOM 967 C GLU A 66 16.484 -15.300 0.654 1.00 0.00 C ATOM 968 O GLU A 66 15.801 -15.952 1.447 1.00 0.00 O ATOM 969 CB GLU A 66 17.816 -16.656 -1.083 1.00 0.00 C ATOM 970 CG GLU A 66 17.943 -17.764 -0.059 1.00 0.00 C ATOM 971 CD GLU A 66 19.022 -18.796 -0.435 1.00 0.00 C ATOM 972 OE1 GLU A 66 20.215 -18.583 -0.106 1.00 0.00 O ATOM 973 OE2 GLU A 66 18.683 -19.838 -1.048 1.00 0.00 O ATOM 0 H GLU A 66 17.818 -14.625 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 66 15.674 -16.238 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.719 -17.095 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.731 -16.063 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.182 -17.331 0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.983 -18.269 0.045 1.00 0.00 H new ATOM 980 N ASN A 67 17.130 -14.185 1.014 1.00 0.00 N ATOM 981 CA ASN A 67 17.068 -13.590 2.342 1.00 0.00 C ATOM 982 C ASN A 67 15.655 -13.097 2.678 1.00 0.00 C ATOM 983 O ASN A 67 15.261 -13.090 3.847 1.00 0.00 O ATOM 984 CB ASN A 67 18.034 -12.399 2.399 1.00 0.00 C ATOM 985 CG ASN A 67 18.307 -11.966 3.832 1.00 0.00 C ATOM 986 OD1 ASN A 67 17.630 -11.100 4.383 1.00 0.00 O ATOM 987 ND2 ASN A 67 19.307 -12.566 4.464 1.00 0.00 N ATOM 0 H ASN A 67 17.724 -13.663 0.369 1.00 0.00 H new ATOM 0 HA ASN A 67 17.344 -14.354 3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.973 -12.668 1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.615 -11.563 1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 67 19.528 -12.312 5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.855 -13.282 3.987 1.00 0.00 H new ATOM 994 N PHE A 68 14.904 -12.669 1.661 1.00 0.00 N ATOM 995 CA PHE A 68 13.586 -12.065 1.794 1.00 0.00 C ATOM 996 C PHE A 68 12.487 -13.119 1.831 1.00 0.00 C ATOM 997 O PHE A 68 12.715 -14.291 1.507 1.00 0.00 O ATOM 998 CB PHE A 68 13.333 -11.123 0.609 1.00 0.00 C ATOM 999 CG PHE A 68 14.144 -9.857 0.671 1.00 0.00 C ATOM 1000 CD1 PHE A 68 13.641 -8.767 1.396 1.00 0.00 C ATOM 1001 CD2 PHE A 68 15.392 -9.777 0.028 1.00 0.00 C ATOM 1002 CE1 PHE A 68 14.378 -7.571 1.456 1.00 0.00 C ATOM 1003 CE2 PHE A 68 16.127 -8.580 0.084 1.00 0.00 C ATOM 1004 CZ PHE A 68 15.618 -7.477 0.795 1.00 0.00 C ATOM 0 H PHE A 68 15.212 -12.738 0.691 1.00 0.00 H new ATOM 0 HA PHE A 68 13.565 -11.513 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.562 -11.648 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.274 -10.867 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.692 -8.846 1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 68 15.784 -10.630 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.994 -6.726 2.008 1.00 0.00 H new ATOM 0 HE2 PHE A 68 17.081 -8.507 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 68 16.180 -6.556 0.834 1.00 0.00 H new ATOM 1014 N ASN A 69 11.277 -12.680 2.197 1.00 0.00 N ATOM 1015 CA ASN A 69 10.074 -13.468 2.064 1.00 0.00 C ATOM 1016 C ASN A 69 9.286 -12.894 0.908 1.00 0.00 C ATOM 1017 O ASN A 69 9.053 -11.683 0.871 1.00 0.00 O ATOM 1018 CB ASN A 69 9.216 -13.473 3.330 1.00 0.00 C ATOM 1019 CG ASN A 69 8.143 -14.563 3.324 1.00 0.00 C ATOM 1020 OD1 ASN A 69 7.811 -15.137 2.290 1.00 0.00 O ATOM 1021 ND2 ASN A 69 7.555 -14.855 4.471 1.00 0.00 N ATOM 0 H ASN A 69 11.118 -11.755 2.597 1.00 0.00 H new ATOM 0 HA ASN A 69 10.355 -14.507 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.861 -13.611 4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.737 -12.500 3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.820 -15.561 4.502 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.836 -14.374 5.325 1.00 0.00 H new ATOM 1028 N ALA A 70 8.819 -13.743 -0.001 1.00 0.00 N ATOM 1029 CA ALA A 70 8.084 -13.268 -1.141 1.00 0.00 C ATOM 1030 C ALA A 70 6.696 -12.835 -0.700 1.00 0.00 C ATOM 1031 O ALA A 70 6.100 -11.973 -1.337 1.00 0.00 O ATOM 1032 CB ALA A 70 8.032 -14.334 -2.234 1.00 0.00 C ATOM 0 H ALA A 70 8.941 -14.755 0.039 1.00 0.00 H new ATOM 0 HA ALA A 70 8.591 -12.403 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.471 -13.953 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.046 -14.583 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.542 -15.228 -1.848 1.00 0.00 H new ATOM 1038 N ASP A 71 6.213 -13.395 0.415 1.00 0.00 N ATOM 1039 CA ASP A 71 4.903 -13.080 0.943 1.00 0.00 C ATOM 1040 C ASP A 71 4.807 -11.621 1.420 1.00 0.00 C ATOM 1041 O ASP A 71 3.706 -11.071 1.508 1.00 0.00 O ATOM 1042 CB ASP A 71 4.556 -14.039 2.084 1.00 0.00 C ATOM 1043 CG ASP A 71 3.139 -13.785 2.629 1.00 0.00 C ATOM 1044 OD1 ASP A 71 2.151 -14.079 1.912 1.00 0.00 O ATOM 1045 OD2 ASP A 71 3.006 -13.351 3.799 1.00 0.00 O ATOM 0 H ASP A 71 6.729 -14.079 0.969 1.00 0.00 H new ATOM 0 HA ASP A 71 4.182 -13.202 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.631 -15.067 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.282 -13.925 2.889 1.00 0.00 H new ATOM 1050 N ASP A 72 5.949 -10.979 1.722 1.00 0.00 N ATOM 1051 CA ASP A 72 5.978 -9.570 2.105 1.00 0.00 C ATOM 1052 C ASP A 72 5.730 -8.648 0.904 1.00 0.00 C ATOM 1053 O ASP A 72 5.195 -7.546 1.044 1.00 0.00 O ATOM 1054 CB ASP A 72 7.328 -9.219 2.731 1.00 0.00 C ATOM 1055 CG ASP A 72 7.299 -7.778 3.278 1.00 0.00 C ATOM 1056 OD1 ASP A 72 6.590 -7.521 4.279 1.00 0.00 O ATOM 1057 OD2 ASP A 72 8.004 -6.896 2.733 1.00 0.00 O ATOM 0 H ASP A 72 6.867 -11.424 1.706 1.00 0.00 H new ATOM 0 HA ASP A 72 5.178 -9.417 2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.557 -9.917 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.119 -9.318 1.988 1.00 0.00 H new ATOM 1062 N TYR A 73 6.123 -9.117 -0.279 1.00 0.00 N ATOM 1063 CA TYR A 73 5.988 -8.432 -1.548 1.00 0.00 C ATOM 1064 C TYR A 73 4.595 -8.672 -2.131 1.00 0.00 C ATOM 1065 O TYR A 73 3.846 -9.541 -1.677 1.00 0.00 O ATOM 1066 CB TYR A 73 7.133 -8.839 -2.493 1.00 0.00 C ATOM 1067 CG TYR A 73 8.425 -8.144 -2.108 1.00 0.00 C ATOM 1068 CD1 TYR A 73 9.120 -8.538 -0.948 1.00 0.00 C ATOM 1069 CD2 TYR A 73 8.856 -7.015 -2.831 1.00 0.00 C ATOM 1070 CE1 TYR A 73 10.181 -7.758 -0.457 1.00 0.00 C ATOM 1071 CE2 TYR A 73 9.920 -6.233 -2.348 1.00 0.00 C ATOM 1072 CZ TYR A 73 10.566 -6.584 -1.140 1.00 0.00 C ATOM 1073 OH TYR A 73 11.547 -5.784 -0.637 1.00 0.00 O ATOM 0 H TYR A 73 6.565 -10.031 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 73 6.077 -7.355 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.272 -9.920 -2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.870 -8.585 -3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.836 -9.444 -0.433 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.369 -6.750 -3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.701 -8.056 0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.244 -5.363 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 73 12.184 -6.328 -0.128 1.00 0.00 H new ATOM 1083 N ASP A 74 4.233 -7.872 -3.140 1.00 0.00 N ATOM 1084 CA ASP A 74 2.962 -8.016 -3.848 1.00 0.00 C ATOM 1085 C ASP A 74 3.194 -8.453 -5.288 1.00 0.00 C ATOM 1086 O ASP A 74 2.434 -9.271 -5.813 1.00 0.00 O ATOM 1087 CB ASP A 74 2.187 -6.701 -3.825 1.00 0.00 C ATOM 1088 CG ASP A 74 0.877 -6.833 -4.625 1.00 0.00 C ATOM 1089 OD1 ASP A 74 -0.128 -7.303 -4.039 1.00 0.00 O ATOM 1090 OD2 ASP A 74 0.844 -6.427 -5.810 1.00 0.00 O ATOM 0 H ASP A 74 4.814 -7.108 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 74 2.377 -8.782 -3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.965 -6.421 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.799 -5.904 -4.247 1.00 0.00 H new ATOM 1095 N VAL A 75 4.270 -7.970 -5.917 1.00 0.00 N ATOM 1096 CA VAL A 75 4.477 -8.126 -7.336 1.00 0.00 C ATOM 1097 C VAL A 75 5.949 -8.373 -7.636 1.00 0.00 C ATOM 1098 O VAL A 75 6.842 -7.734 -7.076 1.00 0.00 O ATOM 1099 CB VAL A 75 3.874 -6.898 -8.047 1.00 0.00 C ATOM 1100 CG1 VAL A 75 4.048 -5.524 -7.389 1.00 0.00 C ATOM 1101 CG2 VAL A 75 4.295 -6.842 -9.519 1.00 0.00 C ATOM 0 H VAL A 75 5.016 -7.461 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 75 3.964 -9.007 -7.722 1.00 0.00 H new ATOM 0 HB VAL A 75 2.805 -7.085 -7.950 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.571 -4.762 -8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.587 -5.532 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.110 -5.299 -7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.853 -5.965 -9.991 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.381 -6.781 -9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.951 -7.741 -10.030 1.00 0.00 H new ATOM 1111 N VAL A 76 6.211 -9.332 -8.516 1.00 0.00 N ATOM 1112 CA VAL A 76 7.550 -9.779 -8.822 1.00 0.00 C ATOM 1113 C VAL A 76 7.572 -10.060 -10.320 1.00 0.00 C ATOM 1114 O VAL A 76 6.679 -10.726 -10.854 1.00 0.00 O ATOM 1115 CB VAL A 76 7.875 -11.017 -7.970 1.00 0.00 C ATOM 1116 CG1 VAL A 76 9.231 -11.627 -8.362 1.00 0.00 C ATOM 1117 CG2 VAL A 76 7.893 -10.740 -6.450 1.00 0.00 C ATOM 0 H VAL A 76 5.486 -9.822 -9.039 1.00 0.00 H new ATOM 0 HA VAL A 76 8.314 -9.038 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 76 7.064 -11.715 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.430 -12.500 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.206 -11.925 -9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.019 -10.888 -8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.129 -11.660 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.648 -9.986 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.914 -10.378 -6.135 1.00 0.00 H new ATOM 1127 N ILE A 77 8.586 -9.524 -10.993 1.00 0.00 N ATOM 1128 CA ILE A 77 8.708 -9.520 -12.438 1.00 0.00 C ATOM 1129 C ILE A 77 9.960 -10.306 -12.763 1.00 0.00 C ATOM 1130 O ILE A 77 11.043 -9.960 -12.282 1.00 0.00 O ATOM 1131 CB ILE A 77 8.797 -8.060 -12.933 1.00 0.00 C ATOM 1132 CG1 ILE A 77 7.644 -7.173 -12.414 1.00 0.00 C ATOM 1133 CG2 ILE A 77 8.931 -7.992 -14.464 1.00 0.00 C ATOM 1134 CD1 ILE A 77 6.240 -7.620 -12.826 1.00 0.00 C ATOM 0 H ILE A 77 9.369 -9.066 -10.527 1.00 0.00 H new ATOM 0 HA ILE A 77 7.849 -9.974 -12.933 1.00 0.00 H new ATOM 0 HB ILE A 77 9.708 -7.644 -12.503 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.693 -7.142 -11.326 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.802 -6.155 -12.769 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.991 -6.950 -14.778 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.835 -8.517 -14.774 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.062 -8.461 -14.926 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.503 -6.932 -12.412 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.163 -7.622 -13.913 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.052 -8.625 -12.447 1.00 0.00 H new ATOM 1146 N SER A 78 9.823 -11.319 -13.609 1.00 0.00 N ATOM 1147 CA SER A 78 10.967 -12.009 -14.165 1.00 0.00 C ATOM 1148 C SER A 78 11.250 -11.367 -15.517 1.00 0.00 C ATOM 1149 O SER A 78 10.489 -11.514 -16.471 1.00 0.00 O ATOM 1150 CB SER A 78 10.679 -13.507 -14.241 1.00 0.00 C ATOM 1151 OG SER A 78 10.350 -14.002 -12.953 1.00 0.00 O ATOM 0 H SER A 78 8.922 -11.679 -13.923 1.00 0.00 H new ATOM 0 HA SER A 78 11.858 -11.916 -13.544 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.857 -13.693 -14.932 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.550 -14.034 -14.631 1.00 0.00 H new ATOM 0 HG SER A 78 10.476 -14.974 -12.934 1.00 0.00 H new ATOM 1157 N LEU A 79 12.346 -10.613 -15.592 1.00 0.00 N ATOM 1158 CA LEU A 79 12.751 -9.907 -16.809 1.00 0.00 C ATOM 1159 C LEU A 79 13.331 -10.865 -17.851 1.00 0.00 C ATOM 1160 O LEU A 79 13.551 -10.445 -18.989 1.00 0.00 O ATOM 1161 CB LEU A 79 13.827 -8.861 -16.456 1.00 0.00 C ATOM 1162 CG LEU A 79 13.367 -7.698 -15.566 1.00 0.00 C ATOM 1163 CD1 LEU A 79 14.618 -6.925 -15.137 1.00 0.00 C ATOM 1164 CD2 LEU A 79 12.432 -6.746 -16.317 1.00 0.00 C ATOM 0 H LEU A 79 12.982 -10.473 -14.807 1.00 0.00 H new ATOM 0 HA LEU A 79 11.865 -9.431 -17.229 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.651 -9.371 -15.957 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.223 -8.448 -17.384 1.00 0.00 H new ATOM 0 HG LEU A 79 12.820 -8.097 -14.712 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.329 -6.088 -14.501 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.283 -7.588 -14.584 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.133 -6.548 -16.020 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.128 -5.936 -15.654 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.952 -6.332 -17.181 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.550 -7.291 -16.652 1.00 0.00 H new ATOM 1176 N CYS A 80 13.643 -12.098 -17.437 1.00 0.00 N ATOM 1177 CA CYS A 80 14.390 -13.072 -18.212 1.00 0.00 C ATOM 1178 C CYS A 80 13.803 -14.466 -17.964 1.00 0.00 C ATOM 1179 O CYS A 80 14.240 -15.168 -17.048 1.00 0.00 O ATOM 1180 CB CYS A 80 15.864 -13.024 -17.762 1.00 0.00 C ATOM 1181 SG CYS A 80 16.648 -11.393 -17.780 1.00 0.00 S ATOM 0 H CYS A 80 13.369 -12.449 -16.519 1.00 0.00 H new ATOM 0 HA CYS A 80 14.327 -12.848 -19.277 1.00 0.00 H new ATOM 0 HB2 CYS A 80 15.927 -13.424 -16.750 1.00 0.00 H new ATOM 0 HB3 CYS A 80 16.441 -13.689 -18.404 1.00 0.00 H new ATOM 1186 N GLY A 81 12.823 -14.874 -18.769 1.00 0.00 N ATOM 1187 CA GLY A 81 12.211 -16.192 -18.651 1.00 0.00 C ATOM 1188 C GLY A 81 11.478 -16.356 -17.314 1.00 0.00 C ATOM 1189 O GLY A 81 11.069 -15.369 -16.692 1.00 0.00 O ATOM 0 H GLY A 81 12.434 -14.301 -19.518 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.510 -16.343 -19.472 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.979 -16.960 -18.742 1.00 0.00 H new ATOM 1193 N SER A 82 11.337 -17.604 -16.859 1.00 0.00 N ATOM 1194 CA SER A 82 10.681 -17.960 -15.601 1.00 0.00 C ATOM 1195 C SER A 82 11.094 -19.380 -15.187 1.00 0.00 C ATOM 1196 O SER A 82 11.441 -20.199 -16.043 1.00 0.00 O ATOM 1197 CB SER A 82 9.152 -17.814 -15.734 1.00 0.00 C ATOM 1198 OG SER A 82 8.638 -18.239 -16.997 1.00 0.00 O ATOM 0 H SER A 82 11.686 -18.415 -17.370 1.00 0.00 H new ATOM 0 HA SER A 82 11.000 -17.277 -14.813 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.672 -18.392 -14.944 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.881 -16.770 -15.575 1.00 0.00 H new ATOM 0 HG SER A 82 7.665 -18.121 -17.011 1.00 0.00 H new ATOM 1204 N GLY A 83 11.075 -19.670 -13.877 1.00 0.00 N ATOM 1205 CA GLY A 83 11.474 -20.974 -13.339 1.00 0.00 C ATOM 1206 C GLY A 83 12.938 -21.291 -13.656 1.00 0.00 C ATOM 1207 O GLY A 83 13.293 -22.454 -13.852 1.00 0.00 O ATOM 0 H GLY A 83 10.782 -19.004 -13.162 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.325 -20.984 -12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.834 -21.752 -13.756 1.00 0.00 H new ATOM 1211 N VAL A 84 13.782 -20.253 -13.745 1.00 0.00 N ATOM 1212 CA VAL A 84 15.148 -20.375 -14.259 1.00 0.00 C ATOM 1213 C VAL A 84 16.066 -21.140 -13.289 1.00 0.00 C ATOM 1214 O VAL A 84 16.898 -21.938 -13.726 1.00 0.00 O ATOM 1215 CB VAL A 84 15.679 -18.976 -14.669 1.00 0.00 C ATOM 1216 CG1 VAL A 84 14.869 -18.398 -15.843 1.00 0.00 C ATOM 1217 CG2 VAL A 84 15.702 -17.932 -13.536 1.00 0.00 C ATOM 0 H VAL A 84 13.533 -19.305 -13.461 1.00 0.00 H new ATOM 0 HA VAL A 84 15.140 -20.988 -15.160 1.00 0.00 H new ATOM 0 HB VAL A 84 16.714 -19.160 -14.956 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.263 -17.417 -16.109 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.946 -19.065 -16.702 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.823 -18.302 -15.551 1.00 0.00 H new ATOM 0 HG21 VAL A 84 16.088 -16.988 -13.919 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.691 -17.784 -13.157 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.343 -18.285 -12.729 1.00 0.00 H new ATOM 1227 N ASN A 85 15.903 -20.906 -11.981 1.00 0.00 N ATOM 1228 CA ASN A 85 16.601 -21.552 -10.853 1.00 0.00 C ATOM 1229 C ASN A 85 16.064 -20.928 -9.557 1.00 0.00 C ATOM 1230 O ASN A 85 15.807 -21.618 -8.569 1.00 0.00 O ATOM 1231 CB ASN A 85 18.123 -21.298 -10.907 1.00 0.00 C ATOM 1232 CG ASN A 85 18.812 -21.766 -9.627 1.00 0.00 C ATOM 1233 OD1 ASN A 85 19.120 -20.965 -8.749 1.00 0.00 O ATOM 1234 ND2 ASN A 85 19.053 -23.062 -9.484 1.00 0.00 N ATOM 0 H ASN A 85 15.232 -20.210 -11.655 1.00 0.00 H new ATOM 0 HA ASN A 85 16.427 -22.627 -10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 85 18.550 -21.820 -11.763 1.00 0.00 H new ATOM 0 HB3 ASN A 85 18.311 -20.235 -11.055 1.00 0.00 H new ATOM 0 HD21 ASN A 85 19.501 -23.407 -8.635 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.791 -23.714 -10.223 1.00 0.00 H new ATOM 1241 N LEU A 86 15.882 -19.602 -9.622 1.00 0.00 N ATOM 1242 CA LEU A 86 15.227 -18.719 -8.658 1.00 0.00 C ATOM 1243 C LEU A 86 13.988 -19.373 -8.000 1.00 0.00 C ATOM 1244 O LEU A 86 13.212 -20.006 -8.723 1.00 0.00 O ATOM 1245 CB LEU A 86 14.877 -17.441 -9.447 1.00 0.00 C ATOM 1246 CG LEU A 86 13.971 -16.441 -8.713 1.00 0.00 C ATOM 1247 CD1 LEU A 86 14.441 -15.010 -8.992 1.00 0.00 C ATOM 1248 CD2 LEU A 86 12.530 -16.558 -9.227 1.00 0.00 C ATOM 0 H LEU A 86 16.223 -19.076 -10.427 1.00 0.00 H new ATOM 0 HA LEU A 86 15.882 -18.496 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 86 15.804 -16.935 -9.716 1.00 0.00 H new ATOM 0 HB3 LEU A 86 14.390 -17.731 -10.378 1.00 0.00 H new ATOM 0 HG LEU A 86 14.017 -16.663 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.794 -14.306 -8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.466 -14.889 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.397 -14.815 -10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.897 -15.845 -8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.506 -16.344 -10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.162 -17.569 -9.051 1.00 0.00 H new ATOM 1260 N PRO A 87 13.773 -19.221 -6.671 1.00 0.00 N ATOM 1261 CA PRO A 87 12.757 -19.997 -5.963 1.00 0.00 C ATOM 1262 C PRO A 87 11.299 -19.720 -6.376 1.00 0.00 C ATOM 1263 O PRO A 87 10.975 -18.579 -6.721 1.00 0.00 O ATOM 1264 CB PRO A 87 12.987 -19.773 -4.465 1.00 0.00 C ATOM 1265 CG PRO A 87 14.456 -19.371 -4.390 1.00 0.00 C ATOM 1266 CD PRO A 87 14.657 -18.594 -5.690 1.00 0.00 C ATOM 0 HA PRO A 87 12.881 -21.044 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.336 -18.993 -4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.787 -20.676 -3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.664 -18.756 -3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.111 -20.240 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.410 -17.541 -5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.696 -18.639 -6.015 1.00 0.00 H new ATOM 1274 N PRO A 88 10.388 -20.715 -6.308 1.00 0.00 N ATOM 1275 CA PRO A 88 9.043 -20.583 -6.860 1.00 0.00 C ATOM 1276 C PRO A 88 8.162 -19.526 -6.211 1.00 0.00 C ATOM 1277 O PRO A 88 7.389 -18.901 -6.933 1.00 0.00 O ATOM 1278 CB PRO A 88 8.395 -21.968 -6.764 1.00 0.00 C ATOM 1279 CG PRO A 88 9.593 -22.914 -6.747 1.00 0.00 C ATOM 1280 CD PRO A 88 10.631 -22.114 -5.967 1.00 0.00 C ATOM 0 HA PRO A 88 9.138 -20.228 -7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.790 -22.068 -5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.739 -22.165 -7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.357 -23.859 -6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.936 -23.153 -7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 88 10.528 -22.279 -4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.643 -22.414 -6.240 1.00 0.00 H new ATOM 1288 N GLU A 89 8.275 -19.264 -4.907 1.00 0.00 N ATOM 1289 CA GLU A 89 7.388 -18.320 -4.226 1.00 0.00 C ATOM 1290 C GLU A 89 7.500 -16.895 -4.793 1.00 0.00 C ATOM 1291 O GLU A 89 6.635 -16.053 -4.542 1.00 0.00 O ATOM 1292 CB GLU A 89 7.614 -18.345 -2.702 1.00 0.00 C ATOM 1293 CG GLU A 89 9.040 -17.995 -2.238 1.00 0.00 C ATOM 1294 CD GLU A 89 9.883 -19.258 -1.962 1.00 0.00 C ATOM 1295 OE1 GLU A 89 10.072 -20.084 -2.887 1.00 0.00 O ATOM 1296 OE2 GLU A 89 10.353 -19.430 -0.810 1.00 0.00 O ATOM 0 H GLU A 89 8.974 -19.694 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 89 6.366 -18.648 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.918 -17.647 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.364 -19.339 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.531 -17.390 -3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.989 -17.388 -1.334 1.00 0.00 H new ATOM 1303 N TRP A 90 8.545 -16.626 -5.578 1.00 0.00 N ATOM 1304 CA TRP A 90 8.754 -15.355 -6.242 1.00 0.00 C ATOM 1305 C TRP A 90 7.900 -15.252 -7.501 1.00 0.00 C ATOM 1306 O TRP A 90 7.210 -14.256 -7.712 1.00 0.00 O ATOM 1307 CB TRP A 90 10.253 -15.217 -6.508 1.00 0.00 C ATOM 1308 CG TRP A 90 11.026 -15.024 -5.242 1.00 0.00 C ATOM 1309 CD1 TRP A 90 11.793 -15.940 -4.612 1.00 0.00 C ATOM 1310 CD2 TRP A 90 10.983 -13.874 -4.358 1.00 0.00 C ATOM 1311 NE1 TRP A 90 12.192 -15.442 -3.383 1.00 0.00 N ATOM 1312 CE2 TRP A 90 11.671 -14.185 -3.152 1.00 0.00 C ATOM 1313 CE3 TRP A 90 10.378 -12.608 -4.454 1.00 0.00 C ATOM 1314 CZ2 TRP A 90 11.716 -13.287 -2.075 1.00 0.00 C ATOM 1315 CZ3 TRP A 90 10.406 -11.703 -3.383 1.00 0.00 C ATOM 1316 CH2 TRP A 90 11.079 -12.039 -2.197 1.00 0.00 C ATOM 0 H TRP A 90 9.281 -17.306 -5.769 1.00 0.00 H new ATOM 0 HA TRP A 90 8.434 -14.523 -5.615 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.614 -16.107 -7.022 1.00 0.00 H new ATOM 0 HB3 TRP A 90 10.428 -14.371 -7.173 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.055 -16.911 -5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.796 -15.942 -2.730 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.882 -12.327 -5.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.233 -13.551 -1.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.910 -10.748 -3.470 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.107 -11.337 -1.377 1.00 0.00 H new ATOM 1327 N VAL A 91 7.890 -16.306 -8.312 1.00 0.00 N ATOM 1328 CA VAL A 91 7.131 -16.371 -9.548 1.00 0.00 C ATOM 1329 C VAL A 91 5.652 -16.700 -9.305 1.00 0.00 C ATOM 1330 O VAL A 91 4.884 -16.717 -10.263 1.00 0.00 O ATOM 1331 CB VAL A 91 7.827 -17.294 -10.570 1.00 0.00 C ATOM 1332 CG1 VAL A 91 9.126 -16.646 -11.068 1.00 0.00 C ATOM 1333 CG2 VAL A 91 8.156 -18.695 -10.043 1.00 0.00 C ATOM 0 H VAL A 91 8.422 -17.155 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 91 7.118 -15.378 -9.997 1.00 0.00 H new ATOM 0 HB VAL A 91 7.105 -17.420 -11.377 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.609 -17.306 -11.789 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.898 -15.693 -11.545 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.796 -16.478 -10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.643 -19.274 -10.828 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.823 -18.614 -9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.236 -19.195 -9.741 1.00 0.00 H new ATOM 1343 N THR A 92 5.217 -16.914 -8.057 1.00 0.00 N ATOM 1344 CA THR A 92 3.813 -17.138 -7.734 1.00 0.00 C ATOM 1345 C THR A 92 3.162 -15.973 -6.977 1.00 0.00 C ATOM 1346 O THR A 92 2.112 -16.163 -6.350 1.00 0.00 O ATOM 1347 CB THR A 92 3.683 -18.481 -7.000 1.00 0.00 C ATOM 1348 OG1 THR A 92 4.410 -18.455 -5.785 1.00 0.00 O ATOM 1349 CG2 THR A 92 4.209 -19.640 -7.848 1.00 0.00 C ATOM 0 H THR A 92 5.834 -16.936 -7.245 1.00 0.00 H new ATOM 0 HA THR A 92 3.249 -17.186 -8.665 1.00 0.00 H new ATOM 0 HB THR A 92 2.622 -18.633 -6.804 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.316 -19.317 -5.329 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.101 -20.573 -7.296 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.640 -19.699 -8.776 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.262 -19.474 -8.078 1.00 0.00 H new ATOM 1357 N GLN A 93 3.750 -14.767 -7.015 1.00 0.00 N ATOM 1358 CA GLN A 93 3.140 -13.613 -6.368 1.00 0.00 C ATOM 1359 C GLN A 93 1.821 -13.204 -7.053 1.00 0.00 C ATOM 1360 O GLN A 93 1.467 -13.752 -8.100 1.00 0.00 O ATOM 1361 CB GLN A 93 4.163 -12.472 -6.174 1.00 0.00 C ATOM 1362 CG GLN A 93 5.164 -12.802 -5.050 1.00 0.00 C ATOM 1363 CD GLN A 93 4.461 -13.206 -3.746 1.00 0.00 C ATOM 1364 OE1 GLN A 93 3.562 -12.516 -3.268 1.00 0.00 O ATOM 1365 NE2 GLN A 93 4.783 -14.368 -3.193 1.00 0.00 N ATOM 0 H GLN A 93 4.636 -14.575 -7.483 1.00 0.00 H new ATOM 0 HA GLN A 93 2.842 -13.894 -5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.702 -12.302 -7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.638 -11.547 -5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.817 -13.612 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.798 -11.935 -4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.530 -14.935 -3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.284 -14.695 -2.366 1.00 0.00 H new ATOM 1374 N GLU A 94 1.087 -12.255 -6.449 1.00 0.00 N ATOM 1375 CA GLU A 94 -0.293 -11.915 -6.835 1.00 0.00 C ATOM 1376 C GLU A 94 -0.410 -11.560 -8.324 1.00 0.00 C ATOM 1377 O GLU A 94 -1.429 -11.843 -8.960 1.00 0.00 O ATOM 1378 CB GLU A 94 -0.833 -10.769 -5.958 1.00 0.00 C ATOM 1379 CG GLU A 94 -0.943 -11.122 -4.465 1.00 0.00 C ATOM 1380 CD GLU A 94 -1.935 -12.274 -4.208 1.00 0.00 C ATOM 1381 OE1 GLU A 94 -3.169 -12.040 -4.232 1.00 0.00 O ATOM 1382 OE2 GLU A 94 -1.492 -13.422 -3.962 1.00 0.00 O ATOM 0 H GLU A 94 1.438 -11.697 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.902 -12.803 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.181 -9.902 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.817 -10.477 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.040 -11.401 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.261 -10.241 -3.908 1.00 0.00 H new ATOM 1389 N ILE A 95 0.652 -10.973 -8.874 1.00 0.00 N ATOM 1390 CA ILE A 95 0.870 -10.762 -10.290 1.00 0.00 C ATOM 1391 C ILE A 95 2.272 -11.322 -10.531 1.00 0.00 C ATOM 1392 O ILE A 95 3.241 -10.950 -9.854 1.00 0.00 O ATOM 1393 CB ILE A 95 0.689 -9.284 -10.716 1.00 0.00 C ATOM 1394 CG1 ILE A 95 1.375 -9.021 -12.082 1.00 0.00 C ATOM 1395 CG2 ILE A 95 1.184 -8.335 -9.618 1.00 0.00 C ATOM 1396 CD1 ILE A 95 1.071 -7.661 -12.724 1.00 0.00 C ATOM 0 H ILE A 95 1.420 -10.615 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 95 0.130 -11.266 -10.911 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.374 -9.084 -10.849 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.453 -9.108 -11.950 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.075 -9.806 -12.776 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.047 -7.303 -9.940 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.616 -8.509 -8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.242 -8.518 -9.428 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.600 -7.581 -13.674 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.001 -7.572 -12.897 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.398 -6.863 -12.058 1.00 0.00 H new ATOM 1408 N PHE A 96 2.352 -12.227 -11.498 1.00 0.00 N ATOM 1409 CA PHE A 96 3.579 -12.756 -12.056 1.00 0.00 C ATOM 1410 C PHE A 96 3.668 -12.200 -13.479 1.00 0.00 C ATOM 1411 O PHE A 96 2.650 -12.156 -14.179 1.00 0.00 O ATOM 1412 CB PHE A 96 3.525 -14.287 -12.019 1.00 0.00 C ATOM 1413 CG PHE A 96 4.412 -14.984 -13.032 1.00 0.00 C ATOM 1414 CD1 PHE A 96 5.814 -14.865 -12.963 1.00 0.00 C ATOM 1415 CD2 PHE A 96 3.821 -15.725 -14.075 1.00 0.00 C ATOM 1416 CE1 PHE A 96 6.620 -15.484 -13.937 1.00 0.00 C ATOM 1417 CE2 PHE A 96 4.625 -16.346 -15.042 1.00 0.00 C ATOM 1418 CZ PHE A 96 6.020 -16.223 -14.974 1.00 0.00 C ATOM 0 H PHE A 96 1.520 -12.628 -11.932 1.00 0.00 H new ATOM 0 HA PHE A 96 4.467 -12.465 -11.495 1.00 0.00 H new ATOM 0 HB2 PHE A 96 3.807 -14.621 -11.021 1.00 0.00 H new ATOM 0 HB3 PHE A 96 2.495 -14.603 -12.182 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.270 -14.300 -12.164 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.746 -15.815 -14.130 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.695 -15.392 -13.889 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.170 -16.918 -15.837 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.638 -16.698 -15.722 1.00 0.00 H new ATOM 1428 N GLU A 97 4.859 -11.790 -13.912 1.00 0.00 N ATOM 1429 CA GLU A 97 5.123 -11.446 -15.303 1.00 0.00 C ATOM 1430 C GLU A 97 6.445 -12.100 -15.684 1.00 0.00 C ATOM 1431 O GLU A 97 7.366 -12.183 -14.862 1.00 0.00 O ATOM 1432 CB GLU A 97 5.203 -9.928 -15.532 1.00 0.00 C ATOM 1433 CG GLU A 97 3.897 -9.140 -15.328 1.00 0.00 C ATOM 1434 CD GLU A 97 2.869 -9.269 -16.474 1.00 0.00 C ATOM 1435 OE1 GLU A 97 2.811 -10.310 -17.175 1.00 0.00 O ATOM 1436 OE2 GLU A 97 2.082 -8.309 -16.667 1.00 0.00 O ATOM 0 H GLU A 97 5.670 -11.687 -13.302 1.00 0.00 H new ATOM 0 HA GLU A 97 4.300 -11.805 -15.922 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.958 -9.520 -14.860 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.553 -9.753 -16.549 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.430 -9.475 -14.402 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.143 -8.086 -15.198 1.00 0.00 H new ATOM 1443 N ASP A 98 6.527 -12.535 -16.938 1.00 0.00 N ATOM 1444 CA ASP A 98 7.686 -13.158 -17.562 1.00 0.00 C ATOM 1445 C ASP A 98 7.926 -12.403 -18.865 1.00 0.00 C ATOM 1446 O ASP A 98 7.004 -12.255 -19.679 1.00 0.00 O ATOM 1447 CB ASP A 98 7.440 -14.658 -17.799 1.00 0.00 C ATOM 1448 CG ASP A 98 7.889 -15.146 -19.192 1.00 0.00 C ATOM 1449 OD1 ASP A 98 9.103 -15.127 -19.496 1.00 0.00 O ATOM 1450 OD2 ASP A 98 7.019 -15.590 -19.983 1.00 0.00 O ATOM 0 H ASP A 98 5.740 -12.457 -17.582 1.00 0.00 H new ATOM 0 HA ASP A 98 8.567 -13.100 -16.922 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.968 -15.229 -17.036 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.377 -14.867 -17.675 1.00 0.00 H new ATOM 1455 N TRP A 99 9.148 -11.905 -19.041 1.00 0.00 N ATOM 1456 CA TRP A 99 9.572 -11.159 -20.209 1.00 0.00 C ATOM 1457 C TRP A 99 10.952 -11.669 -20.650 1.00 0.00 C ATOM 1458 O TRP A 99 11.550 -12.544 -20.014 1.00 0.00 O ATOM 1459 CB TRP A 99 9.646 -9.656 -19.884 1.00 0.00 C ATOM 1460 CG TRP A 99 8.520 -8.974 -19.153 1.00 0.00 C ATOM 1461 CD1 TRP A 99 8.654 -8.356 -17.959 1.00 0.00 C ATOM 1462 CD2 TRP A 99 7.143 -8.713 -19.570 1.00 0.00 C ATOM 1463 NE1 TRP A 99 7.487 -7.699 -17.629 1.00 0.00 N ATOM 1464 CE2 TRP A 99 6.524 -7.868 -18.597 1.00 0.00 C ATOM 1465 CE3 TRP A 99 6.359 -9.070 -20.689 1.00 0.00 C ATOM 1466 CZ2 TRP A 99 5.220 -7.375 -18.740 1.00 0.00 C ATOM 1467 CZ3 TRP A 99 5.034 -8.611 -20.826 1.00 0.00 C ATOM 1468 CH2 TRP A 99 4.465 -7.760 -19.861 1.00 0.00 C ATOM 0 H TRP A 99 9.889 -12.017 -18.349 1.00 0.00 H new ATOM 0 HA TRP A 99 8.851 -11.302 -21.014 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.552 -9.498 -19.298 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.782 -9.129 -20.829 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.546 -8.374 -17.351 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.355 -7.157 -16.775 1.00 0.00 H new ATOM 0 HE3 TRP A 99 6.782 -9.706 -21.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.802 -6.709 -18.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 4.449 -8.916 -21.681 1.00 0.00 H new ATOM 0 HH2 TRP A 99 3.452 -7.404 -19.981 1.00 0.00 H new ATOM 1479 N GLN A 100 11.482 -11.090 -21.730 1.00 0.00 N ATOM 1480 CA GLN A 100 12.859 -11.287 -22.163 1.00 0.00 C ATOM 1481 C GLN A 100 13.351 -9.923 -22.666 1.00 0.00 C ATOM 1482 O GLN A 100 13.438 -9.686 -23.873 1.00 0.00 O ATOM 1483 CB GLN A 100 12.907 -12.428 -23.202 1.00 0.00 C ATOM 1484 CG GLN A 100 14.333 -12.909 -23.519 1.00 0.00 C ATOM 1485 CD GLN A 100 14.985 -13.635 -22.338 1.00 0.00 C ATOM 1486 OE1 GLN A 100 15.745 -13.049 -21.574 1.00 0.00 O ATOM 1487 NE2 GLN A 100 14.693 -14.914 -22.148 1.00 0.00 N ATOM 0 H GLN A 100 10.954 -10.461 -22.335 1.00 0.00 H new ATOM 0 HA GLN A 100 13.530 -11.609 -21.367 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.322 -13.270 -22.833 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.433 -12.090 -24.123 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.304 -13.576 -24.380 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.947 -12.053 -23.799 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.060 -15.393 -22.788 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.101 -15.419 -21.361 1.00 0.00 H new ATOM 1496 N LEU A 101 13.585 -8.985 -21.734 1.00 0.00 N ATOM 1497 CA LEU A 101 14.089 -7.649 -22.078 1.00 0.00 C ATOM 1498 C LEU A 101 15.513 -7.792 -22.610 1.00 0.00 C ATOM 1499 O LEU A 101 16.273 -8.628 -22.124 1.00 0.00 O ATOM 1500 CB LEU A 101 14.057 -6.667 -20.888 1.00 0.00 C ATOM 1501 CG LEU A 101 12.729 -5.918 -20.664 1.00 0.00 C ATOM 1502 CD1 LEU A 101 12.274 -5.047 -21.851 1.00 0.00 C ATOM 1503 CD2 LEU A 101 11.610 -6.871 -20.262 1.00 0.00 C ATOM 0 H LEU A 101 13.432 -9.129 -20.736 1.00 0.00 H new ATOM 0 HA LEU A 101 13.432 -7.225 -22.837 1.00 0.00 H new ATOM 0 HB2 LEU A 101 14.297 -7.220 -19.980 1.00 0.00 H new ATOM 0 HB3 LEU A 101 14.847 -5.930 -21.030 1.00 0.00 H new ATOM 0 HG LEU A 101 12.940 -5.231 -19.844 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.332 -4.558 -21.604 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.031 -4.291 -22.059 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.137 -5.675 -22.731 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.689 -6.308 -20.112 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.460 -7.609 -21.050 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.879 -7.378 -19.336 1.00 0.00 H new ATOM 1515 N GLU A 102 15.892 -6.948 -23.562 1.00 0.00 N ATOM 1516 CA GLU A 102 17.260 -6.823 -24.040 1.00 0.00 C ATOM 1517 C GLU A 102 18.072 -5.987 -23.042 1.00 0.00 C ATOM 1518 O GLU A 102 17.505 -5.384 -22.129 1.00 0.00 O ATOM 1519 CB GLU A 102 17.251 -6.229 -25.459 1.00 0.00 C ATOM 1520 CG GLU A 102 16.681 -7.225 -26.479 1.00 0.00 C ATOM 1521 CD GLU A 102 16.357 -6.536 -27.814 1.00 0.00 C ATOM 1522 OE1 GLU A 102 15.262 -5.933 -27.915 1.00 0.00 O ATOM 1523 OE2 GLU A 102 17.182 -6.606 -28.760 1.00 0.00 O ATOM 0 H GLU A 102 15.241 -6.319 -24.032 1.00 0.00 H new ATOM 0 HA GLU A 102 17.742 -7.799 -24.105 1.00 0.00 H new ATOM 0 HB2 GLU A 102 16.657 -5.315 -25.469 1.00 0.00 H new ATOM 0 HB3 GLU A 102 18.266 -5.952 -25.746 1.00 0.00 H new ATOM 0 HG2 GLU A 102 17.399 -8.028 -26.647 1.00 0.00 H new ATOM 0 HG3 GLU A 102 15.778 -7.684 -26.076 1.00 0.00 H new ATOM 1530 N ASP A 103 19.396 -5.938 -23.199 1.00 0.00 N ATOM 1531 CA ASP A 103 20.296 -5.178 -22.345 1.00 0.00 C ATOM 1532 C ASP A 103 21.414 -4.536 -23.186 1.00 0.00 C ATOM 1533 O ASP A 103 21.914 -5.182 -24.113 1.00 0.00 O ATOM 1534 CB ASP A 103 20.883 -6.075 -21.256 1.00 0.00 C ATOM 1535 CG ASP A 103 21.784 -5.232 -20.362 1.00 0.00 C ATOM 1536 OD1 ASP A 103 21.248 -4.600 -19.424 1.00 0.00 O ATOM 1537 OD2 ASP A 103 22.996 -5.149 -20.625 1.00 0.00 O ATOM 0 H ASP A 103 19.879 -6.440 -23.944 1.00 0.00 H new ATOM 0 HA ASP A 103 19.730 -4.382 -21.861 1.00 0.00 H new ATOM 0 HB2 ASP A 103 20.084 -6.528 -20.668 1.00 0.00 H new ATOM 0 HB3 ASP A 103 21.451 -6.890 -21.704 1.00 0.00 H new ATOM 1542 N PRO A 104 21.799 -3.274 -22.919 1.00 0.00 N ATOM 1543 CA PRO A 104 22.759 -2.539 -23.739 1.00 0.00 C ATOM 1544 C PRO A 104 24.246 -2.770 -23.400 1.00 0.00 C ATOM 1545 O PRO A 104 25.086 -2.153 -24.057 1.00 0.00 O ATOM 1546 CB PRO A 104 22.355 -1.081 -23.556 1.00 0.00 C ATOM 1547 CG PRO A 104 21.909 -1.034 -22.098 1.00 0.00 C ATOM 1548 CD PRO A 104 21.164 -2.356 -21.972 1.00 0.00 C ATOM 0 HA PRO A 104 22.711 -2.887 -24.771 1.00 0.00 H new ATOM 0 HB2 PRO A 104 23.188 -0.404 -23.746 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.551 -0.796 -24.234 1.00 0.00 H new ATOM 0 HG2 PRO A 104 22.753 -0.971 -21.412 1.00 0.00 H new ATOM 0 HG3 PRO A 104 21.266 -0.178 -21.892 1.00 0.00 H new ATOM 0 HD2 PRO A 104 21.226 -2.742 -20.955 1.00 0.00 H new ATOM 0 HD3 PRO A 104 20.106 -2.230 -22.202 1.00 0.00 H new ATOM 1556 N ASP A 105 24.610 -3.607 -22.418 1.00 0.00 N ATOM 1557 CA ASP A 105 26.013 -3.833 -22.058 1.00 0.00 C ATOM 1558 C ASP A 105 26.834 -4.240 -23.289 1.00 0.00 C ATOM 1559 O ASP A 105 26.501 -5.216 -23.972 1.00 0.00 O ATOM 1560 CB ASP A 105 26.169 -4.915 -20.982 1.00 0.00 C ATOM 1561 CG ASP A 105 27.647 -5.346 -20.849 1.00 0.00 C ATOM 1562 OD1 ASP A 105 28.537 -4.468 -20.731 1.00 0.00 O ATOM 1563 OD2 ASP A 105 27.931 -6.568 -20.892 1.00 0.00 O ATOM 0 H ASP A 105 23.946 -4.141 -21.857 1.00 0.00 H new ATOM 0 HA ASP A 105 26.383 -2.889 -21.658 1.00 0.00 H new ATOM 0 HB2 ASP A 105 25.808 -4.538 -20.025 1.00 0.00 H new ATOM 0 HB3 ASP A 105 25.555 -5.779 -21.236 1.00 0.00 H new ATOM 1568 N GLY A 106 27.904 -3.487 -23.571 1.00 0.00 N ATOM 1569 CA GLY A 106 28.817 -3.748 -24.676 1.00 0.00 C ATOM 1570 C GLY A 106 28.224 -3.434 -26.054 1.00 0.00 C ATOM 1571 O GLY A 106 28.883 -3.702 -27.064 1.00 0.00 O ATOM 0 H GLY A 106 28.159 -2.665 -23.024 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.721 -3.156 -24.536 1.00 0.00 H new ATOM 0 HA3 GLY A 106 29.115 -4.796 -24.649 1.00 0.00 H new ATOM 1575 N GLN A 107 27.009 -2.878 -26.118 1.00 0.00 N ATOM 1576 CA GLN A 107 26.337 -2.500 -27.356 1.00 0.00 C ATOM 1577 C GLN A 107 26.421 -0.976 -27.557 1.00 0.00 C ATOM 1578 O GLN A 107 26.785 -0.229 -26.644 1.00 0.00 O ATOM 1579 CB GLN A 107 24.883 -3.011 -27.384 1.00 0.00 C ATOM 1580 CG GLN A 107 24.679 -4.454 -26.878 1.00 0.00 C ATOM 1581 CD GLN A 107 23.564 -5.222 -27.595 1.00 0.00 C ATOM 1582 OE1 GLN A 107 23.560 -5.349 -28.819 1.00 0.00 O ATOM 1583 NE2 GLN A 107 22.603 -5.774 -26.865 1.00 0.00 N ATOM 0 H GLN A 107 26.455 -2.675 -25.286 1.00 0.00 H new ATOM 0 HA GLN A 107 26.848 -2.977 -28.192 1.00 0.00 H new ATOM 0 HB2 GLN A 107 24.269 -2.342 -26.781 1.00 0.00 H new ATOM 0 HB3 GLN A 107 24.513 -2.947 -28.407 1.00 0.00 H new ATOM 0 HG2 GLN A 107 25.614 -5.002 -26.993 1.00 0.00 H new ATOM 0 HG3 GLN A 107 24.456 -4.424 -25.811 1.00 0.00 H new ATOM 0 HE21 GLN A 107 22.608 -5.668 -25.851 1.00 0.00 H new ATOM 0 HE22 GLN A 107 21.859 -6.305 -27.318 1.00 0.00 H new ATOM 1592 N SER A 108 26.085 -0.518 -28.764 1.00 0.00 N ATOM 1593 CA SER A 108 26.125 0.891 -29.145 1.00 0.00 C ATOM 1594 C SER A 108 24.996 1.694 -28.471 1.00 0.00 C ATOM 1595 O SER A 108 24.041 1.122 -27.941 1.00 0.00 O ATOM 1596 CB SER A 108 26.086 0.980 -30.680 1.00 0.00 C ATOM 1597 OG SER A 108 27.097 0.160 -31.254 1.00 0.00 O ATOM 0 H SER A 108 25.772 -1.130 -29.518 1.00 0.00 H new ATOM 0 HA SER A 108 27.051 1.346 -28.792 1.00 0.00 H new ATOM 0 HB2 SER A 108 25.107 0.668 -31.043 1.00 0.00 H new ATOM 0 HB3 SER A 108 26.227 2.014 -30.994 1.00 0.00 H new ATOM 0 HG SER A 108 27.057 0.227 -32.231 1.00 0.00 H new ATOM 1603 N LEU A 109 25.072 3.033 -28.527 1.00 0.00 N ATOM 1604 CA LEU A 109 24.122 3.947 -27.874 1.00 0.00 C ATOM 1605 C LEU A 109 22.694 3.747 -28.364 1.00 0.00 C ATOM 1606 O LEU A 109 21.762 3.974 -27.600 1.00 0.00 O ATOM 1607 CB LEU A 109 24.552 5.418 -28.062 1.00 0.00 C ATOM 1608 CG LEU A 109 25.825 5.832 -27.294 1.00 0.00 C ATOM 1609 CD1 LEU A 109 26.144 7.301 -27.595 1.00 0.00 C ATOM 1610 CD2 LEU A 109 25.692 5.644 -25.775 1.00 0.00 C ATOM 0 H LEU A 109 25.809 3.520 -29.037 1.00 0.00 H new ATOM 0 HA LEU A 109 24.138 3.707 -26.811 1.00 0.00 H new ATOM 0 HB2 LEU A 109 24.712 5.600 -29.125 1.00 0.00 H new ATOM 0 HB3 LEU A 109 23.731 6.063 -27.748 1.00 0.00 H new ATOM 0 HG LEU A 109 26.631 5.181 -27.632 1.00 0.00 H new ATOM 0 HD11 LEU A 109 27.043 7.596 -27.054 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.307 7.426 -28.665 1.00 0.00 H new ATOM 0 HD13 LEU A 109 25.309 7.927 -27.280 1.00 0.00 H new ATOM 0 HD21 LEU A 109 26.617 5.951 -25.288 1.00 0.00 H new ATOM 0 HD22 LEU A 109 24.867 6.252 -25.404 1.00 0.00 H new ATOM 0 HD23 LEU A 109 25.497 4.595 -25.554 1.00 0.00 H new ATOM 1622 N GLU A 110 22.499 3.255 -29.589 1.00 0.00 N ATOM 1623 CA GLU A 110 21.175 2.910 -30.107 1.00 0.00 C ATOM 1624 C GLU A 110 20.471 1.906 -29.194 1.00 0.00 C ATOM 1625 O GLU A 110 19.262 1.996 -29.003 1.00 0.00 O ATOM 1626 CB GLU A 110 21.258 2.377 -31.550 1.00 0.00 C ATOM 1627 CG GLU A 110 22.365 1.348 -31.821 1.00 0.00 C ATOM 1628 CD GLU A 110 22.312 0.841 -33.276 1.00 0.00 C ATOM 1629 OE1 GLU A 110 21.585 -0.142 -33.558 1.00 0.00 O ATOM 1630 OE2 GLU A 110 23.015 1.410 -34.149 1.00 0.00 O ATOM 0 H GLU A 110 23.257 3.085 -30.250 1.00 0.00 H new ATOM 0 HA GLU A 110 20.581 3.824 -30.124 1.00 0.00 H new ATOM 0 HB2 GLU A 110 20.299 1.927 -31.806 1.00 0.00 H new ATOM 0 HB3 GLU A 110 21.402 3.223 -32.222 1.00 0.00 H new ATOM 0 HG2 GLU A 110 23.339 1.797 -31.625 1.00 0.00 H new ATOM 0 HG3 GLU A 110 22.259 0.507 -31.136 1.00 0.00 H new ATOM 1637 N VAL A 111 21.212 0.984 -28.580 1.00 0.00 N ATOM 1638 CA VAL A 111 20.648 -0.058 -27.735 1.00 0.00 C ATOM 1639 C VAL A 111 20.291 0.519 -26.365 1.00 0.00 C ATOM 1640 O VAL A 111 19.198 0.255 -25.884 1.00 0.00 O ATOM 1641 CB VAL A 111 21.579 -1.280 -27.682 1.00 0.00 C ATOM 1642 CG1 VAL A 111 20.910 -2.495 -27.028 1.00 0.00 C ATOM 1643 CG2 VAL A 111 22.039 -1.674 -29.099 1.00 0.00 C ATOM 0 H VAL A 111 22.228 0.942 -28.658 1.00 0.00 H new ATOM 0 HA VAL A 111 19.716 -0.424 -28.165 1.00 0.00 H new ATOM 0 HB VAL A 111 22.436 -0.988 -27.074 1.00 0.00 H new ATOM 0 HG11 VAL A 111 21.608 -3.332 -27.015 1.00 0.00 H new ATOM 0 HG12 VAL A 111 20.623 -2.246 -26.006 1.00 0.00 H new ATOM 0 HG13 VAL A 111 20.023 -2.772 -27.597 1.00 0.00 H new ATOM 0 HG21 VAL A 111 22.697 -2.541 -29.040 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.169 -1.919 -29.709 1.00 0.00 H new ATOM 0 HG23 VAL A 111 22.576 -0.841 -29.552 1.00 0.00 H new ATOM 1653 N PHE A 112 21.137 1.362 -25.761 1.00 0.00 N ATOM 1654 CA PHE A 112 20.784 2.106 -24.538 1.00 0.00 C ATOM 1655 C PHE A 112 19.522 2.939 -24.790 1.00 0.00 C ATOM 1656 O PHE A 112 18.618 2.952 -23.962 1.00 0.00 O ATOM 1657 CB PHE A 112 21.957 3.018 -24.127 1.00 0.00 C ATOM 1658 CG PHE A 112 23.154 2.303 -23.507 1.00 0.00 C ATOM 1659 CD1 PHE A 112 23.156 1.992 -22.132 1.00 0.00 C ATOM 1660 CD2 PHE A 112 24.267 1.953 -24.297 1.00 0.00 C ATOM 1661 CE1 PHE A 112 24.245 1.304 -21.565 1.00 0.00 C ATOM 1662 CE2 PHE A 112 25.358 1.276 -23.722 1.00 0.00 C ATOM 1663 CZ PHE A 112 25.342 0.935 -22.360 1.00 0.00 C ATOM 0 H PHE A 112 22.080 1.549 -26.101 1.00 0.00 H new ATOM 0 HA PHE A 112 20.587 1.404 -23.728 1.00 0.00 H new ATOM 0 HB2 PHE A 112 22.297 3.564 -25.007 1.00 0.00 H new ATOM 0 HB3 PHE A 112 21.589 3.758 -23.416 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.320 2.282 -21.513 1.00 0.00 H new ATOM 0 HD2 PHE A 112 24.283 2.205 -25.347 1.00 0.00 H new ATOM 0 HE1 PHE A 112 24.237 1.059 -20.513 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.212 1.017 -24.331 1.00 0.00 H new ATOM 0 HZ PHE A 112 26.169 0.392 -21.926 1.00 0.00 H new ATOM 1673 N ARG A 113 19.421 3.614 -25.939 1.00 0.00 N ATOM 1674 CA ARG A 113 18.250 4.435 -26.288 1.00 0.00 C ATOM 1675 C ARG A 113 17.007 3.558 -26.477 1.00 0.00 C ATOM 1676 O ARG A 113 15.938 3.893 -25.971 1.00 0.00 O ATOM 1677 CB ARG A 113 18.573 5.259 -27.550 1.00 0.00 C ATOM 1678 CG ARG A 113 19.611 6.362 -27.272 1.00 0.00 C ATOM 1679 CD ARG A 113 20.246 6.878 -28.570 1.00 0.00 C ATOM 1680 NE ARG A 113 21.219 7.958 -28.303 1.00 0.00 N ATOM 1681 CZ ARG A 113 21.960 8.593 -29.223 1.00 0.00 C ATOM 1682 NH1 ARG A 113 21.877 8.256 -30.509 1.00 0.00 N ATOM 1683 NH2 ARG A 113 22.791 9.562 -28.848 1.00 0.00 N ATOM 0 H ARG A 113 20.147 3.609 -26.656 1.00 0.00 H new ATOM 0 HA ARG A 113 18.026 5.123 -25.473 1.00 0.00 H new ATOM 0 HB2 ARG A 113 18.949 4.596 -28.329 1.00 0.00 H new ATOM 0 HB3 ARG A 113 17.657 5.711 -27.931 1.00 0.00 H new ATOM 0 HG2 ARG A 113 19.133 7.189 -26.746 1.00 0.00 H new ATOM 0 HG3 ARG A 113 20.389 5.973 -26.615 1.00 0.00 H new ATOM 0 HD2 ARG A 113 20.744 6.056 -29.084 1.00 0.00 H new ATOM 0 HD3 ARG A 113 19.466 7.246 -29.237 1.00 0.00 H new ATOM 0 HE ARG A 113 21.338 8.246 -27.332 1.00 0.00 H new ATOM 0 HH11 ARG A 113 21.246 7.510 -30.801 1.00 0.00 H new ATOM 0 HH12 ARG A 113 22.444 8.744 -31.202 1.00 0.00 H new ATOM 0 HH21 ARG A 113 22.863 9.820 -27.864 1.00 0.00 H new ATOM 0 HH22 ARG A 113 23.356 10.047 -29.545 1.00 0.00 H new ATOM 1697 N THR A 114 17.148 2.414 -27.143 1.00 0.00 N ATOM 1698 CA THR A 114 16.076 1.470 -27.395 1.00 0.00 C ATOM 1699 C THR A 114 15.589 0.860 -26.085 1.00 0.00 C ATOM 1700 O THR A 114 14.390 0.859 -25.817 1.00 0.00 O ATOM 1701 CB THR A 114 16.648 0.430 -28.372 1.00 0.00 C ATOM 1702 OG1 THR A 114 16.714 0.975 -29.679 1.00 0.00 O ATOM 1703 CG2 THR A 114 15.901 -0.896 -28.416 1.00 0.00 C ATOM 0 H THR A 114 18.042 2.115 -27.532 1.00 0.00 H new ATOM 0 HA THR A 114 15.198 1.942 -27.836 1.00 0.00 H new ATOM 0 HB THR A 114 17.642 0.199 -27.988 1.00 0.00 H new ATOM 0 HG1 THR A 114 17.563 1.450 -29.793 1.00 0.00 H new ATOM 0 HG21 THR A 114 16.381 -1.561 -29.134 1.00 0.00 H new ATOM 0 HG22 THR A 114 15.918 -1.356 -27.428 1.00 0.00 H new ATOM 0 HG23 THR A 114 14.868 -0.722 -28.718 1.00 0.00 H new ATOM 1711 N VAL A 115 16.492 0.361 -25.241 1.00 0.00 N ATOM 1712 CA VAL A 115 16.107 -0.434 -24.084 1.00 0.00 C ATOM 1713 C VAL A 115 15.430 0.438 -23.037 1.00 0.00 C ATOM 1714 O VAL A 115 14.498 -0.046 -22.406 1.00 0.00 O ATOM 1715 CB VAL A 115 17.298 -1.293 -23.596 1.00 0.00 C ATOM 1716 CG1 VAL A 115 16.990 -2.045 -22.294 1.00 0.00 C ATOM 1717 CG2 VAL A 115 17.632 -2.355 -24.657 1.00 0.00 C ATOM 0 H VAL A 115 17.498 0.496 -25.341 1.00 0.00 H new ATOM 0 HA VAL A 115 15.344 -1.164 -24.354 1.00 0.00 H new ATOM 0 HB VAL A 115 18.126 -0.605 -23.423 1.00 0.00 H new ATOM 0 HG11 VAL A 115 17.860 -2.631 -21.998 1.00 0.00 H new ATOM 0 HG12 VAL A 115 16.751 -1.329 -21.508 1.00 0.00 H new ATOM 0 HG13 VAL A 115 16.140 -2.710 -22.450 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.471 -2.961 -24.314 1.00 0.00 H new ATOM 0 HG22 VAL A 115 16.764 -2.995 -24.817 1.00 0.00 H new ATOM 0 HG23 VAL A 115 17.898 -1.863 -25.593 1.00 0.00 H new ATOM 1727 N ARG A 116 15.768 1.727 -22.914 1.00 0.00 N ATOM 1728 CA ARG A 116 14.975 2.611 -22.055 1.00 0.00 C ATOM 1729 C ARG A 116 13.524 2.640 -22.540 1.00 0.00 C ATOM 1730 O ARG A 116 12.632 2.444 -21.726 1.00 0.00 O ATOM 1731 CB ARG A 116 15.578 4.029 -21.956 1.00 0.00 C ATOM 1732 CG ARG A 116 16.917 4.017 -21.203 1.00 0.00 C ATOM 1733 CD ARG A 116 17.419 5.401 -20.762 1.00 0.00 C ATOM 1734 NE ARG A 116 17.254 6.478 -21.770 1.00 0.00 N ATOM 1735 CZ ARG A 116 18.097 6.834 -22.748 1.00 0.00 C ATOM 1736 NH1 ARG A 116 19.087 6.028 -23.114 1.00 0.00 N ATOM 1737 NH2 ARG A 116 17.945 8.003 -23.361 1.00 0.00 N ATOM 0 H ARG A 116 16.559 2.170 -23.382 1.00 0.00 H new ATOM 0 HA ARG A 116 14.995 2.208 -21.043 1.00 0.00 H new ATOM 0 HB2 ARG A 116 15.725 4.434 -22.957 1.00 0.00 H new ATOM 0 HB3 ARG A 116 14.877 4.689 -21.445 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.817 3.384 -20.321 1.00 0.00 H new ATOM 0 HG3 ARG A 116 17.673 3.558 -21.840 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.891 5.690 -19.854 1.00 0.00 H new ATOM 0 HD3 ARG A 116 18.475 5.323 -20.505 1.00 0.00 H new ATOM 0 HE ARG A 116 16.389 7.015 -21.710 1.00 0.00 H new ATOM 0 HH11 ARG A 116 19.211 5.129 -22.649 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.724 6.308 -23.860 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.187 8.628 -23.087 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.586 8.275 -24.106 1.00 0.00 H new ATOM 1751 N GLY A 117 13.282 2.774 -23.845 1.00 0.00 N ATOM 1752 CA GLY A 117 11.936 2.773 -24.418 1.00 0.00 C ATOM 1753 C GLY A 117 11.210 1.450 -24.178 1.00 0.00 C ATOM 1754 O GLY A 117 10.105 1.452 -23.632 1.00 0.00 O ATOM 0 H GLY A 117 14.021 2.887 -24.539 1.00 0.00 H new ATOM 0 HA2 GLY A 117 11.357 3.588 -23.983 1.00 0.00 H new ATOM 0 HA3 GLY A 117 11.999 2.963 -25.490 1.00 0.00 H new ATOM 1758 N GLN A 118 11.840 0.316 -24.521 1.00 0.00 N ATOM 1759 CA GLN A 118 11.232 -1.011 -24.360 1.00 0.00 C ATOM 1760 C GLN A 118 10.872 -1.267 -22.903 1.00 0.00 C ATOM 1761 O GLN A 118 9.773 -1.724 -22.590 1.00 0.00 O ATOM 1762 CB GLN A 118 12.141 -2.134 -24.876 1.00 0.00 C ATOM 1763 CG GLN A 118 12.547 -1.968 -26.347 1.00 0.00 C ATOM 1764 CD GLN A 118 12.997 -3.278 -26.994 1.00 0.00 C ATOM 1765 OE1 GLN A 118 12.590 -3.605 -28.107 1.00 0.00 O ATOM 1766 NE2 GLN A 118 13.857 -4.040 -26.333 1.00 0.00 N ATOM 0 H GLN A 118 12.780 0.294 -24.916 1.00 0.00 H new ATOM 0 HA GLN A 118 10.324 -1.015 -24.963 1.00 0.00 H new ATOM 0 HB2 GLN A 118 13.040 -2.173 -24.262 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.630 -3.089 -24.754 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.704 -1.563 -26.907 1.00 0.00 H new ATOM 0 HG3 GLN A 118 13.355 -1.239 -26.415 1.00 0.00 H new ATOM 0 HE21 GLN A 118 14.186 -3.756 -25.410 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.190 -4.911 -26.747 1.00 0.00 H new ATOM 1775 N VAL A 119 11.800 -0.945 -22.007 1.00 0.00 N ATOM 1776 CA VAL A 119 11.604 -1.177 -20.587 1.00 0.00 C ATOM 1777 C VAL A 119 10.487 -0.263 -20.077 1.00 0.00 C ATOM 1778 O VAL A 119 9.584 -0.746 -19.399 1.00 0.00 O ATOM 1779 CB VAL A 119 12.927 -0.977 -19.833 1.00 0.00 C ATOM 1780 CG1 VAL A 119 12.715 -0.964 -18.320 1.00 0.00 C ATOM 1781 CG2 VAL A 119 13.902 -2.116 -20.162 1.00 0.00 C ATOM 0 H VAL A 119 12.697 -0.521 -22.244 1.00 0.00 H new ATOM 0 HA VAL A 119 11.294 -2.207 -20.408 1.00 0.00 H new ATOM 0 HB VAL A 119 13.333 -0.016 -20.150 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.673 -0.821 -17.820 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.041 -0.150 -18.054 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.280 -1.913 -18.005 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.836 -1.963 -19.621 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.463 -3.068 -19.865 1.00 0.00 H new ATOM 0 HG23 VAL A 119 14.101 -2.127 -21.234 1.00 0.00 H new ATOM 1791 N LYS A 120 10.514 1.030 -20.418 1.00 0.00 N ATOM 1792 CA LYS A 120 9.535 1.997 -19.924 1.00 0.00 C ATOM 1793 C LYS A 120 8.135 1.508 -20.262 1.00 0.00 C ATOM 1794 O LYS A 120 7.274 1.513 -19.392 1.00 0.00 O ATOM 1795 CB LYS A 120 9.768 3.365 -20.584 1.00 0.00 C ATOM 1796 CG LYS A 120 8.947 4.475 -19.919 1.00 0.00 C ATOM 1797 CD LYS A 120 9.193 5.819 -20.621 1.00 0.00 C ATOM 1798 CE LYS A 120 8.337 6.928 -19.985 1.00 0.00 C ATOM 1799 NZ LYS A 120 8.483 8.233 -20.689 1.00 0.00 N ATOM 0 H LYS A 120 11.214 1.432 -21.042 1.00 0.00 H new ATOM 0 HA LYS A 120 9.643 2.098 -18.844 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.827 3.617 -20.530 1.00 0.00 H new ATOM 0 HB3 LYS A 120 9.507 3.306 -21.641 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.887 4.225 -19.959 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.216 4.553 -18.866 1.00 0.00 H new ATOM 0 HD2 LYS A 120 10.248 6.083 -20.553 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.954 5.731 -21.681 1.00 0.00 H new ATOM 0 HE2 LYS A 120 7.290 6.627 -19.998 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.622 7.048 -18.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 7.887 8.947 -20.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 9.477 8.536 -20.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 8.186 8.128 -21.680 1.00 0.00 H new ATOM 1813 N GLU A 121 7.929 1.053 -21.494 1.00 0.00 N ATOM 1814 CA GLU A 121 6.628 0.630 -21.976 1.00 0.00 C ATOM 1815 C GLU A 121 6.116 -0.575 -21.174 1.00 0.00 C ATOM 1816 O GLU A 121 4.964 -0.580 -20.731 1.00 0.00 O ATOM 1817 CB GLU A 121 6.800 0.329 -23.469 1.00 0.00 C ATOM 1818 CG GLU A 121 5.507 -0.084 -24.178 1.00 0.00 C ATOM 1819 CD GLU A 121 4.502 1.080 -24.291 1.00 0.00 C ATOM 1820 OE1 GLU A 121 4.665 1.938 -25.194 1.00 0.00 O ATOM 1821 OE2 GLU A 121 3.533 1.133 -23.499 1.00 0.00 O ATOM 0 H GLU A 121 8.671 0.969 -22.189 1.00 0.00 H new ATOM 0 HA GLU A 121 5.871 1.403 -21.842 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.206 1.212 -23.962 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.535 -0.467 -23.586 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.745 -0.454 -25.176 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.045 -0.908 -23.635 1.00 0.00 H new ATOM 1828 N ARG A 122 6.970 -1.573 -20.906 1.00 0.00 N ATOM 1829 CA ARG A 122 6.548 -2.742 -20.125 1.00 0.00 C ATOM 1830 C ARG A 122 6.279 -2.362 -18.674 1.00 0.00 C ATOM 1831 O ARG A 122 5.272 -2.783 -18.104 1.00 0.00 O ATOM 1832 CB ARG A 122 7.547 -3.900 -20.248 1.00 0.00 C ATOM 1833 CG ARG A 122 7.618 -4.419 -21.697 1.00 0.00 C ATOM 1834 CD ARG A 122 7.924 -5.915 -21.726 1.00 0.00 C ATOM 1835 NE ARG A 122 8.167 -6.381 -23.106 1.00 0.00 N ATOM 1836 CZ ARG A 122 7.257 -6.850 -23.974 1.00 0.00 C ATOM 1837 NH1 ARG A 122 5.980 -6.975 -23.622 1.00 0.00 N ATOM 1838 NH2 ARG A 122 7.632 -7.189 -25.204 1.00 0.00 N ATOM 0 H ARG A 122 7.942 -1.595 -21.213 1.00 0.00 H new ATOM 0 HA ARG A 122 5.608 -3.101 -20.544 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.535 -3.568 -19.928 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.252 -4.711 -19.582 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.672 -4.228 -22.203 1.00 0.00 H new ATOM 0 HG3 ARG A 122 8.388 -3.876 -22.245 1.00 0.00 H new ATOM 0 HD2 ARG A 122 8.799 -6.123 -21.109 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.090 -6.468 -21.293 1.00 0.00 H new ATOM 0 HE ARG A 122 9.132 -6.342 -23.435 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.682 -6.713 -22.682 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.299 -7.333 -24.292 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.608 -7.092 -25.485 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.944 -7.546 -25.867 1.00 0.00 H new ATOM 1852 N VAL A 123 7.145 -1.545 -18.083 1.00 0.00 N ATOM 1853 CA VAL A 123 6.972 -1.083 -16.708 1.00 0.00 C ATOM 1854 C VAL A 123 5.701 -0.223 -16.601 1.00 0.00 C ATOM 1855 O VAL A 123 4.955 -0.375 -15.636 1.00 0.00 O ATOM 1856 CB VAL A 123 8.261 -0.388 -16.238 1.00 0.00 C ATOM 1857 CG1 VAL A 123 8.135 0.217 -14.837 1.00 0.00 C ATOM 1858 CG2 VAL A 123 9.469 -1.346 -16.193 1.00 0.00 C ATOM 0 H VAL A 123 7.983 -1.185 -18.540 1.00 0.00 H new ATOM 0 HA VAL A 123 6.815 -1.919 -16.027 1.00 0.00 H new ATOM 0 HB VAL A 123 8.420 0.397 -16.977 1.00 0.00 H new ATOM 0 HG11 VAL A 123 9.076 0.693 -14.560 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.337 0.959 -14.832 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.903 -0.571 -14.120 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.352 -0.803 -15.855 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.259 -2.164 -15.503 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.651 -1.749 -17.189 1.00 0.00 H new ATOM 1868 N GLU A 124 5.384 0.625 -17.583 1.00 0.00 N ATOM 1869 CA GLU A 124 4.152 1.406 -17.584 1.00 0.00 C ATOM 1870 C GLU A 124 2.943 0.480 -17.605 1.00 0.00 C ATOM 1871 O GLU A 124 2.012 0.688 -16.834 1.00 0.00 O ATOM 1872 CB GLU A 124 4.070 2.359 -18.794 1.00 0.00 C ATOM 1873 CG GLU A 124 4.811 3.684 -18.602 1.00 0.00 C ATOM 1874 CD GLU A 124 4.520 4.650 -19.765 1.00 0.00 C ATOM 1875 OE1 GLU A 124 5.226 4.603 -20.801 1.00 0.00 O ATOM 1876 OE2 GLU A 124 3.585 5.478 -19.641 1.00 0.00 O ATOM 0 H GLU A 124 5.976 0.787 -18.398 1.00 0.00 H new ATOM 0 HA GLU A 124 4.155 2.006 -16.674 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.476 1.852 -19.669 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.022 2.570 -19.006 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.508 4.141 -17.660 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.883 3.499 -18.537 1.00 0.00 H new ATOM 1883 N ASN A 125 2.965 -0.552 -18.449 1.00 0.00 N ATOM 1884 CA ASN A 125 1.848 -1.482 -18.595 1.00 0.00 C ATOM 1885 C ASN A 125 1.588 -2.238 -17.290 1.00 0.00 C ATOM 1886 O ASN A 125 0.436 -2.376 -16.875 1.00 0.00 O ATOM 1887 CB ASN A 125 2.118 -2.467 -19.741 1.00 0.00 C ATOM 1888 CG ASN A 125 0.949 -3.434 -19.919 1.00 0.00 C ATOM 1889 OD1 ASN A 125 1.006 -4.575 -19.475 1.00 0.00 O ATOM 1890 ND2 ASN A 125 -0.133 -2.998 -20.545 1.00 0.00 N ATOM 0 H ASN A 125 3.760 -0.766 -19.051 1.00 0.00 H new ATOM 0 HA ASN A 125 0.955 -0.904 -18.834 1.00 0.00 H new ATOM 0 HB2 ASN A 125 2.283 -1.916 -20.667 1.00 0.00 H new ATOM 0 HB3 ASN A 125 3.030 -3.027 -19.536 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.937 -3.615 -20.664 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.163 -2.045 -20.908 1.00 0.00 H new ATOM 1897 N LEU A 126 2.653 -2.677 -16.616 1.00 0.00 N ATOM 1898 CA LEU A 126 2.615 -3.304 -15.308 1.00 0.00 C ATOM 1899 C LEU A 126 1.963 -2.375 -14.280 1.00 0.00 C ATOM 1900 O LEU A 126 1.067 -2.787 -13.552 1.00 0.00 O ATOM 1901 CB LEU A 126 4.070 -3.620 -14.926 1.00 0.00 C ATOM 1902 CG LEU A 126 4.271 -4.000 -13.453 1.00 0.00 C ATOM 1903 CD1 LEU A 126 3.495 -5.272 -13.126 1.00 0.00 C ATOM 1904 CD2 LEU A 126 5.765 -4.180 -13.201 1.00 0.00 C ATOM 0 H LEU A 126 3.600 -2.599 -16.988 1.00 0.00 H new ATOM 0 HA LEU A 126 2.017 -4.215 -15.328 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.427 -4.438 -15.552 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.689 -2.752 -15.152 1.00 0.00 H new ATOM 0 HG LEU A 126 3.891 -3.212 -12.803 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.646 -5.531 -12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.433 -5.108 -13.310 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.851 -6.087 -13.756 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.928 -4.451 -12.158 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.150 -4.970 -13.845 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.286 -3.248 -13.420 1.00 0.00 H new ATOM 1916 N ILE A 127 2.399 -1.120 -14.212 1.00 0.00 N ATOM 1917 CA ILE A 127 1.907 -0.153 -13.237 1.00 0.00 C ATOM 1918 C ILE A 127 0.439 0.136 -13.552 1.00 0.00 C ATOM 1919 O ILE A 127 -0.386 0.115 -12.647 1.00 0.00 O ATOM 1920 CB ILE A 127 2.832 1.073 -13.312 1.00 0.00 C ATOM 1921 CG1 ILE A 127 4.196 0.650 -12.726 1.00 0.00 C ATOM 1922 CG2 ILE A 127 2.262 2.273 -12.547 1.00 0.00 C ATOM 1923 CD1 ILE A 127 5.283 1.687 -12.959 1.00 0.00 C ATOM 0 H ILE A 127 3.110 -0.743 -14.838 1.00 0.00 H new ATOM 0 HA ILE A 127 1.931 -0.513 -12.209 1.00 0.00 H new ATOM 0 HB ILE A 127 2.932 1.395 -14.348 1.00 0.00 H new ATOM 0 HG12 ILE A 127 4.089 0.477 -11.655 1.00 0.00 H new ATOM 0 HG13 ILE A 127 4.501 -0.296 -13.173 1.00 0.00 H new ATOM 0 HG21 ILE A 127 2.949 3.115 -12.628 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.297 2.550 -12.971 1.00 0.00 H new ATOM 0 HG23 ILE A 127 2.134 2.008 -11.497 1.00 0.00 H new ATOM 0 HD11 ILE A 127 6.220 1.336 -12.526 1.00 0.00 H new ATOM 0 HD12 ILE A 127 5.414 1.842 -14.030 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.996 2.627 -12.489 1.00 0.00 H new ATOM 1935 N ALA A 128 0.098 0.328 -14.828 1.00 0.00 N ATOM 1936 CA ALA A 128 -1.263 0.621 -15.254 1.00 0.00 C ATOM 1937 C ALA A 128 -2.246 -0.489 -14.852 1.00 0.00 C ATOM 1938 O ALA A 128 -3.408 -0.182 -14.569 1.00 0.00 O ATOM 1939 CB ALA A 128 -1.283 0.839 -16.770 1.00 0.00 C ATOM 0 H ALA A 128 0.767 0.283 -15.597 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.591 1.529 -14.748 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.301 1.059 -17.093 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.633 1.675 -17.026 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.930 -0.062 -17.272 1.00 0.00 H new ATOM 1945 N LYS A 129 -1.816 -1.762 -14.819 1.00 0.00 N ATOM 1946 CA LYS A 129 -2.687 -2.852 -14.390 1.00 0.00 C ATOM 1947 C LYS A 129 -2.774 -2.961 -12.866 1.00 0.00 C ATOM 1948 O LYS A 129 -3.868 -3.241 -12.368 1.00 0.00 O ATOM 1949 CB LYS A 129 -2.392 -4.176 -15.122 1.00 0.00 C ATOM 1950 CG LYS A 129 -1.019 -4.789 -14.824 1.00 0.00 C ATOM 1951 CD LYS A 129 -0.709 -6.079 -15.596 1.00 0.00 C ATOM 1952 CE LYS A 129 -0.573 -5.843 -17.108 1.00 0.00 C ATOM 1953 NZ LYS A 129 -0.089 -7.053 -17.824 1.00 0.00 N ATOM 0 H LYS A 129 -0.875 -2.053 -15.084 1.00 0.00 H new ATOM 0 HA LYS A 129 -3.699 -2.598 -14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -3.162 -4.900 -14.856 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -2.472 -4.006 -16.196 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -0.250 -4.051 -15.053 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.953 -4.997 -13.756 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.215 -6.513 -15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -1.501 -6.806 -15.415 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -1.539 -5.544 -17.516 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.117 -5.018 -17.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 0.052 -6.828 -18.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 0.812 -7.365 -17.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -0.793 -7.814 -17.735 1.00 0.00 H new ATOM 1967 N ILE A 130 -1.686 -2.739 -12.116 1.00 0.00 N ATOM 1968 CA ILE A 130 -1.707 -2.935 -10.672 1.00 0.00 C ATOM 1969 C ILE A 130 -2.227 -1.728 -9.886 1.00 0.00 C ATOM 1970 O ILE A 130 -2.841 -1.915 -8.830 1.00 0.00 O ATOM 1971 CB ILE A 130 -0.349 -3.425 -10.146 1.00 0.00 C ATOM 1972 CG1 ILE A 130 0.734 -2.336 -10.221 1.00 0.00 C ATOM 1973 CG2 ILE A 130 0.059 -4.732 -10.846 1.00 0.00 C ATOM 1974 CD1 ILE A 130 2.134 -2.790 -9.817 1.00 0.00 C ATOM 0 H ILE A 130 -0.789 -2.426 -12.488 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.437 -3.724 -10.495 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.457 -3.647 -9.084 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.773 -1.953 -11.241 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.438 -1.506 -9.580 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.023 -5.065 -10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.692 -5.498 -10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.136 -4.561 -11.920 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.827 -1.953 -9.903 1.00 0.00 H new ATOM 0 HD12 ILE A 130 2.118 -3.144 -8.786 1.00 0.00 H new ATOM 0 HD13 ILE A 130 2.458 -3.598 -10.473 1.00 0.00 H new ATOM 1986 N SER A 131 -1.955 -0.511 -10.351 1.00 0.00 N ATOM 1987 CA SER A 131 -2.182 0.726 -9.640 1.00 0.00 C ATOM 1988 C SER A 131 -3.438 1.404 -10.186 1.00 0.00 C ATOM 1989 O SER A 131 -4.464 1.407 -9.469 1.00 0.00 O ATOM 1990 CB SER A 131 -0.932 1.603 -9.713 1.00 0.00 C ATOM 1991 OG SER A 131 0.125 0.951 -9.017 1.00 0.00 O ATOM 1992 OXT SER A 131 -3.414 1.912 -11.331 1.00 0.00 O ATOM 0 H SER A 131 -1.552 -0.363 -11.276 1.00 0.00 H new ATOM 0 HA SER A 131 -2.362 0.536 -8.582 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.651 1.774 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.129 2.580 -9.271 1.00 0.00 H new ATOM 0 HG SER A 131 0.933 1.503 -9.058 1.00 0.00 H new TER 1998 SER A 131