USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 992 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= 1.53 K(o=2.5,f=-2.3) USER MOD Set 1.2: A 129 LYS NZ :NH3+ -160:sc= 1 (180deg=0) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.314 USER MOD Set 2.2: A 80 CYS SG : rot 97:sc= -0.197 USER MOD Set 3.1: A 5 MET CE :methyl 167:sc= -0.358 (180deg=-1.02) USER MOD Set 3.2: A 35 CYS SG : rot -97:sc= 0.572 USER MOD Set 3.3: A 69 ASN : amide:sc= 0.511 K(o=0.9,f=-0.3) USER MOD Set 3.4: A 73 TYR OH : rot 30:sc= 0.171 USER MOD Set 4.1: A 43 HIS : no HD1:sc= 0.315 K(o=0.32,f=-2.7) USER MOD Set 4.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 11 ASN : amide:sc= -0.0855 K(o=0.56,f=-3.7!) USER MOD Set 5.2: A 15 SER OG : rot 70:sc= 0.223 USER MOD Set 5.3: A 34 SER OG : rot 177:sc= 0.426 USER MOD Set 6.1: A 16 GLN : amide:sc= 1.58 K(o=5.1,f=-5.1!) USER MOD Set 6.2: A 23 LYS NZ :NH3+ 163:sc= 1.85 (180deg=1.18) USER MOD Set 6.3: A 60 GLN : amide:sc= 1.65 K(o=5.1,f=-3!) USER MOD Set 7.1: A 12 SER OG : rot 160:sc= 0.266 USER MOD Set 7.2: A 13 CYS SG : rot -64:sc= 0.362 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.23 (180deg=0.8) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.18) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= 0.902 (180deg=0.594) USER MOD Single : A 8 CYS SG : rot 58:sc= 0.498 USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.16) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 91:sc= 0.833 USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0.922 (180deg=0.861) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 44:sc= 0.678 USER MOD Single : A 49 MET CE :methyl 175:sc= -0.91 (180deg=-1.04) USER MOD Single : A 50 MET CE :methyl -139:sc= -0.137 (180deg=-2.45) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -81:sc= 0.679 USER MOD Single : A 67 ASN : amide:sc= 0.646 K(o=0.65,f=-0.17) USER MOD Single : A 82 CYS SG : rot 180:sc= 0.0622 USER MOD Single : A 85 ASN : amide:sc= -0.0274 X(o=-0.027,f=-0.027) USER MOD Single : A 92 THR OG1 : rot -35:sc= 0.183 USER MOD Single : A 93 GLN : amide:sc= 1.01 K(o=1,f=-0.18) USER MOD Single : A 100 GLN : amide:sc= 1.19 K(o=1.2,f=-0.43) USER MOD Single : A 107 GLN : amide:sc= 0.346 K(o=0.35,f=-0.72) USER MOD Single : A 108 SER OG : rot 180:sc=-0.00258 USER MOD Single : A 114 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= 0.922 K(o=0.92,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 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.938 -0.276 1.345 1.00 0.00 N ATOM 2 CA MET A 1 2.465 0.002 -0.019 1.00 0.00 C ATOM 3 C MET A 1 2.447 1.502 -0.327 1.00 0.00 C ATOM 4 O MET A 1 1.396 2.132 -0.238 1.00 0.00 O ATOM 5 CB MET A 1 1.736 -0.807 -1.123 1.00 0.00 C ATOM 6 CG MET A 1 2.285 -0.504 -2.530 1.00 0.00 C ATOM 7 SD MET A 1 1.618 -1.491 -3.897 1.00 0.00 S ATOM 8 CE MET A 1 2.528 -3.042 -3.664 1.00 0.00 C ATOM 0 H1 MET A 1 1.476 -1.207 1.355 1.00 0.00 H new ATOM 0 H2 MET A 1 2.722 -0.271 2.028 1.00 0.00 H new ATOM 0 H3 MET A 1 1.247 0.456 1.606 1.00 0.00 H new ATOM 0 HA MET A 1 3.502 -0.334 -0.023 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.839 -1.872 -0.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.671 -0.578 -1.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.099 0.548 -2.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.366 -0.639 -2.509 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.229 -3.758 -4.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.598 -2.851 -3.743 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.304 -3.451 -2.679 1.00 0.00 H new ATOM 18 N LYS A 2 3.593 2.058 -0.751 1.00 0.00 N ATOM 19 CA LYS A 2 3.743 3.422 -1.309 1.00 0.00 C ATOM 20 C LYS A 2 4.512 3.388 -2.639 1.00 0.00 C ATOM 21 O LYS A 2 5.073 2.354 -3.004 1.00 0.00 O ATOM 22 CB LYS A 2 4.401 4.350 -0.268 1.00 0.00 C ATOM 23 CG LYS A 2 3.491 4.571 0.952 1.00 0.00 C ATOM 24 CD LYS A 2 4.066 5.596 1.940 1.00 0.00 C ATOM 25 CE LYS A 2 3.062 5.830 3.080 1.00 0.00 C ATOM 26 NZ LYS A 2 3.537 6.879 4.024 1.00 0.00 N ATOM 0 H LYS A 2 4.479 1.554 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 2 2.757 3.829 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.348 3.919 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.630 5.310 -0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.511 4.908 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.341 3.621 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.013 5.236 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.274 6.535 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.099 6.125 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.902 4.898 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.915 6.904 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.509 6.662 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.520 7.805 3.551 1.00 0.00 H new ATOM 40 N LYS A 3 4.506 4.495 -3.387 1.00 0.00 N ATOM 41 CA LYS A 3 5.082 4.604 -4.742 1.00 0.00 C ATOM 42 C LYS A 3 6.365 5.431 -4.729 1.00 0.00 C ATOM 43 O LYS A 3 6.431 6.469 -4.075 1.00 0.00 O ATOM 44 CB LYS A 3 4.056 5.155 -5.761 1.00 0.00 C ATOM 45 CG LYS A 3 2.798 4.282 -5.959 1.00 0.00 C ATOM 46 CD LYS A 3 1.668 4.433 -4.921 1.00 0.00 C ATOM 47 CE LYS A 3 1.116 5.863 -4.894 1.00 0.00 C ATOM 48 NZ LYS A 3 0.347 6.153 -3.653 1.00 0.00 N ATOM 0 H LYS A 3 4.090 5.368 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 3 5.342 3.597 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.743 6.148 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.552 5.275 -6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.385 4.502 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.109 3.238 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.863 3.736 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.043 4.168 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.942 6.570 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.473 6.017 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.198 7.029 -3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.303 5.366 -3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.005 6.267 -2.856 1.00 0.00 H new ATOM 62 N VAL A 4 7.366 4.990 -5.487 1.00 0.00 N ATOM 63 CA VAL A 4 8.669 5.677 -5.642 1.00 0.00 C ATOM 64 C VAL A 4 8.933 5.955 -7.123 1.00 0.00 C ATOM 65 O VAL A 4 8.654 5.120 -7.978 1.00 0.00 O ATOM 66 CB VAL A 4 9.838 4.925 -4.966 1.00 0.00 C ATOM 67 CG1 VAL A 4 11.107 5.783 -4.931 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.508 4.481 -3.533 1.00 0.00 C ATOM 0 H VAL A 4 7.304 4.127 -6.027 1.00 0.00 H new ATOM 0 HA VAL A 4 8.608 6.629 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 4 10.006 4.036 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.910 5.225 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.402 6.038 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.913 6.697 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.365 3.958 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.278 5.356 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.647 3.813 -3.548 1.00 0.00 H new ATOM 78 N MET A 5 9.477 7.129 -7.436 1.00 0.00 N ATOM 79 CA MET A 5 9.776 7.551 -8.806 1.00 0.00 C ATOM 80 C MET A 5 11.181 8.135 -8.885 1.00 0.00 C ATOM 81 O MET A 5 11.570 8.953 -8.053 1.00 0.00 O ATOM 82 CB MET A 5 8.693 8.525 -9.292 1.00 0.00 C ATOM 83 CG MET A 5 9.024 9.244 -10.604 1.00 0.00 C ATOM 84 SD MET A 5 9.322 8.203 -12.057 1.00 0.00 S ATOM 85 CE MET A 5 7.942 8.714 -13.111 1.00 0.00 C ATOM 0 H MET A 5 9.727 7.826 -6.735 1.00 0.00 H new ATOM 0 HA MET A 5 9.761 6.691 -9.475 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.760 7.976 -9.419 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.520 9.272 -8.517 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.203 9.922 -10.835 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.909 9.859 -10.440 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.103 8.347 -14.125 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.012 8.301 -12.719 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.879 9.802 -13.125 1.00 0.00 H new ATOM 95 N PHE A 6 11.931 7.714 -9.896 1.00 0.00 N ATOM 96 CA PHE A 6 13.336 8.085 -10.089 1.00 0.00 C ATOM 97 C PHE A 6 13.487 9.061 -11.262 1.00 0.00 C ATOM 98 O PHE A 6 12.988 8.789 -12.347 1.00 0.00 O ATOM 99 CB PHE A 6 14.170 6.802 -10.278 1.00 0.00 C ATOM 100 CG PHE A 6 13.933 5.750 -9.209 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.486 5.896 -7.924 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.110 4.650 -9.493 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.171 4.979 -6.906 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.784 3.737 -8.470 1.00 0.00 C ATOM 105 CZ PHE A 6 13.299 3.912 -7.174 1.00 0.00 C ATOM 0 H PHE A 6 11.576 7.092 -10.622 1.00 0.00 H new ATOM 0 HA PHE A 6 13.708 8.608 -9.208 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.941 6.372 -11.253 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.228 7.066 -10.286 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.156 6.717 -7.718 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.727 4.503 -10.492 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.598 5.095 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.136 2.900 -8.683 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.024 3.227 -6.386 1.00 0.00 H new ATOM 115 N VAL A 7 14.207 10.165 -11.063 1.00 0.00 N ATOM 116 CA VAL A 7 14.602 11.159 -12.078 1.00 0.00 C ATOM 117 C VAL A 7 16.110 11.072 -12.316 1.00 0.00 C ATOM 118 O VAL A 7 16.885 11.146 -11.371 1.00 0.00 O ATOM 119 CB VAL A 7 14.137 12.585 -11.675 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.008 13.717 -12.242 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.721 12.838 -12.192 1.00 0.00 C ATOM 0 H VAL A 7 14.554 10.410 -10.136 1.00 0.00 H new ATOM 0 HA VAL A 7 14.103 10.936 -13.021 1.00 0.00 H new ATOM 0 HB VAL A 7 14.205 12.603 -10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.614 14.679 -11.913 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.031 13.602 -11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 7 14.997 13.674 -13.331 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.403 13.840 -11.905 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.709 12.751 -13.278 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.040 12.104 -11.762 1.00 0.00 H new ATOM 131 N CYS A 8 16.548 10.962 -13.572 1.00 0.00 N ATOM 132 CA CYS A 8 17.964 11.066 -13.965 1.00 0.00 C ATOM 133 C CYS A 8 18.135 12.056 -15.139 1.00 0.00 C ATOM 134 O CYS A 8 17.148 12.445 -15.754 1.00 0.00 O ATOM 135 CB CYS A 8 18.459 9.628 -14.220 1.00 0.00 C ATOM 136 SG CYS A 8 20.262 9.544 -14.444 1.00 0.00 S ATOM 0 H CYS A 8 15.923 10.796 -14.361 1.00 0.00 H new ATOM 0 HA CYS A 8 18.592 11.496 -13.184 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.170 8.993 -13.382 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.967 9.229 -15.107 1.00 0.00 H new ATOM 0 HG CYS A 8 20.853 10.025 -13.391 1.00 0.00 H new ATOM 142 N LYS A 9 19.371 12.467 -15.477 1.00 0.00 N ATOM 143 CA LYS A 9 19.626 13.578 -16.437 1.00 0.00 C ATOM 144 C LYS A 9 19.269 13.248 -17.895 1.00 0.00 C ATOM 145 O LYS A 9 18.885 14.143 -18.626 1.00 0.00 O ATOM 146 CB LYS A 9 21.077 14.102 -16.268 1.00 0.00 C ATOM 147 CG LYS A 9 21.210 15.640 -16.211 1.00 0.00 C ATOM 148 CD LYS A 9 20.810 16.444 -17.463 1.00 0.00 C ATOM 149 CE LYS A 9 21.618 16.068 -18.719 1.00 0.00 C ATOM 150 NZ LYS A 9 21.375 17.026 -19.837 1.00 0.00 N ATOM 0 H LYS A 9 20.221 12.048 -15.100 1.00 0.00 H new ATOM 0 HA LYS A 9 18.938 14.384 -16.184 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.496 13.681 -15.354 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.681 13.730 -17.096 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.606 15.997 -15.377 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.248 15.878 -15.978 1.00 0.00 H new ATOM 0 HD2 LYS A 9 19.750 16.287 -17.662 1.00 0.00 H new ATOM 0 HD3 LYS A 9 20.942 17.507 -17.260 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.681 16.052 -18.477 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.349 15.061 -19.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.033 16.824 -20.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 20.397 16.925 -20.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.526 17.998 -19.500 1.00 0.00 H new ATOM 164 N ARG A 10 19.368 11.976 -18.311 1.00 0.00 N ATOM 165 CA ARG A 10 18.850 11.482 -19.626 1.00 0.00 C ATOM 166 C ARG A 10 18.078 10.152 -19.586 1.00 0.00 C ATOM 167 O ARG A 10 17.876 9.511 -20.607 1.00 0.00 O ATOM 168 CB ARG A 10 19.920 11.615 -20.743 1.00 0.00 C ATOM 169 CG ARG A 10 21.088 10.615 -20.799 1.00 0.00 C ATOM 170 CD ARG A 10 22.041 10.671 -19.597 1.00 0.00 C ATOM 171 NE ARG A 10 23.340 10.015 -19.881 1.00 0.00 N ATOM 172 CZ ARG A 10 24.380 9.959 -19.062 1.00 0.00 C ATOM 173 NH1 ARG A 10 24.325 10.420 -17.846 1.00 0.00 N ATOM 174 NH2 ARG A 10 25.508 9.440 -19.426 1.00 0.00 N ATOM 0 H ARG A 10 19.810 11.246 -17.752 1.00 0.00 H new ATOM 0 HA ARG A 10 18.044 12.160 -19.905 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.401 11.564 -21.700 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.349 12.614 -20.666 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.681 9.607 -20.876 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.661 10.798 -21.708 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.214 11.711 -19.321 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.571 10.188 -18.740 1.00 0.00 H new ATOM 0 HE ARG A 10 23.442 9.565 -20.791 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.463 10.840 -17.498 1.00 0.00 H new ATOM 0 HH12 ARG A 10 25.144 10.361 -17.241 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.614 9.059 -20.366 1.00 0.00 H new ATOM 0 HH22 ARG A 10 26.291 9.411 -18.773 1.00 0.00 H new ATOM 188 N ASN A 11 17.664 9.740 -18.380 1.00 0.00 N ATOM 189 CA ASN A 11 16.955 8.486 -18.051 1.00 0.00 C ATOM 190 C ASN A 11 17.582 7.199 -18.626 1.00 0.00 C ATOM 191 O ASN A 11 16.875 6.281 -19.042 1.00 0.00 O ATOM 192 CB ASN A 11 15.451 8.691 -18.338 1.00 0.00 C ATOM 193 CG ASN A 11 14.559 7.592 -17.789 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.730 7.049 -18.490 1.00 0.00 O ATOM 195 ND2 ASN A 11 14.684 7.246 -16.529 1.00 0.00 N ATOM 0 H ASN A 11 17.824 10.309 -17.549 1.00 0.00 H new ATOM 0 HA ASN A 11 17.074 8.285 -16.986 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.138 9.645 -17.913 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.304 8.759 -19.416 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.084 6.520 -16.138 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.381 7.703 -15.941 1.00 0.00 H new ATOM 202 N SER A 12 18.912 7.132 -18.650 1.00 0.00 N ATOM 203 CA SER A 12 19.673 6.071 -19.327 1.00 0.00 C ATOM 204 C SER A 12 20.188 4.970 -18.405 1.00 0.00 C ATOM 205 O SER A 12 20.216 3.814 -18.807 1.00 0.00 O ATOM 206 CB SER A 12 20.857 6.733 -20.027 1.00 0.00 C ATOM 207 OG SER A 12 21.544 7.490 -19.038 1.00 0.00 O ATOM 0 H SER A 12 19.506 7.824 -18.193 1.00 0.00 H new ATOM 0 HA SER A 12 18.992 5.576 -20.019 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.515 5.984 -20.467 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.517 7.375 -20.839 1.00 0.00 H new ATOM 0 HG SER A 12 22.460 7.666 -19.339 1.00 0.00 H new ATOM 213 N CYS A 13 20.607 5.310 -17.184 1.00 0.00 N ATOM 214 CA CYS A 13 21.332 4.382 -16.295 1.00 0.00 C ATOM 215 C CYS A 13 20.845 4.377 -14.844 1.00 0.00 C ATOM 216 O CYS A 13 20.131 3.458 -14.450 1.00 0.00 O ATOM 217 CB CYS A 13 22.851 4.630 -16.476 1.00 0.00 C ATOM 218 SG CYS A 13 23.281 6.400 -16.349 1.00 0.00 S ATOM 0 H CYS A 13 20.456 6.234 -16.779 1.00 0.00 H new ATOM 0 HA CYS A 13 21.109 3.357 -16.593 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.401 4.069 -15.721 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.166 4.250 -17.448 1.00 0.00 H new ATOM 0 HG CYS A 13 22.727 7.052 -17.327 1.00 0.00 H new ATOM 224 N ARG A 14 21.165 5.400 -14.041 1.00 0.00 N ATOM 225 CA ARG A 14 20.938 5.382 -12.570 1.00 0.00 C ATOM 226 C ARG A 14 19.483 5.127 -12.171 1.00 0.00 C ATOM 227 O ARG A 14 19.207 4.246 -11.373 1.00 0.00 O ATOM 228 CB ARG A 14 21.450 6.693 -11.931 1.00 0.00 C ATOM 229 CG ARG A 14 22.931 7.018 -12.197 1.00 0.00 C ATOM 230 CD ARG A 14 23.423 8.157 -11.288 1.00 0.00 C ATOM 231 NE ARG A 14 24.641 8.793 -11.834 1.00 0.00 N ATOM 232 CZ ARG A 14 24.707 9.786 -12.708 1.00 0.00 C ATOM 233 NH1 ARG A 14 23.673 10.461 -13.121 1.00 0.00 N ATOM 234 NH2 ARG A 14 25.852 10.108 -13.207 1.00 0.00 N ATOM 0 H ARG A 14 21.587 6.265 -14.380 1.00 0.00 H new ATOM 0 HA ARG A 14 21.508 4.536 -12.187 1.00 0.00 H new ATOM 0 HB2 ARG A 14 20.842 7.519 -12.299 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.295 6.638 -10.854 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.537 6.128 -12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.062 7.301 -13.242 1.00 0.00 H new ATOM 0 HD2 ARG A 14 22.637 8.904 -11.181 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.630 7.766 -10.292 1.00 0.00 H new ATOM 0 HE ARG A 14 25.532 8.425 -11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.743 10.235 -12.769 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.793 11.215 -13.797 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.691 9.600 -12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 14 25.918 10.871 -13.881 1.00 0.00 H new ATOM 248 N SER A 15 18.534 5.840 -12.782 1.00 0.00 N ATOM 249 CA SER A 15 17.083 5.681 -12.517 1.00 0.00 C ATOM 250 C SER A 15 16.553 4.321 -12.981 1.00 0.00 C ATOM 251 O SER A 15 15.684 3.737 -12.346 1.00 0.00 O ATOM 252 CB SER A 15 16.333 6.836 -13.192 1.00 0.00 C ATOM 253 OG SER A 15 16.840 6.993 -14.511 1.00 0.00 O ATOM 0 H SER A 15 18.742 6.552 -13.482 1.00 0.00 H new ATOM 0 HA SER A 15 16.916 5.713 -11.440 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.263 6.628 -13.220 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.464 7.757 -12.624 1.00 0.00 H new ATOM 0 HG SER A 15 16.564 6.230 -15.061 1.00 0.00 H new ATOM 259 N GLN A 16 17.127 3.776 -14.063 1.00 0.00 N ATOM 260 CA GLN A 16 16.749 2.454 -14.601 1.00 0.00 C ATOM 261 C GLN A 16 17.248 1.323 -13.686 1.00 0.00 C ATOM 262 O GLN A 16 16.498 0.394 -13.402 1.00 0.00 O ATOM 263 CB GLN A 16 17.285 2.302 -16.047 1.00 0.00 C ATOM 264 CG GLN A 16 16.840 3.399 -17.045 1.00 0.00 C ATOM 265 CD GLN A 16 15.357 3.375 -17.410 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.564 2.627 -16.864 1.00 0.00 O ATOM 267 NE2 GLN A 16 14.926 4.222 -18.310 1.00 0.00 N ATOM 0 H GLN A 16 17.867 4.237 -14.593 1.00 0.00 H new ATOM 0 HA GLN A 16 15.662 2.381 -14.632 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.374 2.288 -16.012 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.966 1.334 -16.433 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.079 4.374 -16.620 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.426 3.297 -17.959 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.581 4.852 -18.773 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.935 4.252 -18.549 1.00 0.00 H new ATOM 276 N MET A 17 18.470 1.448 -13.146 1.00 0.00 N ATOM 277 CA MET A 17 18.995 0.558 -12.091 1.00 0.00 C ATOM 278 C MET A 17 18.181 0.663 -10.794 1.00 0.00 C ATOM 279 O MET A 17 17.911 -0.350 -10.158 1.00 0.00 O ATOM 280 CB MET A 17 20.468 0.891 -11.789 1.00 0.00 C ATOM 281 CG MET A 17 21.455 0.559 -12.914 1.00 0.00 C ATOM 282 SD MET A 17 23.169 0.811 -12.375 1.00 0.00 S ATOM 283 CE MET A 17 24.037 -0.093 -13.679 1.00 0.00 C ATOM 0 H MET A 17 19.129 2.174 -13.429 1.00 0.00 H new ATOM 0 HA MET A 17 18.914 -0.462 -12.467 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.544 1.954 -11.562 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.770 0.351 -10.891 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.318 -0.476 -13.229 1.00 0.00 H new ATOM 0 HG3 MET A 17 21.247 1.186 -13.781 1.00 0.00 H new ATOM 0 HE1 MET A 17 25.112 -0.042 -13.504 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.718 -1.135 -13.674 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.805 0.352 -14.647 1.00 0.00 H new ATOM 293 N ALA A 18 17.742 1.871 -10.417 1.00 0.00 N ATOM 294 CA ALA A 18 16.954 2.099 -9.200 1.00 0.00 C ATOM 295 C ALA A 18 15.585 1.413 -9.284 1.00 0.00 C ATOM 296 O ALA A 18 15.199 0.694 -8.364 1.00 0.00 O ATOM 297 CB ALA A 18 16.839 3.614 -8.969 1.00 0.00 C ATOM 0 H ALA A 18 17.925 2.721 -10.950 1.00 0.00 H new ATOM 0 HA ALA A 18 17.457 1.651 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.256 3.801 -8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.835 4.041 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.345 4.076 -9.824 1.00 0.00 H new ATOM 303 N GLU A 19 14.904 1.526 -10.431 1.00 0.00 N ATOM 304 CA GLU A 19 13.695 0.740 -10.701 1.00 0.00 C ATOM 305 C GLU A 19 13.995 -0.761 -10.709 1.00 0.00 C ATOM 306 O GLU A 19 13.248 -1.515 -10.100 1.00 0.00 O ATOM 307 CB GLU A 19 13.044 1.194 -12.020 1.00 0.00 C ATOM 308 CG GLU A 19 11.563 0.781 -12.082 1.00 0.00 C ATOM 309 CD GLU A 19 11.006 0.767 -13.519 1.00 0.00 C ATOM 310 OE1 GLU A 19 10.734 1.856 -14.078 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.813 -0.348 -14.065 1.00 0.00 O ATOM 0 H GLU A 19 15.171 2.156 -11.188 1.00 0.00 H new ATOM 0 HA GLU A 19 12.984 0.918 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.126 2.277 -12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.581 0.758 -12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.448 -0.210 -11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.973 1.468 -11.475 1.00 0.00 H new ATOM 318 N GLY A 20 15.112 -1.200 -11.303 1.00 0.00 N ATOM 319 CA GLY A 20 15.553 -2.603 -11.311 1.00 0.00 C ATOM 320 C GLY A 20 15.701 -3.215 -9.919 1.00 0.00 C ATOM 321 O GLY A 20 15.153 -4.283 -9.653 1.00 0.00 O ATOM 0 H GLY A 20 15.748 -0.578 -11.802 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.838 -3.195 -11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.509 -2.670 -11.830 1.00 0.00 H new ATOM 325 N PHE A 21 16.381 -2.539 -8.993 1.00 0.00 N ATOM 326 CA PHE A 21 16.488 -3.023 -7.613 1.00 0.00 C ATOM 327 C PHE A 21 15.158 -2.926 -6.881 1.00 0.00 C ATOM 328 O PHE A 21 14.744 -3.890 -6.248 1.00 0.00 O ATOM 329 CB PHE A 21 17.616 -2.283 -6.884 1.00 0.00 C ATOM 330 CG PHE A 21 18.979 -2.739 -7.346 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.368 -4.074 -7.133 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.842 -1.853 -8.010 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.621 -4.523 -7.577 1.00 0.00 C ATOM 334 CE2 PHE A 21 21.092 -2.304 -8.462 1.00 0.00 C ATOM 335 CZ PHE A 21 21.481 -3.642 -8.249 1.00 0.00 C ATOM 0 H PHE A 21 16.865 -1.659 -9.170 1.00 0.00 H new ATOM 0 HA PHE A 21 16.744 -4.082 -7.632 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.515 -1.211 -7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.523 -2.447 -5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.700 -4.755 -6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.545 -0.827 -8.173 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.923 -5.545 -7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.757 -1.624 -8.974 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.441 -3.989 -8.603 1.00 0.00 H new ATOM 345 N ALA A 22 14.440 -1.813 -7.007 1.00 0.00 N ATOM 346 CA ALA A 22 13.183 -1.617 -6.285 1.00 0.00 C ATOM 347 C ALA A 22 12.071 -2.577 -6.736 1.00 0.00 C ATOM 348 O ALA A 22 11.389 -3.141 -5.889 1.00 0.00 O ATOM 349 CB ALA A 22 12.793 -0.142 -6.408 1.00 0.00 C ATOM 0 H ALA A 22 14.707 -1.030 -7.604 1.00 0.00 H new ATOM 0 HA ALA A 22 13.327 -1.865 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.857 0.032 -5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.577 0.479 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.667 0.115 -7.460 1.00 0.00 H new ATOM 355 N LYS A 23 11.924 -2.854 -8.037 1.00 0.00 N ATOM 356 CA LYS A 23 10.889 -3.776 -8.563 1.00 0.00 C ATOM 357 C LYS A 23 11.117 -5.236 -8.150 1.00 0.00 C ATOM 358 O LYS A 23 10.173 -6.014 -8.051 1.00 0.00 O ATOM 359 CB LYS A 23 10.760 -3.607 -10.090 1.00 0.00 C ATOM 360 CG LYS A 23 11.897 -4.226 -10.924 1.00 0.00 C ATOM 361 CD LYS A 23 12.022 -3.616 -12.334 1.00 0.00 C ATOM 362 CE LYS A 23 10.824 -3.911 -13.251 1.00 0.00 C ATOM 363 NZ LYS A 23 10.881 -3.080 -14.491 1.00 0.00 N ATOM 0 H LYS A 23 12.516 -2.449 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 23 9.938 -3.502 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.817 -4.050 -10.409 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.705 -2.542 -10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.840 -4.094 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.729 -5.299 -11.014 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.139 -2.536 -12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.929 -3.996 -12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.817 -4.968 -13.517 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.895 -3.711 -12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.249 -3.486 -15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.579 -2.109 -14.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.855 -3.066 -14.855 1.00 0.00 H new ATOM 377 N THR A 24 12.375 -5.573 -7.867 1.00 0.00 N ATOM 378 CA THR A 24 12.823 -6.889 -7.358 1.00 0.00 C ATOM 379 C THR A 24 12.737 -6.991 -5.824 1.00 0.00 C ATOM 380 O THR A 24 12.048 -7.861 -5.297 1.00 0.00 O ATOM 381 CB THR A 24 14.257 -7.189 -7.825 1.00 0.00 C ATOM 382 OG1 THR A 24 14.365 -7.015 -9.220 1.00 0.00 O ATOM 383 CG2 THR A 24 14.685 -8.625 -7.526 1.00 0.00 C ATOM 0 H THR A 24 13.148 -4.918 -7.987 1.00 0.00 H new ATOM 0 HA THR A 24 12.142 -7.633 -7.771 1.00 0.00 H new ATOM 0 HB THR A 24 14.898 -6.497 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.631 -6.092 -9.415 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.705 -8.781 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.640 -8.802 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.016 -9.318 -8.036 1.00 0.00 H new ATOM 391 N LEU A 25 13.421 -6.092 -5.097 1.00 0.00 N ATOM 392 CA LEU A 25 13.591 -6.135 -3.629 1.00 0.00 C ATOM 393 C LEU A 25 12.370 -5.579 -2.881 1.00 0.00 C ATOM 394 O LEU A 25 12.110 -5.927 -1.731 1.00 0.00 O ATOM 395 CB LEU A 25 14.877 -5.354 -3.248 1.00 0.00 C ATOM 396 CG LEU A 25 16.160 -5.838 -3.953 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.323 -4.945 -3.535 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.511 -7.284 -3.606 1.00 0.00 C ATOM 0 H LEU A 25 13.886 -5.291 -5.524 1.00 0.00 H new ATOM 0 HA LEU A 25 13.686 -7.178 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.727 -4.300 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.023 -5.425 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 25 15.980 -5.786 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.235 -5.280 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.112 -3.915 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.454 -5.001 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.422 -7.573 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.666 -7.373 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.695 -7.939 -3.910 1.00 0.00 H new ATOM 410 N GLY A 26 11.620 -4.696 -3.543 1.00 0.00 N ATOM 411 CA GLY A 26 10.385 -4.075 -3.070 1.00 0.00 C ATOM 412 C GLY A 26 9.107 -4.713 -3.610 1.00 0.00 C ATOM 413 O GLY A 26 8.035 -4.171 -3.356 1.00 0.00 O ATOM 0 H GLY A 26 11.875 -4.378 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.365 -4.119 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.394 -3.021 -3.347 1.00 0.00 H new ATOM 417 N ALA A 27 9.181 -5.832 -4.341 1.00 0.00 N ATOM 418 CA ALA A 27 8.004 -6.518 -4.894 1.00 0.00 C ATOM 419 C ALA A 27 6.919 -6.791 -3.824 1.00 0.00 C ATOM 420 O ALA A 27 7.140 -7.543 -2.872 1.00 0.00 O ATOM 421 CB ALA A 27 8.468 -7.826 -5.549 1.00 0.00 C ATOM 0 H ALA A 27 10.064 -6.290 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 27 7.539 -5.868 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.607 -8.350 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.177 -7.602 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.949 -8.456 -4.801 1.00 0.00 H new ATOM 427 N GLY A 28 5.749 -6.147 -3.958 1.00 0.00 N ATOM 428 CA GLY A 28 4.618 -6.263 -3.018 1.00 0.00 C ATOM 429 C GLY A 28 4.683 -5.306 -1.817 1.00 0.00 C ATOM 430 O GLY A 28 3.672 -5.083 -1.151 1.00 0.00 O ATOM 0 H GLY A 28 5.557 -5.518 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.691 -6.080 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.574 -7.287 -2.648 1.00 0.00 H new ATOM 434 N LYS A 29 5.847 -4.681 -1.584 1.00 0.00 N ATOM 435 CA LYS A 29 6.055 -3.578 -0.626 1.00 0.00 C ATOM 436 C LYS A 29 5.810 -2.226 -1.288 1.00 0.00 C ATOM 437 O LYS A 29 5.224 -1.342 -0.675 1.00 0.00 O ATOM 438 CB LYS A 29 7.476 -3.669 -0.033 1.00 0.00 C ATOM 439 CG LYS A 29 7.640 -4.913 0.861 1.00 0.00 C ATOM 440 CD LYS A 29 8.968 -5.660 0.674 1.00 0.00 C ATOM 441 CE LYS A 29 10.191 -4.921 1.240 1.00 0.00 C ATOM 442 NZ LYS A 29 11.432 -5.747 1.091 1.00 0.00 N ATOM 0 H LYS A 29 6.703 -4.938 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 29 5.334 -3.671 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.207 -3.703 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.686 -2.772 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.552 -4.609 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.819 -5.601 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.894 -6.636 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.125 -5.838 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.318 -3.970 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.027 -4.691 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.212 -5.299 1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.263 -6.700 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.684 -5.817 0.084 1.00 0.00 H new ATOM 456 N ILE A 30 6.231 -2.063 -2.544 1.00 0.00 N ATOM 457 CA ILE A 30 6.134 -0.805 -3.304 1.00 0.00 C ATOM 458 C ILE A 30 5.755 -1.005 -4.780 1.00 0.00 C ATOM 459 O ILE A 30 5.700 -2.128 -5.279 1.00 0.00 O ATOM 460 CB ILE A 30 7.446 0.014 -3.157 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.756 -0.642 -3.637 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.690 0.401 -1.691 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.808 -1.106 -5.095 1.00 0.00 C ATOM 0 H ILE A 30 6.660 -2.818 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 30 5.310 -0.238 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 30 7.248 0.858 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.568 0.068 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.957 -1.504 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.614 0.974 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.858 1.006 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.771 -0.501 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.783 -1.548 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.029 -1.848 -5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.650 -0.253 -5.754 1.00 0.00 H new ATOM 475 N ALA A 31 5.521 0.113 -5.471 1.00 0.00 N ATOM 476 CA ALA A 31 5.381 0.198 -6.928 1.00 0.00 C ATOM 477 C ALA A 31 6.317 1.316 -7.436 1.00 0.00 C ATOM 478 O ALA A 31 6.482 2.332 -6.756 1.00 0.00 O ATOM 479 CB ALA A 31 3.908 0.395 -7.305 1.00 0.00 C ATOM 0 H ALA A 31 5.420 1.019 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 31 5.683 -0.728 -7.416 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.815 0.457 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.323 -0.448 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.538 1.317 -6.856 1.00 0.00 H new ATOM 485 N VAL A 32 6.977 1.132 -8.585 1.00 0.00 N ATOM 486 CA VAL A 32 8.053 2.014 -9.047 1.00 0.00 C ATOM 487 C VAL A 32 8.029 2.357 -10.533 1.00 0.00 C ATOM 488 O VAL A 32 7.623 1.549 -11.371 1.00 0.00 O ATOM 489 CB VAL A 32 9.419 1.411 -8.704 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.845 1.896 -7.323 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.525 -0.115 -8.806 1.00 0.00 C ATOM 0 H VAL A 32 6.778 0.362 -9.224 1.00 0.00 H new ATOM 0 HA VAL A 32 7.880 2.951 -8.518 1.00 0.00 H new ATOM 0 HB VAL A 32 10.101 1.767 -9.477 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.817 1.471 -7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.914 2.984 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.109 1.581 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.535 -0.428 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.811 -0.576 -8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.304 -0.428 -9.827 1.00 0.00 H new ATOM 501 N THR A 33 8.558 3.546 -10.830 1.00 0.00 N ATOM 502 CA THR A 33 8.699 4.098 -12.186 1.00 0.00 C ATOM 503 C THR A 33 10.047 4.820 -12.328 1.00 0.00 C ATOM 504 O THR A 33 10.527 5.442 -11.379 1.00 0.00 O ATOM 505 CB THR A 33 7.530 5.062 -12.489 1.00 0.00 C ATOM 506 OG1 THR A 33 6.289 4.453 -12.183 1.00 0.00 O ATOM 507 CG2 THR A 33 7.445 5.471 -13.961 1.00 0.00 C ATOM 0 H THR A 33 8.913 4.176 -10.110 1.00 0.00 H new ATOM 0 HA THR A 33 8.670 3.281 -12.906 1.00 0.00 H new ATOM 0 HB THR A 33 7.726 5.941 -11.875 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.560 5.078 -12.380 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.602 6.148 -14.102 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.367 5.974 -14.253 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.305 4.583 -14.578 1.00 0.00 H new ATOM 515 N SER A 34 10.670 4.751 -13.506 1.00 0.00 N ATOM 516 CA SER A 34 11.871 5.499 -13.889 1.00 0.00 C ATOM 517 C SER A 34 11.569 6.558 -14.962 1.00 0.00 C ATOM 518 O SER A 34 10.867 6.285 -15.938 1.00 0.00 O ATOM 519 CB SER A 34 12.910 4.499 -14.382 1.00 0.00 C ATOM 520 OG SER A 34 14.095 5.170 -14.759 1.00 0.00 O ATOM 0 H SER A 34 10.336 4.144 -14.255 1.00 0.00 H new ATOM 0 HA SER A 34 12.251 6.043 -13.024 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.128 3.774 -13.598 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.514 3.941 -15.231 1.00 0.00 H new ATOM 0 HG SER A 34 14.771 4.514 -15.027 1.00 0.00 H new ATOM 526 N CYS A 35 12.119 7.764 -14.791 1.00 0.00 N ATOM 527 CA CYS A 35 12.017 8.890 -15.728 1.00 0.00 C ATOM 528 C CYS A 35 13.258 9.802 -15.675 1.00 0.00 C ATOM 529 O CYS A 35 14.219 9.554 -14.944 1.00 0.00 O ATOM 530 CB CYS A 35 10.721 9.659 -15.436 1.00 0.00 C ATOM 531 SG CYS A 35 10.852 10.677 -13.947 1.00 0.00 S ATOM 0 H CYS A 35 12.670 7.993 -13.963 1.00 0.00 H new ATOM 0 HA CYS A 35 11.981 8.505 -16.747 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.477 10.294 -16.288 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.899 8.952 -15.320 1.00 0.00 H new ATOM 0 HG CYS A 35 10.340 10.037 -12.938 1.00 0.00 H new ATOM 537 N GLY A 36 13.287 10.868 -16.470 1.00 0.00 N ATOM 538 CA GLY A 36 14.305 11.917 -16.356 1.00 0.00 C ATOM 539 C GLY A 36 13.780 13.275 -16.765 1.00 0.00 C ATOM 540 O GLY A 36 12.736 13.354 -17.396 1.00 0.00 O ATOM 0 H GLY A 36 12.607 11.032 -17.212 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.662 11.963 -15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.161 11.658 -16.979 1.00 0.00 H new ATOM 544 N LEU A 37 14.502 14.357 -16.468 1.00 0.00 N ATOM 545 CA LEU A 37 14.085 15.698 -16.930 1.00 0.00 C ATOM 546 C LEU A 37 14.102 15.850 -18.469 1.00 0.00 C ATOM 547 O LEU A 37 13.523 16.780 -19.026 1.00 0.00 O ATOM 548 CB LEU A 37 14.812 16.832 -16.194 1.00 0.00 C ATOM 549 CG LEU A 37 16.349 16.717 -16.124 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.003 18.096 -16.138 1.00 0.00 C ATOM 551 CD2 LEU A 37 16.767 16.032 -14.821 1.00 0.00 C ATOM 0 H LEU A 37 15.363 14.342 -15.921 1.00 0.00 H new ATOM 0 HA LEU A 37 13.035 15.794 -16.652 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.560 17.774 -16.680 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.425 16.885 -15.176 1.00 0.00 H new ATOM 0 HG LEU A 37 16.670 16.140 -16.991 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.086 17.985 -16.088 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.734 18.617 -17.057 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.657 18.672 -15.280 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.854 15.956 -14.782 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.414 16.618 -13.972 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.332 15.034 -14.779 1.00 0.00 H new ATOM 563 N GLU A 38 14.733 14.886 -19.136 1.00 0.00 N ATOM 564 CA GLU A 38 14.724 14.639 -20.580 1.00 0.00 C ATOM 565 C GLU A 38 14.995 13.138 -20.813 1.00 0.00 C ATOM 566 O GLU A 38 15.516 12.451 -19.930 1.00 0.00 O ATOM 567 CB GLU A 38 15.729 15.545 -21.322 1.00 0.00 C ATOM 568 CG GLU A 38 17.179 15.389 -20.851 1.00 0.00 C ATOM 569 CD GLU A 38 18.150 16.302 -21.624 1.00 0.00 C ATOM 570 OE1 GLU A 38 18.246 16.191 -22.870 1.00 0.00 O ATOM 571 OE2 GLU A 38 18.856 17.121 -20.983 1.00 0.00 O ATOM 0 H GLU A 38 15.309 14.203 -18.644 1.00 0.00 H new ATOM 0 HA GLU A 38 13.748 14.893 -20.994 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.679 15.327 -22.389 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.427 16.585 -21.195 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.239 15.618 -19.787 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.487 14.351 -20.972 1.00 0.00 H new ATOM 578 N SER A 39 14.627 12.615 -21.982 1.00 0.00 N ATOM 579 CA SER A 39 14.767 11.196 -22.346 1.00 0.00 C ATOM 580 C SER A 39 15.785 10.983 -23.478 1.00 0.00 C ATOM 581 O SER A 39 15.880 11.781 -24.416 1.00 0.00 O ATOM 582 CB SER A 39 13.396 10.610 -22.719 1.00 0.00 C ATOM 583 OG SER A 39 12.763 11.402 -23.713 1.00 0.00 O ATOM 0 H SER A 39 14.212 13.177 -22.725 1.00 0.00 H new ATOM 0 HA SER A 39 15.154 10.667 -21.475 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.518 9.590 -23.084 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.764 10.558 -21.832 1.00 0.00 H new ATOM 0 HG SER A 39 11.893 11.011 -23.938 1.00 0.00 H new ATOM 589 N SER A 40 16.534 9.877 -23.401 1.00 0.00 N ATOM 590 CA SER A 40 17.411 9.385 -24.475 1.00 0.00 C ATOM 591 C SER A 40 17.121 7.902 -24.773 1.00 0.00 C ATOM 592 O SER A 40 16.110 7.608 -25.417 1.00 0.00 O ATOM 593 CB SER A 40 18.867 9.735 -24.149 1.00 0.00 C ATOM 594 OG SER A 40 19.706 9.321 -25.210 1.00 0.00 O ATOM 0 H SER A 40 16.549 9.284 -22.571 1.00 0.00 H new ATOM 0 HA SER A 40 17.202 9.889 -25.419 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.966 10.809 -23.992 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.169 9.248 -23.222 1.00 0.00 H new ATOM 0 HG SER A 40 19.295 9.565 -26.066 1.00 0.00 H new ATOM 600 N ARG A 41 17.948 6.967 -24.281 1.00 0.00 N ATOM 601 CA ARG A 41 17.708 5.506 -24.307 1.00 0.00 C ATOM 602 C ARG A 41 18.345 4.826 -23.091 1.00 0.00 C ATOM 603 O ARG A 41 19.294 5.375 -22.532 1.00 0.00 O ATOM 604 CB ARG A 41 18.176 4.902 -25.655 1.00 0.00 C ATOM 605 CG ARG A 41 19.686 4.648 -25.850 1.00 0.00 C ATOM 606 CD ARG A 41 20.621 5.865 -25.740 1.00 0.00 C ATOM 607 NE ARG A 41 20.277 6.943 -26.687 1.00 0.00 N ATOM 608 CZ ARG A 41 20.537 7.026 -27.980 1.00 0.00 C ATOM 609 NH1 ARG A 41 21.136 6.076 -28.639 1.00 0.00 N ATOM 610 NH2 ARG A 41 20.192 8.096 -28.636 1.00 0.00 N ATOM 0 H ARG A 41 18.834 7.210 -23.838 1.00 0.00 H new ATOM 0 HA ARG A 41 16.636 5.320 -24.236 1.00 0.00 H new ATOM 0 HB2 ARG A 41 17.657 3.954 -25.794 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.844 5.567 -26.452 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.003 3.910 -25.113 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.829 4.199 -26.833 1.00 0.00 H new ATOM 0 HD2 ARG A 41 20.582 6.256 -24.723 1.00 0.00 H new ATOM 0 HD3 ARG A 41 21.647 5.545 -25.919 1.00 0.00 H new ATOM 0 HE ARG A 41 19.769 7.733 -26.289 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.425 5.225 -28.157 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.316 6.183 -29.637 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.725 8.863 -28.152 1.00 0.00 H new ATOM 0 HH22 ARG A 41 20.389 8.168 -29.634 1.00 0.00 H new ATOM 624 N VAL A 42 17.891 3.627 -22.696 1.00 0.00 N ATOM 625 CA VAL A 42 18.608 2.841 -21.661 1.00 0.00 C ATOM 626 C VAL A 42 20.014 2.519 -22.168 1.00 0.00 C ATOM 627 O VAL A 42 20.173 2.024 -23.284 1.00 0.00 O ATOM 628 CB VAL A 42 17.917 1.533 -21.223 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.613 0.943 -19.987 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.467 1.759 -20.824 1.00 0.00 C ATOM 0 H VAL A 42 17.050 3.182 -23.063 1.00 0.00 H new ATOM 0 HA VAL A 42 18.622 3.472 -20.772 1.00 0.00 H new ATOM 0 HB VAL A 42 17.975 0.862 -22.080 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.112 0.021 -19.693 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.655 0.730 -20.224 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.566 1.659 -19.167 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.020 0.811 -20.523 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.424 2.461 -19.991 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.916 2.167 -21.671 1.00 0.00 H new ATOM 640 N HIS A 43 21.029 2.787 -21.347 1.00 0.00 N ATOM 641 CA HIS A 43 22.412 2.447 -21.672 1.00 0.00 C ATOM 642 C HIS A 43 22.530 0.921 -21.692 1.00 0.00 C ATOM 643 O HIS A 43 22.177 0.284 -20.697 1.00 0.00 O ATOM 644 CB HIS A 43 23.347 3.096 -20.648 1.00 0.00 C ATOM 645 CG HIS A 43 24.765 3.139 -21.130 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.638 2.054 -21.201 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.388 4.249 -21.609 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.786 2.549 -21.702 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.656 3.861 -21.962 1.00 0.00 N ATOM 0 H HIS A 43 20.916 3.244 -20.442 1.00 0.00 H new ATOM 0 HA HIS A 43 22.701 2.827 -22.652 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.005 4.109 -20.436 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.299 2.541 -19.711 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.968 5.240 -21.695 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.684 1.973 -21.871 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.377 4.466 -22.355 1.00 0.00 H new ATOM 657 N PRO A 44 22.996 0.294 -22.782 1.00 0.00 N ATOM 658 CA PRO A 44 22.892 -1.154 -22.900 1.00 0.00 C ATOM 659 C PRO A 44 23.805 -1.884 -21.897 1.00 0.00 C ATOM 660 O PRO A 44 23.485 -2.983 -21.443 1.00 0.00 O ATOM 661 CB PRO A 44 23.245 -1.442 -24.361 1.00 0.00 C ATOM 662 CG PRO A 44 24.201 -0.308 -24.734 1.00 0.00 C ATOM 663 CD PRO A 44 23.634 0.877 -23.955 1.00 0.00 C ATOM 0 HA PRO A 44 21.897 -1.523 -22.653 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.718 -2.418 -24.474 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.358 -1.443 -24.995 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.227 -0.531 -24.442 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.208 -0.121 -25.808 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.422 1.573 -23.669 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.917 1.436 -24.556 1.00 0.00 H new ATOM 671 N THR A 45 24.897 -1.243 -21.456 1.00 0.00 N ATOM 672 CA THR A 45 25.762 -1.765 -20.385 1.00 0.00 C ATOM 673 C THR A 45 25.068 -1.726 -19.023 1.00 0.00 C ATOM 674 O THR A 45 25.294 -2.617 -18.214 1.00 0.00 O ATOM 675 CB THR A 45 27.103 -1.013 -20.336 1.00 0.00 C ATOM 676 OG1 THR A 45 27.681 -0.938 -21.628 1.00 0.00 O ATOM 677 CG2 THR A 45 28.115 -1.703 -19.420 1.00 0.00 C ATOM 0 H THR A 45 25.207 -0.347 -21.832 1.00 0.00 H new ATOM 0 HA THR A 45 25.966 -2.810 -20.620 1.00 0.00 H new ATOM 0 HB THR A 45 26.881 -0.018 -19.950 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.532 -0.455 -21.578 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.047 -1.138 -19.416 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.715 -1.751 -18.407 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.305 -2.713 -19.783 1.00 0.00 H new ATOM 685 N ALA A 46 24.143 -0.790 -18.767 1.00 0.00 N ATOM 686 CA ALA A 46 23.350 -0.790 -17.533 1.00 0.00 C ATOM 687 C ALA A 46 22.518 -2.071 -17.393 1.00 0.00 C ATOM 688 O ALA A 46 22.547 -2.718 -16.351 1.00 0.00 O ATOM 689 CB ALA A 46 22.442 0.449 -17.514 1.00 0.00 C ATOM 0 H ALA A 46 23.926 -0.021 -19.402 1.00 0.00 H new ATOM 0 HA ALA A 46 24.033 -0.757 -16.684 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.851 0.453 -16.598 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.055 1.350 -17.554 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.775 0.425 -18.376 1.00 0.00 H new ATOM 695 N ILE A 47 21.849 -2.485 -18.473 1.00 0.00 N ATOM 696 CA ILE A 47 21.110 -3.756 -18.532 1.00 0.00 C ATOM 697 C ILE A 47 22.056 -4.931 -18.261 1.00 0.00 C ATOM 698 O ILE A 47 21.760 -5.761 -17.406 1.00 0.00 O ATOM 699 CB ILE A 47 20.392 -3.879 -19.896 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.292 -2.801 -20.052 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.760 -5.264 -20.091 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.328 -2.111 -21.413 1.00 0.00 C ATOM 0 H ILE A 47 21.803 -1.946 -19.338 1.00 0.00 H new ATOM 0 HA ILE A 47 20.345 -3.777 -17.756 1.00 0.00 H new ATOM 0 HB ILE A 47 21.158 -3.732 -20.657 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.315 -3.262 -19.910 1.00 0.00 H new ATOM 0 HG13 ILE A 47 19.409 -2.053 -19.268 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.267 -5.305 -21.062 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.536 -6.028 -20.045 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.028 -5.444 -19.304 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.534 -1.366 -21.464 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.293 -1.623 -21.548 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.182 -2.851 -22.200 1.00 0.00 H new ATOM 714 N ALA A 48 23.236 -4.949 -18.890 1.00 0.00 N ATOM 715 CA ALA A 48 24.233 -6.004 -18.672 1.00 0.00 C ATOM 716 C ALA A 48 24.707 -6.089 -17.207 1.00 0.00 C ATOM 717 O ALA A 48 24.899 -7.175 -16.664 1.00 0.00 O ATOM 718 CB ALA A 48 25.414 -5.761 -19.612 1.00 0.00 C ATOM 0 H ALA A 48 23.526 -4.237 -19.561 1.00 0.00 H new ATOM 0 HA ALA A 48 23.765 -6.964 -18.890 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.164 -6.537 -19.462 1.00 0.00 H new ATOM 0 HB2 ALA A 48 25.068 -5.786 -20.645 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.853 -4.786 -19.400 1.00 0.00 H new ATOM 724 N MET A 49 24.847 -4.936 -16.544 1.00 0.00 N ATOM 725 CA MET A 49 25.268 -4.829 -15.140 1.00 0.00 C ATOM 726 C MET A 49 24.143 -5.203 -14.169 1.00 0.00 C ATOM 727 O MET A 49 24.435 -5.684 -13.079 1.00 0.00 O ATOM 728 CB MET A 49 25.818 -3.421 -14.870 1.00 0.00 C ATOM 729 CG MET A 49 27.021 -3.078 -15.755 1.00 0.00 C ATOM 730 SD MET A 49 28.644 -3.473 -15.051 1.00 0.00 S ATOM 731 CE MET A 49 28.896 -5.146 -15.674 1.00 0.00 C ATOM 0 H MET A 49 24.667 -4.030 -16.977 1.00 0.00 H new ATOM 0 HA MET A 49 26.065 -5.551 -14.964 1.00 0.00 H new ATOM 0 HB2 MET A 49 25.028 -2.688 -15.037 1.00 0.00 H new ATOM 0 HB3 MET A 49 26.109 -3.343 -13.822 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.916 -3.608 -16.702 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.992 -2.012 -15.981 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.893 -5.491 -15.398 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.149 -5.812 -15.242 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.799 -5.148 -16.760 1.00 0.00 H new ATOM 741 N MET A 50 22.875 -5.036 -14.549 1.00 0.00 N ATOM 742 CA MET A 50 21.737 -5.566 -13.786 1.00 0.00 C ATOM 743 C MET A 50 21.573 -7.082 -13.996 1.00 0.00 C ATOM 744 O MET A 50 21.208 -7.794 -13.059 1.00 0.00 O ATOM 745 CB MET A 50 20.456 -4.802 -14.143 1.00 0.00 C ATOM 746 CG MET A 50 20.498 -3.323 -13.722 1.00 0.00 C ATOM 747 SD MET A 50 20.889 -2.973 -11.982 1.00 0.00 S ATOM 748 CE MET A 50 19.601 -3.942 -11.163 1.00 0.00 C ATOM 0 H MET A 50 22.605 -4.531 -15.393 1.00 0.00 H new ATOM 0 HA MET A 50 21.937 -5.416 -12.725 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.292 -4.863 -15.219 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.606 -5.286 -13.663 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.235 -2.814 -14.344 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.529 -2.879 -13.948 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.200 -3.376 -10.322 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.801 -4.156 -11.871 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.025 -4.879 -10.801 1.00 0.00 H new ATOM 758 N GLU A 51 21.941 -7.615 -15.165 1.00 0.00 N ATOM 759 CA GLU A 51 21.920 -9.065 -15.399 1.00 0.00 C ATOM 760 C GLU A 51 22.969 -9.825 -14.562 1.00 0.00 C ATOM 761 O GLU A 51 22.741 -10.988 -14.230 1.00 0.00 O ATOM 762 CB GLU A 51 22.085 -9.388 -16.895 1.00 0.00 C ATOM 763 CG GLU A 51 20.820 -9.097 -17.708 1.00 0.00 C ATOM 764 CD GLU A 51 21.007 -9.529 -19.177 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.662 -8.799 -19.961 1.00 0.00 O ATOM 766 OE2 GLU A 51 20.500 -10.612 -19.558 1.00 0.00 O ATOM 0 H GLU A 51 22.257 -7.066 -15.964 1.00 0.00 H new ATOM 0 HA GLU A 51 20.941 -9.413 -15.069 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.913 -8.805 -17.299 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.350 -10.439 -17.008 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.972 -9.626 -17.273 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.589 -8.033 -17.663 1.00 0.00 H new ATOM 773 N GLU A 52 24.068 -9.182 -14.130 1.00 0.00 N ATOM 774 CA GLU A 52 25.038 -9.810 -13.207 1.00 0.00 C ATOM 775 C GLU A 52 24.417 -10.186 -11.851 1.00 0.00 C ATOM 776 O GLU A 52 24.817 -11.178 -11.239 1.00 0.00 O ATOM 777 CB GLU A 52 26.215 -8.878 -12.905 1.00 0.00 C ATOM 778 CG GLU A 52 27.031 -8.454 -14.125 1.00 0.00 C ATOM 779 CD GLU A 52 28.424 -7.976 -13.700 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.527 -7.057 -12.850 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.431 -8.493 -14.233 1.00 0.00 O ATOM 0 H GLU A 52 24.309 -8.229 -14.403 1.00 0.00 H new ATOM 0 HA GLU A 52 25.370 -10.709 -13.726 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.834 -7.983 -12.413 1.00 0.00 H new ATOM 0 HB3 GLU A 52 26.879 -9.373 -12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 52 27.123 -9.291 -14.817 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.513 -7.656 -14.657 1.00 0.00 H new ATOM 788 N VAL A 53 23.424 -9.411 -11.396 1.00 0.00 N ATOM 789 CA VAL A 53 22.657 -9.651 -10.157 1.00 0.00 C ATOM 790 C VAL A 53 21.319 -10.367 -10.424 1.00 0.00 C ATOM 791 O VAL A 53 20.491 -10.498 -9.522 1.00 0.00 O ATOM 792 CB VAL A 53 22.505 -8.358 -9.321 1.00 0.00 C ATOM 793 CG1 VAL A 53 23.872 -7.844 -8.847 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.826 -7.218 -10.089 1.00 0.00 C ATOM 0 H VAL A 53 23.119 -8.573 -11.892 1.00 0.00 H new ATOM 0 HA VAL A 53 23.237 -10.342 -9.545 1.00 0.00 H new ATOM 0 HB VAL A 53 21.876 -8.638 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 53 23.736 -6.934 -8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 53 24.352 -8.604 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 53 24.500 -7.628 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.750 -6.341 -9.446 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.417 -6.971 -10.971 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.828 -7.530 -10.396 1.00 0.00 H new ATOM 804 N GLY A 54 21.108 -10.853 -11.655 1.00 0.00 N ATOM 805 CA GLY A 54 19.921 -11.609 -12.070 1.00 0.00 C ATOM 806 C GLY A 54 18.640 -10.772 -12.223 1.00 0.00 C ATOM 807 O GLY A 54 17.541 -11.326 -12.164 1.00 0.00 O ATOM 0 H GLY A 54 21.780 -10.726 -12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.134 -12.098 -13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.737 -12.398 -11.340 1.00 0.00 H new ATOM 811 N ILE A 55 18.767 -9.452 -12.398 1.00 0.00 N ATOM 812 CA ILE A 55 17.650 -8.502 -12.511 1.00 0.00 C ATOM 813 C ILE A 55 17.493 -8.045 -13.966 1.00 0.00 C ATOM 814 O ILE A 55 18.470 -7.694 -14.628 1.00 0.00 O ATOM 815 CB ILE A 55 17.856 -7.324 -11.531 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.781 -7.832 -10.070 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.824 -6.205 -11.759 1.00 0.00 C ATOM 818 CD1 ILE A 55 18.002 -6.764 -8.988 1.00 0.00 C ATOM 0 H ILE A 55 19.678 -8.999 -12.467 1.00 0.00 H new ATOM 0 HA ILE A 55 16.717 -8.991 -12.230 1.00 0.00 H new ATOM 0 HB ILE A 55 18.844 -6.903 -11.718 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.804 -8.288 -9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.525 -8.618 -9.938 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.002 -5.396 -11.051 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.918 -5.825 -12.776 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.819 -6.601 -11.612 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.929 -7.224 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.991 -6.322 -9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.243 -5.987 -9.083 1.00 0.00 H new ATOM 830 N ASP A 56 16.253 -8.009 -14.458 1.00 0.00 N ATOM 831 CA ASP A 56 15.935 -7.610 -15.832 1.00 0.00 C ATOM 832 C ASP A 56 15.367 -6.183 -15.915 1.00 0.00 C ATOM 833 O ASP A 56 14.304 -5.891 -15.359 1.00 0.00 O ATOM 834 CB ASP A 56 14.976 -8.632 -16.461 1.00 0.00 C ATOM 835 CG ASP A 56 14.571 -8.253 -17.899 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.374 -7.597 -18.606 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.441 -8.603 -18.317 1.00 0.00 O ATOM 0 H ASP A 56 15.431 -8.259 -13.908 1.00 0.00 H new ATOM 0 HA ASP A 56 16.865 -7.598 -16.400 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.449 -9.614 -16.467 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.081 -8.713 -15.844 1.00 0.00 H new ATOM 842 N ILE A 57 16.066 -5.311 -16.653 1.00 0.00 N ATOM 843 CA ILE A 57 15.597 -3.970 -17.049 1.00 0.00 C ATOM 844 C ILE A 57 15.580 -3.776 -18.582 1.00 0.00 C ATOM 845 O ILE A 57 15.431 -2.655 -19.063 1.00 0.00 O ATOM 846 CB ILE A 57 16.355 -2.840 -16.308 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.857 -2.803 -16.648 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.164 -2.935 -14.781 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.454 -1.392 -16.529 1.00 0.00 C ATOM 0 H ILE A 57 17.001 -5.522 -17.003 1.00 0.00 H new ATOM 0 HA ILE A 57 14.558 -3.899 -16.729 1.00 0.00 H new ATOM 0 HB ILE A 57 15.915 -1.908 -16.662 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.394 -3.478 -15.981 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.005 -3.172 -17.663 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.710 -2.126 -14.295 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.104 -2.853 -14.541 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.543 -3.893 -14.426 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.514 -1.423 -16.779 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.939 -0.720 -17.215 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.333 -1.031 -15.508 1.00 0.00 H new ATOM 861 N SER A 58 15.726 -4.845 -19.374 1.00 0.00 N ATOM 862 CA SER A 58 15.794 -4.781 -20.847 1.00 0.00 C ATOM 863 C SER A 58 14.471 -4.325 -21.485 1.00 0.00 C ATOM 864 O SER A 58 14.465 -3.691 -22.543 1.00 0.00 O ATOM 865 CB SER A 58 16.203 -6.155 -21.394 1.00 0.00 C ATOM 866 OG SER A 58 16.600 -6.053 -22.754 1.00 0.00 O ATOM 0 H SER A 58 15.802 -5.794 -19.009 1.00 0.00 H new ATOM 0 HA SER A 58 16.540 -4.032 -21.111 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.022 -6.560 -20.800 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.369 -6.851 -21.304 1.00 0.00 H new ATOM 0 HG SER A 58 16.859 -6.938 -23.086 1.00 0.00 H new ATOM 872 N GLY A 59 13.345 -4.581 -20.806 1.00 0.00 N ATOM 873 CA GLY A 59 12.009 -4.109 -21.191 1.00 0.00 C ATOM 874 C GLY A 59 11.728 -2.624 -20.905 1.00 0.00 C ATOM 875 O GLY A 59 10.620 -2.163 -21.184 1.00 0.00 O ATOM 0 H GLY A 59 13.338 -5.137 -19.951 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.872 -4.289 -22.257 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.265 -4.710 -20.668 1.00 0.00 H new ATOM 879 N GLN A 60 12.687 -1.867 -20.349 1.00 0.00 N ATOM 880 CA GLN A 60 12.559 -0.423 -20.120 1.00 0.00 C ATOM 881 C GLN A 60 13.088 0.372 -21.327 1.00 0.00 C ATOM 882 O GLN A 60 13.943 -0.084 -22.088 1.00 0.00 O ATOM 883 CB GLN A 60 13.237 -0.031 -18.791 1.00 0.00 C ATOM 884 CG GLN A 60 12.380 -0.443 -17.578 1.00 0.00 C ATOM 885 CD GLN A 60 13.196 -0.817 -16.345 1.00 0.00 C ATOM 886 OE1 GLN A 60 13.116 -1.934 -15.852 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.006 0.067 -15.802 1.00 0.00 N ATOM 0 H GLN A 60 13.583 -2.247 -20.043 1.00 0.00 H new ATOM 0 HA GLN A 60 11.504 -0.165 -20.025 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.215 -0.508 -18.726 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.405 1.046 -18.771 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.710 0.378 -17.323 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.754 -1.290 -17.858 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.083 1.002 -16.202 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.557 -0.183 -14.981 1.00 0.00 H new ATOM 896 N THR A 61 12.573 1.589 -21.478 1.00 0.00 N ATOM 897 CA THR A 61 12.855 2.581 -22.514 1.00 0.00 C ATOM 898 C THR A 61 12.719 3.936 -21.823 1.00 0.00 C ATOM 899 O THR A 61 12.034 4.062 -20.800 1.00 0.00 O ATOM 900 CB THR A 61 11.892 2.496 -23.718 1.00 0.00 C ATOM 901 OG1 THR A 61 10.542 2.494 -23.294 1.00 0.00 O ATOM 902 CG2 THR A 61 12.113 1.235 -24.555 1.00 0.00 C ATOM 0 H THR A 61 11.882 1.940 -20.815 1.00 0.00 H new ATOM 0 HA THR A 61 13.847 2.413 -22.932 1.00 0.00 H new ATOM 0 HB THR A 61 12.104 3.376 -24.325 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.954 2.441 -24.076 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.411 1.224 -25.389 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.133 1.228 -24.940 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.953 0.354 -23.934 1.00 0.00 H new ATOM 910 N SER A 62 13.427 4.951 -22.307 1.00 0.00 N ATOM 911 CA SER A 62 13.514 6.210 -21.572 1.00 0.00 C ATOM 912 C SER A 62 12.263 7.086 -21.726 1.00 0.00 C ATOM 913 O SER A 62 11.734 7.224 -22.830 1.00 0.00 O ATOM 914 CB SER A 62 14.743 6.970 -22.015 1.00 0.00 C ATOM 915 OG SER A 62 15.908 6.198 -21.797 1.00 0.00 O ATOM 0 H SER A 62 13.940 4.930 -23.188 1.00 0.00 H new ATOM 0 HA SER A 62 13.587 5.960 -20.513 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.660 7.223 -23.072 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.814 7.909 -21.467 1.00 0.00 H new ATOM 0 HG SER A 62 16.178 6.271 -20.858 1.00 0.00 H new ATOM 921 N ASP A 63 11.832 7.738 -20.641 1.00 0.00 N ATOM 922 CA ASP A 63 10.649 8.630 -20.620 1.00 0.00 C ATOM 923 C ASP A 63 10.851 9.938 -19.811 1.00 0.00 C ATOM 924 O ASP A 63 11.552 9.928 -18.791 1.00 0.00 O ATOM 925 CB ASP A 63 9.419 7.873 -20.094 1.00 0.00 C ATOM 926 CG ASP A 63 8.815 6.933 -21.151 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.325 7.436 -22.191 1.00 0.00 O ATOM 928 OD2 ASP A 63 8.772 5.701 -20.922 1.00 0.00 O ATOM 0 H ASP A 63 12.296 7.665 -19.736 1.00 0.00 H new ATOM 0 HA ASP A 63 10.493 8.936 -21.654 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.700 7.294 -19.215 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.663 8.590 -19.775 1.00 0.00 H new ATOM 933 N PRO A 64 10.245 11.072 -20.232 1.00 0.00 N ATOM 934 CA PRO A 64 10.485 12.391 -19.643 1.00 0.00 C ATOM 935 C PRO A 64 9.539 12.740 -18.478 1.00 0.00 C ATOM 936 O PRO A 64 8.368 12.361 -18.463 1.00 0.00 O ATOM 937 CB PRO A 64 10.318 13.370 -20.813 1.00 0.00 C ATOM 938 CG PRO A 64 9.187 12.730 -21.615 1.00 0.00 C ATOM 939 CD PRO A 64 9.453 11.231 -21.453 1.00 0.00 C ATOM 0 HA PRO A 64 11.474 12.432 -19.187 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.058 14.372 -20.471 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.232 13.461 -21.400 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.208 13.010 -21.226 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.213 13.033 -22.662 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.517 10.678 -21.381 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.990 10.838 -22.316 1.00 0.00 H new ATOM 947 N ILE A 65 10.026 13.551 -17.536 1.00 0.00 N ATOM 948 CA ILE A 65 9.325 14.001 -16.321 1.00 0.00 C ATOM 949 C ILE A 65 8.017 14.735 -16.650 1.00 0.00 C ATOM 950 O ILE A 65 7.006 14.552 -15.978 1.00 0.00 O ATOM 951 CB ILE A 65 10.305 14.874 -15.492 1.00 0.00 C ATOM 952 CG1 ILE A 65 9.852 14.961 -14.031 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.529 16.289 -16.074 1.00 0.00 C ATOM 954 CD1 ILE A 65 10.793 15.780 -13.144 1.00 0.00 C ATOM 0 H ILE A 65 10.969 13.934 -17.599 1.00 0.00 H new ATOM 0 HA ILE A 65 9.025 13.137 -15.728 1.00 0.00 H new ATOM 0 HB ILE A 65 11.270 14.369 -15.545 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.856 15.402 -13.994 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.769 13.953 -13.625 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.225 16.837 -15.439 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.942 16.208 -17.080 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.578 16.821 -16.114 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.408 15.798 -12.124 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.785 15.327 -13.150 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.857 16.799 -13.525 1.00 0.00 H new ATOM 966 N GLU A 66 8.015 15.505 -17.744 1.00 0.00 N ATOM 967 CA GLU A 66 6.870 16.327 -18.181 1.00 0.00 C ATOM 968 C GLU A 66 5.603 15.518 -18.534 1.00 0.00 C ATOM 969 O GLU A 66 4.499 16.066 -18.492 1.00 0.00 O ATOM 970 CB GLU A 66 7.280 17.193 -19.387 1.00 0.00 C ATOM 971 CG GLU A 66 8.387 18.202 -19.054 1.00 0.00 C ATOM 972 CD GLU A 66 8.631 19.158 -20.239 1.00 0.00 C ATOM 973 OE1 GLU A 66 9.415 18.815 -21.158 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.035 20.264 -20.263 1.00 0.00 O ATOM 0 H GLU A 66 8.821 15.579 -18.365 1.00 0.00 H new ATOM 0 HA GLU A 66 6.605 16.948 -17.325 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.619 16.544 -20.194 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.406 17.730 -19.755 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.109 18.775 -18.170 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.308 17.672 -18.813 1.00 0.00 H new ATOM 981 N ASN A 67 5.734 14.221 -18.855 1.00 0.00 N ATOM 982 CA ASN A 67 4.588 13.337 -19.137 1.00 0.00 C ATOM 983 C ASN A 67 4.000 12.656 -17.876 1.00 0.00 C ATOM 984 O ASN A 67 2.916 12.074 -17.944 1.00 0.00 O ATOM 985 CB ASN A 67 4.968 12.336 -20.258 1.00 0.00 C ATOM 986 CG ASN A 67 5.157 10.902 -19.773 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.367 10.014 -20.055 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.181 10.634 -19.000 1.00 0.00 N ATOM 0 H ASN A 67 6.638 13.754 -18.927 1.00 0.00 H new ATOM 0 HA ASN A 67 3.767 13.957 -19.497 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.191 12.350 -21.022 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.889 12.672 -20.734 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.314 9.689 -18.639 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.845 11.370 -18.760 1.00 0.00 H new ATOM 995 N PHE A 68 4.712 12.703 -16.744 1.00 0.00 N ATOM 996 CA PHE A 68 4.412 11.945 -15.523 1.00 0.00 C ATOM 997 C PHE A 68 3.675 12.770 -14.451 1.00 0.00 C ATOM 998 O PHE A 68 3.487 13.982 -14.589 1.00 0.00 O ATOM 999 CB PHE A 68 5.720 11.317 -15.016 1.00 0.00 C ATOM 1000 CG PHE A 68 6.203 10.106 -15.796 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.366 8.986 -15.970 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.504 10.083 -16.331 1.00 0.00 C ATOM 1003 CE1 PHE A 68 5.816 7.866 -16.690 1.00 0.00 C ATOM 1004 CE2 PHE A 68 7.953 8.961 -17.052 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.111 7.852 -17.231 1.00 0.00 C ATOM 0 H PHE A 68 5.541 13.290 -16.649 1.00 0.00 H new ATOM 0 HA PHE A 68 3.702 11.153 -15.762 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.501 12.077 -15.037 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.585 11.027 -13.974 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.372 8.988 -15.547 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.160 10.929 -16.188 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.165 7.015 -16.827 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.949 8.953 -17.469 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.458 6.991 -17.783 1.00 0.00 H new ATOM 1015 N ASN A 69 3.232 12.098 -13.380 1.00 0.00 N ATOM 1016 CA ASN A 69 2.328 12.641 -12.356 1.00 0.00 C ATOM 1017 C ASN A 69 2.911 12.569 -10.931 1.00 0.00 C ATOM 1018 O ASN A 69 2.661 11.607 -10.204 1.00 0.00 O ATOM 1019 CB ASN A 69 0.950 11.950 -12.504 1.00 0.00 C ATOM 1020 CG ASN A 69 0.981 10.433 -12.691 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.620 9.913 -13.738 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.389 9.676 -11.700 1.00 0.00 N ATOM 0 H ASN A 69 3.501 11.131 -13.196 1.00 0.00 H new ATOM 0 HA ASN A 69 2.200 13.711 -12.520 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.355 12.176 -11.619 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.433 12.391 -13.356 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.404 8.662 -11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.692 10.102 -10.824 1.00 0.00 H new ATOM 1029 N ALA A 70 3.636 13.612 -10.498 1.00 0.00 N ATOM 1030 CA ALA A 70 4.287 13.663 -9.179 1.00 0.00 C ATOM 1031 C ALA A 70 3.338 13.327 -8.010 1.00 0.00 C ATOM 1032 O ALA A 70 3.753 12.705 -7.035 1.00 0.00 O ATOM 1033 CB ALA A 70 4.874 15.059 -8.952 1.00 0.00 C ATOM 0 H ALA A 70 3.788 14.451 -11.058 1.00 0.00 H new ATOM 0 HA ALA A 70 5.066 12.901 -9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.356 15.097 -7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.609 15.275 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.076 15.800 -8.991 1.00 0.00 H new ATOM 1039 N ASP A 71 2.060 13.705 -8.131 1.00 0.00 N ATOM 1040 CA ASP A 71 1.026 13.530 -7.102 1.00 0.00 C ATOM 1041 C ASP A 71 0.759 12.063 -6.713 1.00 0.00 C ATOM 1042 O ASP A 71 0.286 11.801 -5.605 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.286 14.147 -7.605 1.00 0.00 C ATOM 1044 CG ASP A 71 -0.182 15.670 -7.774 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -0.186 16.394 -6.749 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -0.113 16.144 -8.935 1.00 0.00 O ATOM 0 H ASP A 71 1.705 14.156 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 71 1.400 14.027 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.556 13.695 -8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.087 13.915 -6.904 1.00 0.00 H new ATOM 1051 N ASP A 72 1.058 11.110 -7.607 1.00 0.00 N ATOM 1052 CA ASP A 72 0.891 9.671 -7.353 1.00 0.00 C ATOM 1053 C ASP A 72 2.210 8.966 -6.989 1.00 0.00 C ATOM 1054 O ASP A 72 2.243 7.744 -6.875 1.00 0.00 O ATOM 1055 CB ASP A 72 0.186 9.001 -8.540 1.00 0.00 C ATOM 1056 CG ASP A 72 -0.467 7.653 -8.171 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -1.175 7.573 -7.134 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -0.336 6.680 -8.953 1.00 0.00 O ATOM 0 H ASP A 72 1.426 11.318 -8.535 1.00 0.00 H new ATOM 0 HA ASP A 72 0.257 9.567 -6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.578 9.674 -8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.908 8.842 -9.341 1.00 0.00 H new ATOM 1063 N TYR A 73 3.300 9.712 -6.786 1.00 0.00 N ATOM 1064 CA TYR A 73 4.583 9.183 -6.317 1.00 0.00 C ATOM 1065 C TYR A 73 4.839 9.699 -4.898 1.00 0.00 C ATOM 1066 O TYR A 73 5.284 10.828 -4.709 1.00 0.00 O ATOM 1067 CB TYR A 73 5.719 9.533 -7.299 1.00 0.00 C ATOM 1068 CG TYR A 73 5.402 9.372 -8.778 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.693 8.249 -9.259 1.00 0.00 C ATOM 1070 CD2 TYR A 73 5.813 10.373 -9.678 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.337 8.165 -10.621 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.455 10.295 -11.036 1.00 0.00 C ATOM 1073 CZ TYR A 73 4.695 9.204 -11.506 1.00 0.00 C ATOM 1074 OH TYR A 73 4.320 9.166 -12.812 1.00 0.00 O ATOM 0 H TYR A 73 3.315 10.719 -6.946 1.00 0.00 H new ATOM 0 HA TYR A 73 4.550 8.094 -6.281 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.017 10.566 -7.123 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.580 8.908 -7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.423 7.452 -8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.405 11.204 -9.325 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.792 7.307 -10.986 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.763 11.072 -11.720 1.00 0.00 H new ATOM 0 HH TYR A 73 3.472 8.681 -12.895 1.00 0.00 H new ATOM 1084 N ASP A 74 4.547 8.878 -3.880 1.00 0.00 N ATOM 1085 CA ASP A 74 4.742 9.244 -2.468 1.00 0.00 C ATOM 1086 C ASP A 74 6.185 9.698 -2.190 1.00 0.00 C ATOM 1087 O ASP A 74 6.416 10.594 -1.376 1.00 0.00 O ATOM 1088 CB ASP A 74 4.403 8.049 -1.564 1.00 0.00 C ATOM 1089 CG ASP A 74 2.971 7.550 -1.769 1.00 0.00 C ATOM 1090 OD1 ASP A 74 2.009 8.184 -1.281 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.822 6.509 -2.450 1.00 0.00 O ATOM 0 H ASP A 74 4.168 7.940 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 74 4.075 10.078 -2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.100 7.236 -1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.539 8.336 -0.521 1.00 0.00 H new ATOM 1096 N VAL A 75 7.150 9.124 -2.917 1.00 0.00 N ATOM 1097 CA VAL A 75 8.562 9.510 -2.885 1.00 0.00 C ATOM 1098 C VAL A 75 9.086 9.792 -4.291 1.00 0.00 C ATOM 1099 O VAL A 75 8.857 9.012 -5.216 1.00 0.00 O ATOM 1100 CB VAL A 75 9.399 8.419 -2.202 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.858 8.852 -2.064 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.822 8.047 -0.832 1.00 0.00 C ATOM 0 H VAL A 75 6.963 8.356 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 75 8.650 10.429 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 75 9.360 7.534 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.428 8.061 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.275 9.044 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.913 9.760 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.438 7.272 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.812 8.928 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.804 7.676 -0.954 1.00 0.00 H new ATOM 1112 N VAL A 76 9.863 10.864 -4.439 1.00 0.00 N ATOM 1113 CA VAL A 76 10.613 11.173 -5.667 1.00 0.00 C ATOM 1114 C VAL A 76 12.104 11.252 -5.357 1.00 0.00 C ATOM 1115 O VAL A 76 12.510 11.817 -4.347 1.00 0.00 O ATOM 1116 CB VAL A 76 10.098 12.464 -6.321 1.00 0.00 C ATOM 1117 CG1 VAL A 76 11.005 12.980 -7.450 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.706 12.241 -6.921 1.00 0.00 C ATOM 0 H VAL A 76 9.995 11.556 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 76 10.457 10.370 -6.387 1.00 0.00 H new ATOM 0 HB VAL A 76 10.079 13.206 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.582 13.894 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.998 13.188 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.079 12.224 -8.232 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.355 13.165 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.757 11.457 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.014 11.942 -6.134 1.00 0.00 H new ATOM 1128 N ILE A 77 12.927 10.701 -6.242 1.00 0.00 N ATOM 1129 CA ILE A 77 14.382 10.637 -6.097 1.00 0.00 C ATOM 1130 C ILE A 77 15.039 11.263 -7.326 1.00 0.00 C ATOM 1131 O ILE A 77 14.672 10.911 -8.443 1.00 0.00 O ATOM 1132 CB ILE A 77 14.826 9.164 -5.966 1.00 0.00 C ATOM 1133 CG1 ILE A 77 14.049 8.331 -4.922 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.334 9.077 -5.698 1.00 0.00 C ATOM 1135 CD1 ILE A 77 14.181 8.800 -3.469 1.00 0.00 C ATOM 0 H ILE A 77 12.594 10.273 -7.106 1.00 0.00 H new ATOM 0 HA ILE A 77 14.684 11.183 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 77 14.584 8.714 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 77 12.993 8.337 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.388 7.297 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.628 8.031 -5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.877 9.537 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.570 9.600 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.597 8.146 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 77 15.228 8.766 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.812 9.822 -3.381 1.00 0.00 H new ATOM 1147 N SER A 78 16.024 12.137 -7.146 1.00 0.00 N ATOM 1148 CA SER A 78 16.885 12.628 -8.229 1.00 0.00 C ATOM 1149 C SER A 78 18.228 11.898 -8.197 1.00 0.00 C ATOM 1150 O SER A 78 18.754 11.584 -7.132 1.00 0.00 O ATOM 1151 CB SER A 78 17.073 14.141 -8.155 1.00 0.00 C ATOM 1152 OG SER A 78 17.756 14.556 -9.327 1.00 0.00 O ATOM 0 H SER A 78 16.254 12.532 -6.234 1.00 0.00 H new ATOM 0 HA SER A 78 16.396 12.417 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.108 14.642 -8.079 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.643 14.411 -7.266 1.00 0.00 H new ATOM 0 HG SER A 78 17.887 15.527 -9.303 1.00 0.00 H new ATOM 1158 N LEU A 79 18.765 11.581 -9.377 1.00 0.00 N ATOM 1159 CA LEU A 79 20.018 10.846 -9.578 1.00 0.00 C ATOM 1160 C LEU A 79 20.842 11.535 -10.674 1.00 0.00 C ATOM 1161 O LEU A 79 21.305 10.888 -11.611 1.00 0.00 O ATOM 1162 CB LEU A 79 19.733 9.349 -9.872 1.00 0.00 C ATOM 1163 CG LEU A 79 18.821 8.598 -8.873 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.346 8.678 -9.270 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.151 7.105 -8.869 1.00 0.00 C ATOM 0 H LEU A 79 18.320 11.840 -10.257 1.00 0.00 H new ATOM 0 HA LEU A 79 20.614 10.863 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.282 9.278 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.688 8.825 -9.919 1.00 0.00 H new ATOM 0 HG LEU A 79 18.992 9.069 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 79 16.743 8.137 -8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.033 9.722 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.210 8.232 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.501 6.591 -8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.997 6.696 -9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.191 6.963 -8.576 1.00 0.00 H new ATOM 1177 N CYS A 80 20.926 12.865 -10.620 1.00 0.00 N ATOM 1178 CA CYS A 80 21.480 13.707 -11.693 1.00 0.00 C ATOM 1179 C CYS A 80 22.833 14.376 -11.371 1.00 0.00 C ATOM 1180 O CYS A 80 23.523 14.810 -12.292 1.00 0.00 O ATOM 1181 CB CYS A 80 20.457 14.810 -12.022 1.00 0.00 C ATOM 1182 SG CYS A 80 18.821 14.132 -12.412 1.00 0.00 S ATOM 0 H CYS A 80 20.606 13.403 -9.815 1.00 0.00 H new ATOM 0 HA CYS A 80 21.670 13.037 -12.532 1.00 0.00 H new ATOM 0 HB2 CYS A 80 20.374 15.491 -11.175 1.00 0.00 H new ATOM 0 HB3 CYS A 80 20.817 15.396 -12.868 1.00 0.00 H new ATOM 0 HG CYS A 80 18.073 14.165 -11.349 1.00 0.00 H new ATOM 1188 N GLY A 81 23.212 14.474 -10.091 1.00 0.00 N ATOM 1189 CA GLY A 81 24.351 15.289 -9.657 1.00 0.00 C ATOM 1190 C GLY A 81 23.936 16.763 -9.520 1.00 0.00 C ATOM 1191 O GLY A 81 22.764 17.077 -9.305 1.00 0.00 O ATOM 0 H GLY A 81 22.738 13.991 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 81 24.727 14.921 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 81 25.165 15.199 -10.376 1.00 0.00 H new ATOM 1195 N CYS A 82 24.899 17.673 -9.656 1.00 0.00 N ATOM 1196 CA CYS A 82 24.666 19.123 -9.631 1.00 0.00 C ATOM 1197 C CYS A 82 23.820 19.640 -10.820 1.00 0.00 C ATOM 1198 O CYS A 82 23.711 18.995 -11.867 1.00 0.00 O ATOM 1199 CB CYS A 82 26.024 19.842 -9.530 1.00 0.00 C ATOM 1200 SG CYS A 82 27.125 19.410 -10.916 1.00 0.00 S ATOM 0 H CYS A 82 25.879 17.424 -9.789 1.00 0.00 H new ATOM 0 HA CYS A 82 24.063 19.351 -8.752 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.864 20.920 -9.516 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.505 19.579 -8.588 1.00 0.00 H new ATOM 0 HG CYS A 82 28.254 20.042 -10.787 1.00 0.00 H new ATOM 1206 N GLY A 83 23.237 20.837 -10.665 1.00 0.00 N ATOM 1207 CA GLY A 83 22.496 21.546 -11.724 1.00 0.00 C ATOM 1208 C GLY A 83 21.017 21.160 -11.886 1.00 0.00 C ATOM 1209 O GLY A 83 20.375 21.625 -12.830 1.00 0.00 O ATOM 0 H GLY A 83 23.266 21.351 -9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.552 22.616 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.002 21.372 -12.673 1.00 0.00 H new ATOM 1213 N VAL A 84 20.468 20.323 -10.994 1.00 0.00 N ATOM 1214 CA VAL A 84 19.070 19.838 -11.029 1.00 0.00 C ATOM 1215 C VAL A 84 18.431 19.956 -9.641 1.00 0.00 C ATOM 1216 O VAL A 84 18.966 19.426 -8.667 1.00 0.00 O ATOM 1217 CB VAL A 84 19.001 18.381 -11.542 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.555 17.867 -11.609 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.604 18.253 -12.948 1.00 0.00 C ATOM 0 H VAL A 84 20.995 19.951 -10.204 1.00 0.00 H new ATOM 0 HA VAL A 84 18.509 20.463 -11.724 1.00 0.00 H new ATOM 0 HB VAL A 84 19.573 17.786 -10.830 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.550 16.840 -11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.111 17.900 -10.614 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.976 18.495 -12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.540 17.216 -13.279 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.052 18.889 -13.640 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.649 18.562 -12.925 1.00 0.00 H new ATOM 1229 N ASN A 85 17.271 20.625 -9.554 1.00 0.00 N ATOM 1230 CA ASN A 85 16.584 20.906 -8.278 1.00 0.00 C ATOM 1231 C ASN A 85 15.065 20.598 -8.258 1.00 0.00 C ATOM 1232 O ASN A 85 14.457 20.691 -7.193 1.00 0.00 O ATOM 1233 CB ASN A 85 16.871 22.376 -7.901 1.00 0.00 C ATOM 1234 CG ASN A 85 18.353 22.649 -7.664 1.00 0.00 C ATOM 1235 OD1 ASN A 85 19.064 23.155 -8.521 1.00 0.00 O ATOM 1236 ND2 ASN A 85 18.874 22.306 -6.506 1.00 0.00 N ATOM 0 H ASN A 85 16.778 20.989 -10.369 1.00 0.00 H new ATOM 0 HA ASN A 85 16.986 20.218 -7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 85 16.509 23.027 -8.697 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.311 22.631 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 85 19.866 22.462 -6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.286 21.884 -5.787 1.00 0.00 H new ATOM 1243 N LEU A 86 14.453 20.239 -9.402 1.00 0.00 N ATOM 1244 CA LEU A 86 13.005 19.966 -9.570 1.00 0.00 C ATOM 1245 C LEU A 86 12.066 20.976 -8.851 1.00 0.00 C ATOM 1246 O LEU A 86 11.317 20.579 -7.958 1.00 0.00 O ATOM 1247 CB LEU A 86 12.708 18.495 -9.194 1.00 0.00 C ATOM 1248 CG LEU A 86 13.436 17.394 -9.969 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.875 16.045 -9.514 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.177 17.540 -11.466 1.00 0.00 C ATOM 0 H LEU A 86 14.971 20.125 -10.273 1.00 0.00 H new ATOM 0 HA LEU A 86 12.772 20.117 -10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.939 18.368 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.636 18.331 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 86 14.507 17.465 -9.781 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.378 15.242 -10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.041 15.924 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.806 16.007 -9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.701 16.750 -12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.107 17.463 -11.659 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.538 18.511 -11.805 1.00 0.00 H new ATOM 1262 N PRO A 87 12.032 22.264 -9.256 1.00 0.00 N ATOM 1263 CA PRO A 87 11.161 23.285 -8.655 1.00 0.00 C ATOM 1264 C PRO A 87 9.644 22.987 -8.501 1.00 0.00 C ATOM 1265 O PRO A 87 9.054 23.568 -7.580 1.00 0.00 O ATOM 1266 CB PRO A 87 11.363 24.541 -9.509 1.00 0.00 C ATOM 1267 CG PRO A 87 12.786 24.386 -10.037 1.00 0.00 C ATOM 1268 CD PRO A 87 12.888 22.881 -10.270 1.00 0.00 C ATOM 0 HA PRO A 87 11.465 23.365 -7.611 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.637 24.596 -10.320 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.250 25.450 -8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.942 24.951 -10.956 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.526 24.737 -9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.557 22.617 -11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 87 13.918 22.539 -10.173 1.00 0.00 H new ATOM 1276 N PRO A 88 8.972 22.155 -9.340 1.00 0.00 N ATOM 1277 CA PRO A 88 7.519 21.923 -9.234 1.00 0.00 C ATOM 1278 C PRO A 88 7.098 20.980 -8.083 1.00 0.00 C ATOM 1279 O PRO A 88 7.861 20.701 -7.158 1.00 0.00 O ATOM 1280 CB PRO A 88 7.087 21.394 -10.613 1.00 0.00 C ATOM 1281 CG PRO A 88 8.263 21.626 -11.550 1.00 0.00 C ATOM 1282 CD PRO A 88 9.451 21.601 -10.601 1.00 0.00 C ATOM 0 HA PRO A 88 7.014 22.853 -8.973 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.835 20.335 -10.561 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.199 21.916 -10.968 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.335 20.849 -12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.182 22.578 -12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.820 20.584 -10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.278 22.190 -10.996 1.00 0.00 H new ATOM 1290 N GLU A 89 5.886 20.413 -8.150 1.00 0.00 N ATOM 1291 CA GLU A 89 5.358 19.420 -7.192 1.00 0.00 C ATOM 1292 C GLU A 89 6.193 18.123 -7.063 1.00 0.00 C ATOM 1293 O GLU A 89 5.991 17.325 -6.148 1.00 0.00 O ATOM 1294 CB GLU A 89 3.880 19.097 -7.490 1.00 0.00 C ATOM 1295 CG GLU A 89 3.574 18.674 -8.937 1.00 0.00 C ATOM 1296 CD GLU A 89 3.076 19.868 -9.780 1.00 0.00 C ATOM 1297 OE1 GLU A 89 3.905 20.727 -10.161 1.00 0.00 O ATOM 1298 OE2 GLU A 89 1.855 19.960 -10.061 1.00 0.00 O ATOM 0 H GLU A 89 5.223 20.636 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 89 5.437 19.902 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.558 18.299 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.279 19.975 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.471 18.254 -9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.819 17.888 -8.936 1.00 0.00 H new ATOM 1305 N TRP A 90 7.196 17.935 -7.919 1.00 0.00 N ATOM 1306 CA TRP A 90 8.199 16.864 -7.838 1.00 0.00 C ATOM 1307 C TRP A 90 9.028 16.857 -6.540 1.00 0.00 C ATOM 1308 O TRP A 90 9.631 15.835 -6.219 1.00 0.00 O ATOM 1309 CB TRP A 90 9.075 16.947 -9.089 1.00 0.00 C ATOM 1310 CG TRP A 90 8.335 16.499 -10.313 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.608 17.273 -11.149 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.216 15.143 -10.831 1.00 0.00 C ATOM 1313 NE1 TRP A 90 6.949 16.472 -12.064 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.296 15.145 -11.919 1.00 0.00 C ATOM 1315 CE3 TRP A 90 8.844 13.925 -10.516 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 6.980 13.978 -12.630 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 8.599 12.768 -11.271 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.667 12.791 -12.320 1.00 0.00 C ATOM 0 H TRP A 90 7.342 18.547 -8.722 1.00 0.00 H new ATOM 0 HA TRP A 90 7.674 15.910 -7.801 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.418 17.972 -9.226 1.00 0.00 H new ATOM 0 HB3 TRP A 90 9.963 16.329 -8.954 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.550 18.351 -11.109 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.289 16.819 -12.759 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.526 13.879 -9.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.224 13.991 -13.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.130 11.855 -11.044 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.477 11.894 -12.891 1.00 0.00 H new ATOM 1329 N VAL A 91 9.011 17.945 -5.758 1.00 0.00 N ATOM 1330 CA VAL A 91 9.657 18.033 -4.429 1.00 0.00 C ATOM 1331 C VAL A 91 8.676 18.300 -3.275 1.00 0.00 C ATOM 1332 O VAL A 91 9.105 18.433 -2.130 1.00 0.00 O ATOM 1333 CB VAL A 91 10.827 19.038 -4.423 1.00 0.00 C ATOM 1334 CG1 VAL A 91 11.904 18.639 -5.431 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.379 20.482 -4.686 1.00 0.00 C ATOM 0 H VAL A 91 8.541 18.808 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 91 10.066 17.040 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 91 11.244 19.004 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.715 19.366 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.292 17.653 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.474 18.613 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.247 21.141 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.897 20.541 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.674 20.791 -3.914 1.00 0.00 H new ATOM 1345 N THR A 92 7.361 18.341 -3.541 1.00 0.00 N ATOM 1346 CA THR A 92 6.302 18.565 -2.529 1.00 0.00 C ATOM 1347 C THR A 92 5.636 17.263 -2.053 1.00 0.00 C ATOM 1348 O THR A 92 4.653 17.297 -1.308 1.00 0.00 O ATOM 1349 CB THR A 92 5.244 19.573 -3.012 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.506 19.024 -4.080 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.862 20.884 -3.504 1.00 0.00 C ATOM 0 H THR A 92 6.991 18.217 -4.483 1.00 0.00 H new ATOM 0 HA THR A 92 6.811 18.995 -1.667 1.00 0.00 H new ATOM 0 HB THR A 92 4.607 19.784 -2.153 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.095 18.470 -4.634 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.071 21.558 -3.833 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.422 21.349 -2.693 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.534 20.679 -4.337 1.00 0.00 H new ATOM 1359 N GLN A 93 6.174 16.104 -2.462 1.00 0.00 N ATOM 1360 CA GLN A 93 5.709 14.772 -2.055 1.00 0.00 C ATOM 1361 C GLN A 93 6.189 14.425 -0.624 1.00 0.00 C ATOM 1362 O GLN A 93 6.770 15.273 0.058 1.00 0.00 O ATOM 1363 CB GLN A 93 6.117 13.740 -3.125 1.00 0.00 C ATOM 1364 CG GLN A 93 5.651 14.131 -4.542 1.00 0.00 C ATOM 1365 CD GLN A 93 4.177 14.562 -4.601 1.00 0.00 C ATOM 1366 OE1 GLN A 93 3.272 13.911 -4.092 1.00 0.00 O ATOM 1367 NE2 GLN A 93 3.886 15.719 -5.162 1.00 0.00 N ATOM 0 H GLN A 93 6.967 16.068 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 93 4.621 14.755 -1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.201 13.630 -3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.697 12.768 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.275 14.945 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.802 13.285 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.624 16.277 -5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.923 16.056 -5.166 1.00 0.00 H new ATOM 1376 N GLU A 94 5.941 13.205 -0.126 1.00 0.00 N ATOM 1377 CA GLU A 94 6.220 12.879 1.291 1.00 0.00 C ATOM 1378 C GLU A 94 7.720 12.932 1.615 1.00 0.00 C ATOM 1379 O GLU A 94 8.114 13.396 2.690 1.00 0.00 O ATOM 1380 CB GLU A 94 5.704 11.490 1.711 1.00 0.00 C ATOM 1381 CG GLU A 94 4.250 11.195 1.336 1.00 0.00 C ATOM 1382 CD GLU A 94 3.616 10.171 2.299 1.00 0.00 C ATOM 1383 OE1 GLU A 94 4.216 9.097 2.544 1.00 0.00 O ATOM 1384 OE2 GLU A 94 2.511 10.435 2.835 1.00 0.00 O ATOM 0 H GLU A 94 5.553 12.434 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 94 5.683 13.645 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.341 10.731 1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.811 11.392 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.673 12.120 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.206 10.813 0.316 1.00 0.00 H new ATOM 1391 N ILE A 95 8.549 12.457 0.678 1.00 0.00 N ATOM 1392 CA ILE A 95 10.011 12.410 0.782 1.00 0.00 C ATOM 1393 C ILE A 95 10.621 12.761 -0.583 1.00 0.00 C ATOM 1394 O ILE A 95 10.155 12.285 -1.623 1.00 0.00 O ATOM 1395 CB ILE A 95 10.498 11.014 1.263 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.791 10.529 2.552 1.00 0.00 C ATOM 1397 CG2 ILE A 95 12.028 11.008 1.460 1.00 0.00 C ATOM 1398 CD1 ILE A 95 10.116 9.081 2.945 1.00 0.00 C ATOM 0 H ILE A 95 8.207 12.081 -0.206 1.00 0.00 H new ATOM 0 HA ILE A 95 10.338 13.138 1.525 1.00 0.00 H new ATOM 0 HB ILE A 95 10.229 10.311 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.070 11.188 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.713 10.624 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.348 10.022 1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.517 11.245 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 95 12.302 11.753 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.580 8.823 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.811 8.409 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.188 8.982 3.114 1.00 0.00 H new ATOM 1410 N PHE A 96 11.678 13.573 -0.573 1.00 0.00 N ATOM 1411 CA PHE A 96 12.527 13.831 -1.736 1.00 0.00 C ATOM 1412 C PHE A 96 14.005 13.612 -1.364 1.00 0.00 C ATOM 1413 O PHE A 96 14.448 14.055 -0.299 1.00 0.00 O ATOM 1414 CB PHE A 96 12.263 15.218 -2.340 1.00 0.00 C ATOM 1415 CG PHE A 96 13.220 15.558 -3.471 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.988 15.101 -4.787 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.398 16.274 -3.184 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.957 15.316 -5.786 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.350 16.513 -4.191 1.00 0.00 C ATOM 1420 CZ PHE A 96 15.134 16.025 -5.489 1.00 0.00 C ATOM 0 H PHE A 96 11.974 14.080 0.261 1.00 0.00 H new ATOM 0 HA PHE A 96 12.274 13.118 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.239 15.259 -2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.349 15.972 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 96 12.069 14.587 -5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.572 16.642 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.795 14.935 -6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.246 17.072 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.872 16.194 -6.259 1.00 0.00 H new ATOM 1430 N GLU A 97 14.764 12.932 -2.226 1.00 0.00 N ATOM 1431 CA GLU A 97 16.205 12.688 -2.053 1.00 0.00 C ATOM 1432 C GLU A 97 16.989 12.955 -3.351 1.00 0.00 C ATOM 1433 O GLU A 97 16.447 12.816 -4.446 1.00 0.00 O ATOM 1434 CB GLU A 97 16.485 11.248 -1.578 1.00 0.00 C ATOM 1435 CG GLU A 97 15.819 10.850 -0.249 1.00 0.00 C ATOM 1436 CD GLU A 97 16.276 9.460 0.245 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.476 9.117 0.086 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.447 8.716 0.819 1.00 0.00 O ATOM 0 H GLU A 97 14.390 12.525 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 97 16.543 13.386 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.153 10.557 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.563 11.120 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 97 16.053 11.597 0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.736 10.850 -0.374 1.00 0.00 H new ATOM 1445 N ASP A 98 18.280 13.283 -3.235 1.00 0.00 N ATOM 1446 CA ASP A 98 19.187 13.519 -4.367 1.00 0.00 C ATOM 1447 C ASP A 98 20.470 12.679 -4.224 1.00 0.00 C ATOM 1448 O ASP A 98 21.385 13.025 -3.470 1.00 0.00 O ATOM 1449 CB ASP A 98 19.469 15.025 -4.480 1.00 0.00 C ATOM 1450 CG ASP A 98 20.497 15.370 -5.575 1.00 0.00 C ATOM 1451 OD1 ASP A 98 20.586 14.642 -6.592 1.00 0.00 O ATOM 1452 OD2 ASP A 98 21.205 16.392 -5.414 1.00 0.00 O ATOM 0 H ASP A 98 18.736 13.395 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 98 18.717 13.196 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.536 15.548 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 98 19.833 15.393 -3.521 1.00 0.00 H new ATOM 1457 N TRP A 99 20.521 11.544 -4.928 1.00 0.00 N ATOM 1458 CA TRP A 99 21.610 10.563 -4.885 1.00 0.00 C ATOM 1459 C TRP A 99 22.679 10.906 -5.929 1.00 0.00 C ATOM 1460 O TRP A 99 22.716 10.348 -7.028 1.00 0.00 O ATOM 1461 CB TRP A 99 21.045 9.144 -5.062 1.00 0.00 C ATOM 1462 CG TRP A 99 19.948 8.703 -4.136 1.00 0.00 C ATOM 1463 CD1 TRP A 99 19.592 9.278 -2.964 1.00 0.00 C ATOM 1464 CD2 TRP A 99 19.042 7.573 -4.309 1.00 0.00 C ATOM 1465 NE1 TRP A 99 18.507 8.607 -2.433 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.110 7.565 -3.232 1.00 0.00 C ATOM 1467 CE3 TRP A 99 18.920 6.544 -5.265 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.093 6.605 -3.119 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 17.897 5.578 -5.172 1.00 0.00 C ATOM 1470 CH2 TRP A 99 16.984 5.607 -4.102 1.00 0.00 C ATOM 0 H TRP A 99 19.775 11.273 -5.569 1.00 0.00 H new ATOM 0 HA TRP A 99 22.097 10.599 -3.911 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.675 9.056 -6.084 1.00 0.00 H new ATOM 0 HB3 TRP A 99 21.871 8.440 -4.961 1.00 0.00 H new ATOM 0 HD1 TRP A 99 20.080 10.129 -2.513 1.00 0.00 H new ATOM 0 HE1 TRP A 99 18.056 8.856 -1.553 1.00 0.00 H new ATOM 0 HE3 TRP A 99 19.623 6.495 -6.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.404 6.633 -2.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.814 4.811 -5.927 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.202 4.865 -4.036 1.00 0.00 H new ATOM 1481 N GLN A 100 23.560 11.848 -5.585 1.00 0.00 N ATOM 1482 CA GLN A 100 24.653 12.276 -6.462 1.00 0.00 C ATOM 1483 C GLN A 100 25.740 11.181 -6.538 1.00 0.00 C ATOM 1484 O GLN A 100 26.374 10.859 -5.534 1.00 0.00 O ATOM 1485 CB GLN A 100 25.226 13.622 -5.978 1.00 0.00 C ATOM 1486 CG GLN A 100 24.162 14.732 -5.861 1.00 0.00 C ATOM 1487 CD GLN A 100 24.741 16.132 -5.631 1.00 0.00 C ATOM 1488 OE1 GLN A 100 25.942 16.369 -5.608 1.00 0.00 O ATOM 1489 NE2 GLN A 100 23.894 17.123 -5.464 1.00 0.00 N ATOM 0 H GLN A 100 23.536 12.336 -4.690 1.00 0.00 H new ATOM 0 HA GLN A 100 24.268 12.425 -7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.700 13.479 -5.007 1.00 0.00 H new ATOM 0 HB3 GLN A 100 26.005 13.946 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.563 14.743 -6.771 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.488 14.490 -5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.890 16.944 -5.480 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.241 18.071 -5.318 1.00 0.00 H new ATOM 1498 N LEU A 101 25.939 10.608 -7.731 1.00 0.00 N ATOM 1499 CA LEU A 101 26.921 9.550 -8.036 1.00 0.00 C ATOM 1500 C LEU A 101 27.652 9.868 -9.357 1.00 0.00 C ATOM 1501 O LEU A 101 27.207 10.719 -10.131 1.00 0.00 O ATOM 1502 CB LEU A 101 26.198 8.181 -8.111 1.00 0.00 C ATOM 1503 CG LEU A 101 25.561 7.648 -6.810 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.826 6.336 -7.088 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.595 7.366 -5.724 1.00 0.00 C ATOM 0 H LEU A 101 25.396 10.879 -8.551 1.00 0.00 H new ATOM 0 HA LEU A 101 27.668 9.505 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.415 8.253 -8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.914 7.440 -8.465 1.00 0.00 H new ATOM 0 HG LEU A 101 24.881 8.425 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.379 5.967 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 101 24.043 6.507 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.531 5.598 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.093 6.993 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.303 6.618 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 101 27.129 8.285 -5.483 1.00 0.00 H new ATOM 1517 N GLU A 102 28.757 9.169 -9.646 1.00 0.00 N ATOM 1518 CA GLU A 102 29.522 9.331 -10.891 1.00 0.00 C ATOM 1519 C GLU A 102 28.760 8.798 -12.114 1.00 0.00 C ATOM 1520 O GLU A 102 27.634 8.311 -12.006 1.00 0.00 O ATOM 1521 CB GLU A 102 30.933 8.739 -10.746 1.00 0.00 C ATOM 1522 CG GLU A 102 30.993 7.222 -10.535 1.00 0.00 C ATOM 1523 CD GLU A 102 32.428 6.772 -10.187 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.376 7.079 -10.952 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.616 6.110 -9.138 1.00 0.00 O ATOM 0 H GLU A 102 29.150 8.468 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 102 29.647 10.398 -11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 102 31.506 8.987 -11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.428 9.225 -9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.313 6.935 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.656 6.711 -11.437 1.00 0.00 H new ATOM 1532 N ASP A 103 29.331 8.966 -13.304 1.00 0.00 N ATOM 1533 CA ASP A 103 28.663 8.717 -14.590 1.00 0.00 C ATOM 1534 C ASP A 103 29.356 7.595 -15.395 1.00 0.00 C ATOM 1535 O ASP A 103 30.369 7.858 -16.046 1.00 0.00 O ATOM 1536 CB ASP A 103 28.549 10.053 -15.345 1.00 0.00 C ATOM 1537 CG ASP A 103 27.344 10.043 -16.290 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.402 9.449 -17.389 1.00 0.00 O ATOM 1539 OD2 ASP A 103 26.290 10.596 -15.898 1.00 0.00 O ATOM 0 H ASP A 103 30.294 9.286 -13.409 1.00 0.00 H new ATOM 0 HA ASP A 103 27.655 8.338 -14.423 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.451 10.872 -14.632 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.461 10.233 -15.914 1.00 0.00 H new ATOM 1544 N PRO A 104 28.849 6.337 -15.343 1.00 0.00 N ATOM 1545 CA PRO A 104 29.520 5.159 -15.919 1.00 0.00 C ATOM 1546 C PRO A 104 29.565 5.074 -17.450 1.00 0.00 C ATOM 1547 O PRO A 104 30.329 4.280 -17.994 1.00 0.00 O ATOM 1548 CB PRO A 104 28.771 3.950 -15.360 1.00 0.00 C ATOM 1549 CG PRO A 104 28.140 4.462 -14.075 1.00 0.00 C ATOM 1550 CD PRO A 104 27.760 5.880 -14.484 1.00 0.00 C ATOM 0 HA PRO A 104 30.573 5.213 -15.642 1.00 0.00 H new ATOM 0 HB2 PRO A 104 28.015 3.592 -16.059 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.447 3.117 -15.167 1.00 0.00 H new ATOM 0 HG2 PRO A 104 27.273 3.872 -13.778 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.838 4.447 -13.238 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.808 5.895 -15.014 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.649 6.525 -13.612 1.00 0.00 H new ATOM 1558 N ASP A 105 28.759 5.871 -18.149 1.00 0.00 N ATOM 1559 CA ASP A 105 28.643 5.893 -19.611 1.00 0.00 C ATOM 1560 C ASP A 105 30.011 6.119 -20.293 1.00 0.00 C ATOM 1561 O ASP A 105 30.579 7.216 -20.248 1.00 0.00 O ATOM 1562 CB ASP A 105 27.629 6.995 -19.951 1.00 0.00 C ATOM 1563 CG ASP A 105 27.300 7.173 -21.444 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.867 6.463 -22.311 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.436 8.042 -21.728 1.00 0.00 O ATOM 0 H ASP A 105 28.143 6.547 -17.697 1.00 0.00 H new ATOM 0 HA ASP A 105 28.298 4.931 -19.990 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.702 6.785 -19.418 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.010 7.942 -19.568 1.00 0.00 H new ATOM 1570 N GLY A 106 30.557 5.056 -20.902 1.00 0.00 N ATOM 1571 CA GLY A 106 31.867 5.073 -21.567 1.00 0.00 C ATOM 1572 C GLY A 106 33.081 4.975 -20.626 1.00 0.00 C ATOM 1573 O GLY A 106 34.200 5.261 -21.059 1.00 0.00 O ATOM 0 H GLY A 106 30.094 4.148 -20.947 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.908 4.245 -22.275 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.950 5.992 -22.147 1.00 0.00 H new ATOM 1577 N GLN A 107 32.880 4.590 -19.357 1.00 0.00 N ATOM 1578 CA GLN A 107 33.949 4.433 -18.355 1.00 0.00 C ATOM 1579 C GLN A 107 34.514 2.998 -18.368 1.00 0.00 C ATOM 1580 O GLN A 107 35.327 2.652 -19.227 1.00 0.00 O ATOM 1581 CB GLN A 107 33.476 4.878 -16.953 1.00 0.00 C ATOM 1582 CG GLN A 107 32.819 6.254 -16.854 1.00 0.00 C ATOM 1583 CD GLN A 107 33.696 7.472 -17.116 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.887 7.405 -17.393 1.00 0.00 O ATOM 1585 NE2 GLN A 107 33.108 8.643 -17.023 1.00 0.00 N ATOM 0 H GLN A 107 31.953 4.375 -18.990 1.00 0.00 H new ATOM 0 HA GLN A 107 34.771 5.095 -18.626 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.769 4.136 -16.581 1.00 0.00 H new ATOM 0 HB3 GLN A 107 34.336 4.863 -16.283 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.987 6.281 -17.558 1.00 0.00 H new ATOM 0 HG3 GLN A 107 32.395 6.353 -15.855 1.00 0.00 H new ATOM 0 HE21 GLN A 107 32.116 8.699 -16.792 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.643 9.497 -17.182 1.00 0.00 H new ATOM 1594 N SER A 108 34.072 2.156 -17.422 1.00 0.00 N ATOM 1595 CA SER A 108 34.356 0.717 -17.355 1.00 0.00 C ATOM 1596 C SER A 108 33.281 0.008 -16.531 1.00 0.00 C ATOM 1597 O SER A 108 32.541 0.642 -15.777 1.00 0.00 O ATOM 1598 CB SER A 108 35.735 0.455 -16.730 1.00 0.00 C ATOM 1599 OG SER A 108 36.121 -0.893 -16.957 1.00 0.00 O ATOM 0 H SER A 108 33.483 2.473 -16.652 1.00 0.00 H new ATOM 0 HA SER A 108 34.355 0.326 -18.373 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.473 1.131 -17.161 1.00 0.00 H new ATOM 0 HB3 SER A 108 35.703 0.658 -15.660 1.00 0.00 H new ATOM 0 HG SER A 108 37.002 -1.053 -16.558 1.00 0.00 H new ATOM 1605 N LEU A 109 33.235 -1.318 -16.614 1.00 0.00 N ATOM 1606 CA LEU A 109 32.293 -2.158 -15.869 1.00 0.00 C ATOM 1607 C LEU A 109 32.437 -1.993 -14.357 1.00 0.00 C ATOM 1608 O LEU A 109 31.445 -1.879 -13.653 1.00 0.00 O ATOM 1609 CB LEU A 109 32.519 -3.620 -16.278 1.00 0.00 C ATOM 1610 CG LEU A 109 32.356 -3.914 -17.782 1.00 0.00 C ATOM 1611 CD1 LEU A 109 32.414 -5.425 -17.987 1.00 0.00 C ATOM 1612 CD2 LEU A 109 31.053 -3.367 -18.365 1.00 0.00 C ATOM 0 H LEU A 109 33.863 -1.853 -17.213 1.00 0.00 H new ATOM 0 HA LEU A 109 31.278 -1.846 -16.116 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.523 -3.915 -15.973 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.821 -4.248 -15.724 1.00 0.00 H new ATOM 0 HG LEU A 109 33.166 -3.409 -18.308 1.00 0.00 H new ATOM 0 HD11 LEU A 109 32.300 -5.653 -19.047 1.00 0.00 H new ATOM 0 HD12 LEU A 109 33.374 -5.803 -17.635 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.609 -5.900 -17.425 1.00 0.00 H new ATOM 0 HD21 LEU A 109 31.000 -3.608 -19.427 1.00 0.00 H new ATOM 0 HD22 LEU A 109 30.206 -3.818 -17.848 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.023 -2.285 -18.236 1.00 0.00 H new ATOM 1624 N GLU A 110 33.664 -1.870 -13.858 1.00 0.00 N ATOM 1625 CA GLU A 110 33.932 -1.594 -12.436 1.00 0.00 C ATOM 1626 C GLU A 110 33.291 -0.277 -11.965 1.00 0.00 C ATOM 1627 O GLU A 110 32.764 -0.206 -10.853 1.00 0.00 O ATOM 1628 CB GLU A 110 35.455 -1.599 -12.214 1.00 0.00 C ATOM 1629 CG GLU A 110 35.842 -1.440 -10.740 1.00 0.00 C ATOM 1630 CD GLU A 110 37.366 -1.586 -10.553 1.00 0.00 C ATOM 1631 OE1 GLU A 110 38.096 -0.571 -10.666 1.00 0.00 O ATOM 1632 OE2 GLU A 110 37.844 -2.715 -10.283 1.00 0.00 O ATOM 0 H GLU A 110 34.508 -1.958 -14.424 1.00 0.00 H new ATOM 0 HA GLU A 110 33.473 -2.376 -11.831 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.870 -2.532 -12.595 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.904 -0.791 -12.792 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.519 -0.464 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.324 -2.189 -10.141 1.00 0.00 H new ATOM 1639 N VAL A 111 33.238 0.741 -12.826 1.00 0.00 N ATOM 1640 CA VAL A 111 32.564 2.019 -12.533 1.00 0.00 C ATOM 1641 C VAL A 111 31.044 1.862 -12.578 1.00 0.00 C ATOM 1642 O VAL A 111 30.357 2.380 -11.697 1.00 0.00 O ATOM 1643 CB VAL A 111 33.069 3.123 -13.479 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.326 4.445 -13.293 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.559 3.386 -13.234 1.00 0.00 C ATOM 0 H VAL A 111 33.662 0.707 -13.753 1.00 0.00 H new ATOM 0 HA VAL A 111 32.816 2.323 -11.517 1.00 0.00 H new ATOM 0 HB VAL A 111 32.891 2.762 -14.492 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.724 5.187 -13.986 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.264 4.297 -13.491 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.459 4.796 -12.270 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.906 4.169 -13.909 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.707 3.704 -12.202 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.125 2.472 -13.417 1.00 0.00 H new ATOM 1655 N PHE A 112 30.506 1.078 -13.521 1.00 0.00 N ATOM 1656 CA PHE A 112 29.075 0.731 -13.503 1.00 0.00 C ATOM 1657 C PHE A 112 28.693 -0.019 -12.224 1.00 0.00 C ATOM 1658 O PHE A 112 27.730 0.359 -11.565 1.00 0.00 O ATOM 1659 CB PHE A 112 28.705 -0.113 -14.727 1.00 0.00 C ATOM 1660 CG PHE A 112 28.278 0.655 -15.956 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.942 1.075 -16.080 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.200 0.931 -16.981 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.519 1.760 -17.232 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.781 1.624 -18.128 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.447 2.048 -18.247 1.00 0.00 C ATOM 0 H PHE A 112 31.030 0.675 -14.298 1.00 0.00 H new ATOM 0 HA PHE A 112 28.516 1.667 -13.531 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.563 -0.732 -14.990 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.898 -0.789 -14.447 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.238 0.870 -15.287 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.227 0.611 -16.886 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.488 2.063 -17.336 1.00 0.00 H new ATOM 0 HE2 PHE A 112 29.485 1.831 -18.920 1.00 0.00 H new ATOM 0 HZ PHE A 112 27.133 2.598 -19.122 1.00 0.00 H new ATOM 1675 N ARG A 113 29.474 -1.025 -11.822 1.00 0.00 N ATOM 1676 CA ARG A 113 29.274 -1.798 -10.577 1.00 0.00 C ATOM 1677 C ARG A 113 29.363 -0.905 -9.330 1.00 0.00 C ATOM 1678 O ARG A 113 28.542 -1.032 -8.425 1.00 0.00 O ATOM 1679 CB ARG A 113 30.311 -2.936 -10.514 1.00 0.00 C ATOM 1680 CG ARG A 113 30.096 -4.002 -11.607 1.00 0.00 C ATOM 1681 CD ARG A 113 31.263 -4.991 -11.627 1.00 0.00 C ATOM 1682 NE ARG A 113 31.157 -5.964 -12.731 1.00 0.00 N ATOM 1683 CZ ARG A 113 32.140 -6.442 -13.474 1.00 0.00 C ATOM 1684 NH1 ARG A 113 33.375 -6.040 -13.361 1.00 0.00 N ATOM 1685 NH2 ARG A 113 31.898 -7.354 -14.362 1.00 0.00 N ATOM 0 H ARG A 113 30.283 -1.338 -12.359 1.00 0.00 H new ATOM 0 HA ARG A 113 28.270 -2.222 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.312 -2.516 -10.615 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.262 -3.412 -9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.163 -4.535 -11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 113 30.003 -3.520 -12.580 1.00 0.00 H new ATOM 0 HD2 ARG A 113 32.200 -4.441 -11.719 1.00 0.00 H new ATOM 0 HD3 ARG A 113 31.299 -5.525 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 113 30.220 -6.306 -12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 113 33.618 -5.325 -12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 113 34.098 -6.440 -13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 113 30.948 -7.704 -14.488 1.00 0.00 H new ATOM 0 HH22 ARG A 113 32.657 -7.722 -14.935 1.00 0.00 H new ATOM 1699 N THR A 114 30.295 0.052 -9.331 1.00 0.00 N ATOM 1700 CA THR A 114 30.482 1.035 -8.240 1.00 0.00 C ATOM 1701 C THR A 114 29.270 1.959 -8.082 1.00 0.00 C ATOM 1702 O THR A 114 28.852 2.244 -6.959 1.00 0.00 O ATOM 1703 CB THR A 114 31.770 1.850 -8.470 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.897 0.999 -8.410 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.987 2.930 -7.412 1.00 0.00 C ATOM 0 H THR A 114 30.956 0.174 -10.099 1.00 0.00 H new ATOM 0 HA THR A 114 30.579 0.478 -7.308 1.00 0.00 H new ATOM 0 HB THR A 114 31.655 2.318 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.907 0.413 -9.195 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.909 3.470 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.148 3.625 -7.425 1.00 0.00 H new ATOM 0 HG23 THR A 114 32.059 2.466 -6.428 1.00 0.00 H new ATOM 1713 N VAL A 115 28.655 2.398 -9.188 1.00 0.00 N ATOM 1714 CA VAL A 115 27.383 3.156 -9.152 1.00 0.00 C ATOM 1715 C VAL A 115 26.202 2.250 -8.778 1.00 0.00 C ATOM 1716 O VAL A 115 25.444 2.589 -7.872 1.00 0.00 O ATOM 1717 CB VAL A 115 27.185 3.926 -10.475 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.793 4.555 -10.631 1.00 0.00 C ATOM 1719 CG2 VAL A 115 28.208 5.068 -10.537 1.00 0.00 C ATOM 0 H VAL A 115 29.016 2.243 -10.129 1.00 0.00 H new ATOM 0 HA VAL A 115 27.431 3.904 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 115 27.310 3.195 -11.274 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.735 5.077 -11.586 1.00 0.00 H new ATOM 0 HG12 VAL A 115 25.035 3.773 -10.598 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.620 5.262 -9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 115 28.080 5.621 -11.467 1.00 0.00 H new ATOM 0 HG22 VAL A 115 28.056 5.739 -9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 115 29.216 4.656 -10.496 1.00 0.00 H new ATOM 1729 N ARG A 116 26.081 1.071 -9.402 1.00 0.00 N ATOM 1730 CA ARG A 116 25.023 0.060 -9.176 1.00 0.00 C ATOM 1731 C ARG A 116 24.831 -0.274 -7.693 1.00 0.00 C ATOM 1732 O ARG A 116 23.712 -0.212 -7.202 1.00 0.00 O ATOM 1733 CB ARG A 116 25.372 -1.193 -10.016 1.00 0.00 C ATOM 1734 CG ARG A 116 24.297 -2.291 -9.988 1.00 0.00 C ATOM 1735 CD ARG A 116 24.767 -3.611 -10.616 1.00 0.00 C ATOM 1736 NE ARG A 116 25.791 -4.291 -9.783 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.673 -5.193 -10.181 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.659 -5.667 -11.386 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.599 -5.628 -9.380 1.00 0.00 N ATOM 0 H ARG A 116 26.748 0.775 -10.115 1.00 0.00 H new ATOM 0 HA ARG A 116 24.064 0.466 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.538 -0.889 -11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.311 -1.610 -9.652 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.999 -2.473 -8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.412 -1.938 -10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.912 -4.273 -10.751 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.177 -3.415 -11.607 1.00 0.00 H new ATOM 0 HE ARG A 116 25.817 -4.035 -8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 116 25.957 -5.345 -12.052 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.350 -6.362 -11.669 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.655 -5.274 -8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.270 -6.324 -9.706 1.00 0.00 H new ATOM 1753 N GLY A 117 25.912 -0.571 -6.973 1.00 0.00 N ATOM 1754 CA GLY A 117 25.870 -0.930 -5.542 1.00 0.00 C ATOM 1755 C GLY A 117 25.338 0.193 -4.645 1.00 0.00 C ATOM 1756 O GLY A 117 24.593 -0.066 -3.702 1.00 0.00 O ATOM 0 H GLY A 117 26.854 -0.571 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.243 -1.813 -5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 117 26.873 -1.202 -5.214 1.00 0.00 H new ATOM 1760 N GLN A 118 25.632 1.452 -4.989 1.00 0.00 N ATOM 1761 CA GLN A 118 25.141 2.615 -4.238 1.00 0.00 C ATOM 1762 C GLN A 118 23.675 2.926 -4.571 1.00 0.00 C ATOM 1763 O GLN A 118 22.868 3.101 -3.663 1.00 0.00 O ATOM 1764 CB GLN A 118 26.082 3.813 -4.454 1.00 0.00 C ATOM 1765 CG GLN A 118 27.460 3.554 -3.818 1.00 0.00 C ATOM 1766 CD GLN A 118 28.463 4.655 -4.142 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.629 5.622 -3.413 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.168 4.550 -5.249 1.00 0.00 N ATOM 0 H GLN A 118 26.214 1.694 -5.791 1.00 0.00 H new ATOM 0 HA GLN A 118 25.152 2.383 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.200 4.000 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.640 4.710 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.349 3.473 -2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.847 2.598 -4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.036 3.746 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.846 5.272 -5.492 1.00 0.00 H new ATOM 1777 N VAL A 119 23.277 2.886 -5.851 1.00 0.00 N ATOM 1778 CA VAL A 119 21.849 2.969 -6.250 1.00 0.00 C ATOM 1779 C VAL A 119 21.015 1.869 -5.568 1.00 0.00 C ATOM 1780 O VAL A 119 19.944 2.156 -5.033 1.00 0.00 O ATOM 1781 CB VAL A 119 21.692 2.926 -7.789 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.223 3.022 -8.202 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.408 4.093 -8.474 1.00 0.00 C ATOM 0 H VAL A 119 23.921 2.796 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 119 21.465 3.931 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 119 22.128 1.976 -8.097 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.148 2.989 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.669 2.186 -7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.803 3.960 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.270 4.021 -9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 119 21.992 5.035 -8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.472 4.055 -8.241 1.00 0.00 H new ATOM 1793 N LYS A 120 21.531 0.630 -5.512 1.00 0.00 N ATOM 1794 CA LYS A 120 20.911 -0.494 -4.787 1.00 0.00 C ATOM 1795 C LYS A 120 20.720 -0.172 -3.302 1.00 0.00 C ATOM 1796 O LYS A 120 19.600 -0.252 -2.808 1.00 0.00 O ATOM 1797 CB LYS A 120 21.781 -1.757 -4.959 1.00 0.00 C ATOM 1798 CG LYS A 120 21.133 -2.988 -4.312 1.00 0.00 C ATOM 1799 CD LYS A 120 22.052 -4.212 -4.394 1.00 0.00 C ATOM 1800 CE LYS A 120 21.285 -5.450 -3.907 1.00 0.00 C ATOM 1801 NZ LYS A 120 22.190 -6.623 -3.702 1.00 0.00 N ATOM 0 H LYS A 120 22.403 0.376 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 120 19.922 -0.672 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.941 -1.946 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.761 -1.586 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 120 20.902 -2.773 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.188 -3.207 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.391 -4.359 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.941 -4.056 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.776 -5.217 -2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.515 -5.709 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.633 -7.438 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.657 -6.862 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 22.910 -6.386 -2.990 1.00 0.00 H new ATOM 1815 N GLU A 121 21.785 0.215 -2.593 1.00 0.00 N ATOM 1816 CA GLU A 121 21.706 0.426 -1.139 1.00 0.00 C ATOM 1817 C GLU A 121 20.793 1.587 -0.762 1.00 0.00 C ATOM 1818 O GLU A 121 20.041 1.460 0.203 1.00 0.00 O ATOM 1819 CB GLU A 121 23.103 0.504 -0.489 1.00 0.00 C ATOM 1820 CG GLU A 121 23.751 1.893 -0.446 1.00 0.00 C ATOM 1821 CD GLU A 121 25.143 1.823 0.210 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.223 1.822 1.462 1.00 0.00 O ATOM 1823 OE2 GLU A 121 26.165 1.778 -0.513 1.00 0.00 O ATOM 0 H GLU A 121 22.706 0.388 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 121 21.230 -0.459 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.028 0.129 0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.770 -0.169 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.839 2.290 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.114 2.580 0.112 1.00 0.00 H new ATOM 1830 N ARG A 122 20.738 2.665 -1.558 1.00 0.00 N ATOM 1831 CA ARG A 122 19.774 3.743 -1.303 1.00 0.00 C ATOM 1832 C ARG A 122 18.334 3.245 -1.469 1.00 0.00 C ATOM 1833 O ARG A 122 17.531 3.478 -0.569 1.00 0.00 O ATOM 1834 CB ARG A 122 20.061 4.968 -2.183 1.00 0.00 C ATOM 1835 CG ARG A 122 21.415 5.672 -1.966 1.00 0.00 C ATOM 1836 CD ARG A 122 21.704 6.140 -0.535 1.00 0.00 C ATOM 1837 NE ARG A 122 20.663 7.050 0.002 1.00 0.00 N ATOM 1838 CZ ARG A 122 20.585 7.502 1.245 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.470 7.193 2.148 1.00 0.00 N ATOM 1840 NH2 ARG A 122 19.604 8.269 1.616 1.00 0.00 N ATOM 0 H ARG A 122 21.338 2.812 -2.369 1.00 0.00 H new ATOM 0 HA ARG A 122 19.891 4.060 -0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.001 4.659 -3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.268 5.698 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.210 4.992 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 122 21.463 6.537 -2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.787 5.269 0.116 1.00 0.00 H new ATOM 0 HD3 ARG A 122 22.668 6.648 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 122 19.939 7.357 -0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.253 6.586 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 122 21.380 7.558 3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 122 18.880 8.531 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 122 19.558 8.609 2.577 1.00 0.00 H new ATOM 1854 N VAL A 123 18.023 2.468 -2.509 1.00 0.00 N ATOM 1855 CA VAL A 123 16.713 1.798 -2.635 1.00 0.00 C ATOM 1856 C VAL A 123 16.402 0.862 -1.471 1.00 0.00 C ATOM 1857 O VAL A 123 15.326 0.993 -0.890 1.00 0.00 O ATOM 1858 CB VAL A 123 16.582 1.080 -3.995 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.460 0.043 -4.029 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.341 2.101 -5.106 1.00 0.00 C ATOM 0 H VAL A 123 18.660 2.282 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 123 15.960 2.585 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 123 17.522 0.550 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.425 -0.423 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.647 -0.720 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.507 0.531 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.250 1.584 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.422 2.651 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.179 2.797 -5.148 1.00 0.00 H new ATOM 1870 N GLU A 124 17.296 -0.047 -1.079 1.00 0.00 N ATOM 1871 CA GLU A 124 17.023 -0.973 0.037 1.00 0.00 C ATOM 1872 C GLU A 124 16.780 -0.242 1.353 1.00 0.00 C ATOM 1873 O GLU A 124 15.907 -0.631 2.130 1.00 0.00 O ATOM 1874 CB GLU A 124 18.145 -1.995 0.220 1.00 0.00 C ATOM 1875 CG GLU A 124 18.307 -2.944 -0.958 1.00 0.00 C ATOM 1876 CD GLU A 124 19.337 -4.033 -0.591 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.560 -3.792 -0.733 1.00 0.00 O ATOM 1878 OE2 GLU A 124 18.929 -5.127 -0.134 1.00 0.00 O ATOM 0 H GLU A 124 18.212 -0.167 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 124 16.109 -1.501 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 124 19.084 -1.465 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.950 -2.578 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.349 -3.401 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.638 -2.396 -1.840 1.00 0.00 H new ATOM 1885 N ASN A 125 17.479 0.874 1.566 1.00 0.00 N ATOM 1886 CA ASN A 125 17.271 1.685 2.759 1.00 0.00 C ATOM 1887 C ASN A 125 15.946 2.471 2.730 1.00 0.00 C ATOM 1888 O ASN A 125 15.390 2.778 3.782 1.00 0.00 O ATOM 1889 CB ASN A 125 18.522 2.552 3.019 1.00 0.00 C ATOM 1890 CG ASN A 125 18.262 4.048 3.050 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.083 4.651 4.097 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.170 4.669 1.900 1.00 0.00 N ATOM 0 H ASN A 125 18.190 1.233 0.929 1.00 0.00 H new ATOM 0 HA ASN A 125 17.152 1.024 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.963 2.254 3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.261 2.341 2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.947 5.664 1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.321 4.157 1.031 1.00 0.00 H new ATOM 1899 N LEU A 126 15.437 2.788 1.535 1.00 0.00 N ATOM 1900 CA LEU A 126 14.195 3.530 1.334 1.00 0.00 C ATOM 1901 C LEU A 126 12.965 2.621 1.417 1.00 0.00 C ATOM 1902 O LEU A 126 12.006 2.962 2.104 1.00 0.00 O ATOM 1903 CB LEU A 126 14.303 4.251 -0.023 1.00 0.00 C ATOM 1904 CG LEU A 126 13.016 4.953 -0.490 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.555 6.037 0.482 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.274 5.583 -1.851 1.00 0.00 C ATOM 0 H LEU A 126 15.892 2.527 0.660 1.00 0.00 H new ATOM 0 HA LEU A 126 14.059 4.262 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.101 4.991 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.599 3.525 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 126 12.226 4.204 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.643 6.500 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.359 5.592 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.333 6.794 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.370 6.085 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.083 6.308 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.553 4.807 -2.564 1.00 0.00 H new ATOM 1918 N ILE A 127 12.967 1.444 0.781 1.00 0.00 N ATOM 1919 CA ILE A 127 11.786 0.556 0.812 1.00 0.00 C ATOM 1920 C ILE A 127 11.466 0.048 2.218 1.00 0.00 C ATOM 1921 O ILE A 127 10.297 -0.132 2.544 1.00 0.00 O ATOM 1922 CB ILE A 127 11.892 -0.605 -0.197 1.00 0.00 C ATOM 1923 CG1 ILE A 127 13.119 -1.515 0.046 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.854 -0.021 -1.622 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.390 -2.537 -1.060 1.00 0.00 C ATOM 0 H ILE A 127 13.756 1.083 0.245 1.00 0.00 H new ATOM 0 HA ILE A 127 10.945 1.175 0.500 1.00 0.00 H new ATOM 0 HB ILE A 127 11.038 -1.268 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 127 14.002 -0.887 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.978 -2.047 0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.928 -0.830 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 127 10.917 0.516 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.690 0.665 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.268 -3.129 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.528 -3.195 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.567 -2.016 -2.001 1.00 0.00 H new ATOM 1937 N ALA A 128 12.474 -0.083 3.083 1.00 0.00 N ATOM 1938 CA ALA A 128 12.251 -0.423 4.484 1.00 0.00 C ATOM 1939 C ALA A 128 11.567 0.713 5.287 1.00 0.00 C ATOM 1940 O ALA A 128 10.940 0.448 6.315 1.00 0.00 O ATOM 1941 CB ALA A 128 13.597 -0.830 5.092 1.00 0.00 C ATOM 0 H ALA A 128 13.455 0.042 2.834 1.00 0.00 H new ATOM 0 HA ALA A 128 11.549 -1.255 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.459 -1.090 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.994 -1.691 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.298 0.001 5.013 1.00 0.00 H new ATOM 1947 N LYS A 129 11.658 1.968 4.811 1.00 0.00 N ATOM 1948 CA LYS A 129 10.996 3.153 5.397 1.00 0.00 C ATOM 1949 C LYS A 129 9.559 3.341 4.897 1.00 0.00 C ATOM 1950 O LYS A 129 8.676 3.606 5.713 1.00 0.00 O ATOM 1951 CB LYS A 129 11.823 4.425 5.114 1.00 0.00 C ATOM 1952 CG LYS A 129 13.174 4.430 5.842 1.00 0.00 C ATOM 1953 CD LYS A 129 14.037 5.616 5.376 1.00 0.00 C ATOM 1954 CE LYS A 129 15.247 5.876 6.287 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.243 4.767 6.290 1.00 0.00 N ATOM 0 H LYS A 129 12.210 2.195 3.984 1.00 0.00 H new ATOM 0 HA LYS A 129 10.941 2.981 6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.993 4.511 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.249 5.301 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.013 4.491 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.699 3.494 5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.388 5.426 4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.420 6.514 5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.740 6.795 5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.895 6.040 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.835 4.835 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.746 3.854 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.844 4.838 5.444 1.00 0.00 H new ATOM 1969 N ILE A 130 9.326 3.218 3.581 1.00 0.00 N ATOM 1970 CA ILE A 130 8.023 3.545 2.953 1.00 0.00 C ATOM 1971 C ILE A 130 7.123 2.345 2.572 1.00 0.00 C ATOM 1972 O ILE A 130 6.049 2.568 2.013 1.00 0.00 O ATOM 1973 CB ILE A 130 8.136 4.640 1.859 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.191 4.405 0.763 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.412 6.007 2.506 1.00 0.00 C ATOM 1976 CD1 ILE A 130 8.946 3.142 -0.057 1.00 0.00 C ATOM 0 H ILE A 130 10.029 2.891 2.918 1.00 0.00 H new ATOM 0 HA ILE A 130 7.452 3.993 3.767 1.00 0.00 H new ATOM 0 HB ILE A 130 7.170 4.602 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.206 5.266 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.176 4.343 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.489 6.768 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.596 6.261 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.347 5.963 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.727 3.040 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.960 2.273 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.975 3.210 -0.548 1.00 0.00 H new ATOM 1988 N SER A 131 7.506 1.096 2.880 1.00 0.00 N ATOM 1989 CA SER A 131 6.614 -0.082 2.759 1.00 0.00 C ATOM 1990 C SER A 131 5.301 0.123 3.542 1.00 0.00 C ATOM 1991 O SER A 131 5.357 0.405 4.766 1.00 0.00 O ATOM 1992 CB SER A 131 7.335 -1.344 3.247 1.00 0.00 C ATOM 1993 OG SER A 131 6.452 -2.454 3.171 1.00 0.00 O ATOM 1994 OXT SER A 131 4.207 0.037 2.927 1.00 0.00 O ATOM 0 H SER A 131 8.440 0.868 3.220 1.00 0.00 H new ATOM 0 HA SER A 131 6.358 -0.203 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.220 -1.528 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.676 -1.207 4.273 1.00 0.00 H new ATOM 0 HG SER A 131 6.913 -3.261 3.481 1.00 0.00 H new TER 2000 SER A 131