USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 704 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 49 HIS : no HD1:sc= -19.5! C(o=-20!,f=-26!) USER MOD Set 1.2: A 51 TYR OH : rot -145:sc= -0.465! USER MOD Set 2.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 CYS SG : rot 132:sc= -3.23! USER MOD Set 2.3: A 47 THR OG1 : rot -91:sc= 0.0528 USER MOD Set 2.4: A 48 CYS SG : rot -133:sc= -6.93! USER MOD Set 2.5: A 86 CYS SG : rot -110:sc= -14.9! USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 85 SER OG : rot 50:sc= -2.78! USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0.458 USER MOD Set 4.2: A 25 GLN : amide:sc= -2.32 K(o=-1.9,f=-0.52) USER MOD Single : A 1 SER N :NH3+ 156:sc= 0.92 (180deg=0.383) USER MOD Single : A 1 SER OG : rot -152:sc= 1.25 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 141:sc= -1.76! USER MOD Single : A 7 SER OG : rot 165:sc= -1.94! USER MOD Single : A 8 HIS : no HE2:sc= -0.303 K(o=-0.3,f=-2.1!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 157:sc= -7.59! (180deg=-8.56!) USER MOD Single : A 29 SER OG : rot 94:sc= 1.23 USER MOD Single : A 30 ASN : amide:sc= -7.24! C(o=-7.2!,f=-5.4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -7.39! C(o=-7.4!,f=-17!) USER MOD Single : A 57 THR OG1 : rot -120:sc= -0.677 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.58! C(o=-2.6!,f=-10!) USER MOD Single : A 70 MET CE :methyl -138:sc= -19.8! (180deg=-27.8!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.27! C(o=-1.3!,f=-9.7!) USER MOD Single : A 82 SER OG : rot -64:sc= -7.01! USER MOD Single : A 87 GLN : amide:sc= -13.3! C(o=-13!,f=-19!) USER MOD Single : A 90 MET CE :methyl -151:sc= -10.6! (180deg=-13.8!) USER MOD Single : A 91 THR OG1 : rot -40:sc= -4.05! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.942 -11.014 -9.540 1.00 0.00 N ATOM 2 CA SER A 1 3.126 -9.596 -9.964 1.00 0.00 C ATOM 3 C SER A 1 4.376 -9.004 -9.314 1.00 0.00 C ATOM 4 O SER A 1 4.744 -9.356 -8.211 1.00 0.00 O ATOM 5 CB SER A 1 1.878 -8.858 -9.474 1.00 0.00 C ATOM 6 OG SER A 1 0.976 -9.785 -8.882 1.00 0.00 O ATOM 0 H1 SER A 1 1.940 -11.277 -9.632 1.00 0.00 H new ATOM 0 H2 SER A 1 3.519 -11.634 -10.143 1.00 0.00 H new ATOM 0 H3 SER A 1 3.239 -11.121 -8.549 1.00 0.00 H new ATOM 0 HA SER A 1 3.253 -9.511 -11.043 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.157 -8.093 -8.749 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.395 -8.347 -10.307 1.00 0.00 H new ATOM 0 HG SER A 1 0.058 -9.455 -8.977 1.00 0.00 H new ATOM 14 N LYS A 2 5.024 -8.098 -9.989 1.00 0.00 N ATOM 15 CA LYS A 2 6.243 -7.465 -9.417 1.00 0.00 C ATOM 16 C LYS A 2 5.849 -6.221 -8.626 1.00 0.00 C ATOM 17 O LYS A 2 5.442 -5.225 -9.192 1.00 0.00 O ATOM 18 CB LYS A 2 7.085 -7.071 -10.630 1.00 0.00 C ATOM 19 CG LYS A 2 8.563 -7.028 -10.236 1.00 0.00 C ATOM 20 CD LYS A 2 9.259 -8.301 -10.723 1.00 0.00 C ATOM 21 CE LYS A 2 9.828 -8.068 -12.123 1.00 0.00 C ATOM 22 NZ LYS A 2 11.307 -8.142 -11.955 1.00 0.00 N ATOM 0 H LYS A 2 4.760 -7.767 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 2 6.782 -8.128 -8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.934 -7.787 -11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.769 -6.097 -11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.041 -6.150 -10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.659 -6.940 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.058 -8.577 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.552 -9.131 -10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.472 -8.823 -12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.523 -7.098 -12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.769 -7.992 -12.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.618 -7.408 -11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.568 -9.079 -11.586 1.00 0.00 H new ATOM 36 N VAL A 3 5.955 -6.257 -7.329 1.00 0.00 N ATOM 37 CA VAL A 3 5.569 -5.061 -6.541 1.00 0.00 C ATOM 38 C VAL A 3 6.799 -4.393 -5.938 1.00 0.00 C ATOM 39 O VAL A 3 7.748 -5.038 -5.541 1.00 0.00 O ATOM 40 CB VAL A 3 4.644 -5.576 -5.447 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.493 -4.504 -4.371 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.278 -5.876 -6.049 1.00 0.00 C ATOM 0 H VAL A 3 6.289 -7.054 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 3 5.080 -4.310 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 3 5.061 -6.482 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.831 -4.868 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.470 -4.275 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.070 -3.602 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.610 -6.245 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.863 -4.965 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.381 -6.632 -6.827 1.00 0.00 H new ATOM 52 N VAL A 4 6.772 -3.097 -5.860 1.00 0.00 N ATOM 53 CA VAL A 4 7.925 -2.358 -5.270 1.00 0.00 C ATOM 54 C VAL A 4 7.423 -1.357 -4.237 1.00 0.00 C ATOM 55 O VAL A 4 6.573 -0.535 -4.510 1.00 0.00 O ATOM 56 CB VAL A 4 8.608 -1.658 -6.438 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.505 -0.532 -5.916 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.458 -2.669 -7.210 1.00 0.00 C ATOM 0 H VAL A 4 6.000 -2.512 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 4 8.622 -3.019 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 4 7.850 -1.237 -7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.991 -0.035 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.900 0.190 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.263 -0.949 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.947 -2.170 -8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.213 -3.091 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.820 -3.468 -7.588 1.00 0.00 H new ATOM 68 N TYR A 5 7.932 -1.448 -3.048 1.00 0.00 N ATOM 69 CA TYR A 5 7.479 -0.544 -1.959 1.00 0.00 C ATOM 70 C TYR A 5 8.440 0.609 -1.721 1.00 0.00 C ATOM 71 O TYR A 5 9.640 0.444 -1.702 1.00 0.00 O ATOM 72 CB TYR A 5 7.445 -1.446 -0.741 1.00 0.00 C ATOM 73 CG TYR A 5 6.577 -2.624 -1.059 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.210 -2.421 -1.282 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.116 -3.918 -1.129 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.381 -3.509 -1.572 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.287 -4.985 -1.410 1.00 0.00 C ATOM 78 CZ TYR A 5 4.920 -4.795 -1.632 1.00 0.00 C ATOM 79 OH TYR A 5 4.108 -5.877 -1.908 1.00 0.00 O ATOM 0 H TYR A 5 8.652 -2.118 -2.778 1.00 0.00 H new ATOM 0 HA TYR A 5 6.522 -0.079 -2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.452 -1.774 -0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.054 -0.906 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.796 -1.425 -1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.171 -4.078 -0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.327 -3.355 -1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.701 -5.981 -1.459 1.00 0.00 H new ATOM 0 HH TYR A 5 4.584 -6.502 -2.494 1.00 0.00 H new ATOM 89 N VAL A 6 7.910 1.777 -1.507 1.00 0.00 N ATOM 90 CA VAL A 6 8.799 2.947 -1.230 1.00 0.00 C ATOM 91 C VAL A 6 8.464 3.542 0.132 1.00 0.00 C ATOM 92 O VAL A 6 7.331 3.870 0.405 1.00 0.00 O ATOM 93 CB VAL A 6 8.519 3.976 -2.324 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.697 4.952 -2.414 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.340 3.273 -3.664 1.00 0.00 C ATOM 0 H VAL A 6 6.910 1.977 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 6 9.848 2.651 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 6 7.607 4.521 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.501 5.688 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.822 5.461 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.607 4.403 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.141 4.013 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.249 2.724 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.502 2.578 -3.601 1.00 0.00 H new ATOM 105 N SER A 7 9.432 3.710 0.982 1.00 0.00 N ATOM 106 CA SER A 7 9.136 4.314 2.304 1.00 0.00 C ATOM 107 C SER A 7 9.039 5.828 2.129 1.00 0.00 C ATOM 108 O SER A 7 8.851 6.319 1.033 1.00 0.00 O ATOM 109 CB SER A 7 10.322 3.945 3.192 1.00 0.00 C ATOM 110 OG SER A 7 11.375 4.878 2.983 1.00 0.00 O ATOM 0 H SER A 7 10.407 3.458 0.821 1.00 0.00 H new ATOM 0 HA SER A 7 8.200 3.963 2.739 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.021 3.948 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.664 2.936 2.961 1.00 0.00 H new ATOM 0 HG SER A 7 12.031 4.798 3.706 1.00 0.00 H new ATOM 116 N HIS A 8 9.195 6.575 3.177 1.00 0.00 N ATOM 117 CA HIS A 8 9.140 8.059 3.025 1.00 0.00 C ATOM 118 C HIS A 8 10.563 8.620 3.052 1.00 0.00 C ATOM 119 O HIS A 8 10.780 9.807 2.905 1.00 0.00 O ATOM 120 CB HIS A 8 8.291 8.610 4.185 1.00 0.00 C ATOM 121 CG HIS A 8 8.386 7.731 5.394 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.268 7.147 5.941 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.442 7.333 6.171 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.662 6.429 7.007 1.00 0.00 C ATOM 125 NE2 HIS A 8 8.983 6.507 7.193 1.00 0.00 N ATOM 0 H HIS A 8 9.357 6.234 4.125 1.00 0.00 H new ATOM 0 HA HIS A 8 8.689 8.352 2.077 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.625 9.616 4.437 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.250 8.689 3.871 1.00 0.00 H new ATOM 0 HD1 HIS A 8 6.312 7.242 5.599 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.472 7.617 6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.993 5.859 7.636 1.00 0.00 H new ATOM 133 N ASP A 9 11.538 7.762 3.217 1.00 0.00 N ATOM 134 CA ASP A 9 12.953 8.224 3.228 1.00 0.00 C ATOM 135 C ASP A 9 13.591 7.947 1.857 1.00 0.00 C ATOM 136 O ASP A 9 14.718 8.320 1.598 1.00 0.00 O ATOM 137 CB ASP A 9 13.618 7.418 4.364 1.00 0.00 C ATOM 138 CG ASP A 9 14.818 6.611 3.849 1.00 0.00 C ATOM 139 OD1 ASP A 9 14.600 5.683 3.089 1.00 0.00 O ATOM 140 OD2 ASP A 9 15.931 6.938 4.226 1.00 0.00 O ATOM 0 H ASP A 9 11.411 6.758 3.345 1.00 0.00 H new ATOM 0 HA ASP A 9 13.064 9.295 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.945 8.097 5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.887 6.743 4.809 1.00 0.00 H new ATOM 145 N GLY A 10 12.871 7.300 0.978 1.00 0.00 N ATOM 146 CA GLY A 10 13.424 7.004 -0.374 1.00 0.00 C ATOM 147 C GLY A 10 13.689 5.502 -0.525 1.00 0.00 C ATOM 148 O GLY A 10 13.582 4.954 -1.604 1.00 0.00 O ATOM 0 H GLY A 10 11.922 6.964 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.724 7.335 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.349 7.560 -0.525 1.00 0.00 H new ATOM 152 N THR A 11 14.034 4.827 0.539 1.00 0.00 N ATOM 153 CA THR A 11 14.303 3.370 0.433 1.00 0.00 C ATOM 154 C THR A 11 13.155 2.685 -0.298 1.00 0.00 C ATOM 155 O THR A 11 11.995 2.877 0.008 1.00 0.00 O ATOM 156 CB THR A 11 14.428 2.864 1.876 1.00 0.00 C ATOM 157 OG1 THR A 11 15.289 1.735 1.902 1.00 0.00 O ATOM 158 CG2 THR A 11 13.054 2.467 2.428 1.00 0.00 C ATOM 0 H THR A 11 14.140 5.223 1.473 1.00 0.00 H new ATOM 0 HA THR A 11 15.210 3.156 -0.133 1.00 0.00 H new ATOM 0 HB THR A 11 14.837 3.662 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.373 1.409 2.822 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.163 2.111 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.392 3.333 2.413 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.629 1.675 1.811 1.00 0.00 H new ATOM 166 N ARG A 12 13.483 1.898 -1.264 1.00 0.00 N ATOM 167 CA ARG A 12 12.428 1.189 -2.043 1.00 0.00 C ATOM 168 C ARG A 12 12.601 -0.331 -1.939 1.00 0.00 C ATOM 169 O ARG A 12 13.686 -0.857 -2.082 1.00 0.00 O ATOM 170 CB ARG A 12 12.628 1.651 -3.487 1.00 0.00 C ATOM 171 CG ARG A 12 12.603 3.179 -3.541 1.00 0.00 C ATOM 172 CD ARG A 12 12.377 3.636 -4.984 1.00 0.00 C ATOM 173 NE ARG A 12 13.705 3.495 -5.643 1.00 0.00 N ATOM 174 CZ ARG A 12 14.123 4.412 -6.473 1.00 0.00 C ATOM 175 NH1 ARG A 12 14.474 5.586 -6.024 1.00 0.00 N ATOM 176 NH2 ARG A 12 14.188 4.156 -7.751 1.00 0.00 N ATOM 0 H ARG A 12 14.441 1.707 -1.558 1.00 0.00 H new ATOM 0 HA ARG A 12 11.428 1.413 -1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.578 1.278 -3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.844 1.241 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.811 3.563 -2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.543 3.582 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.623 3.024 -5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.025 4.667 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 12 14.288 2.682 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.422 5.787 -5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.801 6.303 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.912 3.239 -8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.515 4.873 -8.399 1.00 0.00 H new ATOM 190 N ARG A 13 11.529 -1.038 -1.701 1.00 0.00 N ATOM 191 CA ARG A 13 11.612 -2.524 -1.599 1.00 0.00 C ATOM 192 C ARG A 13 10.894 -3.163 -2.789 1.00 0.00 C ATOM 193 O ARG A 13 10.033 -2.562 -3.391 1.00 0.00 O ATOM 194 CB ARG A 13 10.884 -2.879 -0.304 1.00 0.00 C ATOM 195 CG ARG A 13 11.441 -4.189 0.251 1.00 0.00 C ATOM 196 CD ARG A 13 11.915 -3.970 1.690 1.00 0.00 C ATOM 197 NE ARG A 13 12.939 -2.895 1.600 1.00 0.00 N ATOM 198 CZ ARG A 13 14.166 -3.130 1.975 1.00 0.00 C ATOM 199 NH1 ARG A 13 14.396 -3.714 3.119 1.00 0.00 N ATOM 200 NH2 ARG A 13 15.162 -2.781 1.207 1.00 0.00 N ATOM 0 H ARG A 13 10.595 -0.648 -1.572 1.00 0.00 H new ATOM 0 HA ARG A 13 12.642 -2.880 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.009 -2.080 0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.814 -2.976 -0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.675 -4.964 0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.269 -4.536 -0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.089 -3.675 2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.337 -4.883 2.109 1.00 0.00 H new ATOM 0 HE ARG A 13 12.682 -1.974 1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.617 -3.986 3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.355 -3.899 3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.981 -2.324 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.121 -2.965 1.501 1.00 0.00 H new ATOM 214 N GLU A 14 11.231 -4.374 -3.134 1.00 0.00 N ATOM 215 CA GLU A 14 10.543 -5.031 -4.284 1.00 0.00 C ATOM 216 C GLU A 14 10.074 -6.437 -3.893 1.00 0.00 C ATOM 217 O GLU A 14 10.851 -7.255 -3.444 1.00 0.00 O ATOM 218 CB GLU A 14 11.596 -5.102 -5.391 1.00 0.00 C ATOM 219 CG GLU A 14 12.223 -3.721 -5.588 1.00 0.00 C ATOM 220 CD GLU A 14 12.954 -3.679 -6.932 1.00 0.00 C ATOM 221 OE1 GLU A 14 13.603 -4.659 -7.261 1.00 0.00 O ATOM 222 OE2 GLU A 14 12.853 -2.670 -7.609 1.00 0.00 O ATOM 0 H GLU A 14 11.948 -4.936 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 14 9.657 -4.481 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.365 -5.828 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.139 -5.442 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.451 -2.952 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.919 -3.507 -4.777 1.00 0.00 H new ATOM 229 N LEU A 15 8.810 -6.729 -4.060 1.00 0.00 N ATOM 230 CA LEU A 15 8.315 -8.089 -3.691 1.00 0.00 C ATOM 231 C LEU A 15 7.747 -8.821 -4.899 1.00 0.00 C ATOM 232 O LEU A 15 7.171 -8.232 -5.792 1.00 0.00 O ATOM 233 CB LEU A 15 7.182 -7.868 -2.686 1.00 0.00 C ATOM 234 CG LEU A 15 7.727 -7.736 -1.261 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.575 -7.755 -0.268 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.587 -8.902 -0.910 1.00 0.00 C ATOM 0 H LEU A 15 8.105 -6.092 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 15 9.132 -8.689 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.627 -6.968 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.481 -8.701 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 15 8.293 -6.806 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.966 -7.661 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.902 -6.923 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.030 -8.695 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.962 -8.785 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.002 -9.819 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.427 -8.956 -1.602 1.00 0.00 H new ATOM 248 N ASP A 16 7.858 -10.116 -4.894 1.00 0.00 N ATOM 249 CA ASP A 16 7.277 -10.922 -5.993 1.00 0.00 C ATOM 250 C ASP A 16 5.984 -11.536 -5.462 1.00 0.00 C ATOM 251 O ASP A 16 5.979 -12.619 -4.911 1.00 0.00 O ATOM 252 CB ASP A 16 8.314 -12.001 -6.305 1.00 0.00 C ATOM 253 CG ASP A 16 9.640 -11.341 -6.690 1.00 0.00 C ATOM 254 OD1 ASP A 16 9.791 -10.994 -7.849 1.00 0.00 O ATOM 255 OD2 ASP A 16 10.480 -11.194 -5.818 1.00 0.00 O ATOM 0 H ASP A 16 8.331 -10.654 -4.168 1.00 0.00 H new ATOM 0 HA ASP A 16 7.050 -10.349 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.455 -12.646 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.961 -12.634 -7.119 1.00 0.00 H new ATOM 260 N VAL A 17 4.897 -10.830 -5.582 1.00 0.00 N ATOM 261 CA VAL A 17 3.612 -11.347 -5.038 1.00 0.00 C ATOM 262 C VAL A 17 2.776 -11.982 -6.143 1.00 0.00 C ATOM 263 O VAL A 17 3.104 -11.906 -7.308 1.00 0.00 O ATOM 264 CB VAL A 17 2.912 -10.108 -4.478 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.449 -10.435 -4.179 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.609 -9.670 -3.189 1.00 0.00 C ATOM 0 H VAL A 17 4.842 -9.917 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 17 3.761 -12.119 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 17 2.960 -9.303 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.953 -9.550 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.951 -10.748 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.399 -11.241 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.111 -8.787 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.561 -10.477 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.652 -9.434 -3.401 1.00 0.00 H new ATOM 276 N ALA A 18 1.701 -12.622 -5.780 1.00 0.00 N ATOM 277 CA ALA A 18 0.848 -13.277 -6.814 1.00 0.00 C ATOM 278 C ALA A 18 -0.580 -12.726 -6.774 1.00 0.00 C ATOM 279 O ALA A 18 -0.796 -11.540 -6.618 1.00 0.00 O ATOM 280 CB ALA A 18 0.858 -14.763 -6.456 1.00 0.00 C ATOM 0 H ALA A 18 1.376 -12.721 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 18 1.222 -13.094 -7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.250 -15.314 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.881 -15.137 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.450 -14.899 -5.455 1.00 0.00 H new ATOM 286 N ASP A 19 -1.555 -13.581 -6.926 1.00 0.00 N ATOM 287 CA ASP A 19 -2.965 -13.125 -6.912 1.00 0.00 C ATOM 288 C ASP A 19 -3.628 -13.496 -5.583 1.00 0.00 C ATOM 289 O ASP A 19 -3.628 -14.639 -5.173 1.00 0.00 O ATOM 290 CB ASP A 19 -3.611 -13.866 -8.089 1.00 0.00 C ATOM 291 CG ASP A 19 -4.073 -15.261 -7.651 1.00 0.00 C ATOM 292 OD1 ASP A 19 -3.248 -16.160 -7.636 1.00 0.00 O ATOM 293 OD2 ASP A 19 -5.244 -15.404 -7.338 1.00 0.00 O ATOM 0 H ASP A 19 -1.429 -14.584 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.067 -12.044 -7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.460 -13.295 -8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.898 -13.952 -8.909 1.00 0.00 H new ATOM 298 N GLY A 20 -4.192 -12.536 -4.914 1.00 0.00 N ATOM 299 CA GLY A 20 -4.860 -12.822 -3.614 1.00 0.00 C ATOM 300 C GLY A 20 -4.057 -12.204 -2.468 1.00 0.00 C ATOM 301 O GLY A 20 -4.501 -12.174 -1.338 1.00 0.00 O ATOM 0 H GLY A 20 -4.221 -11.560 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.872 -12.418 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.947 -13.899 -3.469 1.00 0.00 H new ATOM 305 N VAL A 21 -2.882 -11.705 -2.744 1.00 0.00 N ATOM 306 CA VAL A 21 -2.073 -11.086 -1.654 1.00 0.00 C ATOM 307 C VAL A 21 -2.221 -9.569 -1.681 1.00 0.00 C ATOM 308 O VAL A 21 -2.732 -8.987 -2.618 1.00 0.00 O ATOM 309 CB VAL A 21 -0.618 -11.454 -1.943 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.307 -10.726 -0.967 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.414 -12.962 -1.796 1.00 0.00 C ATOM 0 H VAL A 21 -2.450 -11.699 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.399 -11.440 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.382 -11.156 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.342 -10.993 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.180 -9.649 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.059 -11.016 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.627 -13.210 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.663 -13.265 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.060 -13.487 -2.499 1.00 0.00 H new ATOM 321 N SER A 22 -1.740 -8.936 -0.662 1.00 0.00 N ATOM 322 CA SER A 22 -1.791 -7.450 -0.582 1.00 0.00 C ATOM 323 C SER A 22 -0.363 -6.929 -0.450 1.00 0.00 C ATOM 324 O SER A 22 0.583 -7.689 -0.491 1.00 0.00 O ATOM 325 CB SER A 22 -2.596 -7.132 0.682 1.00 0.00 C ATOM 326 OG SER A 22 -2.987 -8.345 1.314 1.00 0.00 O ATOM 0 H SER A 22 -1.303 -9.390 0.140 1.00 0.00 H new ATOM 0 HA SER A 22 -2.246 -6.991 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.997 -6.530 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.477 -6.543 0.426 1.00 0.00 H new ATOM 0 HG SER A 22 -3.500 -8.141 2.123 1.00 0.00 H new ATOM 332 N LEU A 23 -0.183 -5.653 -0.267 1.00 0.00 N ATOM 333 CA LEU A 23 1.205 -5.146 -0.109 1.00 0.00 C ATOM 334 C LEU A 23 1.663 -5.402 1.322 1.00 0.00 C ATOM 335 O LEU A 23 2.801 -5.739 1.556 1.00 0.00 O ATOM 336 CB LEU A 23 1.151 -3.643 -0.421 1.00 0.00 C ATOM 337 CG LEU A 23 0.568 -3.440 -1.822 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.804 -2.000 -2.274 1.00 0.00 C ATOM 339 CD2 LEU A 23 1.251 -4.396 -2.804 1.00 0.00 C ATOM 0 H LEU A 23 -0.921 -4.951 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 23 1.912 -5.642 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.539 -3.128 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.150 -3.211 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.503 -3.643 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.388 -1.859 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.318 -1.316 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.875 -1.796 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.836 -4.251 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.322 -4.193 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.082 -5.425 -2.487 1.00 0.00 H new ATOM 351 N MET A 24 0.784 -5.273 2.283 1.00 0.00 N ATOM 352 CA MET A 24 1.194 -5.538 3.691 1.00 0.00 C ATOM 353 C MET A 24 1.219 -7.030 3.969 1.00 0.00 C ATOM 354 O MET A 24 1.379 -7.450 5.087 1.00 0.00 O ATOM 355 CB MET A 24 0.174 -4.832 4.577 1.00 0.00 C ATOM 356 CG MET A 24 0.854 -4.360 5.866 1.00 0.00 C ATOM 357 SD MET A 24 -0.266 -4.609 7.261 1.00 0.00 S ATOM 358 CE MET A 24 -0.073 -6.400 7.339 1.00 0.00 C ATOM 0 H MET A 24 -0.190 -4.998 2.154 1.00 0.00 H new ATOM 0 HA MET A 24 2.200 -5.167 3.887 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.256 -3.981 4.048 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.647 -5.508 4.814 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.780 -4.913 6.025 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.122 -3.307 5.784 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.327 -6.750 8.339 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.735 -6.869 6.611 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.960 -6.665 7.113 1.00 0.00 H new ATOM 368 N GLN A 25 1.075 -7.832 2.962 1.00 0.00 N ATOM 369 CA GLN A 25 1.122 -9.298 3.179 1.00 0.00 C ATOM 370 C GLN A 25 2.498 -9.834 2.746 1.00 0.00 C ATOM 371 O GLN A 25 3.313 -10.200 3.567 1.00 0.00 O ATOM 372 CB GLN A 25 -0.001 -9.846 2.310 1.00 0.00 C ATOM 373 CG GLN A 25 0.044 -11.375 2.300 1.00 0.00 C ATOM 374 CD GLN A 25 -1.370 -11.935 2.100 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.604 -13.105 2.325 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.331 -11.148 1.686 1.00 0.00 N ATOM 0 H GLN A 25 0.927 -7.538 1.997 1.00 0.00 H new ATOM 0 HA GLN A 25 0.992 -9.591 4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.964 -9.505 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.095 -9.464 1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.699 -11.723 1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.461 -11.742 3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.139 -10.165 1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.272 -11.518 1.554 1.00 0.00 H new ATOM 385 N ALA A 26 2.779 -9.863 1.460 1.00 0.00 N ATOM 386 CA ALA A 26 4.120 -10.356 1.010 1.00 0.00 C ATOM 387 C ALA A 26 5.194 -9.646 1.823 1.00 0.00 C ATOM 388 O ALA A 26 6.047 -10.258 2.436 1.00 0.00 O ATOM 389 CB ALA A 26 4.256 -9.957 -0.469 1.00 0.00 C ATOM 0 H ALA A 26 2.147 -9.571 0.715 1.00 0.00 H new ATOM 0 HA ALA A 26 4.224 -11.433 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.220 -10.294 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.456 -10.421 -1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.188 -8.873 -0.561 1.00 0.00 H new ATOM 395 N ALA A 27 5.144 -8.345 1.828 1.00 0.00 N ATOM 396 CA ALA A 27 6.138 -7.549 2.591 1.00 0.00 C ATOM 397 C ALA A 27 6.144 -8.042 4.033 1.00 0.00 C ATOM 398 O ALA A 27 7.165 -8.395 4.588 1.00 0.00 O ATOM 399 CB ALA A 27 5.603 -6.127 2.493 1.00 0.00 C ATOM 0 H ALA A 27 4.446 -7.793 1.328 1.00 0.00 H new ATOM 0 HA ALA A 27 7.161 -7.624 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.269 -5.450 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.549 -5.830 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.608 -6.082 2.935 1.00 0.00 H new ATOM 405 N VAL A 28 4.984 -8.100 4.615 1.00 0.00 N ATOM 406 CA VAL A 28 4.839 -8.608 6.003 1.00 0.00 C ATOM 407 C VAL A 28 5.781 -9.801 6.212 1.00 0.00 C ATOM 408 O VAL A 28 6.636 -9.792 7.076 1.00 0.00 O ATOM 409 CB VAL A 28 3.357 -9.012 6.043 1.00 0.00 C ATOM 410 CG1 VAL A 28 3.173 -10.508 6.354 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.619 -8.214 7.105 1.00 0.00 C ATOM 0 H VAL A 28 4.110 -7.810 4.177 1.00 0.00 H new ATOM 0 HA VAL A 28 5.096 -7.898 6.789 1.00 0.00 H new ATOM 0 HB VAL A 28 2.951 -8.804 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.110 -10.748 6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.666 -11.103 5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.613 -10.734 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.571 -8.512 7.121 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.066 -8.406 8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.691 -7.151 6.876 1.00 0.00 H new ATOM 421 N SER A 29 5.634 -10.819 5.411 1.00 0.00 N ATOM 422 CA SER A 29 6.521 -12.008 5.533 1.00 0.00 C ATOM 423 C SER A 29 7.961 -11.577 5.323 1.00 0.00 C ATOM 424 O SER A 29 8.842 -11.867 6.108 1.00 0.00 O ATOM 425 CB SER A 29 6.116 -12.921 4.394 1.00 0.00 C ATOM 426 OG SER A 29 5.048 -12.334 3.661 1.00 0.00 O ATOM 0 H SER A 29 4.933 -10.878 4.673 1.00 0.00 H new ATOM 0 HA SER A 29 6.435 -12.489 6.507 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.967 -13.096 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.810 -13.891 4.785 1.00 0.00 H new ATOM 0 HG SER A 29 5.410 -11.829 2.903 1.00 0.00 H new ATOM 432 N ASN A 30 8.190 -10.864 4.260 1.00 0.00 N ATOM 433 CA ASN A 30 9.553 -10.368 3.959 1.00 0.00 C ATOM 434 C ASN A 30 10.037 -9.471 5.099 1.00 0.00 C ATOM 435 O ASN A 30 11.178 -9.057 5.138 1.00 0.00 O ATOM 436 CB ASN A 30 9.367 -9.558 2.677 1.00 0.00 C ATOM 437 CG ASN A 30 9.749 -10.414 1.470 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.915 -10.580 1.169 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.803 -10.968 0.762 1.00 0.00 N ATOM 0 H ASN A 30 7.478 -10.601 3.578 1.00 0.00 H new ATOM 0 HA ASN A 30 10.290 -11.163 3.848 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.331 -9.229 2.589 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.985 -8.660 2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.041 -11.542 -0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.826 -10.827 1.017 1.00 0.00 H new ATOM 446 N GLY A 31 9.168 -9.162 6.026 1.00 0.00 N ATOM 447 CA GLY A 31 9.572 -8.279 7.163 1.00 0.00 C ATOM 448 C GLY A 31 9.392 -6.822 6.751 1.00 0.00 C ATOM 449 O GLY A 31 9.417 -5.926 7.571 1.00 0.00 O ATOM 0 H GLY A 31 8.199 -9.481 6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.967 -8.498 8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.611 -8.467 7.435 1.00 0.00 H new ATOM 453 N ILE A 32 9.198 -6.582 5.485 1.00 0.00 N ATOM 454 CA ILE A 32 8.995 -5.190 5.005 1.00 0.00 C ATOM 455 C ILE A 32 8.075 -4.440 5.977 1.00 0.00 C ATOM 456 O ILE A 32 8.293 -3.285 6.283 1.00 0.00 O ATOM 457 CB ILE A 32 8.339 -5.371 3.640 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.369 -5.884 2.639 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.773 -4.043 3.131 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.759 -5.856 1.237 1.00 0.00 C ATOM 0 H ILE A 32 9.171 -7.297 4.758 1.00 0.00 H new ATOM 0 HA ILE A 32 9.914 -4.607 4.942 1.00 0.00 H new ATOM 0 HB ILE A 32 7.526 -6.089 3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.266 -5.265 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.672 -6.899 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.310 -4.195 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.027 -3.672 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.579 -3.315 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.489 -6.221 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.875 -6.493 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.478 -4.834 0.983 1.00 0.00 H new ATOM 472 N TYR A 33 7.052 -5.093 6.478 1.00 0.00 N ATOM 473 CA TYR A 33 6.141 -4.401 7.443 1.00 0.00 C ATOM 474 C TYR A 33 6.486 -4.769 8.879 1.00 0.00 C ATOM 475 O TYR A 33 5.651 -5.221 9.637 1.00 0.00 O ATOM 476 CB TYR A 33 4.725 -4.853 7.107 1.00 0.00 C ATOM 477 CG TYR A 33 4.268 -4.081 5.911 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.779 -2.773 6.046 1.00 0.00 C ATOM 479 CD2 TYR A 33 4.352 -4.674 4.664 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.370 -2.062 4.904 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.949 -3.976 3.529 1.00 0.00 C ATOM 482 CZ TYR A 33 3.455 -2.667 3.642 1.00 0.00 C ATOM 483 OH TYR A 33 3.057 -1.978 2.515 1.00 0.00 O ATOM 0 H TYR A 33 6.812 -6.061 6.264 1.00 0.00 H new ATOM 0 HA TYR A 33 6.242 -3.319 7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.705 -5.923 6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.058 -4.678 7.951 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.717 -2.315 7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.731 -5.681 4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.992 -1.055 4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.017 -4.443 2.558 1.00 0.00 H new ATOM 0 HH TYR A 33 3.183 -2.543 1.724 1.00 0.00 H new ATOM 559 N CYS A 39 -3.494 -5.770 10.386 1.00 0.00 N ATOM 560 CA CYS A 39 -4.350 -6.141 9.215 1.00 0.00 C ATOM 561 C CYS A 39 -4.057 -7.574 8.771 1.00 0.00 C ATOM 562 O CYS A 39 -4.909 -8.437 8.839 1.00 0.00 O ATOM 563 CB CYS A 39 -4.032 -5.143 8.084 1.00 0.00 C ATOM 564 SG CYS A 39 -2.292 -4.626 8.118 1.00 0.00 S ATOM 0 HA CYS A 39 -5.407 -6.095 9.479 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.257 -5.600 7.121 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.674 -4.267 8.179 1.00 0.00 H new ATOM 569 N GLY A 40 -2.865 -7.836 8.308 1.00 0.00 N ATOM 570 CA GLY A 40 -2.540 -9.217 7.854 1.00 0.00 C ATOM 571 C GLY A 40 -3.691 -9.737 6.994 1.00 0.00 C ATOM 572 O GLY A 40 -4.230 -10.799 7.233 1.00 0.00 O ATOM 0 H GLY A 40 -2.107 -7.158 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.612 -9.218 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.386 -9.870 8.713 1.00 0.00 H new ATOM 576 N GLY A 41 -4.076 -8.988 5.997 1.00 0.00 N ATOM 577 CA GLY A 41 -5.200 -9.428 5.122 1.00 0.00 C ATOM 578 C GLY A 41 -6.532 -9.118 5.810 1.00 0.00 C ATOM 579 O GLY A 41 -7.491 -9.851 5.682 1.00 0.00 O ATOM 0 H GLY A 41 -3.661 -8.090 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.148 -8.918 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.122 -10.496 4.921 1.00 0.00 H new ATOM 583 N SER A 42 -6.598 -8.033 6.538 1.00 0.00 N ATOM 584 CA SER A 42 -7.872 -7.678 7.229 1.00 0.00 C ATOM 585 C SER A 42 -8.301 -6.257 6.854 1.00 0.00 C ATOM 586 O SER A 42 -9.459 -5.998 6.589 1.00 0.00 O ATOM 587 CB SER A 42 -7.558 -7.769 8.721 1.00 0.00 C ATOM 588 OG SER A 42 -8.774 -7.810 9.455 1.00 0.00 O ATOM 0 H SER A 42 -5.828 -7.380 6.683 1.00 0.00 H new ATOM 0 HA SER A 42 -8.690 -8.340 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.966 -8.661 8.926 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.961 -6.912 9.032 1.00 0.00 H new ATOM 0 HG SER A 42 -8.576 -7.870 10.413 1.00 0.00 H new ATOM 594 N ALA A 43 -7.374 -5.338 6.820 1.00 0.00 N ATOM 595 CA ALA A 43 -7.716 -3.930 6.449 1.00 0.00 C ATOM 596 C ALA A 43 -8.497 -3.235 7.564 1.00 0.00 C ATOM 597 O ALA A 43 -9.591 -2.745 7.361 1.00 0.00 O ATOM 598 CB ALA A 43 -8.572 -4.039 5.197 1.00 0.00 C ATOM 0 H ALA A 43 -6.390 -5.500 7.034 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.817 -3.336 6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.861 -3.042 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.003 -4.532 4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.466 -4.622 5.417 1.00 0.00 H new ATOM 604 N SER A 44 -7.942 -3.178 8.735 1.00 0.00 N ATOM 605 CA SER A 44 -8.640 -2.489 9.861 1.00 0.00 C ATOM 606 C SER A 44 -7.683 -1.537 10.599 1.00 0.00 C ATOM 607 O SER A 44 -8.003 -1.034 11.659 1.00 0.00 O ATOM 608 CB SER A 44 -9.094 -3.614 10.790 1.00 0.00 C ATOM 609 OG SER A 44 -8.060 -3.896 11.725 1.00 0.00 O ATOM 0 H SER A 44 -7.033 -3.578 8.968 1.00 0.00 H new ATOM 0 HA SER A 44 -9.473 -1.880 9.510 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.005 -3.324 11.314 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.330 -4.507 10.211 1.00 0.00 H new ATOM 0 HG SER A 44 -8.348 -4.616 12.324 1.00 0.00 H new ATOM 615 N CYS A 45 -6.496 -1.321 10.086 1.00 0.00 N ATOM 616 CA CYS A 45 -5.524 -0.439 10.825 1.00 0.00 C ATOM 617 C CYS A 45 -5.229 0.883 10.111 1.00 0.00 C ATOM 618 O CYS A 45 -5.273 0.983 8.917 1.00 0.00 O ATOM 619 CB CYS A 45 -4.219 -1.245 11.018 1.00 0.00 C ATOM 620 SG CYS A 45 -4.326 -2.874 10.235 1.00 0.00 S ATOM 0 H CYS A 45 -6.158 -1.707 9.204 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.973 -0.160 11.778 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.381 -0.691 10.595 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.017 -1.364 12.083 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.261 -3.082 9.520 1.00 0.00 H new ATOM 625 N ALA A 46 -4.901 1.907 10.853 1.00 0.00 N ATOM 626 CA ALA A 46 -4.593 3.219 10.210 1.00 0.00 C ATOM 627 C ALA A 46 -3.088 3.519 10.244 1.00 0.00 C ATOM 628 O ALA A 46 -2.663 4.608 9.916 1.00 0.00 O ATOM 629 CB ALA A 46 -5.351 4.250 11.041 1.00 0.00 C ATOM 0 H ALA A 46 -4.833 1.893 11.871 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.885 3.227 9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.177 5.246 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.418 4.027 11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.001 4.215 12.073 1.00 0.00 H new ATOM 635 N THR A 47 -2.279 2.574 10.637 1.00 0.00 N ATOM 636 CA THR A 47 -0.808 2.834 10.685 1.00 0.00 C ATOM 637 C THR A 47 -0.109 2.176 9.491 1.00 0.00 C ATOM 638 O THR A 47 1.102 2.113 9.422 1.00 0.00 O ATOM 639 CB THR A 47 -0.343 2.203 11.996 1.00 0.00 C ATOM 640 OG1 THR A 47 -0.963 0.935 12.154 1.00 0.00 O ATOM 641 CG2 THR A 47 -0.727 3.111 13.163 1.00 0.00 C ATOM 0 H THR A 47 -2.568 1.639 10.925 1.00 0.00 H new ATOM 0 HA THR A 47 -0.574 3.897 10.636 1.00 0.00 H new ATOM 0 HB THR A 47 0.740 2.078 11.978 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.802 1.041 12.649 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.395 2.661 14.099 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.251 4.084 13.039 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.809 3.237 13.185 1.00 0.00 H new ATOM 649 N CYS A 48 -0.868 1.690 8.551 1.00 0.00 N ATOM 650 CA CYS A 48 -0.265 1.033 7.349 1.00 0.00 C ATOM 651 C CYS A 48 -0.602 1.851 6.104 1.00 0.00 C ATOM 652 O CYS A 48 -0.445 1.399 4.992 1.00 0.00 O ATOM 653 CB CYS A 48 -0.865 -0.390 7.258 1.00 0.00 C ATOM 654 SG CYS A 48 -1.974 -0.737 8.635 1.00 0.00 S ATOM 0 H CYS A 48 -1.888 1.718 8.560 1.00 0.00 H new ATOM 0 HA CYS A 48 0.821 0.974 7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.407 -0.496 6.319 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.059 -1.124 7.246 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.697 -1.906 9.132 1.00 0.00 H new ATOM 659 N HIS A 49 -1.058 3.061 6.286 1.00 0.00 N ATOM 660 CA HIS A 49 -1.393 3.917 5.110 1.00 0.00 C ATOM 661 C HIS A 49 -0.311 3.751 4.043 1.00 0.00 C ATOM 662 O HIS A 49 0.859 3.663 4.356 1.00 0.00 O ATOM 663 CB HIS A 49 -1.389 5.342 5.669 1.00 0.00 C ATOM 664 CG HIS A 49 -2.077 6.287 4.717 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.821 7.370 5.164 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.132 6.342 3.346 1.00 0.00 C ATOM 667 CE1 HIS A 49 -3.283 8.020 4.083 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.892 7.437 2.952 1.00 0.00 N ATOM 0 H HIS A 49 -1.213 3.494 7.196 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.346 3.663 4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.892 5.361 6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.363 5.670 5.837 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.657 5.641 2.676 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.897 8.908 4.126 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.105 7.731 1.999 1.00 0.00 H new ATOM 676 N VAL A 50 -0.674 3.716 2.790 1.00 0.00 N ATOM 677 CA VAL A 50 0.358 3.569 1.735 1.00 0.00 C ATOM 678 C VAL A 50 -0.079 4.321 0.500 1.00 0.00 C ATOM 679 O VAL A 50 -1.247 4.564 0.275 1.00 0.00 O ATOM 680 CB VAL A 50 0.468 2.084 1.414 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.096 1.349 2.590 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.922 1.529 1.128 1.00 0.00 C ATOM 0 H VAL A 50 -1.636 3.783 2.456 1.00 0.00 H new ATOM 0 HA VAL A 50 1.317 3.966 2.068 1.00 0.00 H new ATOM 0 HB VAL A 50 1.099 1.943 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.173 0.287 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.091 1.751 2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.475 1.482 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.849 0.466 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.556 1.668 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.356 2.056 0.278 1.00 0.00 H new ATOM 692 N TYR A 51 0.858 4.693 -0.289 1.00 0.00 N ATOM 693 CA TYR A 51 0.540 5.446 -1.519 1.00 0.00 C ATOM 694 C TYR A 51 1.036 4.695 -2.755 1.00 0.00 C ATOM 695 O TYR A 51 2.207 4.419 -2.904 1.00 0.00 O ATOM 696 CB TYR A 51 1.278 6.764 -1.332 1.00 0.00 C ATOM 697 CG TYR A 51 0.502 7.678 -0.397 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.848 7.411 -0.084 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.116 8.835 0.115 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.567 8.295 0.722 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.390 9.711 0.932 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.952 9.442 1.228 1.00 0.00 C ATOM 703 OH TYR A 51 -1.668 10.307 2.025 1.00 0.00 O ATOM 0 H TYR A 51 1.850 4.509 -0.139 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.530 5.587 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.272 6.577 -0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.415 7.252 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.325 6.522 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.148 9.048 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.602 8.091 0.955 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.865 10.594 1.334 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.380 11.227 1.851 1.00 0.00 H new ATOM 713 N VAL A 52 0.148 4.375 -3.650 1.00 0.00 N ATOM 714 CA VAL A 52 0.575 3.655 -4.889 1.00 0.00 C ATOM 715 C VAL A 52 0.884 4.701 -5.982 1.00 0.00 C ATOM 716 O VAL A 52 0.603 5.871 -5.814 1.00 0.00 O ATOM 717 CB VAL A 52 -0.616 2.760 -5.288 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.208 1.782 -6.409 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.072 1.955 -4.068 1.00 0.00 C ATOM 0 H VAL A 52 -0.850 4.577 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 52 1.471 3.051 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.426 3.395 -5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.061 1.159 -6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.118 2.346 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.608 1.149 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.914 1.321 -4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.250 1.333 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.377 2.638 -3.275 1.00 0.00 H new ATOM 729 N ASN A 53 1.450 4.306 -7.095 1.00 0.00 N ATOM 730 CA ASN A 53 1.756 5.306 -8.171 1.00 0.00 C ATOM 731 C ASN A 53 0.450 5.737 -8.845 1.00 0.00 C ATOM 732 O ASN A 53 -0.581 5.792 -8.216 1.00 0.00 O ATOM 733 CB ASN A 53 2.650 4.563 -9.165 1.00 0.00 C ATOM 734 CG ASN A 53 1.962 3.271 -9.543 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.108 3.257 -10.407 1.00 0.00 O ATOM 736 ND2 ASN A 53 2.280 2.191 -8.905 1.00 0.00 N ATOM 0 H ASN A 53 1.713 3.343 -7.307 1.00 0.00 H new ATOM 0 HA ASN A 53 2.242 6.203 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.824 5.174 -10.050 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.625 4.359 -8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.812 1.312 -9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.999 2.219 -8.182 1.00 0.00 H new ATOM 743 N GLU A 54 0.481 6.054 -10.110 1.00 0.00 N ATOM 744 CA GLU A 54 -0.773 6.470 -10.803 1.00 0.00 C ATOM 745 C GLU A 54 -1.339 5.334 -11.677 1.00 0.00 C ATOM 746 O GLU A 54 -2.457 5.408 -12.147 1.00 0.00 O ATOM 747 CB GLU A 54 -0.365 7.659 -11.673 1.00 0.00 C ATOM 748 CG GLU A 54 0.845 7.277 -12.525 1.00 0.00 C ATOM 749 CD GLU A 54 0.622 7.740 -13.966 1.00 0.00 C ATOM 750 OE1 GLU A 54 0.172 8.861 -14.144 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.904 6.967 -14.867 1.00 0.00 O ATOM 0 H GLU A 54 1.318 6.043 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.558 6.723 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.195 7.956 -12.314 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.125 8.517 -11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.747 7.735 -12.120 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.996 6.198 -12.498 1.00 0.00 H new ATOM 758 N ALA A 55 -0.562 4.315 -11.951 1.00 0.00 N ATOM 759 CA ALA A 55 -1.057 3.224 -12.855 1.00 0.00 C ATOM 760 C ALA A 55 -1.543 1.966 -12.113 1.00 0.00 C ATOM 761 O ALA A 55 -2.491 1.333 -12.532 1.00 0.00 O ATOM 762 CB ALA A 55 0.148 2.879 -13.729 1.00 0.00 C ATOM 0 H ALA A 55 0.385 4.189 -11.593 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.929 3.567 -13.412 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.123 2.085 -14.425 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.457 3.762 -14.288 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.971 2.543 -13.098 1.00 0.00 H new ATOM 768 N PHE A 56 -0.896 1.561 -11.053 1.00 0.00 N ATOM 769 CA PHE A 56 -1.339 0.307 -10.362 1.00 0.00 C ATOM 770 C PHE A 56 -2.482 0.583 -9.376 1.00 0.00 C ATOM 771 O PHE A 56 -3.117 -0.331 -8.891 1.00 0.00 O ATOM 772 CB PHE A 56 -0.088 -0.209 -9.638 1.00 0.00 C ATOM 773 CG PHE A 56 0.952 -0.597 -10.681 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.745 0.408 -11.261 1.00 0.00 C ATOM 775 CD2 PHE A 56 1.117 -1.942 -11.110 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.676 0.089 -12.253 1.00 0.00 C ATOM 777 CE2 PHE A 56 2.059 -2.245 -12.096 1.00 0.00 C ATOM 778 CZ PHE A 56 2.831 -1.233 -12.671 1.00 0.00 C ATOM 0 H PHE A 56 -0.092 2.033 -10.638 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.733 -0.426 -11.066 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.309 0.560 -8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.338 -1.068 -9.016 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.634 1.433 -10.938 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.516 -2.727 -10.675 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.277 0.868 -12.697 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.191 -3.268 -12.416 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.549 -1.474 -13.441 1.00 0.00 H new ATOM 788 N THR A 57 -2.766 1.823 -9.089 1.00 0.00 N ATOM 789 CA THR A 57 -3.896 2.123 -8.146 1.00 0.00 C ATOM 790 C THR A 57 -5.227 2.062 -8.905 1.00 0.00 C ATOM 791 O THR A 57 -6.175 1.437 -8.480 1.00 0.00 O ATOM 792 CB THR A 57 -3.677 3.546 -7.602 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.494 4.454 -8.327 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.217 3.961 -7.744 1.00 0.00 C ATOM 0 H THR A 57 -2.275 2.637 -9.458 1.00 0.00 H new ATOM 0 HA THR A 57 -3.924 1.398 -7.332 1.00 0.00 H new ATOM 0 HB THR A 57 -3.942 3.560 -6.545 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.929 5.124 -8.765 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.086 4.970 -7.353 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.586 3.270 -7.184 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.933 3.940 -8.796 1.00 0.00 H new ATOM 802 N ASP A 58 -5.304 2.721 -10.028 1.00 0.00 N ATOM 803 CA ASP A 58 -6.571 2.709 -10.813 1.00 0.00 C ATOM 804 C ASP A 58 -6.903 1.277 -11.235 1.00 0.00 C ATOM 805 O ASP A 58 -8.000 0.985 -11.668 1.00 0.00 O ATOM 806 CB ASP A 58 -6.290 3.580 -12.037 1.00 0.00 C ATOM 807 CG ASP A 58 -4.953 3.172 -12.658 1.00 0.00 C ATOM 808 OD1 ASP A 58 -3.928 3.548 -12.113 1.00 0.00 O ATOM 809 OD2 ASP A 58 -4.976 2.488 -13.669 1.00 0.00 O ATOM 0 H ASP A 58 -4.545 3.267 -10.436 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.421 3.082 -10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.091 3.469 -12.767 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.264 4.631 -11.750 1.00 0.00 H new ATOM 814 N LYS A 59 -5.961 0.386 -11.109 1.00 0.00 N ATOM 815 CA LYS A 59 -6.213 -1.028 -11.501 1.00 0.00 C ATOM 816 C LYS A 59 -6.672 -1.838 -10.287 1.00 0.00 C ATOM 817 O LYS A 59 -7.692 -2.498 -10.319 1.00 0.00 O ATOM 818 CB LYS A 59 -4.866 -1.539 -12.007 1.00 0.00 C ATOM 819 CG LYS A 59 -4.369 -0.639 -13.139 1.00 0.00 C ATOM 820 CD LYS A 59 -5.106 -0.992 -14.433 1.00 0.00 C ATOM 821 CE LYS A 59 -4.138 -1.677 -15.401 1.00 0.00 C ATOM 822 NZ LYS A 59 -4.170 -0.841 -16.633 1.00 0.00 N ATOM 0 H LYS A 59 -5.025 0.576 -10.751 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.995 -1.117 -12.256 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.141 -1.551 -11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.965 -2.565 -12.361 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.537 0.408 -12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.295 -0.766 -13.274 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.948 -1.650 -14.217 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.515 -0.090 -14.889 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.132 -1.727 -14.984 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.448 -2.701 -15.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.530 -1.247 -17.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.138 -0.817 -17.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.864 0.126 -16.404 1.00 0.00 H new ATOM 836 N VAL A 60 -5.929 -1.794 -9.216 1.00 0.00 N ATOM 837 CA VAL A 60 -6.317 -2.555 -8.004 1.00 0.00 C ATOM 838 C VAL A 60 -7.802 -2.347 -7.699 1.00 0.00 C ATOM 839 O VAL A 60 -8.429 -1.453 -8.234 1.00 0.00 O ATOM 840 CB VAL A 60 -5.454 -1.969 -6.891 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.013 -2.452 -7.036 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.484 -0.445 -6.959 1.00 0.00 C ATOM 0 H VAL A 60 -5.065 -1.259 -9.132 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.168 -3.629 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.850 -2.299 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.405 -2.028 -6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.986 -3.540 -6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.618 -2.133 -8.001 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.866 -0.033 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.098 -0.116 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.510 -0.096 -6.840 1.00 0.00 H new ATOM 852 N PRO A 61 -8.312 -3.185 -6.840 1.00 0.00 N ATOM 853 CA PRO A 61 -9.740 -3.103 -6.442 1.00 0.00 C ATOM 854 C PRO A 61 -10.034 -1.843 -5.648 1.00 0.00 C ATOM 855 O PRO A 61 -9.161 -1.193 -5.108 1.00 0.00 O ATOM 856 CB PRO A 61 -9.953 -4.345 -5.590 1.00 0.00 C ATOM 857 CG PRO A 61 -8.591 -4.701 -5.087 1.00 0.00 C ATOM 858 CD PRO A 61 -7.617 -4.282 -6.160 1.00 0.00 C ATOM 0 HA PRO A 61 -10.405 -3.059 -7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.639 -4.147 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.383 -5.157 -6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.378 -4.190 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.517 -5.771 -4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.668 -3.955 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.395 -5.102 -6.843 1.00 0.00 H new ATOM 866 N ALA A 62 -11.281 -1.508 -5.597 1.00 0.00 N ATOM 867 CA ALA A 62 -11.728 -0.301 -4.871 1.00 0.00 C ATOM 868 C ALA A 62 -11.842 -0.581 -3.373 1.00 0.00 C ATOM 869 O ALA A 62 -12.510 -1.502 -2.948 1.00 0.00 O ATOM 870 CB ALA A 62 -13.093 -0.008 -5.479 1.00 0.00 C ATOM 0 H ALA A 62 -12.032 -2.036 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.035 0.536 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.519 0.878 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.984 0.168 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.754 -0.859 -5.316 1.00 0.00 H new ATOM 876 N ALA A 63 -11.200 0.216 -2.577 1.00 0.00 N ATOM 877 CA ALA A 63 -11.268 0.018 -1.100 1.00 0.00 C ATOM 878 C ALA A 63 -12.678 0.364 -0.600 1.00 0.00 C ATOM 879 O ALA A 63 -13.417 1.072 -1.255 1.00 0.00 O ATOM 880 CB ALA A 63 -10.233 0.987 -0.528 1.00 0.00 C ATOM 0 H ALA A 63 -10.626 1.002 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.065 -1.010 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.219 0.905 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.247 0.742 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.494 2.007 -0.811 1.00 0.00 H new ATOM 886 N ASN A 64 -13.071 -0.145 0.540 1.00 0.00 N ATOM 887 CA ASN A 64 -14.448 0.148 1.043 1.00 0.00 C ATOM 888 C ASN A 64 -14.449 1.246 2.111 1.00 0.00 C ATOM 889 O ASN A 64 -13.470 1.933 2.323 1.00 0.00 O ATOM 890 CB ASN A 64 -14.948 -1.164 1.645 1.00 0.00 C ATOM 891 CG ASN A 64 -13.962 -1.648 2.711 1.00 0.00 C ATOM 892 OD1 ASN A 64 -12.845 -1.174 2.780 1.00 0.00 O ATOM 893 ND2 ASN A 64 -14.327 -2.578 3.554 1.00 0.00 N ATOM 0 H ASN A 64 -12.505 -0.745 1.140 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.083 0.510 0.235 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.935 -1.021 2.086 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.054 -1.917 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.675 -2.904 4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.264 -2.978 3.498 1.00 0.00 H new ATOM 900 N GLU A 65 -15.562 1.406 2.780 1.00 0.00 N ATOM 901 CA GLU A 65 -15.676 2.449 3.840 1.00 0.00 C ATOM 902 C GLU A 65 -14.735 2.134 5.005 1.00 0.00 C ATOM 903 O GLU A 65 -14.391 2.998 5.787 1.00 0.00 O ATOM 904 CB GLU A 65 -17.140 2.385 4.286 1.00 0.00 C ATOM 905 CG GLU A 65 -17.345 1.195 5.228 1.00 0.00 C ATOM 906 CD GLU A 65 -17.442 1.696 6.670 1.00 0.00 C ATOM 907 OE1 GLU A 65 -16.416 2.061 7.219 1.00 0.00 O ATOM 908 OE2 GLU A 65 -18.541 1.707 7.201 1.00 0.00 O ATOM 0 H GLU A 65 -16.405 0.851 2.634 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.399 3.441 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.417 3.311 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.790 2.288 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.253 0.656 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.516 0.494 5.131 1.00 0.00 H new ATOM 915 N ARG A 66 -14.306 0.908 5.122 1.00 0.00 N ATOM 916 CA ARG A 66 -13.376 0.556 6.232 1.00 0.00 C ATOM 917 C ARG A 66 -12.074 1.316 6.040 1.00 0.00 C ATOM 918 O ARG A 66 -11.593 1.997 6.924 1.00 0.00 O ATOM 919 CB ARG A 66 -13.096 -0.942 6.071 1.00 0.00 C ATOM 920 CG ARG A 66 -13.465 -1.714 7.344 1.00 0.00 C ATOM 921 CD ARG A 66 -13.108 -0.897 8.591 1.00 0.00 C ATOM 922 NE ARG A 66 -14.395 -0.293 9.027 1.00 0.00 N ATOM 923 CZ ARG A 66 -14.475 0.313 10.180 1.00 0.00 C ATOM 924 NH1 ARG A 66 -13.408 0.838 10.717 1.00 0.00 N ATOM 925 NH2 ARG A 66 -15.623 0.392 10.797 1.00 0.00 N ATOM 0 H ARG A 66 -14.557 0.139 4.501 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.792 0.798 7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.665 -1.333 5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.041 -1.095 5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.531 -1.940 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.937 -2.668 7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.683 -1.529 9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.367 -0.130 8.364 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.216 -0.352 8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.511 0.775 10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.471 1.312 11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.457 -0.020 10.378 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.686 0.866 11.698 1.00 0.00 H new ATOM 939 N GLU A 67 -11.504 1.190 4.882 1.00 0.00 N ATOM 940 CA GLU A 67 -10.226 1.870 4.590 1.00 0.00 C ATOM 941 C GLU A 67 -10.361 3.382 4.752 1.00 0.00 C ATOM 942 O GLU A 67 -9.536 4.016 5.364 1.00 0.00 O ATOM 943 CB GLU A 67 -9.952 1.509 3.131 1.00 0.00 C ATOM 944 CG GLU A 67 -8.812 2.369 2.585 1.00 0.00 C ATOM 945 CD GLU A 67 -9.212 2.933 1.220 1.00 0.00 C ATOM 946 OE1 GLU A 67 -10.401 3.060 0.981 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.325 3.224 0.436 1.00 0.00 O ATOM 0 H GLU A 67 -11.878 0.634 4.113 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.425 1.566 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.692 0.453 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.852 1.662 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.591 3.182 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.904 1.773 2.493 1.00 0.00 H new ATOM 954 N ILE A 68 -11.380 3.966 4.203 1.00 0.00 N ATOM 955 CA ILE A 68 -11.520 5.445 4.307 1.00 0.00 C ATOM 956 C ILE A 68 -11.310 5.925 5.752 1.00 0.00 C ATOM 957 O ILE A 68 -10.907 7.047 5.970 1.00 0.00 O ATOM 958 CB ILE A 68 -12.949 5.732 3.819 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.937 5.924 2.301 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.500 7.001 4.477 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.212 4.749 1.645 1.00 0.00 C ATOM 0 H ILE A 68 -12.121 3.490 3.688 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.772 5.974 3.716 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.584 4.888 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.958 5.992 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.440 6.860 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.512 7.187 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.516 6.872 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.864 7.849 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.203 4.885 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.187 4.702 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.728 3.821 1.890 1.00 0.00 H new ATOM 973 N GLY A 69 -11.560 5.104 6.736 1.00 0.00 N ATOM 974 CA GLY A 69 -11.340 5.561 8.146 1.00 0.00 C ATOM 975 C GLY A 69 -9.912 5.219 8.571 1.00 0.00 C ATOM 976 O GLY A 69 -9.084 6.089 8.757 1.00 0.00 O ATOM 0 H GLY A 69 -11.902 4.149 6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.507 6.635 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.055 5.079 8.812 1.00 0.00 H new ATOM 980 N MET A 70 -9.613 3.959 8.707 1.00 0.00 N ATOM 981 CA MET A 70 -8.227 3.558 9.100 1.00 0.00 C ATOM 982 C MET A 70 -7.225 4.300 8.232 1.00 0.00 C ATOM 983 O MET A 70 -6.224 4.810 8.692 1.00 0.00 O ATOM 984 CB MET A 70 -8.111 2.070 8.751 1.00 0.00 C ATOM 985 CG MET A 70 -8.786 1.791 7.408 1.00 0.00 C ATOM 986 SD MET A 70 -9.643 0.210 7.495 1.00 0.00 S ATOM 987 CE MET A 70 -8.420 -0.657 6.513 1.00 0.00 C ATOM 0 H MET A 70 -10.264 3.187 8.564 1.00 0.00 H new ATOM 0 HA MET A 70 -8.037 3.770 10.152 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.061 1.780 8.706 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.575 1.468 9.532 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.490 2.588 7.169 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.043 1.772 6.611 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.922 -1.321 5.810 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.817 0.065 5.963 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.776 -1.243 7.169 1.00 0.00 H new ATOM 997 N LEU A 71 -7.505 4.352 6.970 1.00 0.00 N ATOM 998 CA LEU A 71 -6.606 5.038 6.020 1.00 0.00 C ATOM 999 C LEU A 71 -6.661 6.545 6.307 1.00 0.00 C ATOM 1000 O LEU A 71 -5.728 7.278 6.047 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.216 4.647 4.669 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.272 4.935 3.494 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.126 5.234 2.260 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.383 6.146 3.782 1.00 0.00 C ATOM 0 H LEU A 71 -8.337 3.939 6.548 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.550 4.772 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.465 3.586 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.149 5.192 4.524 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.630 4.069 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.476 5.442 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.754 4.372 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.757 6.101 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.725 6.325 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.007 7.024 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.782 5.953 4.671 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.748 6.998 6.878 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.879 8.445 7.225 1.00 0.00 C ATOM 1018 C GLU A 72 -7.379 8.710 8.652 1.00 0.00 C ATOM 1019 O GLU A 72 -6.981 9.811 8.981 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.375 8.742 7.136 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.704 10.008 7.934 1.00 0.00 C ATOM 1022 CD GLU A 72 -10.546 10.953 7.075 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -10.136 11.232 5.960 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -11.587 11.380 7.545 1.00 0.00 O ATOM 0 H GLU A 72 -8.555 6.424 7.120 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.288 9.073 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.667 8.872 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.946 7.898 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.246 9.746 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.784 10.504 8.243 1.00 0.00 H new ATOM 1031 N CYS A 73 -7.415 7.728 9.512 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.964 7.975 10.911 1.00 0.00 C ATOM 1033 C CYS A 73 -5.623 8.697 10.881 1.00 0.00 C ATOM 1034 O CYS A 73 -5.393 9.635 11.618 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.826 6.590 11.542 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.983 6.439 12.927 1.00 0.00 S ATOM 0 H CYS A 73 -7.732 6.780 9.311 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.658 8.596 11.477 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -7.029 5.818 10.799 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.804 6.437 11.890 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.867 5.260 13.462 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.753 8.295 10.005 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.444 8.995 9.898 1.00 0.00 C ATOM 1044 C VAL A 74 -3.572 10.128 8.874 1.00 0.00 C ATOM 1045 O VAL A 74 -3.316 9.954 7.699 1.00 0.00 O ATOM 1046 CB VAL A 74 -2.431 7.941 9.438 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -2.054 7.046 10.618 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -3.032 7.083 8.328 1.00 0.00 C ATOM 0 H VAL A 74 -4.888 7.516 9.360 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.126 9.436 10.843 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.543 8.447 9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.334 6.296 10.291 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.612 7.653 11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.947 6.549 10.998 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.303 6.338 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.925 6.581 8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.297 7.717 7.482 1.00 0.00 H new ATOM 1058 N THR A 75 -3.996 11.280 9.317 1.00 0.00 N ATOM 1059 CA THR A 75 -4.183 12.433 8.388 1.00 0.00 C ATOM 1060 C THR A 75 -2.966 12.624 7.480 1.00 0.00 C ATOM 1061 O THR A 75 -1.996 13.264 7.835 1.00 0.00 O ATOM 1062 CB THR A 75 -4.328 13.640 9.316 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.602 14.800 8.542 1.00 0.00 O ATOM 1064 CG2 THR A 75 -3.024 13.839 10.097 1.00 0.00 C ATOM 0 H THR A 75 -4.223 11.474 10.292 1.00 0.00 H new ATOM 0 HA THR A 75 -5.039 12.286 7.729 1.00 0.00 H new ATOM 0 HB THR A 75 -5.147 13.469 10.015 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.697 15.574 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.124 14.699 10.759 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.814 12.948 10.688 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.205 14.012 9.399 1.00 0.00 H new ATOM 1072 N ALA A 76 -3.025 12.086 6.296 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.892 12.241 5.341 1.00 0.00 C ATOM 1074 C ALA A 76 -2.415 12.830 4.031 1.00 0.00 C ATOM 1075 O ALA A 76 -2.124 12.333 2.966 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.364 10.822 5.118 1.00 0.00 C ATOM 0 H ALA A 76 -3.813 11.542 5.945 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.112 12.906 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.525 10.851 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.034 10.403 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.157 10.200 4.703 1.00 0.00 H new ATOM 1082 N GLU A 77 -3.206 13.870 4.107 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.774 14.481 2.868 1.00 0.00 C ATOM 1084 C GLU A 77 -4.167 13.376 1.893 1.00 0.00 C ATOM 1085 O GLU A 77 -3.668 13.291 0.789 1.00 0.00 O ATOM 1086 CB GLU A 77 -2.674 15.382 2.290 1.00 0.00 C ATOM 1087 CG GLU A 77 -1.426 14.557 1.972 1.00 0.00 C ATOM 1088 CD GLU A 77 -0.453 15.403 1.148 1.00 0.00 C ATOM 1089 OE1 GLU A 77 0.045 16.382 1.677 1.00 0.00 O ATOM 1090 OE2 GLU A 77 -0.223 15.055 0.002 1.00 0.00 O ATOM 0 H GLU A 77 -3.484 14.324 4.977 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.672 15.066 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.034 15.873 1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.427 16.169 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.948 14.230 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.702 13.659 1.420 1.00 0.00 H new ATOM 1097 N LEU A 78 -5.062 12.531 2.324 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.541 11.394 1.488 1.00 0.00 C ATOM 1099 C LEU A 78 -5.430 11.693 -0.007 1.00 0.00 C ATOM 1100 O LEU A 78 -5.794 12.754 -0.472 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.997 11.237 1.888 1.00 0.00 C ATOM 1102 CG LEU A 78 -7.276 9.763 2.172 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.509 9.327 3.421 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.771 9.568 2.400 1.00 0.00 C ATOM 0 H LEU A 78 -5.493 12.583 3.247 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.947 10.495 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.212 11.838 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.648 11.597 1.091 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.953 9.161 1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.709 8.275 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.440 9.469 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.830 9.927 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.974 8.516 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.091 10.170 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.318 9.878 1.510 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.934 10.753 -0.761 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.797 10.960 -2.232 1.00 0.00 C ATOM 1118 C LYS A 79 -5.893 10.165 -2.950 1.00 0.00 C ATOM 1119 O LYS A 79 -6.610 9.411 -2.322 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.417 10.408 -2.579 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.431 10.791 -1.479 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.047 10.303 -1.860 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.154 11.520 -2.020 1.00 0.00 C ATOM 1124 NZ LYS A 79 0.847 11.139 -3.054 1.00 0.00 N ATOM 0 H LYS A 79 -4.616 9.845 -0.421 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.897 12.004 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.462 9.324 -2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.084 10.806 -3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.423 11.872 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.737 10.350 -0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.652 9.637 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.085 9.732 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.729 12.392 -2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.331 11.778 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.498 11.934 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.385 10.311 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.358 10.906 -3.942 1.00 0.00 H new ATOM 1138 N PRO A 80 -5.990 10.341 -4.240 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.014 9.602 -5.015 1.00 0.00 C ATOM 1140 C PRO A 80 -6.661 8.115 -5.066 1.00 0.00 C ATOM 1141 O PRO A 80 -7.523 7.262 -5.154 1.00 0.00 O ATOM 1142 CB PRO A 80 -6.940 10.233 -6.403 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.567 10.812 -6.490 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.180 11.220 -5.093 1.00 0.00 C ATOM 0 HA PRO A 80 -8.013 9.664 -4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.106 9.491 -7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.702 11.003 -6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.863 10.081 -6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.551 11.670 -7.162 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.114 11.080 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.399 12.272 -4.907 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.398 7.799 -5.010 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.981 6.369 -5.056 1.00 0.00 C ATOM 1154 C ASN A 81 -4.503 5.889 -3.678 1.00 0.00 C ATOM 1155 O ASN A 81 -4.152 4.738 -3.507 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.825 6.327 -6.055 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.757 7.344 -5.645 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.016 8.234 -4.859 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.557 7.248 -6.147 1.00 0.00 N ATOM 0 H ASN A 81 -4.634 8.471 -4.934 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.807 5.719 -5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.395 5.326 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.189 6.551 -7.058 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.837 7.919 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.338 6.501 -6.807 1.00 0.00 H new ATOM 1166 N SER A 82 -4.473 6.751 -2.696 1.00 0.00 N ATOM 1167 CA SER A 82 -4.002 6.317 -1.347 1.00 0.00 C ATOM 1168 C SER A 82 -4.697 5.029 -0.911 1.00 0.00 C ATOM 1169 O SER A 82 -5.733 4.659 -1.427 1.00 0.00 O ATOM 1170 CB SER A 82 -4.400 7.444 -0.401 1.00 0.00 C ATOM 1171 OG SER A 82 -3.701 8.620 -0.754 1.00 0.00 O ATOM 0 H SER A 82 -4.752 7.730 -2.768 1.00 0.00 H new ATOM 0 HA SER A 82 -2.929 6.123 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.475 7.616 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.172 7.167 0.628 1.00 0.00 H new ATOM 0 HG SER A 82 -2.739 8.478 -0.630 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.134 4.353 0.050 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.751 3.094 0.547 1.00 0.00 C ATOM 1179 C ARG A 83 -3.963 2.562 1.745 1.00 0.00 C ATOM 1180 O ARG A 83 -2.855 2.980 2.010 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.668 2.110 -0.622 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.078 1.649 -1.001 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.455 2.211 -2.373 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.370 1.050 -3.301 1.00 0.00 N ATOM 1185 CZ ARG A 83 -6.581 1.222 -4.577 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -5.742 1.925 -5.288 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.631 0.693 -5.143 1.00 0.00 N ATOM 0 H ARG A 83 -3.267 4.621 0.515 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.779 3.245 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.187 2.584 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.055 1.252 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.122 0.560 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.794 1.984 -0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.459 2.636 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.775 3.008 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.147 0.122 -2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.922 2.340 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.907 2.060 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.288 0.144 -4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.795 0.828 -6.141 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.526 1.629 2.455 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.818 1.037 3.628 1.00 0.00 C ATOM 1203 C LEU A 84 -2.867 -0.055 3.152 1.00 0.00 C ATOM 1204 O LEU A 84 -3.155 -0.748 2.196 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.911 0.372 4.468 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.846 0.859 5.916 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.778 -0.007 6.752 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.433 0.667 6.449 1.00 0.00 C ATOM 0 H LEU A 84 -5.454 1.246 2.274 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.254 1.791 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.890 0.598 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.793 -0.711 4.437 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.130 1.910 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.748 0.323 7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.796 0.082 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.459 -1.048 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.383 1.013 7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.169 -0.390 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.733 1.240 5.840 1.00 0.00 H new ATOM 1220 N SER A 85 -1.759 -0.263 3.825 1.00 0.00 N ATOM 1221 CA SER A 85 -0.867 -1.370 3.392 1.00 0.00 C ATOM 1222 C SER A 85 -1.754 -2.609 3.225 1.00 0.00 C ATOM 1223 O SER A 85 -1.476 -3.509 2.457 1.00 0.00 O ATOM 1224 CB SER A 85 0.133 -1.598 4.521 1.00 0.00 C ATOM 1225 OG SER A 85 0.903 -0.423 4.722 1.00 0.00 O ATOM 0 H SER A 85 -1.445 0.274 4.634 1.00 0.00 H new ATOM 0 HA SER A 85 -0.340 -1.156 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.393 -1.861 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.787 -2.436 4.277 1.00 0.00 H new ATOM 0 HG SER A 85 0.306 0.350 4.802 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.834 -2.631 3.972 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.795 -3.777 3.930 1.00 0.00 C ATOM 1233 C CYS A 86 -5.083 -3.382 3.206 1.00 0.00 C ATOM 1234 O CYS A 86 -6.170 -3.697 3.648 1.00 0.00 O ATOM 1235 CB CYS A 86 -4.106 -4.102 5.401 1.00 0.00 C ATOM 1236 SG CYS A 86 -4.462 -2.588 6.343 1.00 0.00 S ATOM 0 H CYS A 86 -3.093 -1.888 4.621 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.374 -4.628 3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.960 -4.777 5.455 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.259 -4.622 5.849 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.489 -2.355 7.174 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.982 -2.698 2.102 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.217 -2.297 1.376 1.00 0.00 C ATOM 1243 C GLN A 87 -6.178 -2.758 -0.072 1.00 0.00 C ATOM 1244 O GLN A 87 -7.176 -3.155 -0.639 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.254 -0.774 1.441 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.559 -0.282 0.816 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.735 -0.957 1.521 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.813 -1.060 0.970 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.571 -1.432 2.726 1.00 0.00 N ATOM 0 H GLN A 87 -4.105 -2.401 1.674 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.101 -2.750 1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.182 -0.439 2.476 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.400 -0.353 0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.636 0.801 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.576 -0.512 -0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.666 -1.346 3.189 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.347 -1.889 3.204 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.039 -2.693 -0.677 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.941 -3.112 -2.102 1.00 0.00 C ATOM 1260 C ILE A 88 -4.463 -4.556 -2.205 1.00 0.00 C ATOM 1261 O ILE A 88 -3.686 -5.032 -1.403 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.919 -2.186 -2.774 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.732 -0.890 -1.972 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.412 -1.838 -4.177 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -2.961 0.131 -2.816 1.00 0.00 C ATOM 0 H ILE A 88 -4.169 -2.370 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.916 -3.046 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.961 -2.703 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.702 -0.483 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.190 -1.097 -1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.692 -1.180 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.521 -2.752 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.376 -1.334 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.829 1.050 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.985 -0.277 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.520 0.347 -3.727 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.914 -5.241 -3.210 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.493 -6.648 -3.418 1.00 0.00 C ATOM 1279 C ILE A 89 -3.606 -6.712 -4.658 1.00 0.00 C ATOM 1280 O ILE A 89 -3.610 -5.811 -5.473 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.794 -7.419 -3.640 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.517 -7.617 -2.304 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.475 -8.779 -4.256 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.528 -8.114 -1.248 1.00 0.00 C ATOM 0 H ILE A 89 -5.566 -4.881 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.927 -7.059 -2.582 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.439 -6.854 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.967 -6.678 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.328 -8.335 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.401 -9.332 -4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.968 -8.636 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.828 -9.341 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.047 -8.253 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.099 -9.063 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.732 -7.380 -1.121 1.00 0.00 H new ATOM 1296 N MET A 90 -2.843 -7.753 -4.820 1.00 0.00 N ATOM 1297 CA MET A 90 -1.976 -7.825 -6.021 1.00 0.00 C ATOM 1298 C MET A 90 -2.468 -8.904 -6.980 1.00 0.00 C ATOM 1299 O MET A 90 -2.601 -10.057 -6.622 1.00 0.00 O ATOM 1300 CB MET A 90 -0.576 -8.171 -5.507 1.00 0.00 C ATOM 1301 CG MET A 90 0.493 -7.381 -6.283 1.00 0.00 C ATOM 1302 SD MET A 90 -0.011 -7.133 -8.008 1.00 0.00 S ATOM 1303 CE MET A 90 0.907 -5.603 -8.285 1.00 0.00 C ATOM 0 H MET A 90 -2.783 -8.546 -4.182 1.00 0.00 H new ATOM 0 HA MET A 90 -1.984 -6.884 -6.571 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.506 -7.942 -4.444 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.396 -9.241 -5.615 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.656 -6.415 -5.805 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.442 -7.917 -6.250 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.391 -4.999 -9.032 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.975 -5.045 -7.351 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.910 -5.840 -8.640 1.00 0.00 H new ATOM 1313 N THR A 91 -2.726 -8.539 -8.201 1.00 0.00 N ATOM 1314 CA THR A 91 -3.197 -9.548 -9.195 1.00 0.00 C ATOM 1315 C THR A 91 -2.097 -9.801 -10.233 1.00 0.00 C ATOM 1316 O THR A 91 -1.121 -9.079 -10.289 1.00 0.00 O ATOM 1317 CB THR A 91 -4.437 -8.937 -9.852 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.038 -8.038 -10.871 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.270 -8.191 -8.806 1.00 0.00 C ATOM 0 H THR A 91 -2.633 -7.588 -8.557 1.00 0.00 H new ATOM 0 HA THR A 91 -3.431 -10.506 -8.732 1.00 0.00 H new ATOM 0 HB THR A 91 -5.041 -9.734 -10.285 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.259 -7.526 -10.569 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.150 -7.759 -9.282 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.583 -8.886 -8.027 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.670 -7.396 -8.363 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.284 -10.832 -11.012 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.284 -11.196 -12.048 1.00 0.00 C ATOM 1329 C PRO A 92 -1.314 -10.218 -13.230 1.00 0.00 C ATOM 1330 O PRO A 92 -0.537 -10.335 -14.156 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.717 -12.594 -12.483 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.176 -12.672 -12.163 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.431 -11.745 -11.002 1.00 0.00 C ATOM 0 HA PRO A 92 -0.261 -11.161 -11.673 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.539 -12.748 -13.547 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.156 -13.363 -11.952 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.775 -12.381 -13.026 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.459 -13.693 -11.909 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.370 -11.205 -11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.496 -12.293 -10.062 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.191 -9.251 -13.211 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.240 -8.277 -14.344 1.00 0.00 C ATOM 1343 C GLU A 93 -1.743 -6.902 -13.883 1.00 0.00 C ATOM 1344 O GLU A 93 -1.284 -6.099 -14.671 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.711 -8.214 -14.762 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.553 -7.662 -13.611 1.00 0.00 C ATOM 1347 CD GLU A 93 -5.743 -6.884 -14.178 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -5.513 -5.863 -14.804 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.863 -7.324 -13.975 1.00 0.00 O ATOM 0 H GLU A 93 -2.871 -9.092 -12.468 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.602 -8.580 -15.174 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.822 -7.581 -15.642 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.063 -9.208 -15.038 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.905 -8.478 -12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.946 -7.011 -12.981 1.00 0.00 H new ATOM 1356 N LEU A 94 -1.827 -6.629 -12.610 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.356 -5.312 -12.085 1.00 0.00 C ATOM 1358 C LEU A 94 0.075 -5.437 -11.620 1.00 0.00 C ATOM 1359 O LEU A 94 0.489 -4.838 -10.653 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.262 -5.027 -10.897 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.727 -5.014 -11.348 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.533 -4.095 -10.428 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -3.823 -4.515 -12.798 1.00 0.00 C ATOM 0 H LEU A 94 -2.203 -7.264 -11.906 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.393 -4.522 -12.835 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.116 -5.785 -10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.001 -4.067 -10.452 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.131 -6.025 -11.295 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.575 -4.084 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.471 -4.461 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.128 -3.084 -10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.867 -4.508 -13.112 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.418 -3.505 -12.863 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.252 -5.177 -13.449 1.00 0.00 H new ATOM 1375 N ASP A 95 0.813 -6.250 -12.282 1.00 0.00 N ATOM 1376 CA ASP A 95 2.212 -6.483 -11.867 1.00 0.00 C ATOM 1377 C ASP A 95 3.155 -5.383 -12.348 1.00 0.00 C ATOM 1378 O ASP A 95 3.000 -4.829 -13.418 1.00 0.00 O ATOM 1379 CB ASP A 95 2.566 -7.824 -12.498 1.00 0.00 C ATOM 1380 CG ASP A 95 2.294 -7.768 -14.002 1.00 0.00 C ATOM 1381 OD1 ASP A 95 1.142 -7.899 -14.381 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.243 -7.595 -14.750 1.00 0.00 O ATOM 0 H ASP A 95 0.511 -6.773 -13.104 1.00 0.00 H new ATOM 0 HA ASP A 95 2.316 -6.481 -10.782 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.615 -8.058 -12.316 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.978 -8.620 -12.041 1.00 0.00 H new ATOM 1387 N GLY A 96 4.132 -5.067 -11.537 1.00 0.00 N ATOM 1388 CA GLY A 96 5.093 -3.994 -11.894 1.00 0.00 C ATOM 1389 C GLY A 96 4.691 -2.747 -11.128 1.00 0.00 C ATOM 1390 O GLY A 96 4.998 -1.636 -11.512 1.00 0.00 O ATOM 0 H GLY A 96 4.302 -5.514 -10.636 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.110 -4.290 -11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.076 -3.806 -12.968 1.00 0.00 H new ATOM 1394 N ILE A 97 3.964 -2.928 -10.064 1.00 0.00 N ATOM 1395 CA ILE A 97 3.471 -1.761 -9.301 1.00 0.00 C ATOM 1396 C ILE A 97 4.542 -1.070 -8.480 1.00 0.00 C ATOM 1397 O ILE A 97 5.551 -1.629 -8.100 1.00 0.00 O ATOM 1398 CB ILE A 97 2.380 -2.295 -8.377 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.851 -1.144 -7.524 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.957 -3.372 -7.461 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.506 -1.534 -6.918 1.00 0.00 C ATOM 0 H ILE A 97 3.691 -3.838 -9.692 1.00 0.00 H new ATOM 0 HA ILE A 97 3.112 -1.005 -9.999 1.00 0.00 H new ATOM 0 HB ILE A 97 1.575 -2.725 -8.973 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.563 -0.907 -6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.741 -0.247 -8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.173 -3.749 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.350 -4.191 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.761 -2.946 -6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.129 -0.712 -6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.204 -1.750 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.631 -2.419 -6.295 1.00 0.00 H new ATOM 1413 N VAL A 98 4.265 0.159 -8.195 1.00 0.00 N ATOM 1414 CA VAL A 98 5.167 1.000 -7.372 1.00 0.00 C ATOM 1415 C VAL A 98 4.377 1.513 -6.167 1.00 0.00 C ATOM 1416 O VAL A 98 3.365 2.168 -6.321 1.00 0.00 O ATOM 1417 CB VAL A 98 5.568 2.164 -8.285 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.645 3.005 -7.597 1.00 0.00 C ATOM 1419 CG2 VAL A 98 6.119 1.611 -9.600 1.00 0.00 C ATOM 0 H VAL A 98 3.420 0.636 -8.509 1.00 0.00 H new ATOM 0 HA VAL A 98 6.042 0.465 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 98 4.695 2.785 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.930 3.833 -8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.255 3.398 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.518 2.384 -7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.405 2.437 -10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.992 0.991 -9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.354 1.010 -10.091 1.00 0.00 H new ATOM 1429 N VAL A 99 4.810 1.225 -4.973 1.00 0.00 N ATOM 1430 CA VAL A 99 4.045 1.712 -3.788 1.00 0.00 C ATOM 1431 C VAL A 99 4.757 2.882 -3.178 1.00 0.00 C ATOM 1432 O VAL A 99 5.794 3.311 -3.630 1.00 0.00 O ATOM 1433 CB VAL A 99 4.059 0.604 -2.732 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.807 0.681 -1.859 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.131 -0.753 -3.379 1.00 0.00 C ATOM 0 H VAL A 99 5.648 0.682 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 99 3.035 1.985 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 99 4.943 0.748 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.834 -0.114 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.772 1.648 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.921 0.564 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.140 -1.524 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.264 -0.895 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.042 -0.825 -3.974 1.00 0.00 H new ATOM 1445 N ASP A 100 4.225 3.347 -2.110 1.00 0.00 N ATOM 1446 CA ASP A 100 4.873 4.449 -1.383 1.00 0.00 C ATOM 1447 C ASP A 100 4.335 4.490 0.035 1.00 0.00 C ATOM 1448 O ASP A 100 3.157 4.331 0.268 1.00 0.00 O ATOM 1449 CB ASP A 100 4.529 5.748 -2.114 1.00 0.00 C ATOM 1450 CG ASP A 100 5.077 5.722 -3.540 1.00 0.00 C ATOM 1451 OD1 ASP A 100 4.374 5.242 -4.415 1.00 0.00 O ATOM 1452 OD2 ASP A 100 6.191 6.180 -3.735 1.00 0.00 O ATOM 0 H ASP A 100 3.355 3.009 -1.699 1.00 0.00 H new ATOM 0 HA ASP A 100 5.954 4.315 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.448 5.884 -2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.946 6.598 -1.573 1.00 0.00 H new ATOM 1457 N VAL A 101 5.177 4.713 0.981 1.00 0.00 N ATOM 1458 CA VAL A 101 4.685 4.780 2.383 1.00 0.00 C ATOM 1459 C VAL A 101 4.591 6.247 2.808 1.00 0.00 C ATOM 1460 O VAL A 101 5.584 6.944 2.855 1.00 0.00 O ATOM 1461 CB VAL A 101 5.709 4.019 3.229 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.141 3.796 4.633 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.999 2.658 2.587 1.00 0.00 C ATOM 0 H VAL A 101 6.180 4.852 0.857 1.00 0.00 H new ATOM 0 HA VAL A 101 3.695 4.340 2.501 1.00 0.00 H new ATOM 0 HB VAL A 101 6.630 4.600 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.868 3.254 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.929 4.759 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.221 3.216 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.728 2.119 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.077 2.079 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.398 2.807 1.584 1.00 0.00 H new ATOM 1473 N PRO A 102 3.388 6.670 3.090 1.00 0.00 N ATOM 1474 CA PRO A 102 3.153 8.075 3.498 1.00 0.00 C ATOM 1475 C PRO A 102 3.852 8.356 4.836 1.00 0.00 C ATOM 1476 O PRO A 102 4.335 7.452 5.488 1.00 0.00 O ATOM 1477 CB PRO A 102 1.633 8.162 3.617 1.00 0.00 C ATOM 1478 CG PRO A 102 1.184 6.756 3.832 1.00 0.00 C ATOM 1479 CD PRO A 102 2.150 5.889 3.071 1.00 0.00 C ATOM 0 HA PRO A 102 3.549 8.811 2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.338 8.803 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.190 8.585 2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.186 6.504 4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.165 6.613 3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.280 4.917 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.808 5.702 2.053 1.00 0.00 H new