USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=26 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 70 MET CE :methyl -142:sc= -20.5! (180deg=-23.9!) USER MOD Set 1.2: A 87 GLN : amide:sc= -19.4! C(o=-40!,f=-54!) USER MOD Set 2.1: A 49 HIS : no HE2:sc= -18.6! C(o=-19!,f=-25!) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 24 MET CE :methyl 142:sc= -4.16! (180deg=-3.32!) USER MOD Set 3.2: A 39 CYS SG : rot 169:sc= 0.325 USER MOD Set 3.3: A 45 CYS SG : rot -142:sc= -15.9! USER MOD Set 3.4: A 47 THR OG1 : rot 180:sc= 0.0309 USER MOD Set 3.5: A 48 CYS SG : rot 127:sc= -0.187 USER MOD Set 3.6: A 86 CYS SG : rot -81:sc= -8.76! USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0.266 USER MOD Set 4.2: A 25 GLN : amide:sc= -3.95! C(o=-3.7!,f=-2.3!) USER MOD Single : A 1 SER N :NH3+ 166:sc= -2.56 (180deg=-2.93!) USER MOD Single : A 1 SER OG : rot -142:sc= -1.73! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -89:sc= -6.74! USER MOD Single : A 7 SER OG : rot -60:sc= -2.78! USER MOD Single : A 8 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-5!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 90:sc= 0.525 USER MOD Single : A 30 ASN : amide:sc= -8.16! C(o=-8.2!,f=-5.9!) USER MOD Single : A 33 TYR OH : rot -91:sc= -3.05! USER MOD Single : A 42 SER OG : rot -75:sc= 1.02 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -17.4! C(o=-17!,f=-27!) USER MOD Single : A 57 THR OG1 : rot 90:sc= -1.27 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.41! C(o=-5.4!,f=-4.4!) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0051 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= -2.25! C(o=-2.2!,f=-13!) USER MOD Single : A 82 SER OG : rot -123:sc= -8.02! USER MOD Single : A 85 SER OG : rot -177:sc= -8.78! USER MOD Single : A 90 MET CE :methyl 179:sc= -4.46! (180deg=-4.56!) USER MOD Single : A 91 THR OG1 : rot -150:sc= -1.88! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.469 -10.974 -9.231 1.00 0.00 N ATOM 2 CA SER A 1 2.812 -9.638 -9.800 1.00 0.00 C ATOM 3 C SER A 1 4.063 -9.077 -9.120 1.00 0.00 C ATOM 4 O SER A 1 4.379 -9.411 -7.996 1.00 0.00 O ATOM 5 CB SER A 1 1.606 -8.748 -9.496 1.00 0.00 C ATOM 6 OG SER A 1 0.508 -9.556 -9.096 1.00 0.00 O ATOM 0 H1 SER A 1 1.505 -11.237 -9.520 1.00 0.00 H new ATOM 0 H2 SER A 1 3.142 -11.684 -9.583 1.00 0.00 H new ATOM 0 H3 SER A 1 2.521 -10.933 -8.193 1.00 0.00 H new ATOM 0 HA SER A 1 3.022 -9.693 -10.868 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.855 -8.038 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.340 -8.165 -10.378 1.00 0.00 H new ATOM 0 HG SER A 1 -0.322 -9.184 -9.462 1.00 0.00 H new ATOM 14 N LYS A 2 4.771 -8.217 -9.793 1.00 0.00 N ATOM 15 CA LYS A 2 5.993 -7.619 -9.186 1.00 0.00 C ATOM 16 C LYS A 2 5.620 -6.337 -8.445 1.00 0.00 C ATOM 17 O LYS A 2 5.090 -5.414 -9.030 1.00 0.00 O ATOM 18 CB LYS A 2 6.901 -7.294 -10.372 1.00 0.00 C ATOM 19 CG LYS A 2 8.363 -7.349 -9.927 1.00 0.00 C ATOM 20 CD LYS A 2 9.205 -6.435 -10.821 1.00 0.00 C ATOM 21 CE LYS A 2 10.690 -6.726 -10.597 1.00 0.00 C ATOM 22 NZ LYS A 2 11.385 -5.450 -10.921 1.00 0.00 N ATOM 0 H LYS A 2 4.557 -7.901 -10.739 1.00 0.00 H new ATOM 0 HA LYS A 2 6.475 -8.286 -8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.729 -8.005 -11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.666 -6.304 -10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.449 -7.037 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.733 -8.373 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.946 -6.595 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.990 -5.390 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.882 -7.030 -9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.035 -7.537 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.410 -5.570 -10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.190 -5.189 -11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.042 -4.698 -10.290 1.00 0.00 H new ATOM 36 N VAL A 3 5.887 -6.253 -7.170 1.00 0.00 N ATOM 37 CA VAL A 3 5.530 -5.007 -6.448 1.00 0.00 C ATOM 38 C VAL A 3 6.769 -4.405 -5.799 1.00 0.00 C ATOM 39 O VAL A 3 7.633 -5.104 -5.307 1.00 0.00 O ATOM 40 CB VAL A 3 4.505 -5.421 -5.389 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.496 -4.405 -4.233 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.117 -5.482 -6.025 1.00 0.00 C ATOM 0 H VAL A 3 6.329 -6.981 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 3 5.122 -4.249 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 3 4.774 -6.401 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.763 -4.710 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.485 -4.365 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.234 -3.419 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.385 -5.777 -5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.855 -4.501 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.119 -6.212 -6.835 1.00 0.00 H new ATOM 52 N VAL A 4 6.850 -3.111 -5.780 1.00 0.00 N ATOM 53 CA VAL A 4 8.018 -2.453 -5.147 1.00 0.00 C ATOM 54 C VAL A 4 7.529 -1.387 -4.190 1.00 0.00 C ATOM 55 O VAL A 4 6.793 -0.489 -4.548 1.00 0.00 O ATOM 56 CB VAL A 4 8.827 -1.847 -6.287 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.812 -0.819 -5.728 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.601 -2.954 -7.008 1.00 0.00 C ATOM 0 H VAL A 4 6.156 -2.478 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 4 8.631 -3.148 -4.573 1.00 0.00 H new ATOM 0 HB VAL A 4 8.152 -1.357 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.390 -0.387 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.262 -0.030 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.487 -1.307 -5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.180 -2.521 -7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.275 -3.444 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.900 -3.686 -7.409 1.00 0.00 H new ATOM 68 N TYR A 5 7.918 -1.505 -2.966 1.00 0.00 N ATOM 69 CA TYR A 5 7.472 -0.536 -1.948 1.00 0.00 C ATOM 70 C TYR A 5 8.512 0.541 -1.731 1.00 0.00 C ATOM 71 O TYR A 5 9.698 0.292 -1.727 1.00 0.00 O ATOM 72 CB TYR A 5 7.319 -1.362 -0.690 1.00 0.00 C ATOM 73 CG TYR A 5 6.475 -2.561 -0.996 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.139 -2.371 -1.342 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.003 -3.859 -0.893 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.320 -3.475 -1.598 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.183 -4.954 -1.132 1.00 0.00 C ATOM 78 CZ TYR A 5 4.842 -4.771 -1.489 1.00 0.00 C ATOM 79 OH TYR A 5 4.035 -5.865 -1.726 1.00 0.00 O ATOM 0 H TYR A 5 8.534 -2.241 -2.621 1.00 0.00 H new ATOM 0 HA TYR A 5 6.553 -0.028 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.297 -1.673 -0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.857 -0.767 0.098 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.736 -1.371 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.040 -4.004 -0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.287 -3.329 -1.879 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.583 -5.953 -1.042 1.00 0.00 H new ATOM 0 HH TYR A 5 3.596 -6.135 -0.892 1.00 0.00 H new ATOM 89 N VAL A 6 8.062 1.734 -1.533 1.00 0.00 N ATOM 90 CA VAL A 6 9.019 2.853 -1.289 1.00 0.00 C ATOM 91 C VAL A 6 8.869 3.379 0.132 1.00 0.00 C ATOM 92 O VAL A 6 7.860 3.953 0.487 1.00 0.00 O ATOM 93 CB VAL A 6 8.651 3.957 -2.277 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.831 4.927 -2.419 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.325 3.347 -3.635 1.00 0.00 C ATOM 0 H VAL A 6 7.076 1.994 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 6 10.048 2.518 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 6 7.778 4.495 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.570 5.716 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.058 5.368 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.704 4.387 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.063 4.139 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.194 2.805 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.485 2.660 -3.533 1.00 0.00 H new ATOM 105 N SER A 7 9.874 3.224 0.942 1.00 0.00 N ATOM 106 CA SER A 7 9.784 3.758 2.316 1.00 0.00 C ATOM 107 C SER A 7 10.066 5.251 2.239 1.00 0.00 C ATOM 108 O SER A 7 11.066 5.671 1.698 1.00 0.00 O ATOM 109 CB SER A 7 10.856 3.022 3.117 1.00 0.00 C ATOM 110 OG SER A 7 11.759 3.965 3.677 1.00 0.00 O ATOM 0 H SER A 7 10.748 2.752 0.710 1.00 0.00 H new ATOM 0 HA SER A 7 8.810 3.616 2.785 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.393 2.432 3.908 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.393 2.326 2.473 1.00 0.00 H new ATOM 0 HG SER A 7 12.187 4.475 2.958 1.00 0.00 H new ATOM 116 N HIS A 8 9.167 6.044 2.732 1.00 0.00 N ATOM 117 CA HIS A 8 9.327 7.532 2.670 1.00 0.00 C ATOM 118 C HIS A 8 10.800 7.960 2.754 1.00 0.00 C ATOM 119 O HIS A 8 11.183 8.976 2.208 1.00 0.00 O ATOM 120 CB HIS A 8 8.534 8.089 3.855 1.00 0.00 C ATOM 121 CG HIS A 8 8.512 7.109 4.993 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.326 6.672 5.534 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.508 6.482 5.700 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.622 5.813 6.527 1.00 0.00 C ATOM 125 NE2 HIS A 8 8.941 5.661 6.672 1.00 0.00 N ATOM 0 H HIS A 8 8.310 5.727 3.185 1.00 0.00 H new ATOM 0 HA HIS A 8 8.961 7.916 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.979 9.027 4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.514 8.312 3.542 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.567 6.606 5.529 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.883 5.308 7.132 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.427 5.072 7.348 1.00 0.00 H new ATOM 133 N ASP A 9 11.633 7.207 3.420 1.00 0.00 N ATOM 134 CA ASP A 9 13.071 7.604 3.507 1.00 0.00 C ATOM 135 C ASP A 9 13.729 7.511 2.125 1.00 0.00 C ATOM 136 O ASP A 9 14.842 7.952 1.922 1.00 0.00 O ATOM 137 CB ASP A 9 13.705 6.621 4.502 1.00 0.00 C ATOM 138 CG ASP A 9 14.107 5.323 3.791 1.00 0.00 C ATOM 139 OD1 ASP A 9 13.562 5.052 2.736 1.00 0.00 O ATOM 140 OD2 ASP A 9 14.955 4.623 4.319 1.00 0.00 O ATOM 0 H ASP A 9 11.386 6.343 3.903 1.00 0.00 H new ATOM 0 HA ASP A 9 13.199 8.634 3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.581 7.076 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.000 6.400 5.304 1.00 0.00 H new ATOM 145 N GLY A 10 13.039 6.943 1.174 1.00 0.00 N ATOM 146 CA GLY A 10 13.606 6.821 -0.200 1.00 0.00 C ATOM 147 C GLY A 10 13.931 5.356 -0.511 1.00 0.00 C ATOM 148 O GLY A 10 13.844 4.923 -1.643 1.00 0.00 O ATOM 0 H GLY A 10 12.102 6.556 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.894 7.206 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.508 7.427 -0.284 1.00 0.00 H new ATOM 152 N THR A 11 14.299 4.585 0.477 1.00 0.00 N ATOM 153 CA THR A 11 14.620 3.161 0.221 1.00 0.00 C ATOM 154 C THR A 11 13.384 2.457 -0.322 1.00 0.00 C ATOM 155 O THR A 11 12.288 2.611 0.179 1.00 0.00 O ATOM 156 CB THR A 11 15.040 2.582 1.575 1.00 0.00 C ATOM 157 OG1 THR A 11 15.817 1.411 1.365 1.00 0.00 O ATOM 158 CG2 THR A 11 13.802 2.228 2.402 1.00 0.00 C ATOM 0 H THR A 11 14.390 4.884 1.448 1.00 0.00 H new ATOM 0 HA THR A 11 15.413 3.034 -0.516 1.00 0.00 H new ATOM 0 HB THR A 11 15.628 3.325 2.114 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.089 1.039 2.230 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.112 1.817 3.363 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.205 3.125 2.566 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.206 1.489 1.867 1.00 0.00 H new ATOM 166 N ARG A 12 13.560 1.703 -1.352 1.00 0.00 N ATOM 167 CA ARG A 12 12.402 0.991 -1.962 1.00 0.00 C ATOM 168 C ARG A 12 12.593 -0.528 -1.903 1.00 0.00 C ATOM 169 O ARG A 12 13.629 -1.051 -2.261 1.00 0.00 O ATOM 170 CB ARG A 12 12.373 1.466 -3.415 1.00 0.00 C ATOM 171 CG ARG A 12 11.351 2.595 -3.562 1.00 0.00 C ATOM 172 CD ARG A 12 11.543 3.284 -4.915 1.00 0.00 C ATOM 173 NE ARG A 12 12.436 4.442 -4.633 1.00 0.00 N ATOM 174 CZ ARG A 12 12.904 5.160 -5.618 1.00 0.00 C ATOM 175 NH1 ARG A 12 13.162 4.600 -6.768 1.00 0.00 N ATOM 176 NH2 ARG A 12 13.114 6.437 -5.451 1.00 0.00 N ATOM 0 H ARG A 12 14.458 1.541 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 12 11.473 1.205 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.361 1.814 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.113 0.638 -4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.339 2.196 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.472 3.317 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.991 2.607 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.590 3.612 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 12 12.682 4.674 -3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.998 3.602 -6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.528 5.161 -7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.913 6.874 -4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.480 6.999 -6.220 1.00 0.00 H new ATOM 190 N ARG A 13 11.587 -1.241 -1.470 1.00 0.00 N ATOM 191 CA ARG A 13 11.692 -2.727 -1.406 1.00 0.00 C ATOM 192 C ARG A 13 10.927 -3.342 -2.576 1.00 0.00 C ATOM 193 O ARG A 13 9.947 -2.795 -3.034 1.00 0.00 O ATOM 194 CB ARG A 13 11.032 -3.129 -0.087 1.00 0.00 C ATOM 195 CG ARG A 13 11.540 -4.508 0.329 1.00 0.00 C ATOM 196 CD ARG A 13 11.912 -4.493 1.813 1.00 0.00 C ATOM 197 NE ARG A 13 13.166 -3.691 1.886 1.00 0.00 N ATOM 198 CZ ARG A 13 14.223 -4.184 2.471 1.00 0.00 C ATOM 199 NH1 ARG A 13 15.077 -4.894 1.786 1.00 0.00 N ATOM 200 NH2 ARG A 13 14.424 -3.968 3.742 1.00 0.00 N ATOM 0 H ARG A 13 10.695 -0.857 -1.157 1.00 0.00 H new ATOM 0 HA ARG A 13 12.726 -3.068 -1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.261 -2.396 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.948 -3.146 -0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.773 -5.260 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.408 -4.783 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.121 -4.045 2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.067 -5.503 2.192 1.00 0.00 H new ATOM 0 HE ARG A 13 13.198 -2.756 1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.918 -5.064 0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.903 -5.279 2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.755 -3.414 4.277 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.250 -4.353 4.200 1.00 0.00 H new ATOM 214 N GLU A 14 11.351 -4.471 -3.068 1.00 0.00 N ATOM 215 CA GLU A 14 10.610 -5.081 -4.205 1.00 0.00 C ATOM 216 C GLU A 14 10.306 -6.552 -3.932 1.00 0.00 C ATOM 217 O GLU A 14 11.190 -7.358 -3.718 1.00 0.00 O ATOM 218 CB GLU A 14 11.526 -4.926 -5.418 1.00 0.00 C ATOM 219 CG GLU A 14 12.102 -3.509 -5.447 1.00 0.00 C ATOM 220 CD GLU A 14 12.861 -3.292 -6.757 1.00 0.00 C ATOM 221 OE1 GLU A 14 12.538 -3.963 -7.725 1.00 0.00 O ATOM 222 OE2 GLU A 14 13.753 -2.460 -6.771 1.00 0.00 O ATOM 0 H GLU A 14 12.165 -4.991 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 14 9.647 -4.596 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.333 -5.657 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.969 -5.122 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.300 -2.777 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.770 -3.359 -4.599 1.00 0.00 H new ATOM 229 N LEU A 15 9.050 -6.894 -3.916 1.00 0.00 N ATOM 230 CA LEU A 15 8.645 -8.284 -3.638 1.00 0.00 C ATOM 231 C LEU A 15 7.934 -8.914 -4.821 1.00 0.00 C ATOM 232 O LEU A 15 7.663 -8.285 -5.825 1.00 0.00 O ATOM 233 CB LEU A 15 7.663 -8.130 -2.495 1.00 0.00 C ATOM 234 CG LEU A 15 8.452 -8.110 -1.211 1.00 0.00 C ATOM 235 CD1 LEU A 15 8.662 -6.699 -0.773 1.00 0.00 C ATOM 236 CD2 LEU A 15 7.691 -8.805 -0.107 1.00 0.00 C ATOM 0 H LEU A 15 8.277 -6.251 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 15 9.501 -8.923 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.089 -7.210 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.948 -8.953 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 15 9.400 -8.615 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.233 -6.687 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.211 -6.157 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.696 -6.221 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.278 -8.780 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.741 -8.297 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.505 -9.841 -0.390 1.00 0.00 H new ATOM 248 N ASP A 16 7.590 -10.152 -4.669 1.00 0.00 N ATOM 249 CA ASP A 16 6.838 -10.861 -5.729 1.00 0.00 C ATOM 250 C ASP A 16 5.407 -11.017 -5.232 1.00 0.00 C ATOM 251 O ASP A 16 5.037 -12.026 -4.666 1.00 0.00 O ATOM 252 CB ASP A 16 7.523 -12.220 -5.881 1.00 0.00 C ATOM 253 CG ASP A 16 8.550 -12.151 -7.011 1.00 0.00 C ATOM 254 OD1 ASP A 16 8.980 -11.054 -7.329 1.00 0.00 O ATOM 255 OD2 ASP A 16 8.891 -13.197 -7.541 1.00 0.00 O ATOM 0 H ASP A 16 7.800 -10.713 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 16 6.822 -10.341 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.012 -12.499 -4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.782 -12.990 -6.095 1.00 0.00 H new ATOM 260 N VAL A 17 4.612 -10.002 -5.402 1.00 0.00 N ATOM 261 CA VAL A 17 3.217 -10.060 -4.901 1.00 0.00 C ATOM 262 C VAL A 17 2.264 -10.422 -6.032 1.00 0.00 C ATOM 263 O VAL A 17 2.289 -9.838 -7.096 1.00 0.00 O ATOM 264 CB VAL A 17 2.944 -8.650 -4.384 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.540 -8.588 -3.795 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.967 -8.304 -3.302 1.00 0.00 C ATOM 0 H VAL A 17 4.870 -9.132 -5.868 1.00 0.00 H new ATOM 0 HA VAL A 17 3.076 -10.815 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 17 3.024 -7.937 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.345 -7.581 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.811 -8.840 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.459 -9.298 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.776 -7.298 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.884 -9.017 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.971 -8.351 -3.723 1.00 0.00 H new ATOM 276 N ALA A 18 1.436 -11.399 -5.812 1.00 0.00 N ATOM 277 CA ALA A 18 0.493 -11.821 -6.887 1.00 0.00 C ATOM 278 C ALA A 18 -0.889 -12.151 -6.323 1.00 0.00 C ATOM 279 O ALA A 18 -1.180 -11.921 -5.167 1.00 0.00 O ATOM 280 CB ALA A 18 1.118 -13.077 -7.485 1.00 0.00 C ATOM 0 H ALA A 18 1.368 -11.924 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 18 0.348 -11.027 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.483 -13.453 -8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.104 -12.838 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.215 -13.839 -6.712 1.00 0.00 H new ATOM 286 N ASP A 19 -1.737 -12.694 -7.151 1.00 0.00 N ATOM 287 CA ASP A 19 -3.104 -13.057 -6.709 1.00 0.00 C ATOM 288 C ASP A 19 -3.063 -13.679 -5.316 1.00 0.00 C ATOM 289 O ASP A 19 -2.504 -14.737 -5.102 1.00 0.00 O ATOM 290 CB ASP A 19 -3.593 -14.065 -7.754 1.00 0.00 C ATOM 291 CG ASP A 19 -2.946 -15.429 -7.507 1.00 0.00 C ATOM 292 OD1 ASP A 19 -3.518 -16.208 -6.762 1.00 0.00 O ATOM 293 OD2 ASP A 19 -1.891 -15.672 -8.067 1.00 0.00 O ATOM 0 H ASP A 19 -1.534 -12.903 -8.128 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.767 -12.194 -6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.678 -14.154 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.346 -13.712 -8.755 1.00 0.00 H new ATOM 298 N GLY A 20 -3.655 -13.023 -4.366 1.00 0.00 N ATOM 299 CA GLY A 20 -3.661 -13.565 -2.981 1.00 0.00 C ATOM 300 C GLY A 20 -2.778 -12.704 -2.076 1.00 0.00 C ATOM 301 O GLY A 20 -2.939 -12.697 -0.873 1.00 0.00 O ATOM 0 H GLY A 20 -4.137 -12.132 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.680 -13.586 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.300 -14.593 -2.983 1.00 0.00 H new ATOM 305 N VAL A 21 -1.848 -11.973 -2.632 1.00 0.00 N ATOM 306 CA VAL A 21 -0.982 -11.124 -1.768 1.00 0.00 C ATOM 307 C VAL A 21 -1.332 -9.646 -1.932 1.00 0.00 C ATOM 308 O VAL A 21 -1.886 -9.221 -2.926 1.00 0.00 O ATOM 309 CB VAL A 21 0.457 -11.363 -2.216 1.00 0.00 C ATOM 310 CG1 VAL A 21 1.410 -10.968 -1.087 1.00 0.00 C ATOM 311 CG2 VAL A 21 0.672 -12.839 -2.556 1.00 0.00 C ATOM 0 H VAL A 21 -1.653 -11.928 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.124 -11.381 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 21 0.653 -10.761 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.439 -11.137 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.273 -9.914 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.198 -11.571 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.703 -12.993 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.469 -13.449 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.003 -13.129 -3.361 1.00 0.00 H new ATOM 321 N SER A 22 -0.995 -8.871 -0.949 1.00 0.00 N ATOM 322 CA SER A 22 -1.270 -7.405 -0.984 1.00 0.00 C ATOM 323 C SER A 22 0.055 -6.643 -0.855 1.00 0.00 C ATOM 324 O SER A 22 1.062 -7.215 -0.489 1.00 0.00 O ATOM 325 CB SER A 22 -2.156 -7.150 0.240 1.00 0.00 C ATOM 326 OG SER A 22 -2.290 -8.351 0.992 1.00 0.00 O ATOM 0 H SER A 22 -0.530 -9.194 -0.101 1.00 0.00 H new ATOM 0 HA SER A 22 -1.749 -7.080 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.719 -6.367 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.137 -6.796 -0.076 1.00 0.00 H new ATOM 0 HG SER A 22 -2.856 -8.185 1.775 1.00 0.00 H new ATOM 332 N LEU A 23 0.082 -5.359 -1.124 1.00 0.00 N ATOM 333 CA LEU A 23 1.378 -4.631 -0.966 1.00 0.00 C ATOM 334 C LEU A 23 1.833 -4.795 0.474 1.00 0.00 C ATOM 335 O LEU A 23 2.995 -4.660 0.796 1.00 0.00 O ATOM 336 CB LEU A 23 1.115 -3.145 -1.254 1.00 0.00 C ATOM 337 CG LEU A 23 0.995 -2.910 -2.765 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.092 -3.969 -3.395 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.403 -1.522 -3.013 1.00 0.00 C ATOM 0 H LEU A 23 -0.711 -4.799 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 23 2.141 -5.016 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.199 -2.827 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.925 -2.540 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 23 1.985 -2.977 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.015 -3.790 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.515 -4.958 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.900 -3.915 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.316 -1.350 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.584 -1.460 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.055 -0.765 -2.576 1.00 0.00 H new ATOM 351 N MET A 24 0.908 -5.084 1.343 1.00 0.00 N ATOM 352 CA MET A 24 1.259 -5.259 2.770 1.00 0.00 C ATOM 353 C MET A 24 1.796 -6.654 3.021 1.00 0.00 C ATOM 354 O MET A 24 2.963 -6.842 3.252 1.00 0.00 O ATOM 355 CB MET A 24 -0.040 -5.068 3.536 1.00 0.00 C ATOM 356 CG MET A 24 0.174 -5.479 4.990 1.00 0.00 C ATOM 357 SD MET A 24 -0.960 -6.821 5.414 1.00 0.00 S ATOM 358 CE MET A 24 -0.768 -6.700 7.207 1.00 0.00 C ATOM 0 H MET A 24 -0.080 -5.206 1.121 1.00 0.00 H new ATOM 0 HA MET A 24 2.030 -4.552 3.078 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.359 -4.027 3.482 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.832 -5.668 3.088 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.205 -5.800 5.140 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.006 -4.626 5.648 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.730 -6.875 7.689 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.051 -7.447 7.547 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.407 -5.705 7.468 1.00 0.00 H new ATOM 368 N GLN A 25 0.931 -7.617 2.979 1.00 0.00 N ATOM 369 CA GLN A 25 1.320 -9.030 3.241 1.00 0.00 C ATOM 370 C GLN A 25 2.706 -9.361 2.658 1.00 0.00 C ATOM 371 O GLN A 25 3.638 -9.583 3.404 1.00 0.00 O ATOM 372 CB GLN A 25 0.204 -9.796 2.547 1.00 0.00 C ATOM 373 CG GLN A 25 0.618 -11.228 2.240 1.00 0.00 C ATOM 374 CD GLN A 25 -0.615 -11.991 1.749 1.00 0.00 C ATOM 375 OE1 GLN A 25 -0.628 -13.206 1.740 1.00 0.00 O ATOM 376 NE2 GLN A 25 -1.668 -11.323 1.333 1.00 0.00 N ATOM 0 H GLN A 25 -0.058 -7.485 2.769 1.00 0.00 H new ATOM 0 HA GLN A 25 1.419 -9.271 4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.684 -9.800 3.179 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.067 -9.288 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.400 -11.242 1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.029 -11.704 3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.660 -10.303 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.493 -11.825 1.004 1.00 0.00 H new ATOM 385 N ALA A 26 2.874 -9.386 1.356 1.00 0.00 N ATOM 386 CA ALA A 26 4.239 -9.685 0.800 1.00 0.00 C ATOM 387 C ALA A 26 5.272 -8.929 1.618 1.00 0.00 C ATOM 388 O ALA A 26 5.977 -9.486 2.435 1.00 0.00 O ATOM 389 CB ALA A 26 4.221 -9.151 -0.637 1.00 0.00 C ATOM 0 H ALA A 26 2.143 -9.217 0.665 1.00 0.00 H new ATOM 0 HA ALA A 26 4.482 -10.747 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.188 -9.335 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.440 -9.658 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.022 -8.079 -0.624 1.00 0.00 H new ATOM 395 N ALA A 27 5.337 -7.652 1.419 1.00 0.00 N ATOM 396 CA ALA A 27 6.287 -6.822 2.191 1.00 0.00 C ATOM 397 C ALA A 27 6.220 -7.234 3.669 1.00 0.00 C ATOM 398 O ALA A 27 7.227 -7.416 4.324 1.00 0.00 O ATOM 399 CB ALA A 27 5.759 -5.408 1.968 1.00 0.00 C ATOM 0 H ALA A 27 4.766 -7.141 0.746 1.00 0.00 H new ATOM 0 HA ALA A 27 7.331 -6.920 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.391 -4.696 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.771 -5.179 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.738 -5.337 2.343 1.00 0.00 H new ATOM 405 N VAL A 28 5.033 -7.404 4.183 1.00 0.00 N ATOM 406 CA VAL A 28 4.868 -7.830 5.603 1.00 0.00 C ATOM 407 C VAL A 28 5.808 -9.006 5.877 1.00 0.00 C ATOM 408 O VAL A 28 6.700 -8.928 6.697 1.00 0.00 O ATOM 409 CB VAL A 28 3.376 -8.226 5.693 1.00 0.00 C ATOM 410 CG1 VAL A 28 3.193 -9.677 6.163 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.650 -7.308 6.672 1.00 0.00 C ATOM 0 H VAL A 28 4.160 -7.264 3.674 1.00 0.00 H new ATOM 0 HA VAL A 28 5.116 -7.067 6.341 1.00 0.00 H new ATOM 0 HB VAL A 28 2.959 -8.128 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.130 -9.912 6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.682 -10.352 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.637 -9.798 7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.600 -7.594 6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.104 -7.396 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.727 -6.276 6.329 1.00 0.00 H new ATOM 421 N SER A 29 5.627 -10.084 5.170 1.00 0.00 N ATOM 422 CA SER A 29 6.522 -11.256 5.357 1.00 0.00 C ATOM 423 C SER A 29 7.962 -10.786 5.285 1.00 0.00 C ATOM 424 O SER A 29 8.794 -11.132 6.101 1.00 0.00 O ATOM 425 CB SER A 29 6.246 -12.161 4.174 1.00 0.00 C ATOM 426 OG SER A 29 5.238 -11.585 3.352 1.00 0.00 O ATOM 0 H SER A 29 4.896 -10.204 4.469 1.00 0.00 H new ATOM 0 HA SER A 29 6.357 -11.757 6.311 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.159 -12.309 3.597 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.927 -13.143 4.522 1.00 0.00 H new ATOM 0 HG SER A 29 5.655 -11.011 2.676 1.00 0.00 H new ATOM 432 N ASN A 30 8.248 -9.977 4.307 1.00 0.00 N ATOM 433 CA ASN A 30 9.619 -9.438 4.148 1.00 0.00 C ATOM 434 C ASN A 30 9.965 -8.537 5.342 1.00 0.00 C ATOM 435 O ASN A 30 11.057 -8.013 5.442 1.00 0.00 O ATOM 436 CB ASN A 30 9.525 -8.623 2.863 1.00 0.00 C ATOM 437 CG ASN A 30 10.159 -9.388 1.705 1.00 0.00 C ATOM 438 OD1 ASN A 30 11.313 -9.182 1.385 1.00 0.00 O ATOM 439 ND2 ASN A 30 9.451 -10.268 1.056 1.00 0.00 N ATOM 0 H ASN A 30 7.580 -9.664 3.603 1.00 0.00 H new ATOM 0 HA ASN A 30 10.391 -10.206 4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.481 -8.407 2.637 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.028 -7.665 2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.865 -10.784 0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.482 -10.441 1.324 1.00 0.00 H new ATOM 446 N GLY A 31 9.034 -8.350 6.245 1.00 0.00 N ATOM 447 CA GLY A 31 9.305 -7.474 7.434 1.00 0.00 C ATOM 448 C GLY A 31 9.166 -6.008 7.029 1.00 0.00 C ATOM 449 O GLY A 31 9.525 -5.107 7.761 1.00 0.00 O ATOM 0 H GLY A 31 8.102 -8.762 6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.607 -7.708 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.308 -7.663 7.817 1.00 0.00 H new ATOM 453 N ILE A 32 8.631 -5.770 5.870 1.00 0.00 N ATOM 454 CA ILE A 32 8.435 -4.376 5.388 1.00 0.00 C ATOM 455 C ILE A 32 7.327 -3.715 6.205 1.00 0.00 C ATOM 456 O ILE A 32 7.331 -2.522 6.434 1.00 0.00 O ATOM 457 CB ILE A 32 8.022 -4.586 3.937 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.093 -5.444 3.272 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.860 -3.259 3.187 1.00 0.00 C ATOM 460 CD1 ILE A 32 9.059 -5.275 1.756 1.00 0.00 C ATOM 0 H ILE A 32 8.315 -6.493 5.224 1.00 0.00 H new ATOM 0 HA ILE A 32 9.307 -3.729 5.482 1.00 0.00 H new ATOM 0 HB ILE A 32 7.051 -5.080 3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.076 -5.165 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.937 -6.492 3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.565 -3.457 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.093 -2.657 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.806 -2.718 3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.832 -5.896 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.082 -5.577 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.239 -4.230 1.502 1.00 0.00 H new ATOM 472 N TYR A 33 6.374 -4.493 6.647 1.00 0.00 N ATOM 473 CA TYR A 33 5.257 -3.909 7.456 1.00 0.00 C ATOM 474 C TYR A 33 5.333 -4.309 8.921 1.00 0.00 C ATOM 475 O TYR A 33 4.385 -4.827 9.478 1.00 0.00 O ATOM 476 CB TYR A 33 3.982 -4.458 6.852 1.00 0.00 C ATOM 477 CG TYR A 33 3.687 -3.683 5.616 1.00 0.00 C ATOM 478 CD1 TYR A 33 2.978 -2.479 5.688 1.00 0.00 C ATOM 479 CD2 TYR A 33 4.133 -4.167 4.397 1.00 0.00 C ATOM 480 CE1 TYR A 33 2.715 -1.758 4.515 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.876 -3.456 3.231 1.00 0.00 C ATOM 482 CZ TYR A 33 3.165 -2.250 3.282 1.00 0.00 C ATOM 483 OH TYR A 33 2.912 -1.547 2.121 1.00 0.00 O ATOM 0 H TYR A 33 6.318 -5.499 6.486 1.00 0.00 H new ATOM 0 HA TYR A 33 5.307 -2.820 7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.096 -5.517 6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.158 -4.374 7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.635 -2.107 6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.680 -5.097 4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.168 -0.828 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.226 -3.835 2.282 1.00 0.00 H new ATOM 0 HH TYR A 33 2.067 -1.853 1.731 1.00 0.00 H new ATOM 559 N CYS A 39 -5.181 -4.590 11.267 1.00 0.00 N ATOM 560 CA CYS A 39 -5.775 -5.300 10.091 1.00 0.00 C ATOM 561 C CYS A 39 -5.677 -6.813 10.268 1.00 0.00 C ATOM 562 O CYS A 39 -6.476 -7.559 9.737 1.00 0.00 O ATOM 563 CB CYS A 39 -4.924 -4.875 8.906 1.00 0.00 C ATOM 564 SG CYS A 39 -3.170 -5.055 9.320 1.00 0.00 S ATOM 0 HA CYS A 39 -6.830 -5.055 9.965 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.166 -5.483 8.035 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.141 -3.840 8.642 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.454 -4.916 8.244 1.00 0.00 H new ATOM 569 N GLY A 40 -4.696 -7.278 10.995 1.00 0.00 N ATOM 570 CA GLY A 40 -4.553 -8.748 11.174 1.00 0.00 C ATOM 571 C GLY A 40 -4.704 -9.403 9.804 1.00 0.00 C ATOM 572 O GLY A 40 -5.141 -10.530 9.680 1.00 0.00 O ATOM 0 H GLY A 40 -3.995 -6.708 11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.581 -8.987 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.310 -9.124 11.862 1.00 0.00 H new ATOM 576 N GLY A 41 -4.357 -8.684 8.771 1.00 0.00 N ATOM 577 CA GLY A 41 -4.489 -9.230 7.395 1.00 0.00 C ATOM 578 C GLY A 41 -5.944 -9.099 6.944 1.00 0.00 C ATOM 579 O GLY A 41 -6.464 -9.947 6.246 1.00 0.00 O ATOM 0 H GLY A 41 -3.985 -7.736 8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.833 -8.691 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.181 -10.275 7.374 1.00 0.00 H new ATOM 583 N SER A 42 -6.612 -8.043 7.339 1.00 0.00 N ATOM 584 CA SER A 42 -8.036 -7.878 6.927 1.00 0.00 C ATOM 585 C SER A 42 -8.349 -6.422 6.574 1.00 0.00 C ATOM 586 O SER A 42 -9.488 -6.066 6.341 1.00 0.00 O ATOM 587 CB SER A 42 -8.857 -8.333 8.133 1.00 0.00 C ATOM 588 OG SER A 42 -9.059 -7.229 9.006 1.00 0.00 O ATOM 0 H SER A 42 -6.236 -7.296 7.923 1.00 0.00 H new ATOM 0 HA SER A 42 -8.264 -8.459 6.033 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.817 -8.732 7.805 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.340 -9.137 8.657 1.00 0.00 H new ATOM 0 HG SER A 42 -8.230 -7.043 9.495 1.00 0.00 H new ATOM 594 N ALA A 43 -7.355 -5.584 6.509 1.00 0.00 N ATOM 595 CA ALA A 43 -7.599 -4.156 6.138 1.00 0.00 C ATOM 596 C ALA A 43 -8.332 -3.397 7.242 1.00 0.00 C ATOM 597 O ALA A 43 -9.341 -2.764 7.019 1.00 0.00 O ATOM 598 CB ALA A 43 -8.455 -4.214 4.891 1.00 0.00 C ATOM 0 H ALA A 43 -6.381 -5.822 6.696 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.659 -3.627 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.678 -3.201 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.919 -4.747 4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.386 -4.736 5.113 1.00 0.00 H new ATOM 604 N SER A 44 -7.808 -3.445 8.416 1.00 0.00 N ATOM 605 CA SER A 44 -8.401 -2.701 9.561 1.00 0.00 C ATOM 606 C SER A 44 -7.263 -1.976 10.279 1.00 0.00 C ATOM 607 O SER A 44 -7.198 -1.955 11.491 1.00 0.00 O ATOM 608 CB SER A 44 -9.022 -3.770 10.461 1.00 0.00 C ATOM 609 OG SER A 44 -10.438 -3.710 10.352 1.00 0.00 O ATOM 0 H SER A 44 -6.971 -3.980 8.647 1.00 0.00 H new ATOM 0 HA SER A 44 -9.149 -1.965 9.267 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.665 -4.758 10.171 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.718 -3.612 11.496 1.00 0.00 H new ATOM 0 HG SER A 44 -10.840 -4.395 10.926 1.00 0.00 H new ATOM 615 N CYS A 45 -6.315 -1.453 9.540 1.00 0.00 N ATOM 616 CA CYS A 45 -5.135 -0.822 10.220 1.00 0.00 C ATOM 617 C CYS A 45 -5.018 0.709 10.113 1.00 0.00 C ATOM 618 O CYS A 45 -5.451 1.349 9.188 1.00 0.00 O ATOM 619 CB CYS A 45 -3.875 -1.490 9.624 1.00 0.00 C ATOM 620 SG CYS A 45 -4.088 -1.921 7.876 1.00 0.00 S ATOM 0 H CYS A 45 -6.303 -1.433 8.520 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.259 -0.989 11.290 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.025 -0.816 9.729 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.640 -2.390 10.192 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.499 -3.054 7.634 1.00 0.00 H new ATOM 625 N ALA A 46 -4.366 1.293 11.077 1.00 0.00 N ATOM 626 CA ALA A 46 -4.141 2.762 11.050 1.00 0.00 C ATOM 627 C ALA A 46 -2.648 3.029 10.821 1.00 0.00 C ATOM 628 O ALA A 46 -2.214 4.161 10.736 1.00 0.00 O ATOM 629 CB ALA A 46 -4.579 3.269 12.423 1.00 0.00 C ATOM 0 H ALA A 46 -3.977 0.812 11.888 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.695 3.261 10.255 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.440 4.349 12.473 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.631 3.031 12.580 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.979 2.789 13.196 1.00 0.00 H new ATOM 635 N THR A 47 -1.856 1.984 10.739 1.00 0.00 N ATOM 636 CA THR A 47 -0.389 2.167 10.537 1.00 0.00 C ATOM 637 C THR A 47 0.043 1.718 9.132 1.00 0.00 C ATOM 638 O THR A 47 0.932 2.302 8.544 1.00 0.00 O ATOM 639 CB THR A 47 0.267 1.294 11.608 1.00 0.00 C ATOM 640 OG1 THR A 47 -0.359 0.019 11.631 1.00 0.00 O ATOM 641 CG2 THR A 47 0.110 1.962 12.974 1.00 0.00 C ATOM 0 H THR A 47 -2.166 1.014 10.804 1.00 0.00 H new ATOM 0 HA THR A 47 -0.099 3.214 10.620 1.00 0.00 H new ATOM 0 HB THR A 47 1.326 1.174 11.380 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.063 -0.540 12.316 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.577 1.341 13.738 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.590 2.940 12.958 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.949 2.082 13.201 1.00 0.00 H new ATOM 649 N CYS A 48 -0.567 0.700 8.576 1.00 0.00 N ATOM 650 CA CYS A 48 -0.151 0.270 7.207 1.00 0.00 C ATOM 651 C CYS A 48 -0.676 1.260 6.173 1.00 0.00 C ATOM 652 O CYS A 48 -1.453 0.918 5.314 1.00 0.00 O ATOM 653 CB CYS A 48 -0.741 -1.121 6.956 1.00 0.00 C ATOM 654 SG CYS A 48 -0.734 -2.136 8.452 1.00 0.00 S ATOM 0 H CYS A 48 -1.320 0.158 9.001 1.00 0.00 H new ATOM 0 HA CYS A 48 0.936 0.239 7.127 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.763 -1.021 6.590 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.170 -1.622 6.175 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.929 -2.600 8.668 1.00 0.00 H new ATOM 659 N HIS A 49 -0.232 2.482 6.224 1.00 0.00 N ATOM 660 CA HIS A 49 -0.685 3.461 5.202 1.00 0.00 C ATOM 661 C HIS A 49 0.315 3.426 4.057 1.00 0.00 C ATOM 662 O HIS A 49 1.509 3.442 4.275 1.00 0.00 O ATOM 663 CB HIS A 49 -0.677 4.833 5.876 1.00 0.00 C ATOM 664 CG HIS A 49 -1.352 5.824 4.965 1.00 0.00 C ATOM 665 ND1 HIS A 49 -1.482 7.166 5.284 1.00 0.00 N ATOM 666 CD2 HIS A 49 -1.964 5.674 3.745 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.159 7.758 4.278 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.467 6.894 3.317 1.00 0.00 N ATOM 0 H HIS A 49 0.419 2.843 6.922 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.680 3.239 4.816 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.196 4.786 6.834 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.346 5.146 6.083 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -1.130 7.623 6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.042 4.745 3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.419 8.806 4.257 1.00 0.00 H new ATOM 676 N VAL A 50 -0.138 3.361 2.843 1.00 0.00 N ATOM 677 CA VAL A 50 0.824 3.314 1.725 1.00 0.00 C ATOM 678 C VAL A 50 0.276 4.072 0.543 1.00 0.00 C ATOM 679 O VAL A 50 -0.916 4.217 0.367 1.00 0.00 O ATOM 680 CB VAL A 50 0.975 1.844 1.364 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.700 1.113 2.488 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.411 1.244 1.149 1.00 0.00 C ATOM 0 H VAL A 50 -1.123 3.339 2.581 1.00 0.00 H new ATOM 0 HA VAL A 50 1.778 3.764 2.000 1.00 0.00 H new ATOM 0 HB VAL A 50 1.559 1.741 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.807 0.060 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.687 1.554 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.125 1.202 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.315 0.190 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.995 1.341 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.915 1.772 0.340 1.00 0.00 H new ATOM 692 N TYR A 51 1.149 4.535 -0.270 1.00 0.00 N ATOM 693 CA TYR A 51 0.731 5.282 -1.471 1.00 0.00 C ATOM 694 C TYR A 51 1.178 4.507 -2.706 1.00 0.00 C ATOM 695 O TYR A 51 2.351 4.402 -3.008 1.00 0.00 O ATOM 696 CB TYR A 51 1.440 6.626 -1.339 1.00 0.00 C ATOM 697 CG TYR A 51 0.678 7.539 -0.381 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.595 7.171 0.104 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.220 8.789 -0.019 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.304 8.040 0.942 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.495 9.657 0.808 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.764 9.282 1.289 1.00 0.00 C ATOM 703 OH TYR A 51 -1.475 10.140 2.102 1.00 0.00 O ATOM 0 H TYR A 51 2.157 4.429 -0.158 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.346 5.420 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.456 6.474 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.519 7.100 -2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.023 6.218 -0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.196 9.078 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.272 7.750 1.322 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.909 10.618 1.075 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.956 10.959 2.246 1.00 0.00 H new ATOM 713 N VAL A 52 0.237 3.947 -3.407 1.00 0.00 N ATOM 714 CA VAL A 52 0.583 3.143 -4.625 1.00 0.00 C ATOM 715 C VAL A 52 0.691 4.084 -5.847 1.00 0.00 C ATOM 716 O VAL A 52 0.142 5.167 -5.834 1.00 0.00 O ATOM 717 CB VAL A 52 -0.574 2.152 -4.809 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.196 1.120 -5.880 1.00 0.00 C ATOM 719 CG2 VAL A 52 -0.835 1.422 -3.488 1.00 0.00 C ATOM 0 H VAL A 52 -0.759 4.007 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 52 1.536 2.623 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.468 2.694 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.017 0.415 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.000 1.630 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.698 0.581 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.657 0.718 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.062 0.881 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.097 2.147 -2.717 1.00 0.00 H new ATOM 729 N ASN A 53 1.375 3.703 -6.911 1.00 0.00 N ATOM 730 CA ASN A 53 1.460 4.623 -8.087 1.00 0.00 C ATOM 731 C ASN A 53 0.169 4.548 -8.901 1.00 0.00 C ATOM 732 O ASN A 53 -0.329 3.479 -9.196 1.00 0.00 O ATOM 733 CB ASN A 53 2.644 4.135 -8.923 1.00 0.00 C ATOM 734 CG ASN A 53 2.565 2.619 -9.114 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.751 1.953 -8.505 1.00 0.00 O ATOM 736 ND2 ASN A 53 3.380 2.046 -9.950 1.00 0.00 N ATOM 0 H ASN A 53 1.865 2.814 -7.009 1.00 0.00 H new ATOM 0 HA ASN A 53 1.594 5.660 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.643 4.632 -9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.580 4.399 -8.431 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.336 1.037 -10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.063 2.605 -10.461 1.00 0.00 H new ATOM 743 N GLU A 54 -0.384 5.677 -9.253 1.00 0.00 N ATOM 744 CA GLU A 54 -1.657 5.687 -10.037 1.00 0.00 C ATOM 745 C GLU A 54 -1.667 4.566 -11.081 1.00 0.00 C ATOM 746 O GLU A 54 -2.710 4.078 -11.468 1.00 0.00 O ATOM 747 CB GLU A 54 -1.685 7.054 -10.723 1.00 0.00 C ATOM 748 CG GLU A 54 -0.379 7.266 -11.492 1.00 0.00 C ATOM 749 CD GLU A 54 -0.389 8.650 -12.143 1.00 0.00 C ATOM 750 OE1 GLU A 54 -1.168 8.846 -13.060 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.383 9.491 -11.712 1.00 0.00 O ATOM 0 H GLU A 54 -0.008 6.599 -9.031 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.526 5.524 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.534 7.114 -11.404 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.815 7.842 -9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.472 7.176 -10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.264 6.495 -12.254 1.00 0.00 H new ATOM 758 N ALA A 55 -0.520 4.156 -11.545 1.00 0.00 N ATOM 759 CA ALA A 55 -0.476 3.073 -12.568 1.00 0.00 C ATOM 760 C ALA A 55 -1.027 1.763 -11.994 1.00 0.00 C ATOM 761 O ALA A 55 -1.466 0.895 -12.722 1.00 0.00 O ATOM 762 CB ALA A 55 1.005 2.921 -12.921 1.00 0.00 C ATOM 0 H ALA A 55 0.388 4.523 -11.261 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.084 3.312 -13.440 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.122 2.139 -13.672 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.383 3.863 -13.317 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.567 2.652 -12.026 1.00 0.00 H new ATOM 768 N PHE A 56 -1.009 1.606 -10.697 1.00 0.00 N ATOM 769 CA PHE A 56 -1.535 0.345 -10.098 1.00 0.00 C ATOM 770 C PHE A 56 -2.652 0.642 -9.101 1.00 0.00 C ATOM 771 O PHE A 56 -3.392 -0.238 -8.715 1.00 0.00 O ATOM 772 CB PHE A 56 -0.349 -0.287 -9.376 1.00 0.00 C ATOM 773 CG PHE A 56 0.724 -0.636 -10.388 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.439 0.407 -10.979 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.993 -1.973 -10.776 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.408 0.142 -11.950 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.970 -2.226 -11.739 1.00 0.00 C ATOM 778 CZ PHE A 56 2.672 -1.174 -12.330 1.00 0.00 C ATOM 0 H PHE A 56 -0.655 2.292 -10.030 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.954 -0.313 -10.860 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.048 0.403 -8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.668 -1.183 -8.843 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.242 1.427 -10.683 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.445 -2.790 -10.329 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.952 0.956 -12.406 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.185 -3.244 -12.030 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.420 -1.379 -13.082 1.00 0.00 H new ATOM 788 N THR A 57 -2.786 1.869 -8.679 1.00 0.00 N ATOM 789 CA THR A 57 -3.872 2.183 -7.706 1.00 0.00 C ATOM 790 C THR A 57 -5.197 2.287 -8.463 1.00 0.00 C ATOM 791 O THR A 57 -6.261 2.067 -7.919 1.00 0.00 O ATOM 792 CB THR A 57 -3.541 3.541 -7.063 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.208 4.568 -7.781 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.036 3.819 -7.078 1.00 0.00 C ATOM 0 H THR A 57 -2.202 2.657 -8.959 1.00 0.00 H new ATOM 0 HA THR A 57 -3.953 1.409 -6.943 1.00 0.00 H new ATOM 0 HB THR A 57 -3.873 3.516 -6.025 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.094 4.718 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.840 4.787 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.516 3.039 -6.521 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.678 3.830 -8.108 1.00 0.00 H new ATOM 802 N ASP A 58 -5.131 2.627 -9.724 1.00 0.00 N ATOM 803 CA ASP A 58 -6.374 2.749 -10.537 1.00 0.00 C ATOM 804 C ASP A 58 -6.812 1.365 -11.020 1.00 0.00 C ATOM 805 O ASP A 58 -7.977 1.119 -11.268 1.00 0.00 O ATOM 806 CB ASP A 58 -5.983 3.637 -11.722 1.00 0.00 C ATOM 807 CG ASP A 58 -5.134 2.832 -12.709 1.00 0.00 C ATOM 808 OD1 ASP A 58 -4.117 2.304 -12.293 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.516 2.760 -13.866 1.00 0.00 O ATOM 0 H ASP A 58 -4.266 2.826 -10.226 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.206 3.170 -9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.878 4.013 -12.219 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.425 4.505 -11.370 1.00 0.00 H new ATOM 814 N LYS A 59 -5.883 0.459 -11.145 1.00 0.00 N ATOM 815 CA LYS A 59 -6.230 -0.915 -11.603 1.00 0.00 C ATOM 816 C LYS A 59 -6.800 -1.714 -10.432 1.00 0.00 C ATOM 817 O LYS A 59 -7.864 -2.295 -10.516 1.00 0.00 O ATOM 818 CB LYS A 59 -4.905 -1.518 -12.064 1.00 0.00 C ATOM 819 CG LYS A 59 -4.376 -0.733 -13.265 1.00 0.00 C ATOM 820 CD LYS A 59 -5.453 -0.668 -14.348 1.00 0.00 C ATOM 821 CE LYS A 59 -4.795 -0.446 -15.712 1.00 0.00 C ATOM 822 NZ LYS A 59 -5.465 -1.415 -16.624 1.00 0.00 N ATOM 0 H LYS A 59 -4.894 0.612 -10.949 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.978 -0.920 -12.396 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.179 -1.492 -11.251 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.044 -2.565 -12.333 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.093 0.274 -12.958 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.479 -1.211 -13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.030 -1.593 -14.357 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.151 0.141 -14.133 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.933 0.579 -16.055 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.721 -0.625 -15.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.067 -1.323 -17.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.311 -2.383 -16.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.485 -1.216 -16.653 1.00 0.00 H new ATOM 836 N VAL A 60 -6.093 -1.739 -9.338 1.00 0.00 N ATOM 837 CA VAL A 60 -6.568 -2.479 -8.147 1.00 0.00 C ATOM 838 C VAL A 60 -8.072 -2.277 -7.955 1.00 0.00 C ATOM 839 O VAL A 60 -8.653 -1.358 -8.498 1.00 0.00 O ATOM 840 CB VAL A 60 -5.796 -1.847 -6.994 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.332 -2.284 -7.048 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.876 -0.323 -7.103 1.00 0.00 C ATOM 0 H VAL A 60 -5.195 -1.270 -9.221 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.408 -3.554 -8.226 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.233 -2.171 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.786 -1.829 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.273 -3.369 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.892 -1.965 -7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.324 0.130 -6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.442 -0.003 -8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.919 -0.009 -7.057 1.00 0.00 H new ATOM 852 N PRO A 61 -8.649 -3.145 -7.173 1.00 0.00 N ATOM 853 CA PRO A 61 -10.101 -3.072 -6.879 1.00 0.00 C ATOM 854 C PRO A 61 -10.442 -1.834 -6.070 1.00 0.00 C ATOM 855 O PRO A 61 -9.594 -1.163 -5.520 1.00 0.00 O ATOM 856 CB PRO A 61 -10.375 -4.339 -6.079 1.00 0.00 C ATOM 857 CG PRO A 61 -9.052 -4.708 -5.490 1.00 0.00 C ATOM 858 CD PRO A 61 -8.009 -4.273 -6.488 1.00 0.00 C ATOM 0 HA PRO A 61 -10.705 -3.003 -7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.119 -4.164 -5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.761 -5.135 -6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.902 -4.214 -4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.993 -5.781 -5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.083 -3.973 -5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.757 -5.075 -7.182 1.00 0.00 H new ATOM 866 N ALA A 62 -11.697 -1.536 -6.017 1.00 0.00 N ATOM 867 CA ALA A 62 -12.175 -0.350 -5.278 1.00 0.00 C ATOM 868 C ALA A 62 -12.274 -0.651 -3.784 1.00 0.00 C ATOM 869 O ALA A 62 -12.964 -1.558 -3.363 1.00 0.00 O ATOM 870 CB ALA A 62 -13.549 -0.094 -5.882 1.00 0.00 C ATOM 0 H ALA A 62 -12.433 -2.080 -6.467 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.510 0.510 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.001 0.774 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.447 0.094 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.183 -0.966 -5.726 1.00 0.00 H new ATOM 876 N ALA A 63 -11.592 0.110 -2.982 1.00 0.00 N ATOM 877 CA ALA A 63 -11.646 -0.118 -1.508 1.00 0.00 C ATOM 878 C ALA A 63 -13.035 0.254 -0.978 1.00 0.00 C ATOM 879 O ALA A 63 -13.819 0.881 -1.662 1.00 0.00 O ATOM 880 CB ALA A 63 -10.574 0.807 -0.926 1.00 0.00 C ATOM 0 H ALA A 63 -10.997 0.883 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.469 -1.159 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.550 0.699 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.601 0.541 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.807 1.840 -1.182 1.00 0.00 H new ATOM 886 N ASN A 64 -13.355 -0.133 0.229 1.00 0.00 N ATOM 887 CA ASN A 64 -14.709 0.200 0.778 1.00 0.00 C ATOM 888 C ASN A 64 -14.636 1.404 1.720 1.00 0.00 C ATOM 889 O ASN A 64 -13.726 2.206 1.659 1.00 0.00 O ATOM 890 CB ASN A 64 -15.228 -1.035 1.548 1.00 0.00 C ATOM 891 CG ASN A 64 -14.205 -2.195 1.529 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.642 -2.497 0.495 1.00 0.00 O ATOM 893 ND2 ASN A 64 -13.946 -2.875 2.622 1.00 0.00 N ATOM 0 H ASN A 64 -12.746 -0.660 0.855 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.382 0.457 -0.040 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.443 -0.756 2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -16.166 -1.371 1.107 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.279 -3.646 2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.412 -2.632 3.496 1.00 0.00 H new ATOM 900 N GLU A 65 -15.606 1.531 2.586 1.00 0.00 N ATOM 901 CA GLU A 65 -15.633 2.678 3.539 1.00 0.00 C ATOM 902 C GLU A 65 -14.667 2.447 4.707 1.00 0.00 C ATOM 903 O GLU A 65 -14.222 3.385 5.338 1.00 0.00 O ATOM 904 CB GLU A 65 -17.083 2.725 4.030 1.00 0.00 C ATOM 905 CG GLU A 65 -17.295 1.695 5.146 1.00 0.00 C ATOM 906 CD GLU A 65 -17.189 2.387 6.506 1.00 0.00 C ATOM 907 OE1 GLU A 65 -16.925 3.578 6.524 1.00 0.00 O ATOM 908 OE2 GLU A 65 -17.373 1.714 7.507 1.00 0.00 O ATOM 0 H GLU A 65 -16.388 0.882 2.674 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.319 3.612 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.319 3.724 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.762 2.521 3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.273 1.225 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.550 0.903 5.070 1.00 0.00 H new ATOM 915 N ARG A 66 -14.326 1.220 5.004 1.00 0.00 N ATOM 916 CA ARG A 66 -13.375 1.008 6.143 1.00 0.00 C ATOM 917 C ARG A 66 -12.046 1.629 5.759 1.00 0.00 C ATOM 918 O ARG A 66 -11.459 2.381 6.503 1.00 0.00 O ATOM 919 CB ARG A 66 -13.177 -0.508 6.387 1.00 0.00 C ATOM 920 CG ARG A 66 -13.891 -1.379 5.358 1.00 0.00 C ATOM 921 CD ARG A 66 -13.809 -2.846 5.788 1.00 0.00 C ATOM 922 NE ARG A 66 -15.118 -3.435 5.396 1.00 0.00 N ATOM 923 CZ ARG A 66 -15.306 -4.724 5.484 1.00 0.00 C ATOM 924 NH1 ARG A 66 -14.500 -5.544 4.868 1.00 0.00 N ATOM 925 NH2 ARG A 66 -16.302 -5.191 6.188 1.00 0.00 N ATOM 0 H ARG A 66 -14.650 0.379 4.527 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.768 1.463 7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.111 -0.736 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.541 -0.760 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.933 -1.073 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.434 -1.250 4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.982 -3.357 5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.642 -2.934 6.862 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.868 -2.832 5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.723 -5.178 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.647 -6.551 4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.932 -4.549 6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.450 -6.198 6.257 1.00 0.00 H new ATOM 939 N GLU A 67 -11.585 1.322 4.576 1.00 0.00 N ATOM 940 CA GLU A 67 -10.294 1.869 4.087 1.00 0.00 C ATOM 941 C GLU A 67 -10.316 3.397 4.055 1.00 0.00 C ATOM 942 O GLU A 67 -9.324 4.024 3.774 1.00 0.00 O ATOM 943 CB GLU A 67 -10.175 1.318 2.667 1.00 0.00 C ATOM 944 CG GLU A 67 -8.980 1.961 1.973 1.00 0.00 C ATOM 945 CD GLU A 67 -9.467 2.939 0.901 1.00 0.00 C ATOM 946 OE1 GLU A 67 -10.642 2.893 0.575 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.657 3.717 0.425 1.00 0.00 O ATOM 0 H GLU A 67 -12.060 0.704 3.919 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.460 1.589 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.054 0.235 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.088 1.523 2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.363 2.485 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.354 1.192 1.520 1.00 0.00 H new ATOM 954 N ILE A 68 -11.430 4.006 4.316 1.00 0.00 N ATOM 955 CA ILE A 68 -11.481 5.491 4.286 1.00 0.00 C ATOM 956 C ILE A 68 -11.184 6.074 5.682 1.00 0.00 C ATOM 957 O ILE A 68 -10.638 7.152 5.804 1.00 0.00 O ATOM 958 CB ILE A 68 -12.906 5.792 3.813 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.931 5.808 2.281 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.382 7.143 4.342 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.193 4.578 1.743 1.00 0.00 C ATOM 0 H ILE A 68 -12.309 3.543 4.549 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.735 5.941 3.632 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.573 5.019 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.961 5.812 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.461 6.718 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.397 7.334 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.370 7.132 5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.720 7.929 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.211 4.590 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.159 4.594 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.682 3.673 2.104 1.00 0.00 H new ATOM 973 N GLY A 69 -11.534 5.374 6.734 1.00 0.00 N ATOM 974 CA GLY A 69 -11.263 5.903 8.110 1.00 0.00 C ATOM 975 C GLY A 69 -9.884 5.430 8.584 1.00 0.00 C ATOM 976 O GLY A 69 -8.989 6.222 8.802 1.00 0.00 O ATOM 0 H GLY A 69 -11.993 4.464 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.303 6.992 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.033 5.559 8.800 1.00 0.00 H new ATOM 980 N MET A 70 -9.702 4.146 8.730 1.00 0.00 N ATOM 981 CA MET A 70 -8.371 3.624 9.172 1.00 0.00 C ATOM 982 C MET A 70 -7.277 4.274 8.340 1.00 0.00 C ATOM 983 O MET A 70 -6.243 4.675 8.834 1.00 0.00 O ATOM 984 CB MET A 70 -8.390 2.133 8.834 1.00 0.00 C ATOM 985 CG MET A 70 -8.961 1.935 7.431 1.00 0.00 C ATOM 986 SD MET A 70 -9.872 0.381 7.379 1.00 0.00 S ATOM 987 CE MET A 70 -8.650 -0.478 6.383 1.00 0.00 C ATOM 0 H MET A 70 -10.414 3.435 8.564 1.00 0.00 H new ATOM 0 HA MET A 70 -8.190 3.822 10.229 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.381 1.724 8.888 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.993 1.592 9.563 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.618 2.765 7.172 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.156 1.924 6.696 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.155 -1.129 5.670 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.043 0.250 5.844 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.009 -1.077 7.030 1.00 0.00 H new ATOM 997 N LEU A 71 -7.518 4.375 7.071 1.00 0.00 N ATOM 998 CA LEU A 71 -6.535 4.989 6.155 1.00 0.00 C ATOM 999 C LEU A 71 -6.470 6.488 6.455 1.00 0.00 C ATOM 1000 O LEU A 71 -5.486 7.148 6.200 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.147 4.696 4.787 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.177 4.945 3.619 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -6.904 5.745 2.542 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -4.962 5.753 4.052 1.00 0.00 C ATOM 0 H LEU A 71 -8.374 4.050 6.622 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.513 4.618 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.478 3.658 4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.033 5.317 4.653 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.842 3.975 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.228 5.929 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.769 5.181 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.235 6.697 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.303 5.906 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.286 6.720 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.425 5.213 4.832 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.522 7.020 7.022 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.537 8.467 7.370 1.00 0.00 C ATOM 1018 C GLU A 72 -6.997 8.671 8.789 1.00 0.00 C ATOM 1019 O GLU A 72 -6.595 9.758 9.154 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.008 8.886 7.288 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.229 10.159 8.112 1.00 0.00 C ATOM 1022 CD GLU A 72 -10.102 11.136 7.322 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -9.685 11.535 6.246 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -11.171 11.468 7.804 1.00 0.00 O ATOM 0 H GLU A 72 -8.373 6.510 7.259 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.912 9.059 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.289 9.060 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.646 8.085 7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.708 9.912 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.271 10.622 8.349 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.968 7.640 9.596 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.435 7.821 10.975 1.00 0.00 C ATOM 1033 C CYS A 73 -5.108 8.557 10.860 1.00 0.00 C ATOM 1034 O CYS A 73 -4.732 9.348 11.702 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.233 6.407 11.522 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.754 5.847 12.325 1.00 0.00 S ATOM 0 H CYS A 73 -7.285 6.699 9.363 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.092 8.393 11.630 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.965 5.728 10.713 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.408 6.396 12.234 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.583 4.644 12.788 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.424 8.320 9.780 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.137 9.016 9.529 1.00 0.00 C ATOM 1044 C VAL A 74 -3.416 10.310 8.755 1.00 0.00 C ATOM 1045 O VAL A 74 -3.402 10.335 7.543 1.00 0.00 O ATOM 1046 CB VAL A 74 -2.327 8.039 8.677 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -2.198 6.704 9.411 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -3.045 7.822 7.344 1.00 0.00 C ATOM 0 H VAL A 74 -4.706 7.665 9.051 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.606 9.286 10.442 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.333 8.447 8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.620 6.008 8.802 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.691 6.860 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.190 6.291 9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.472 7.126 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.038 7.411 7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.137 8.774 6.821 1.00 0.00 H new ATOM 1058 N THR A 75 -3.696 11.377 9.451 1.00 0.00 N ATOM 1059 CA THR A 75 -4.008 12.675 8.778 1.00 0.00 C ATOM 1060 C THR A 75 -2.972 13.012 7.699 1.00 0.00 C ATOM 1061 O THR A 75 -2.053 13.770 7.925 1.00 0.00 O ATOM 1062 CB THR A 75 -3.921 13.704 9.903 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.283 14.984 9.402 1.00 0.00 O ATOM 1064 CG2 THR A 75 -2.486 13.746 10.439 1.00 0.00 C ATOM 0 H THR A 75 -3.723 11.408 10.470 1.00 0.00 H new ATOM 0 HA THR A 75 -4.977 12.649 8.280 1.00 0.00 H new ATOM 0 HB THR A 75 -4.601 13.427 10.708 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.229 15.645 10.124 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.419 14.479 11.243 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.211 12.763 10.821 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.805 14.026 9.635 1.00 0.00 H new ATOM 1072 N ALA A 76 -3.119 12.467 6.524 1.00 0.00 N ATOM 1073 CA ALA A 76 -2.144 12.771 5.442 1.00 0.00 C ATOM 1074 C ALA A 76 -2.876 13.170 4.161 1.00 0.00 C ATOM 1075 O ALA A 76 -2.500 12.767 3.079 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.365 11.472 5.232 1.00 0.00 C ATOM 0 H ALA A 76 -3.870 11.826 6.267 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.489 13.602 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.623 11.615 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.863 11.195 6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.053 10.678 4.941 1.00 0.00 H new ATOM 1082 N GLU A 77 -3.921 13.949 4.281 1.00 0.00 N ATOM 1083 CA GLU A 77 -4.688 14.374 3.072 1.00 0.00 C ATOM 1084 C GLU A 77 -4.792 13.210 2.092 1.00 0.00 C ATOM 1085 O GLU A 77 -4.330 13.290 0.971 1.00 0.00 O ATOM 1086 CB GLU A 77 -3.910 15.550 2.469 1.00 0.00 C ATOM 1087 CG GLU A 77 -2.491 15.113 2.102 1.00 0.00 C ATOM 1088 CD GLU A 77 -1.826 16.199 1.253 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -1.851 17.345 1.668 1.00 0.00 O ATOM 1090 OE2 GLU A 77 -1.304 15.865 0.202 1.00 0.00 O ATOM 0 H GLU A 77 -4.276 14.310 5.166 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.707 14.675 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.425 15.920 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.872 16.374 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.908 14.936 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.520 14.173 1.552 1.00 0.00 H new ATOM 1097 N LEU A 78 -5.393 12.136 2.535 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.563 10.917 1.688 1.00 0.00 C ATOM 1099 C LEU A 78 -5.424 11.228 0.198 1.00 0.00 C ATOM 1100 O LEU A 78 -6.112 12.074 -0.336 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.978 10.454 1.996 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.970 8.947 2.227 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.548 8.651 3.665 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.368 8.389 1.978 1.00 0.00 C ATOM 0 H LEU A 78 -5.783 12.051 3.474 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.802 10.167 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.358 10.968 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.644 10.704 1.170 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.264 8.478 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.543 7.573 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.549 9.049 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.251 9.119 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.364 7.312 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.074 8.858 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.665 8.598 0.950 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.546 10.541 -0.479 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.378 10.795 -1.936 1.00 0.00 C ATOM 1118 C LYS A 79 -5.494 10.067 -2.684 1.00 0.00 C ATOM 1119 O LYS A 79 -6.209 9.279 -2.099 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.005 10.210 -2.310 1.00 0.00 C ATOM 1121 CG LYS A 79 -1.987 10.453 -1.188 1.00 0.00 C ATOM 1122 CD LYS A 79 -0.846 11.317 -1.709 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.912 12.682 -1.032 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.159 13.598 -1.933 1.00 0.00 N ATOM 0 H LYS A 79 -3.941 9.819 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.429 11.854 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.099 9.140 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.650 10.665 -3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.472 10.944 -0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.599 9.502 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.112 10.840 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.921 11.429 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.944 13.011 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.465 12.651 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.161 14.558 -1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.821 13.264 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.611 13.613 -2.870 1.00 0.00 H new ATOM 1138 N PRO A 80 -5.608 10.335 -3.953 1.00 0.00 N ATOM 1139 CA PRO A 80 -6.652 9.665 -4.763 1.00 0.00 C ATOM 1140 C PRO A 80 -6.354 8.172 -4.846 1.00 0.00 C ATOM 1141 O PRO A 80 -7.235 7.355 -5.035 1.00 0.00 O ATOM 1142 CB PRO A 80 -6.529 10.332 -6.129 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.135 10.864 -6.169 1.00 0.00 C ATOM 1144 CD PRO A 80 -4.796 11.254 -4.756 1.00 0.00 C ATOM 0 HA PRO A 80 -7.656 9.757 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.704 9.619 -6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.261 11.131 -6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.441 10.111 -6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.064 11.722 -6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.732 11.137 -4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.047 12.295 -4.554 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.112 7.817 -4.707 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.731 6.379 -4.778 1.00 0.00 C ATOM 1154 C ASN A 81 -4.353 5.832 -3.393 1.00 0.00 C ATOM 1155 O ASN A 81 -4.148 4.645 -3.231 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.518 6.337 -5.705 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.465 7.342 -5.233 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -2.742 8.199 -4.419 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.254 7.267 -5.715 1.00 0.00 N ATOM 0 H ASN A 81 -4.338 8.462 -4.546 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.557 5.766 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.094 5.333 -5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.822 6.568 -6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.541 7.928 -5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.021 6.547 -6.399 1.00 0.00 H new ATOM 1166 N SER A 82 -4.244 6.670 -2.393 1.00 0.00 N ATOM 1167 CA SER A 82 -3.862 6.150 -1.045 1.00 0.00 C ATOM 1168 C SER A 82 -4.721 4.951 -0.652 1.00 0.00 C ATOM 1169 O SER A 82 -5.811 4.753 -1.151 1.00 0.00 O ATOM 1170 CB SER A 82 -4.130 7.298 -0.078 1.00 0.00 C ATOM 1171 OG SER A 82 -3.380 8.427 -0.485 1.00 0.00 O ATOM 0 H SER A 82 -4.400 7.676 -2.449 1.00 0.00 H new ATOM 0 HA SER A 82 -2.823 5.820 -1.034 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.193 7.538 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.854 7.008 0.936 1.00 0.00 H new ATOM 0 HG SER A 82 -2.801 8.717 0.250 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.228 4.159 0.255 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.989 2.970 0.721 1.00 0.00 C ATOM 1179 C ARG A 83 -4.227 2.292 1.858 1.00 0.00 C ATOM 1180 O ARG A 83 -3.024 2.418 1.975 1.00 0.00 O ATOM 1181 CB ARG A 83 -5.072 2.034 -0.488 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.542 1.750 -0.816 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.822 2.087 -2.282 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.551 0.823 -3.021 1.00 0.00 N ATOM 1185 CZ ARG A 83 -6.928 0.700 -4.263 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -6.776 1.695 -5.094 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.455 -0.419 -4.674 1.00 0.00 N ATOM 0 H ARG A 83 -3.319 4.287 0.699 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.979 3.234 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.578 2.488 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.549 1.101 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.771 0.702 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.189 2.341 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.852 2.415 -2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.180 2.895 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.070 0.053 -2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.362 2.570 -4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.071 1.598 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.572 -1.197 -4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.751 -0.517 -5.645 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.912 1.558 2.682 1.00 0.00 N ATOM 1202 CA LEU A 84 -4.219 0.850 3.796 1.00 0.00 C ATOM 1203 C LEU A 84 -3.439 -0.322 3.203 1.00 0.00 C ATOM 1204 O LEU A 84 -3.926 -1.029 2.343 1.00 0.00 O ATOM 1205 CB LEU A 84 -5.332 0.342 4.712 1.00 0.00 C ATOM 1206 CG LEU A 84 -5.152 0.911 6.118 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -6.061 0.152 7.077 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.705 0.715 6.566 1.00 0.00 C ATOM 0 H LEU A 84 -5.921 1.415 2.636 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.523 1.487 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.304 0.635 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.317 -0.747 4.747 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.400 1.973 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.941 0.550 8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.098 0.267 6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.795 -0.905 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.577 1.121 7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.467 -0.349 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.038 1.233 5.877 1.00 0.00 H new ATOM 1220 N SER A 85 -2.221 -0.513 3.621 1.00 0.00 N ATOM 1221 CA SER A 85 -1.413 -1.611 3.039 1.00 0.00 C ATOM 1222 C SER A 85 -2.219 -2.916 2.942 1.00 0.00 C ATOM 1223 O SER A 85 -1.905 -3.783 2.151 1.00 0.00 O ATOM 1224 CB SER A 85 -0.212 -1.793 3.941 1.00 0.00 C ATOM 1225 OG SER A 85 0.134 -0.543 4.518 1.00 0.00 O ATOM 0 H SER A 85 -1.754 0.042 4.338 1.00 0.00 H new ATOM 0 HA SER A 85 -1.110 -1.360 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.437 -2.518 4.723 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.629 -2.189 3.371 1.00 0.00 H new ATOM 0 HG SER A 85 0.943 -0.646 5.061 1.00 0.00 H new ATOM 1231 N CYS A 86 -3.232 -3.082 3.754 1.00 0.00 N ATOM 1232 CA CYS A 86 -4.012 -4.361 3.707 1.00 0.00 C ATOM 1233 C CYS A 86 -5.364 -4.166 3.014 1.00 0.00 C ATOM 1234 O CYS A 86 -6.376 -4.678 3.443 1.00 0.00 O ATOM 1235 CB CYS A 86 -4.151 -4.800 5.170 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.508 -4.639 5.935 1.00 0.00 S ATOM 0 H CYS A 86 -3.552 -2.398 4.440 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.511 -5.129 3.118 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.881 -4.180 5.691 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.505 -5.829 5.231 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.785 -5.676 5.632 1.00 0.00 H new ATOM 1241 N GLN A 87 -5.367 -3.437 1.928 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.620 -3.192 1.167 1.00 0.00 C ATOM 1243 C GLN A 87 -6.450 -3.605 -0.285 1.00 0.00 C ATOM 1244 O GLN A 87 -7.322 -4.200 -0.886 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.826 -1.682 1.226 1.00 0.00 C ATOM 1246 CG GLN A 87 -6.661 -1.186 2.656 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.040 -1.031 3.264 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -8.348 -0.031 3.872 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.887 -1.997 3.105 1.00 0.00 N ATOM 0 H GLN A 87 -4.537 -2.995 1.533 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.456 -3.756 1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.108 -1.184 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.820 -1.428 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.066 -1.891 3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -6.130 -0.234 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.615 -2.835 2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.827 -1.921 3.494 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.334 -3.278 -0.852 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.104 -3.634 -2.282 1.00 0.00 C ATOM 1260 C ILE A 88 -4.476 -5.016 -2.389 1.00 0.00 C ATOM 1261 O ILE A 88 -3.604 -5.383 -1.626 1.00 0.00 O ATOM 1262 CB ILE A 88 -4.150 -2.594 -2.902 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.828 -1.445 -1.935 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.802 -2.015 -4.156 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -2.980 -0.392 -2.659 1.00 0.00 C ATOM 0 H ILE A 88 -4.569 -2.781 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.057 -3.640 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.214 -3.100 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.750 -0.995 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.291 -1.826 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.137 -1.277 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.990 -2.816 -4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.745 -1.538 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.751 0.424 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.052 -0.847 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.534 -0.004 -3.514 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.905 -5.776 -3.349 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.337 -7.131 -3.544 1.00 0.00 C ATOM 1279 C ILE A 89 -3.518 -7.147 -4.832 1.00 0.00 C ATOM 1280 O ILE A 89 -3.508 -6.191 -5.582 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.547 -8.056 -3.646 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.143 -8.282 -2.252 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.116 -9.394 -4.242 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.027 -8.604 -1.255 1.00 0.00 C ATOM 0 H ILE A 89 -5.633 -5.514 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.674 -7.440 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.299 -7.598 -4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.685 -7.393 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.863 -9.100 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.980 -10.055 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.698 -9.232 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.362 -9.852 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.457 -8.763 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.504 -9.506 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.324 -7.772 -1.215 1.00 0.00 H new ATOM 1296 N MET A 90 -2.822 -8.211 -5.092 1.00 0.00 N ATOM 1297 CA MET A 90 -1.997 -8.263 -6.327 1.00 0.00 C ATOM 1298 C MET A 90 -2.582 -9.250 -7.336 1.00 0.00 C ATOM 1299 O MET A 90 -2.638 -10.440 -7.100 1.00 0.00 O ATOM 1300 CB MET A 90 -0.629 -8.726 -5.846 1.00 0.00 C ATOM 1301 CG MET A 90 0.457 -7.872 -6.497 1.00 0.00 C ATOM 1302 SD MET A 90 0.192 -6.132 -6.074 1.00 0.00 S ATOM 1303 CE MET A 90 0.291 -5.478 -7.757 1.00 0.00 C ATOM 0 H MET A 90 -2.787 -9.046 -4.507 1.00 0.00 H new ATOM 0 HA MET A 90 -1.956 -7.301 -6.838 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.567 -8.646 -4.761 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.480 -9.776 -6.097 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.441 -8.194 -6.156 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.436 -8.001 -7.579 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.135 -4.399 -7.738 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.274 -5.695 -8.174 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.476 -5.945 -8.375 1.00 0.00 H new ATOM 1313 N THR A 91 -3.009 -8.761 -8.467 1.00 0.00 N ATOM 1314 CA THR A 91 -3.578 -9.666 -9.504 1.00 0.00 C ATOM 1315 C THR A 91 -2.498 -10.016 -10.531 1.00 0.00 C ATOM 1316 O THR A 91 -1.434 -9.429 -10.535 1.00 0.00 O ATOM 1317 CB THR A 91 -4.705 -8.863 -10.156 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.446 -7.475 -9.997 1.00 0.00 O ATOM 1319 CG2 THR A 91 -6.035 -9.216 -9.490 1.00 0.00 C ATOM 0 H THR A 91 -2.988 -7.773 -8.718 1.00 0.00 H new ATOM 0 HA THR A 91 -3.942 -10.605 -9.088 1.00 0.00 H new ATOM 0 HB THR A 91 -4.758 -9.104 -11.218 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.295 -6.987 -9.956 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.838 -8.644 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.231 -10.281 -9.612 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.985 -8.975 -8.428 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.807 -10.965 -11.368 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.846 -11.403 -12.410 1.00 0.00 C ATOM 1329 C PRO A 92 -1.732 -10.347 -13.515 1.00 0.00 C ATOM 1330 O PRO A 92 -0.924 -10.463 -14.415 1.00 0.00 O ATOM 1331 CB PRO A 92 -2.464 -12.690 -12.948 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.927 -12.569 -12.659 1.00 0.00 C ATOM 1333 CD PRO A 92 -4.066 -11.716 -11.423 1.00 0.00 C ATOM 0 HA PRO A 92 -0.836 -11.548 -12.027 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.281 -12.799 -14.017 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.037 -13.566 -12.461 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.450 -12.115 -13.501 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.371 -13.552 -12.501 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.926 -11.050 -11.492 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.207 -12.326 -10.531 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.536 -9.320 -13.456 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.472 -8.264 -14.508 1.00 0.00 C ATOM 1343 C GLU A 93 -1.904 -6.961 -13.934 1.00 0.00 C ATOM 1344 O GLU A 93 -1.377 -6.135 -14.654 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.920 -8.064 -14.955 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.762 -7.594 -13.767 1.00 0.00 C ATOM 1347 CD GLU A 93 -6.170 -7.238 -14.249 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.944 -8.151 -14.479 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.448 -6.057 -14.379 1.00 0.00 O ATOM 0 H GLU A 93 -3.233 -9.166 -12.727 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.821 -8.551 -15.334 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.965 -7.330 -15.759 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.321 -8.997 -15.352 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.812 -8.377 -13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.297 -6.727 -13.298 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.012 -6.764 -12.648 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.484 -5.505 -12.041 1.00 0.00 C ATOM 1358 C LEU A 94 -0.092 -5.724 -11.481 1.00 0.00 C ATOM 1359 O LEU A 94 0.173 -5.490 -10.319 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.465 -5.162 -10.930 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.884 -5.087 -11.502 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.760 -4.229 -10.584 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -3.843 -4.465 -12.906 1.00 0.00 C ATOM 0 H LEU A 94 -2.441 -7.417 -11.992 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.399 -4.701 -12.773 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.418 -5.916 -10.144 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.195 -4.209 -10.474 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.302 -6.092 -11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.770 -4.175 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.792 -4.676 -9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.342 -3.225 -10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.854 -4.413 -13.311 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.424 -3.461 -12.847 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.222 -5.080 -13.558 1.00 0.00 H new ATOM 1375 N ASP A 95 0.796 -6.178 -12.301 1.00 0.00 N ATOM 1376 CA ASP A 95 2.179 -6.426 -11.828 1.00 0.00 C ATOM 1377 C ASP A 95 3.113 -5.290 -12.242 1.00 0.00 C ATOM 1378 O ASP A 95 2.944 -4.678 -13.278 1.00 0.00 O ATOM 1379 CB ASP A 95 2.590 -7.739 -12.489 1.00 0.00 C ATOM 1380 CG ASP A 95 2.264 -7.694 -13.983 1.00 0.00 C ATOM 1381 OD1 ASP A 95 1.090 -7.641 -14.312 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.194 -7.714 -14.773 1.00 0.00 O ATOM 0 H ASP A 95 0.627 -6.391 -13.284 1.00 0.00 H new ATOM 0 HA ASP A 95 2.235 -6.480 -10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.657 -7.910 -12.346 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.068 -8.572 -12.019 1.00 0.00 H new ATOM 1387 N GLY A 96 4.086 -4.992 -11.422 1.00 0.00 N ATOM 1388 CA GLY A 96 5.017 -3.875 -11.743 1.00 0.00 C ATOM 1389 C GLY A 96 4.614 -2.680 -10.895 1.00 0.00 C ATOM 1390 O GLY A 96 4.887 -1.542 -11.220 1.00 0.00 O ATOM 0 H GLY A 96 4.275 -5.475 -10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.047 -4.163 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.965 -3.627 -12.803 1.00 0.00 H new ATOM 1394 N ILE A 97 3.927 -2.944 -9.826 1.00 0.00 N ATOM 1395 CA ILE A 97 3.428 -1.854 -8.958 1.00 0.00 C ATOM 1396 C ILE A 97 4.545 -1.020 -8.336 1.00 0.00 C ATOM 1397 O ILE A 97 5.621 -1.499 -8.038 1.00 0.00 O ATOM 1398 CB ILE A 97 2.605 -2.578 -7.880 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.241 -1.903 -7.783 1.00 0.00 C ATOM 1400 CG2 ILE A 97 3.310 -2.510 -6.518 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.648 -2.061 -6.381 1.00 0.00 C ATOM 0 H ILE A 97 3.687 -3.885 -9.513 1.00 0.00 H new ATOM 0 HA ILE A 97 2.845 -1.131 -9.529 1.00 0.00 H new ATOM 0 HB ILE A 97 2.495 -3.627 -8.153 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.338 -0.844 -8.023 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.564 -2.337 -8.519 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.709 -3.029 -5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.288 -2.985 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.434 -1.468 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.324 -1.570 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.530 -3.120 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.316 -1.605 -5.650 1.00 0.00 H new ATOM 1413 N VAL A 98 4.247 0.224 -8.089 1.00 0.00 N ATOM 1414 CA VAL A 98 5.235 1.115 -7.420 1.00 0.00 C ATOM 1415 C VAL A 98 4.545 1.758 -6.224 1.00 0.00 C ATOM 1416 O VAL A 98 3.939 2.806 -6.335 1.00 0.00 O ATOM 1417 CB VAL A 98 5.629 2.174 -8.447 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.856 2.936 -7.942 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.966 1.498 -9.778 1.00 0.00 C ATOM 0 H VAL A 98 3.357 0.664 -8.323 1.00 0.00 H new ATOM 0 HA VAL A 98 6.120 0.582 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 98 4.799 2.866 -8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.140 3.693 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.620 3.418 -6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.683 2.240 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.247 2.255 -10.510 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.796 0.806 -9.635 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.095 0.950 -10.139 1.00 0.00 H new ATOM 1429 N VAL A 99 4.609 1.132 -5.084 1.00 0.00 N ATOM 1430 CA VAL A 99 3.923 1.716 -3.897 1.00 0.00 C ATOM 1431 C VAL A 99 4.931 2.341 -2.956 1.00 0.00 C ATOM 1432 O VAL A 99 6.119 2.104 -3.024 1.00 0.00 O ATOM 1433 CB VAL A 99 3.117 0.577 -3.227 1.00 0.00 C ATOM 1434 CG1 VAL A 99 3.742 -0.751 -3.520 1.00 0.00 C ATOM 1435 CG2 VAL A 99 3.102 0.698 -1.716 1.00 0.00 C ATOM 0 H VAL A 99 5.099 0.253 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 99 3.244 2.518 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 99 2.106 0.655 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 99 3.162 -1.540 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.758 -0.916 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.762 -0.766 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.525 -0.123 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.123 0.657 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.647 1.647 -1.431 1.00 0.00 H new ATOM 1445 N ASP A 100 4.437 3.164 -2.101 1.00 0.00 N ATOM 1446 CA ASP A 100 5.314 3.886 -1.141 1.00 0.00 C ATOM 1447 C ASP A 100 4.611 4.083 0.195 1.00 0.00 C ATOM 1448 O ASP A 100 3.423 3.875 0.331 1.00 0.00 O ATOM 1449 CB ASP A 100 5.571 5.264 -1.770 1.00 0.00 C ATOM 1450 CG ASP A 100 5.715 5.156 -3.292 1.00 0.00 C ATOM 1451 OD1 ASP A 100 4.776 4.705 -3.929 1.00 0.00 O ATOM 1452 OD2 ASP A 100 6.756 5.544 -3.796 1.00 0.00 O ATOM 0 H ASP A 100 3.443 3.379 -2.017 1.00 0.00 H new ATOM 0 HA ASP A 100 6.231 3.325 -0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.750 5.938 -1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.476 5.698 -1.346 1.00 0.00 H new ATOM 1457 N VAL A 101 5.347 4.522 1.168 1.00 0.00 N ATOM 1458 CA VAL A 101 4.741 4.786 2.506 1.00 0.00 C ATOM 1459 C VAL A 101 4.720 6.301 2.743 1.00 0.00 C ATOM 1460 O VAL A 101 5.719 6.969 2.565 1.00 0.00 O ATOM 1461 CB VAL A 101 5.647 4.075 3.514 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.303 4.541 4.929 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.428 2.561 3.412 1.00 0.00 C ATOM 0 H VAL A 101 6.347 4.712 1.100 1.00 0.00 H new ATOM 0 HA VAL A 101 3.716 4.425 2.593 1.00 0.00 H new ATOM 0 HB VAL A 101 6.689 4.312 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.949 4.034 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.453 5.618 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.262 4.304 5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.072 2.051 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.386 2.329 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.670 2.225 2.404 1.00 0.00 H new ATOM 1473 N PRO A 102 3.567 6.800 3.105 1.00 0.00 N ATOM 1474 CA PRO A 102 3.402 8.258 3.330 1.00 0.00 C ATOM 1475 C PRO A 102 4.096 8.748 4.606 1.00 0.00 C ATOM 1476 O PRO A 102 3.594 8.563 5.697 1.00 0.00 O ATOM 1477 CB PRO A 102 1.898 8.436 3.500 1.00 0.00 C ATOM 1478 CG PRO A 102 1.393 7.096 3.931 1.00 0.00 C ATOM 1479 CD PRO A 102 2.323 6.064 3.344 1.00 0.00 C ATOM 0 HA PRO A 102 3.841 8.824 2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.673 9.200 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.431 8.752 2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.373 7.023 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.372 6.938 3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.478 5.231 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.923 5.646 2.420 1.00 0.00 H new