USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=27 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 51 TYR OH : rot 87:sc= -1.24! USER MOD Set 1.2: A 81 ASN : amide:sc= -3.69! C(o=-7.2!,f=-22!) USER MOD Set 1.3: A 82 SER OG : rot -103:sc= -2.25! USER MOD Set 2.1: A 24 MET CE :methyl 137:sc= -7.29! (180deg=-7.04!) USER MOD Set 2.2: A 39 CYS SG : rot -24:sc= -0.0735 USER MOD Set 2.3: A 45 CYS SG : rot -149:sc= -15.3! USER MOD Set 2.4: A 47 THR OG1 : rot 180:sc= 0.0276 USER MOD Set 2.5: A 48 CYS SG : rot 120:sc= 0.163 USER MOD Set 2.6: A 85 SER OG : rot -42:sc= -7.23! USER MOD Set 2.7: A 86 CYS SG : rot 172:sc= -10.8! USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 25 GLN : amide:sc= -24! C(o=-24!,f=-27!) USER MOD Set 4.1: A 1 SER OG : rot -96:sc= -3.06! USER MOD Set 4.2: A 90 MET CE :methyl 149:sc= -11.6! (180deg=-12.7!) USER MOD Single : A 1 SER N :NH3+ -114:sc= -0.327! (180deg=-1.88!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -96:sc= -3.41! USER MOD Single : A 7 SER OG : rot -41:sc= -6.88! USER MOD Single : A 8 HIS : no HD1:sc= -4.55! C(o=-4.6!,f=-5.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 160:sc= -2.01! USER MOD Single : A 30 ASN : amide:sc= -7.54! C(o=-7.5!,f=-9.3!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.97 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -54:sc= 0.569 USER MOD Single : A 49 HIS : no HE2:sc= -23.6! C(o=-24!,f=-26!) USER MOD Single : A 53 ASN : amide:sc= -17.2! C(o=-17!,f=-18!) USER MOD Single : A 57 THR OG1 : rot 110:sc= -0.818 USER MOD Single : A 59 LYS NZ :NH3+ -132:sc= 0.0241 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -5.29! C(o=-5.3!,f=-20!) USER MOD Single : A 70 MET CE :methyl 169:sc= -17.6! (180deg=-19.1!) 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 87 GLN : amide:sc= -15.2! C(o=-15!,f=-19!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.98! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.112 -10.613 -9.345 1.00 0.00 N ATOM 2 CA SER A 1 3.510 -9.359 -10.047 1.00 0.00 C ATOM 3 C SER A 1 4.793 -8.794 -9.445 1.00 0.00 C ATOM 4 O SER A 1 5.212 -9.174 -8.370 1.00 0.00 O ATOM 5 CB SER A 1 2.366 -8.373 -9.799 1.00 0.00 C ATOM 6 OG SER A 1 2.908 -7.117 -9.411 1.00 0.00 O ATOM 0 H1 SER A 1 3.185 -11.416 -10.001 1.00 0.00 H new ATOM 0 H2 SER A 1 3.742 -10.771 -8.533 1.00 0.00 H new ATOM 0 H3 SER A 1 2.131 -10.527 -9.011 1.00 0.00 H new ATOM 0 HA SER A 1 3.689 -9.538 -11.107 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.765 -8.260 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.704 -8.753 -9.021 1.00 0.00 H new ATOM 0 HG SER A 1 2.910 -7.050 -8.433 1.00 0.00 H new ATOM 14 N LYS A 2 5.387 -7.850 -10.113 1.00 0.00 N ATOM 15 CA LYS A 2 6.607 -7.211 -9.564 1.00 0.00 C ATOM 16 C LYS A 2 6.160 -6.093 -8.626 1.00 0.00 C ATOM 17 O LYS A 2 5.565 -5.124 -9.053 1.00 0.00 O ATOM 18 CB LYS A 2 7.340 -6.636 -10.774 1.00 0.00 C ATOM 19 CG LYS A 2 8.836 -6.539 -10.470 1.00 0.00 C ATOM 20 CD LYS A 2 9.534 -5.758 -11.585 1.00 0.00 C ATOM 21 CE LYS A 2 10.539 -6.668 -12.296 1.00 0.00 C ATOM 22 NZ LYS A 2 11.234 -5.784 -13.271 1.00 0.00 N ATOM 0 H LYS A 2 5.079 -7.493 -11.018 1.00 0.00 H new ATOM 0 HA LYS A 2 7.249 -7.896 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.176 -7.270 -11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.943 -5.650 -11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.992 -6.043 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.266 -7.537 -10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.798 -5.385 -12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.045 -4.889 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.243 -7.107 -11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.037 -7.494 -12.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.940 -6.336 -13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.540 -5.386 -13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.709 -5.011 -12.762 1.00 0.00 H new ATOM 36 N VAL A 3 6.406 -6.219 -7.357 1.00 0.00 N ATOM 37 CA VAL A 3 5.947 -5.158 -6.426 1.00 0.00 C ATOM 38 C VAL A 3 7.133 -4.364 -5.892 1.00 0.00 C ATOM 39 O VAL A 3 8.153 -4.907 -5.527 1.00 0.00 O ATOM 40 CB VAL A 3 5.226 -5.905 -5.303 1.00 0.00 C ATOM 41 CG1 VAL A 3 5.177 -5.037 -4.044 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.799 -6.217 -5.750 1.00 0.00 C ATOM 0 H VAL A 3 6.899 -7.001 -6.927 1.00 0.00 H new ATOM 0 HA VAL A 3 5.293 -4.434 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 3 5.762 -6.828 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.662 -5.577 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.192 -4.802 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.642 -4.112 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.277 -6.750 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.275 -5.287 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.826 -6.837 -6.646 1.00 0.00 H new ATOM 52 N VAL A 4 6.987 -3.076 -5.839 1.00 0.00 N ATOM 53 CA VAL A 4 8.081 -2.216 -5.317 1.00 0.00 C ATOM 54 C VAL A 4 7.498 -1.253 -4.298 1.00 0.00 C ATOM 55 O VAL A 4 6.543 -0.551 -4.551 1.00 0.00 O ATOM 56 CB VAL A 4 8.659 -1.499 -6.533 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.214 -0.127 -6.136 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.785 -2.345 -7.132 1.00 0.00 C ATOM 0 H VAL A 4 6.150 -2.575 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 4 8.868 -2.774 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 4 7.865 -1.358 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.622 0.369 -7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.414 0.481 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.002 -0.254 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.200 -1.835 -8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.568 -2.488 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.390 -3.315 -7.435 1.00 0.00 H new ATOM 68 N TYR A 5 8.057 -1.260 -3.140 1.00 0.00 N ATOM 69 CA TYR A 5 7.552 -0.407 -2.042 1.00 0.00 C ATOM 70 C TYR A 5 8.448 0.789 -1.794 1.00 0.00 C ATOM 71 O TYR A 5 9.653 0.679 -1.808 1.00 0.00 O ATOM 72 CB TYR A 5 7.637 -1.339 -0.857 1.00 0.00 C ATOM 73 CG TYR A 5 6.599 -2.395 -0.993 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.247 -2.049 -0.995 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.984 -3.730 -1.127 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.276 -3.043 -1.126 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.027 -4.703 -1.255 1.00 0.00 C ATOM 78 CZ TYR A 5 4.666 -4.378 -1.256 1.00 0.00 C ATOM 79 OH TYR A 5 3.716 -5.371 -1.385 1.00 0.00 O ATOM 0 H TYR A 5 8.864 -1.834 -2.896 1.00 0.00 H new ATOM 0 HA TYR A 5 6.561 -0.002 -2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.628 -1.790 -0.804 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.490 -0.784 0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.953 -1.015 -0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.031 -3.995 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.228 -2.781 -1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.328 -5.735 -1.357 1.00 0.00 H new ATOM 0 HH TYR A 5 3.540 -5.771 -0.508 1.00 0.00 H new ATOM 89 N VAL A 6 7.873 1.925 -1.531 1.00 0.00 N ATOM 90 CA VAL A 6 8.733 3.115 -1.233 1.00 0.00 C ATOM 91 C VAL A 6 8.410 3.673 0.147 1.00 0.00 C ATOM 92 O VAL A 6 7.326 3.497 0.665 1.00 0.00 O ATOM 93 CB VAL A 6 8.445 4.167 -2.302 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.571 5.207 -2.303 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.374 3.499 -3.665 1.00 0.00 C ATOM 0 H VAL A 6 6.866 2.087 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 6 9.786 2.833 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 6 7.494 4.655 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.370 5.960 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.625 5.685 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.520 4.716 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.168 4.250 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.325 3.012 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.578 2.755 -3.664 1.00 0.00 H new ATOM 105 N SER A 7 9.334 4.376 0.729 1.00 0.00 N ATOM 106 CA SER A 7 9.081 4.981 2.053 1.00 0.00 C ATOM 107 C SER A 7 9.141 6.498 1.903 1.00 0.00 C ATOM 108 O SER A 7 9.962 7.026 1.181 1.00 0.00 O ATOM 109 CB SER A 7 10.199 4.473 2.961 1.00 0.00 C ATOM 110 OG SER A 7 11.454 4.862 2.429 1.00 0.00 O ATOM 0 H SER A 7 10.259 4.557 0.339 1.00 0.00 H new ATOM 0 HA SER A 7 8.107 4.720 2.466 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.077 4.877 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.149 3.387 3.045 1.00 0.00 H new ATOM 0 HG SER A 7 11.443 4.756 1.455 1.00 0.00 H new ATOM 116 N HIS A 8 8.279 7.205 2.565 1.00 0.00 N ATOM 117 CA HIS A 8 8.293 8.687 2.445 1.00 0.00 C ATOM 118 C HIS A 8 9.727 9.206 2.616 1.00 0.00 C ATOM 119 O HIS A 8 10.057 10.296 2.192 1.00 0.00 O ATOM 120 CB HIS A 8 7.371 9.192 3.555 1.00 0.00 C ATOM 121 CG HIS A 8 7.622 8.426 4.814 1.00 0.00 C ATOM 122 ND1 HIS A 8 6.619 7.715 5.422 1.00 0.00 N ATOM 123 CD2 HIS A 8 8.741 8.249 5.590 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.134 7.137 6.523 1.00 0.00 C ATOM 125 NE2 HIS A 8 8.429 7.432 6.673 1.00 0.00 N ATOM 0 H HIS A 8 7.564 6.824 3.185 1.00 0.00 H new ATOM 0 HA HIS A 8 7.951 9.035 1.470 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.542 10.255 3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.330 9.081 3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.712 8.677 5.391 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.571 6.513 7.201 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.053 7.125 7.419 1.00 0.00 H new ATOM 133 N ASP A 9 10.585 8.425 3.226 1.00 0.00 N ATOM 134 CA ASP A 9 11.998 8.865 3.413 1.00 0.00 C ATOM 135 C ASP A 9 12.858 8.428 2.218 1.00 0.00 C ATOM 136 O ASP A 9 14.024 8.758 2.130 1.00 0.00 O ATOM 137 CB ASP A 9 12.464 8.171 4.693 1.00 0.00 C ATOM 138 CG ASP A 9 12.678 6.681 4.418 1.00 0.00 C ATOM 139 OD1 ASP A 9 13.578 6.364 3.657 1.00 0.00 O ATOM 140 OD2 ASP A 9 11.939 5.885 4.972 1.00 0.00 O ATOM 0 H ASP A 9 10.366 7.502 3.602 1.00 0.00 H new ATOM 0 HA ASP A 9 12.085 9.949 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.390 8.623 5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.723 8.303 5.481 1.00 0.00 H new ATOM 145 N GLY A 10 12.290 7.702 1.292 1.00 0.00 N ATOM 146 CA GLY A 10 13.077 7.263 0.099 1.00 0.00 C ATOM 147 C GLY A 10 13.327 5.750 0.135 1.00 0.00 C ATOM 148 O GLY A 10 13.335 5.096 -0.889 1.00 0.00 O ATOM 0 H GLY A 10 11.318 7.394 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.540 7.525 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.029 7.793 0.072 1.00 0.00 H new ATOM 152 N THR A 11 13.536 5.182 1.293 1.00 0.00 N ATOM 153 CA THR A 11 13.784 3.720 1.364 1.00 0.00 C ATOM 154 C THR A 11 12.713 2.987 0.561 1.00 0.00 C ATOM 155 O THR A 11 11.534 3.260 0.663 1.00 0.00 O ATOM 156 CB THR A 11 13.735 3.374 2.863 1.00 0.00 C ATOM 157 OG1 THR A 11 15.010 2.899 3.271 1.00 0.00 O ATOM 158 CG2 THR A 11 12.680 2.299 3.160 1.00 0.00 C ATOM 0 H THR A 11 13.545 5.669 2.189 1.00 0.00 H new ATOM 0 HA THR A 11 14.742 3.422 0.938 1.00 0.00 H new ATOM 0 HB THR A 11 13.465 4.276 3.412 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.987 2.678 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.674 2.080 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.697 2.661 2.858 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.919 1.392 2.605 1.00 0.00 H new ATOM 166 N ARG A 12 13.135 2.078 -0.250 1.00 0.00 N ATOM 167 CA ARG A 12 12.171 1.319 -1.103 1.00 0.00 C ATOM 168 C ARG A 12 12.401 -0.200 -1.007 1.00 0.00 C ATOM 169 O ARG A 12 13.503 -0.657 -0.780 1.00 0.00 O ATOM 170 CB ARG A 12 12.472 1.795 -2.522 1.00 0.00 C ATOM 171 CG ARG A 12 11.362 2.730 -2.999 1.00 0.00 C ATOM 172 CD ARG A 12 11.765 3.356 -4.336 1.00 0.00 C ATOM 173 NE ARG A 12 12.085 4.775 -4.016 1.00 0.00 N ATOM 174 CZ ARG A 12 11.801 5.717 -4.873 1.00 0.00 C ATOM 175 NH1 ARG A 12 10.640 5.729 -5.471 1.00 0.00 N ATOM 176 NH2 ARG A 12 12.678 6.647 -5.134 1.00 0.00 N ATOM 0 H ARG A 12 14.114 1.817 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 12 11.140 1.493 -0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.431 2.312 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.553 0.940 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.429 2.178 -3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.185 3.510 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.626 2.845 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.956 3.288 -5.063 1.00 0.00 H new ATOM 0 HE ARG A 12 12.526 5.010 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.954 5.002 -5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.419 6.466 -6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.585 6.638 -4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.456 7.384 -5.804 1.00 0.00 H new ATOM 190 N ARG A 13 11.371 -0.984 -1.228 1.00 0.00 N ATOM 191 CA ARG A 13 11.533 -2.474 -1.205 1.00 0.00 C ATOM 192 C ARG A 13 10.889 -3.066 -2.465 1.00 0.00 C ATOM 193 O ARG A 13 10.113 -2.420 -3.131 1.00 0.00 O ATOM 194 CB ARG A 13 10.829 -3.042 0.053 1.00 0.00 C ATOM 195 CG ARG A 13 9.969 -2.008 0.792 1.00 0.00 C ATOM 196 CD ARG A 13 10.573 -1.726 2.169 1.00 0.00 C ATOM 197 NE ARG A 13 9.419 -1.758 3.110 1.00 0.00 N ATOM 198 CZ ARG A 13 8.716 -0.677 3.317 1.00 0.00 C ATOM 199 NH1 ARG A 13 8.380 0.085 2.312 1.00 0.00 N ATOM 200 NH2 ARG A 13 8.350 -0.360 4.528 1.00 0.00 N ATOM 0 H ARG A 13 10.425 -0.656 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 13 12.591 -2.734 -1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.200 -3.883 -0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.583 -3.431 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.913 -1.086 0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.950 -2.379 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.319 -2.475 2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.073 -0.757 2.190 1.00 0.00 H new ATOM 0 HE ARG A 13 9.178 -2.624 3.593 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.666 -0.164 1.365 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.831 0.929 2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.613 -0.956 5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.801 0.484 4.690 1.00 0.00 H new ATOM 214 N GLU A 14 11.201 -4.286 -2.799 1.00 0.00 N ATOM 215 CA GLU A 14 10.590 -4.906 -4.014 1.00 0.00 C ATOM 216 C GLU A 14 10.034 -6.288 -3.660 1.00 0.00 C ATOM 217 O GLU A 14 10.755 -7.151 -3.201 1.00 0.00 O ATOM 218 CB GLU A 14 11.737 -5.029 -5.018 1.00 0.00 C ATOM 219 CG GLU A 14 12.398 -3.662 -5.207 1.00 0.00 C ATOM 220 CD GLU A 14 13.266 -3.684 -6.467 1.00 0.00 C ATOM 221 OE1 GLU A 14 12.978 -4.478 -7.348 1.00 0.00 O ATOM 222 OE2 GLU A 14 14.206 -2.908 -6.529 1.00 0.00 O ATOM 0 H GLU A 14 11.851 -4.882 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 14 9.765 -4.317 -4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.470 -5.753 -4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.361 -5.398 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.637 -2.887 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.007 -3.418 -4.337 1.00 0.00 H new ATOM 229 N LEU A 15 8.760 -6.508 -3.846 1.00 0.00 N ATOM 230 CA LEU A 15 8.193 -7.837 -3.491 1.00 0.00 C ATOM 231 C LEU A 15 7.798 -8.641 -4.725 1.00 0.00 C ATOM 232 O LEU A 15 7.293 -8.114 -5.698 1.00 0.00 O ATOM 233 CB LEU A 15 6.926 -7.543 -2.678 1.00 0.00 C ATOM 234 CG LEU A 15 7.235 -7.556 -1.183 1.00 0.00 C ATOM 235 CD1 LEU A 15 5.943 -7.532 -0.367 1.00 0.00 C ATOM 236 CD2 LEU A 15 7.963 -8.808 -0.815 1.00 0.00 C ATOM 0 H LEU A 15 8.096 -5.833 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 15 8.933 -8.423 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.521 -6.572 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.161 -8.286 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 15 7.841 -6.676 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.184 -7.542 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.380 -6.629 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.342 -8.408 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.177 -8.804 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.346 -9.673 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.898 -8.862 -1.372 1.00 0.00 H new ATOM 248 N ASP A 16 7.960 -9.929 -4.651 1.00 0.00 N ATOM 249 CA ASP A 16 7.530 -10.807 -5.767 1.00 0.00 C ATOM 250 C ASP A 16 6.180 -11.383 -5.352 1.00 0.00 C ATOM 251 O ASP A 16 6.103 -12.368 -4.645 1.00 0.00 O ATOM 252 CB ASP A 16 8.594 -11.902 -5.866 1.00 0.00 C ATOM 253 CG ASP A 16 9.610 -11.531 -6.948 1.00 0.00 C ATOM 254 OD1 ASP A 16 9.627 -10.377 -7.346 1.00 0.00 O ATOM 255 OD2 ASP A 16 10.353 -12.406 -7.360 1.00 0.00 O ATOM 0 H ASP A 16 8.376 -10.415 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 16 7.430 -10.304 -6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.097 -12.023 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.126 -12.858 -6.104 1.00 0.00 H new ATOM 260 N VAL A 17 5.117 -10.733 -5.725 1.00 0.00 N ATOM 261 CA VAL A 17 3.774 -11.196 -5.284 1.00 0.00 C ATOM 262 C VAL A 17 3.071 -12.019 -6.359 1.00 0.00 C ATOM 263 O VAL A 17 3.517 -12.115 -7.485 1.00 0.00 O ATOM 264 CB VAL A 17 3.009 -9.903 -5.014 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.567 -10.231 -4.643 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.672 -9.152 -3.856 1.00 0.00 C ATOM 0 H VAL A 17 5.119 -9.902 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 17 3.836 -11.849 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 17 3.022 -9.281 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.022 -9.307 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.093 -10.768 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.554 -10.853 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.127 -8.228 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.658 -9.776 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.703 -8.916 -4.118 1.00 0.00 H new ATOM 276 N ALA A 18 1.971 -12.625 -6.001 1.00 0.00 N ATOM 277 CA ALA A 18 1.222 -13.464 -6.983 1.00 0.00 C ATOM 278 C ALA A 18 -0.196 -12.919 -7.188 1.00 0.00 C ATOM 279 O ALA A 18 -0.447 -11.739 -7.049 1.00 0.00 O ATOM 280 CB ALA A 18 1.170 -14.853 -6.347 1.00 0.00 C ATOM 0 H ALA A 18 1.558 -12.576 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 18 1.699 -13.473 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.634 -15.535 -7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.184 -15.220 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.655 -14.795 -5.388 1.00 0.00 H new ATOM 286 N ASP A 19 -1.124 -13.778 -7.524 1.00 0.00 N ATOM 287 CA ASP A 19 -2.524 -13.328 -7.743 1.00 0.00 C ATOM 288 C ASP A 19 -3.385 -13.705 -6.530 1.00 0.00 C ATOM 289 O ASP A 19 -3.500 -14.860 -6.170 1.00 0.00 O ATOM 290 CB ASP A 19 -2.962 -14.060 -9.029 1.00 0.00 C ATOM 291 CG ASP A 19 -4.219 -14.910 -8.789 1.00 0.00 C ATOM 292 OD1 ASP A 19 -4.073 -16.033 -8.337 1.00 0.00 O ATOM 293 OD2 ASP A 19 -5.301 -14.420 -9.064 1.00 0.00 O ATOM 0 H ASP A 19 -0.967 -14.777 -7.656 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.626 -12.248 -7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.158 -13.331 -9.815 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.151 -14.698 -9.381 1.00 0.00 H new ATOM 298 N GLY A 20 -3.984 -12.737 -5.902 1.00 0.00 N ATOM 299 CA GLY A 20 -4.835 -13.026 -4.711 1.00 0.00 C ATOM 300 C GLY A 20 -4.148 -12.495 -3.450 1.00 0.00 C ATOM 301 O GLY A 20 -4.606 -12.709 -2.345 1.00 0.00 O ATOM 0 H GLY A 20 -3.923 -11.752 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.813 -12.560 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.002 -14.099 -4.622 1.00 0.00 H new ATOM 305 N VAL A 21 -3.054 -11.803 -3.608 1.00 0.00 N ATOM 306 CA VAL A 21 -2.334 -11.252 -2.425 1.00 0.00 C ATOM 307 C VAL A 21 -2.472 -9.726 -2.393 1.00 0.00 C ATOM 308 O VAL A 21 -2.985 -9.108 -3.297 1.00 0.00 O ATOM 309 CB VAL A 21 -0.862 -11.668 -2.635 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.087 -10.587 -2.158 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.565 -12.962 -1.874 1.00 0.00 C ATOM 0 H VAL A 21 -2.625 -11.594 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.730 -11.623 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.712 -11.823 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.116 -10.909 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.097 -9.669 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.074 -10.404 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.476 -13.245 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.744 -12.807 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.216 -13.757 -2.239 1.00 0.00 H new ATOM 321 N SER A 22 -1.985 -9.142 -1.350 1.00 0.00 N ATOM 322 CA SER A 22 -2.014 -7.655 -1.189 1.00 0.00 C ATOM 323 C SER A 22 -0.575 -7.133 -1.059 1.00 0.00 C ATOM 324 O SER A 22 0.371 -7.892 -1.125 1.00 0.00 O ATOM 325 CB SER A 22 -2.782 -7.405 0.112 1.00 0.00 C ATOM 326 OG SER A 22 -3.174 -8.649 0.680 1.00 0.00 O ATOM 0 H SER A 22 -1.552 -9.639 -0.572 1.00 0.00 H new ATOM 0 HA SER A 22 -2.480 -7.152 -2.036 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.158 -6.853 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.660 -6.790 -0.085 1.00 0.00 H new ATOM 0 HG SER A 22 -3.664 -8.488 1.513 1.00 0.00 H new ATOM 332 N LEU A 23 -0.390 -5.852 -0.854 1.00 0.00 N ATOM 333 CA LEU A 23 1.004 -5.334 -0.700 1.00 0.00 C ATOM 334 C LEU A 23 1.507 -5.652 0.705 1.00 0.00 C ATOM 335 O LEU A 23 2.677 -5.524 0.999 1.00 0.00 O ATOM 336 CB LEU A 23 0.935 -3.804 -0.886 1.00 0.00 C ATOM 337 CG LEU A 23 1.066 -3.401 -2.370 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.875 -4.606 -3.296 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.009 -2.344 -2.696 1.00 0.00 C ATOM 0 H LEU A 23 -1.130 -5.153 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 23 1.678 -5.789 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.010 -3.432 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.730 -3.331 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 23 2.068 -3.004 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.974 -4.287 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.632 -5.359 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.116 -5.031 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.095 -2.054 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.984 -2.754 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.162 -1.469 -2.064 1.00 0.00 H new ATOM 351 N MET A 24 0.621 -6.039 1.579 1.00 0.00 N ATOM 352 CA MET A 24 1.035 -6.334 2.977 1.00 0.00 C ATOM 353 C MET A 24 1.432 -7.784 3.181 1.00 0.00 C ATOM 354 O MET A 24 2.587 -8.095 3.346 1.00 0.00 O ATOM 355 CB MET A 24 -0.182 -6.029 3.830 1.00 0.00 C ATOM 356 CG MET A 24 0.144 -6.385 5.277 1.00 0.00 C ATOM 357 SD MET A 24 -1.116 -7.501 5.926 1.00 0.00 S ATOM 358 CE MET A 24 -0.834 -7.116 7.668 1.00 0.00 C ATOM 0 H MET A 24 -0.373 -6.164 1.385 1.00 0.00 H new ATOM 0 HA MET A 24 1.911 -5.739 3.237 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.447 -4.975 3.749 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.042 -6.602 3.483 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.125 -6.856 5.334 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.189 -5.480 5.883 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.792 -7.009 8.177 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.265 -7.922 8.131 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.274 -6.184 7.749 1.00 0.00 H new ATOM 368 N GLN A 25 0.473 -8.659 3.203 1.00 0.00 N ATOM 369 CA GLN A 25 0.755 -10.098 3.460 1.00 0.00 C ATOM 370 C GLN A 25 2.092 -10.545 2.808 1.00 0.00 C ATOM 371 O GLN A 25 2.720 -11.470 3.278 1.00 0.00 O ATOM 372 CB GLN A 25 -0.482 -10.814 2.858 1.00 0.00 C ATOM 373 CG GLN A 25 -0.084 -11.758 1.733 1.00 0.00 C ATOM 374 CD GLN A 25 0.552 -10.928 0.638 1.00 0.00 C ATOM 375 OE1 GLN A 25 1.364 -11.422 -0.116 1.00 0.00 O ATOM 376 NE2 GLN A 25 0.239 -9.649 0.532 1.00 0.00 N ATOM 0 H GLN A 25 -0.511 -8.437 3.052 1.00 0.00 H new ATOM 0 HA GLN A 25 0.891 -10.332 4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.997 -11.373 3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.186 -10.072 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.615 -12.512 2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.957 -12.289 1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.444 -9.237 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.680 -9.074 -0.185 1.00 0.00 H new ATOM 385 N ALA A 26 2.555 -9.886 1.769 1.00 0.00 N ATOM 386 CA ALA A 26 3.862 -10.286 1.174 1.00 0.00 C ATOM 387 C ALA A 26 4.915 -9.447 1.888 1.00 0.00 C ATOM 388 O ALA A 26 5.916 -9.939 2.371 1.00 0.00 O ATOM 389 CB ALA A 26 3.797 -9.940 -0.327 1.00 0.00 C ATOM 0 H ALA A 26 2.088 -9.100 1.316 1.00 0.00 H new ATOM 0 HA ALA A 26 4.094 -11.346 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.737 -10.217 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.978 -10.489 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.631 -8.869 -0.447 1.00 0.00 H new ATOM 395 N ALA A 27 4.639 -8.174 2.005 1.00 0.00 N ATOM 396 CA ALA A 27 5.548 -7.256 2.741 1.00 0.00 C ATOM 397 C ALA A 27 5.607 -7.744 4.189 1.00 0.00 C ATOM 398 O ALA A 27 6.651 -8.035 4.738 1.00 0.00 O ATOM 399 CB ALA A 27 4.838 -5.902 2.660 1.00 0.00 C ATOM 0 H ALA A 27 3.809 -7.729 1.614 1.00 0.00 H new ATOM 0 HA ALA A 27 6.564 -7.205 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.432 -5.148 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.719 -5.616 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.857 -5.977 3.130 1.00 0.00 H new ATOM 405 N VAL A 28 4.449 -7.871 4.773 1.00 0.00 N ATOM 406 CA VAL A 28 4.309 -8.384 6.165 1.00 0.00 C ATOM 407 C VAL A 28 5.351 -9.481 6.418 1.00 0.00 C ATOM 408 O VAL A 28 6.201 -9.360 7.279 1.00 0.00 O ATOM 409 CB VAL A 28 2.861 -8.922 6.153 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.793 -10.415 6.508 1.00 0.00 C ATOM 411 CG2 VAL A 28 1.994 -8.155 7.136 1.00 0.00 C ATOM 0 H VAL A 28 3.563 -7.632 4.327 1.00 0.00 H new ATOM 0 HA VAL A 28 4.476 -7.652 6.956 1.00 0.00 H new ATOM 0 HB VAL A 28 2.491 -8.786 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.755 -10.747 6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.372 -10.988 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.203 -10.571 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.979 -8.550 7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.401 -8.263 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.979 -7.100 6.862 1.00 0.00 H new ATOM 421 N SER A 29 5.299 -10.537 5.659 1.00 0.00 N ATOM 422 CA SER A 29 6.287 -11.637 5.830 1.00 0.00 C ATOM 423 C SER A 29 7.669 -11.123 5.479 1.00 0.00 C ATOM 424 O SER A 29 8.647 -11.387 6.151 1.00 0.00 O ATOM 425 CB SER A 29 5.896 -12.686 4.810 1.00 0.00 C ATOM 426 OG SER A 29 4.736 -12.262 4.106 1.00 0.00 O ATOM 0 H SER A 29 4.610 -10.687 4.922 1.00 0.00 H new ATOM 0 HA SER A 29 6.297 -12.022 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.716 -12.852 4.112 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.704 -13.637 5.307 1.00 0.00 H new ATOM 0 HG SER A 29 4.668 -12.754 3.261 1.00 0.00 H new ATOM 432 N ASN A 30 7.739 -10.372 4.423 1.00 0.00 N ATOM 433 CA ASN A 30 9.030 -9.796 3.984 1.00 0.00 C ATOM 434 C ASN A 30 9.557 -8.830 5.045 1.00 0.00 C ATOM 435 O ASN A 30 10.635 -8.284 4.925 1.00 0.00 O ATOM 436 CB ASN A 30 8.670 -9.065 2.695 1.00 0.00 C ATOM 437 CG ASN A 30 8.891 -10.008 1.517 1.00 0.00 C ATOM 438 OD1 ASN A 30 9.912 -9.954 0.860 1.00 0.00 O ATOM 439 ND2 ASN A 30 7.966 -10.880 1.221 1.00 0.00 N ATOM 0 H ASN A 30 6.941 -10.129 3.836 1.00 0.00 H new ATOM 0 HA ASN A 30 9.814 -10.538 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.631 -8.736 2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.284 -8.172 2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.099 -11.518 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.110 -10.923 1.774 1.00 0.00 H new ATOM 446 N GLY A 31 8.799 -8.618 6.087 1.00 0.00 N ATOM 447 CA GLY A 31 9.255 -7.686 7.161 1.00 0.00 C ATOM 448 C GLY A 31 8.845 -6.259 6.810 1.00 0.00 C ATOM 449 O GLY A 31 8.760 -5.403 7.669 1.00 0.00 O ATOM 0 H GLY A 31 7.887 -9.048 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.819 -7.976 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.337 -7.747 7.273 1.00 0.00 H new ATOM 453 N ILE A 32 8.580 -5.997 5.559 1.00 0.00 N ATOM 454 CA ILE A 32 8.159 -4.627 5.158 1.00 0.00 C ATOM 455 C ILE A 32 7.169 -4.083 6.185 1.00 0.00 C ATOM 456 O ILE A 32 7.199 -2.919 6.533 1.00 0.00 O ATOM 457 CB ILE A 32 7.498 -4.817 3.792 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.574 -5.059 2.732 1.00 0.00 C ATOM 459 CG2 ILE A 32 6.693 -3.571 3.409 1.00 0.00 C ATOM 460 CD1 ILE A 32 7.929 -5.027 1.346 1.00 0.00 C ATOM 0 H ILE A 32 8.637 -6.674 4.798 1.00 0.00 H new ATOM 0 HA ILE A 32 8.983 -3.916 5.107 1.00 0.00 H new ATOM 0 HB ILE A 32 6.827 -5.674 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.350 -4.297 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.057 -6.022 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.229 -3.723 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.919 -3.394 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.357 -2.708 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.691 -5.199 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.169 -5.806 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.466 -4.054 1.182 1.00 0.00 H new ATOM 472 N TYR A 33 6.288 -4.913 6.677 1.00 0.00 N ATOM 473 CA TYR A 33 5.306 -4.422 7.683 1.00 0.00 C ATOM 474 C TYR A 33 5.529 -5.009 9.068 1.00 0.00 C ATOM 475 O TYR A 33 4.695 -5.718 9.594 1.00 0.00 O ATOM 476 CB TYR A 33 3.943 -4.816 7.145 1.00 0.00 C ATOM 477 CG TYR A 33 3.713 -3.999 5.924 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.941 -2.622 5.971 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.310 -4.610 4.744 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.754 -1.846 4.831 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.128 -3.846 3.597 1.00 0.00 C ATOM 482 CZ TYR A 33 3.346 -2.456 3.633 1.00 0.00 C ATOM 483 OH TYR A 33 3.165 -1.696 2.495 1.00 0.00 O ATOM 0 H TYR A 33 6.207 -5.899 6.428 1.00 0.00 H new ATOM 0 HA TYR A 33 5.408 -3.345 7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.912 -5.880 6.910 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.166 -4.631 7.887 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.263 -2.159 6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.138 -5.676 4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.922 -0.780 4.867 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.819 -4.320 2.677 1.00 0.00 H new ATOM 0 HH TYR A 33 2.883 -2.275 1.756 1.00 0.00 H new ATOM 559 N CYS A 39 -4.335 -4.789 11.787 1.00 0.00 N ATOM 560 CA CYS A 39 -5.003 -5.318 10.552 1.00 0.00 C ATOM 561 C CYS A 39 -4.974 -6.844 10.542 1.00 0.00 C ATOM 562 O CYS A 39 -5.944 -7.489 10.199 1.00 0.00 O ATOM 563 CB CYS A 39 -4.189 -4.767 9.393 1.00 0.00 C ATOM 564 SG CYS A 39 -2.418 -4.951 9.731 1.00 0.00 S ATOM 0 HA CYS A 39 -6.050 -5.020 10.496 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.448 -5.293 8.474 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.430 -3.715 9.237 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.225 -5.011 11.015 1.00 0.00 H new ATOM 569 N GLY A 40 -3.865 -7.430 10.909 1.00 0.00 N ATOM 570 CA GLY A 40 -3.781 -8.916 10.902 1.00 0.00 C ATOM 571 C GLY A 40 -4.372 -9.418 9.588 1.00 0.00 C ATOM 572 O GLY A 40 -5.006 -10.453 9.530 1.00 0.00 O ATOM 0 H GLY A 40 -3.020 -6.946 11.211 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.745 -9.239 11.001 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.327 -9.332 11.749 1.00 0.00 H new ATOM 576 N GLY A 41 -4.180 -8.672 8.535 1.00 0.00 N ATOM 577 CA GLY A 41 -4.742 -9.077 7.220 1.00 0.00 C ATOM 578 C GLY A 41 -6.221 -8.696 7.177 1.00 0.00 C ATOM 579 O GLY A 41 -7.020 -9.342 6.530 1.00 0.00 O ATOM 0 H GLY A 41 -3.656 -7.797 8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.202 -8.585 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.625 -10.151 7.074 1.00 0.00 H new ATOM 583 N SER A 42 -6.595 -7.651 7.870 1.00 0.00 N ATOM 584 CA SER A 42 -8.028 -7.240 7.870 1.00 0.00 C ATOM 585 C SER A 42 -8.174 -5.759 7.528 1.00 0.00 C ATOM 586 O SER A 42 -9.267 -5.266 7.330 1.00 0.00 O ATOM 587 CB SER A 42 -8.533 -7.526 9.283 1.00 0.00 C ATOM 588 OG SER A 42 -9.919 -7.837 9.232 1.00 0.00 O ATOM 0 H SER A 42 -5.974 -7.069 8.432 1.00 0.00 H new ATOM 0 HA SER A 42 -8.601 -7.783 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.978 -8.357 9.719 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.366 -6.660 9.924 1.00 0.00 H new ATOM 0 HG SER A 42 -10.246 -8.023 10.137 1.00 0.00 H new ATOM 594 N ALA A 43 -7.083 -5.055 7.427 1.00 0.00 N ATOM 595 CA ALA A 43 -7.144 -3.608 7.060 1.00 0.00 C ATOM 596 C ALA A 43 -7.662 -2.729 8.194 1.00 0.00 C ATOM 597 O ALA A 43 -8.618 -2.002 8.043 1.00 0.00 O ATOM 598 CB ALA A 43 -8.096 -3.530 5.887 1.00 0.00 C ATOM 0 H ALA A 43 -6.143 -5.420 7.583 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.144 -3.241 6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.190 -2.494 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.711 -4.134 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.074 -3.907 6.187 1.00 0.00 H new ATOM 604 N SER A 44 -7.019 -2.769 9.306 1.00 0.00 N ATOM 605 CA SER A 44 -7.409 -1.888 10.439 1.00 0.00 C ATOM 606 C SER A 44 -6.115 -1.269 10.977 1.00 0.00 C ATOM 607 O SER A 44 -5.915 -1.145 12.168 1.00 0.00 O ATOM 608 CB SER A 44 -8.089 -2.802 11.459 1.00 0.00 C ATOM 609 OG SER A 44 -7.774 -2.367 12.775 1.00 0.00 O ATOM 0 H SER A 44 -6.225 -3.381 9.492 1.00 0.00 H new ATOM 0 HA SER A 44 -8.090 -1.079 10.175 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.169 -2.790 11.310 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.759 -3.831 11.317 1.00 0.00 H new ATOM 0 HG SER A 44 -6.801 -2.301 12.874 1.00 0.00 H new ATOM 615 N CYS A 45 -5.195 -0.954 10.092 1.00 0.00 N ATOM 616 CA CYS A 45 -3.870 -0.435 10.564 1.00 0.00 C ATOM 617 C CYS A 45 -3.569 1.042 10.250 1.00 0.00 C ATOM 618 O CYS A 45 -3.971 1.604 9.265 1.00 0.00 O ATOM 619 CB CYS A 45 -2.802 -1.360 9.940 1.00 0.00 C ATOM 620 SG CYS A 45 -3.282 -1.914 8.285 1.00 0.00 S ATOM 0 H CYS A 45 -5.302 -1.032 9.081 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.874 -0.452 11.654 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.850 -0.832 9.885 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.649 -2.226 10.584 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.795 -3.099 8.066 1.00 0.00 H new ATOM 625 N ALA A 46 -2.799 1.662 11.097 1.00 0.00 N ATOM 626 CA ALA A 46 -2.411 3.076 10.854 1.00 0.00 C ATOM 627 C ALA A 46 -0.918 3.134 10.511 1.00 0.00 C ATOM 628 O ALA A 46 -0.355 4.192 10.316 1.00 0.00 O ATOM 629 CB ALA A 46 -2.695 3.805 12.168 1.00 0.00 C ATOM 0 H ALA A 46 -2.421 1.249 11.949 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.957 3.529 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.432 4.858 12.064 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.754 3.718 12.411 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.102 3.360 12.967 1.00 0.00 H new ATOM 635 N THR A 47 -0.271 1.994 10.447 1.00 0.00 N ATOM 636 CA THR A 47 1.186 1.975 10.128 1.00 0.00 C ATOM 637 C THR A 47 1.444 1.388 8.732 1.00 0.00 C ATOM 638 O THR A 47 2.345 1.814 8.039 1.00 0.00 O ATOM 639 CB THR A 47 1.817 1.098 11.212 1.00 0.00 C ATOM 640 OG1 THR A 47 1.053 -0.089 11.367 1.00 0.00 O ATOM 641 CG2 THR A 47 1.843 1.862 12.534 1.00 0.00 C ATOM 0 H THR A 47 -0.692 1.078 10.602 1.00 0.00 H new ATOM 0 HA THR A 47 1.609 2.980 10.114 1.00 0.00 H new ATOM 0 HB THR A 47 2.835 0.839 10.921 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.459 -0.651 12.060 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.292 1.238 13.306 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.430 2.773 12.416 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.825 2.122 12.824 1.00 0.00 H new ATOM 649 N CYS A 48 0.668 0.422 8.298 1.00 0.00 N ATOM 650 CA CYS A 48 0.912 -0.143 6.935 1.00 0.00 C ATOM 651 C CYS A 48 0.354 0.796 5.867 1.00 0.00 C ATOM 652 O CYS A 48 0.307 0.458 4.703 1.00 0.00 O ATOM 653 CB CYS A 48 0.200 -1.495 6.841 1.00 0.00 C ATOM 654 SG CYS A 48 0.122 -2.363 8.420 1.00 0.00 S ATOM 0 H CYS A 48 -0.107 0.009 8.817 1.00 0.00 H new ATOM 0 HA CYS A 48 1.983 -0.261 6.772 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.812 -1.341 6.467 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.716 -2.121 6.114 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.121 -2.554 8.749 1.00 0.00 H new ATOM 659 N HIS A 49 -0.082 1.969 6.236 1.00 0.00 N ATOM 660 CA HIS A 49 -0.634 2.891 5.206 1.00 0.00 C ATOM 661 C HIS A 49 0.390 3.049 4.082 1.00 0.00 C ATOM 662 O HIS A 49 1.576 2.940 4.308 1.00 0.00 O ATOM 663 CB HIS A 49 -0.867 4.217 5.931 1.00 0.00 C ATOM 664 CG HIS A 49 -1.525 5.188 4.988 1.00 0.00 C ATOM 665 ND1 HIS A 49 -1.446 6.559 5.166 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.254 5.003 3.837 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.104 7.137 4.146 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.609 6.234 3.307 1.00 0.00 N ATOM 0 H HIS A 49 -0.080 2.325 7.192 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.558 2.526 4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.496 4.060 6.808 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.080 4.622 6.286 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -0.975 7.042 5.931 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.511 4.045 3.411 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.210 8.205 4.022 1.00 0.00 H new ATOM 676 N VAL A 50 -0.054 3.291 2.875 1.00 0.00 N ATOM 677 CA VAL A 50 0.908 3.450 1.743 1.00 0.00 C ATOM 678 C VAL A 50 0.256 4.183 0.572 1.00 0.00 C ATOM 679 O VAL A 50 -0.950 4.298 0.479 1.00 0.00 O ATOM 680 CB VAL A 50 1.277 2.034 1.310 1.00 0.00 C ATOM 681 CG1 VAL A 50 2.169 1.380 2.364 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.004 1.220 1.132 1.00 0.00 C ATOM 0 H VAL A 50 -1.038 3.385 2.625 1.00 0.00 H new ATOM 0 HA VAL A 50 1.777 4.032 2.050 1.00 0.00 H new ATOM 0 HB VAL A 50 1.823 2.070 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.427 0.370 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.080 1.966 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.637 1.337 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.249 0.206 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.548 1.186 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.629 1.687 0.370 1.00 0.00 H new ATOM 692 N TYR A 51 1.061 4.646 -0.337 1.00 0.00 N ATOM 693 CA TYR A 51 0.537 5.344 -1.540 1.00 0.00 C ATOM 694 C TYR A 51 0.955 4.558 -2.774 1.00 0.00 C ATOM 695 O TYR A 51 2.122 4.309 -2.999 1.00 0.00 O ATOM 696 CB TYR A 51 1.185 6.726 -1.534 1.00 0.00 C ATOM 697 CG TYR A 51 0.279 7.678 -0.800 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.152 7.361 0.489 1.00 0.00 C ATOM 699 CD2 TYR A 51 -0.176 8.849 -1.420 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.027 8.209 1.159 1.00 0.00 C ATOM 701 CE2 TYR A 51 -1.049 9.707 -0.737 1.00 0.00 C ATOM 702 CZ TYR A 51 -1.474 9.385 0.553 1.00 0.00 C ATOM 703 OH TYR A 51 -2.340 10.222 1.226 1.00 0.00 O ATOM 0 H TYR A 51 2.077 4.569 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.550 5.427 -1.542 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.161 6.684 -1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.349 7.071 -2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.194 6.456 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.145 9.090 -2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.363 7.957 2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.392 10.616 -1.208 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.827 10.851 1.775 1.00 0.00 H new ATOM 713 N VAL A 52 0.016 4.151 -3.564 1.00 0.00 N ATOM 714 CA VAL A 52 0.384 3.356 -4.782 1.00 0.00 C ATOM 715 C VAL A 52 0.561 4.293 -5.999 1.00 0.00 C ATOM 716 O VAL A 52 -0.073 5.325 -6.071 1.00 0.00 O ATOM 717 CB VAL A 52 -0.784 2.390 -5.027 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.385 1.359 -6.102 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.125 1.659 -3.724 1.00 0.00 C ATOM 0 H VAL A 52 -0.981 4.324 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 52 1.324 2.822 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.653 2.953 -5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.215 0.674 -6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.142 1.876 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.485 0.797 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.954 0.973 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.255 1.098 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.409 2.386 -2.963 1.00 0.00 H new ATOM 729 N ASN A 53 1.386 3.952 -6.973 1.00 0.00 N ATOM 730 CA ASN A 53 1.519 4.853 -8.162 1.00 0.00 C ATOM 731 C ASN A 53 0.286 4.709 -9.058 1.00 0.00 C ATOM 732 O ASN A 53 -0.131 3.616 -9.383 1.00 0.00 O ATOM 733 CB ASN A 53 2.789 4.432 -8.923 1.00 0.00 C ATOM 734 CG ASN A 53 2.787 2.936 -9.262 1.00 0.00 C ATOM 735 OD1 ASN A 53 3.693 2.463 -9.918 1.00 0.00 O ATOM 736 ND2 ASN A 53 1.813 2.167 -8.885 1.00 0.00 N ATOM 0 H ASN A 53 1.958 3.108 -6.992 1.00 0.00 H new ATOM 0 HA ASN A 53 1.593 5.896 -7.854 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.870 5.012 -9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.667 4.666 -8.321 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.815 1.179 -9.140 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.045 2.550 -8.334 1.00 0.00 H new ATOM 743 N GLU A 54 -0.303 5.812 -9.439 1.00 0.00 N ATOM 744 CA GLU A 54 -1.529 5.779 -10.299 1.00 0.00 C ATOM 745 C GLU A 54 -1.491 4.624 -11.310 1.00 0.00 C ATOM 746 O GLU A 54 -2.518 4.134 -11.733 1.00 0.00 O ATOM 747 CB GLU A 54 -1.525 7.121 -11.031 1.00 0.00 C ATOM 748 CG GLU A 54 -0.211 7.283 -11.798 1.00 0.00 C ATOM 749 CD GLU A 54 0.114 8.770 -11.946 1.00 0.00 C ATOM 750 OE1 GLU A 54 -0.320 9.356 -12.924 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.792 9.297 -11.079 1.00 0.00 O ATOM 0 H GLU A 54 0.016 6.748 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.427 5.622 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.369 7.174 -11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.644 7.936 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.596 6.775 -11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.292 6.818 -12.781 1.00 0.00 H new ATOM 758 N ALA A 55 -0.330 4.198 -11.717 1.00 0.00 N ATOM 759 CA ALA A 55 -0.256 3.093 -12.718 1.00 0.00 C ATOM 760 C ALA A 55 -0.792 1.774 -12.143 1.00 0.00 C ATOM 761 O ALA A 55 -1.109 0.860 -12.876 1.00 0.00 O ATOM 762 CB ALA A 55 1.230 2.964 -13.054 1.00 0.00 C ATOM 0 H ALA A 55 0.569 4.563 -11.403 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.866 3.309 -13.595 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.370 2.169 -13.787 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.593 3.906 -13.466 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.788 2.725 -12.149 1.00 0.00 H new ATOM 768 N PHE A 56 -0.890 1.657 -10.846 1.00 0.00 N ATOM 769 CA PHE A 56 -1.402 0.382 -10.253 1.00 0.00 C ATOM 770 C PHE A 56 -2.546 0.668 -9.276 1.00 0.00 C ATOM 771 O PHE A 56 -3.269 -0.221 -8.874 1.00 0.00 O ATOM 772 CB PHE A 56 -0.183 -0.227 -9.555 1.00 0.00 C ATOM 773 CG PHE A 56 0.833 -0.564 -10.632 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.566 0.480 -11.219 1.00 0.00 C ATOM 775 CD2 PHE A 56 1.035 -1.892 -11.082 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.478 0.212 -12.242 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.956 -2.143 -12.097 1.00 0.00 C ATOM 778 CZ PHE A 56 2.672 -1.097 -12.682 1.00 0.00 C ATOM 0 H PHE A 56 -0.640 2.382 -10.173 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.818 -0.300 -10.995 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.238 0.475 -8.836 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.465 -1.121 -9.000 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.424 1.495 -10.878 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.478 -2.705 -10.641 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.034 1.020 -12.693 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.117 -3.156 -12.434 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.376 -1.302 -13.475 1.00 0.00 H new ATOM 788 N THR A 57 -2.743 1.910 -8.928 1.00 0.00 N ATOM 789 CA THR A 57 -3.878 2.255 -8.015 1.00 0.00 C ATOM 790 C THR A 57 -5.155 2.325 -8.858 1.00 0.00 C ATOM 791 O THR A 57 -6.158 1.712 -8.551 1.00 0.00 O ATOM 792 CB THR A 57 -3.582 3.637 -7.390 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.396 4.619 -8.018 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.111 4.029 -7.558 1.00 0.00 C ATOM 0 H THR A 57 -2.173 2.699 -9.232 1.00 0.00 H new ATOM 0 HA THR A 57 -3.999 1.514 -7.225 1.00 0.00 H new ATOM 0 HB THR A 57 -3.801 3.579 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.077 4.932 -7.387 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.941 5.006 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.479 3.288 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.865 4.072 -8.619 1.00 0.00 H new ATOM 802 N ASP A 58 -5.104 3.070 -9.937 1.00 0.00 N ATOM 803 CA ASP A 58 -6.290 3.192 -10.834 1.00 0.00 C ATOM 804 C ASP A 58 -6.630 1.814 -11.411 1.00 0.00 C ATOM 805 O ASP A 58 -7.736 1.556 -11.842 1.00 0.00 O ATOM 806 CB ASP A 58 -5.848 4.177 -11.934 1.00 0.00 C ATOM 807 CG ASP A 58 -5.291 3.423 -13.149 1.00 0.00 C ATOM 808 OD1 ASP A 58 -6.086 2.902 -13.914 1.00 0.00 O ATOM 809 OD2 ASP A 58 -4.080 3.381 -13.292 1.00 0.00 O ATOM 0 H ASP A 58 -4.285 3.601 -10.234 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.185 3.548 -10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.694 4.792 -12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.089 4.852 -11.540 1.00 0.00 H new ATOM 814 N LYS A 59 -5.673 0.933 -11.402 1.00 0.00 N ATOM 815 CA LYS A 59 -5.899 -0.445 -11.924 1.00 0.00 C ATOM 816 C LYS A 59 -6.616 -1.250 -10.879 1.00 0.00 C ATOM 817 O LYS A 59 -7.659 -1.841 -11.083 1.00 0.00 O ATOM 818 CB LYS A 59 -4.508 -1.061 -12.043 1.00 0.00 C ATOM 819 CG LYS A 59 -3.512 -0.044 -12.610 1.00 0.00 C ATOM 820 CD LYS A 59 -4.140 0.692 -13.795 1.00 0.00 C ATOM 821 CE LYS A 59 -4.311 -0.279 -14.967 1.00 0.00 C ATOM 822 NZ LYS A 59 -5.163 0.449 -15.948 1.00 0.00 N ATOM 0 H LYS A 59 -4.731 1.109 -11.051 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.463 -0.430 -12.857 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.170 -1.401 -11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.547 -1.938 -12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.227 0.669 -11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.601 -0.551 -12.927 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.106 1.107 -13.508 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.509 1.530 -14.092 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.348 -0.546 -15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.784 -1.207 -14.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.934 -0.172 -16.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.564 1.296 -15.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.586 0.732 -16.766 1.00 0.00 H new ATOM 836 N VAL A 60 -5.993 -1.279 -9.758 1.00 0.00 N ATOM 837 CA VAL A 60 -6.485 -2.032 -8.609 1.00 0.00 C ATOM 838 C VAL A 60 -7.658 -1.289 -7.964 1.00 0.00 C ATOM 839 O VAL A 60 -7.638 -0.080 -7.840 1.00 0.00 O ATOM 840 CB VAL A 60 -5.225 -2.068 -7.750 1.00 0.00 C ATOM 841 CG1 VAL A 60 -5.219 -0.926 -6.749 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.107 -3.410 -7.066 1.00 0.00 C ATOM 0 H VAL A 60 -5.118 -0.784 -9.587 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.888 -3.025 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.354 -1.936 -8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.311 -0.973 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.253 0.025 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.089 -1.008 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.205 -3.429 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.979 -3.573 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.052 -4.198 -7.817 1.00 0.00 H new ATOM 852 N PRO A 61 -8.652 -2.043 -7.599 1.00 0.00 N ATOM 853 CA PRO A 61 -9.869 -1.460 -6.986 1.00 0.00 C ATOM 854 C PRO A 61 -9.574 -0.805 -5.652 1.00 0.00 C ATOM 855 O PRO A 61 -8.575 -1.058 -5.007 1.00 0.00 O ATOM 856 CB PRO A 61 -10.809 -2.648 -6.835 1.00 0.00 C ATOM 857 CG PRO A 61 -9.911 -3.845 -6.823 1.00 0.00 C ATOM 858 CD PRO A 61 -8.737 -3.502 -7.707 1.00 0.00 C ATOM 0 HA PRO A 61 -10.297 -0.663 -7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.389 -2.579 -5.915 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.522 -2.696 -7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.581 -4.073 -5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.433 -4.727 -7.195 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.821 -3.985 -7.366 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.901 -3.821 -8.736 1.00 0.00 H new ATOM 866 N ALA A 62 -10.453 0.057 -5.259 1.00 0.00 N ATOM 867 CA ALA A 62 -10.289 0.791 -3.989 1.00 0.00 C ATOM 868 C ALA A 62 -10.726 -0.070 -2.807 1.00 0.00 C ATOM 869 O ALA A 62 -10.928 -1.262 -2.927 1.00 0.00 O ATOM 870 CB ALA A 62 -11.202 1.998 -4.155 1.00 0.00 C ATOM 0 H ALA A 62 -11.300 0.289 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.255 1.070 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.155 2.616 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.879 2.583 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.227 1.660 -4.309 1.00 0.00 H new ATOM 876 N ALA A 63 -10.867 0.535 -1.668 1.00 0.00 N ATOM 877 CA ALA A 63 -11.286 -0.226 -0.459 1.00 0.00 C ATOM 878 C ALA A 63 -12.704 0.171 -0.036 1.00 0.00 C ATOM 879 O ALA A 63 -13.411 0.850 -0.753 1.00 0.00 O ATOM 880 CB ALA A 63 -10.278 0.169 0.613 1.00 0.00 C ATOM 0 H ALA A 63 -10.710 1.532 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.304 -1.302 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.514 -0.349 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.275 -0.107 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.323 1.246 0.776 1.00 0.00 H new ATOM 886 N ASN A 64 -13.123 -0.250 1.129 1.00 0.00 N ATOM 887 CA ASN A 64 -14.493 0.102 1.605 1.00 0.00 C ATOM 888 C ASN A 64 -14.436 1.267 2.599 1.00 0.00 C ATOM 889 O ASN A 64 -13.628 2.164 2.475 1.00 0.00 O ATOM 890 CB ASN A 64 -15.010 -1.159 2.296 1.00 0.00 C ATOM 891 CG ASN A 64 -14.163 -1.445 3.537 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.325 -0.649 3.912 1.00 0.00 O ATOM 893 ND2 ASN A 64 -14.346 -2.557 4.195 1.00 0.00 N ATOM 0 H ASN A 64 -12.575 -0.823 1.771 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.139 0.417 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.055 -1.029 2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.967 -2.005 1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.786 -2.757 5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.049 -3.226 3.881 1.00 0.00 H new ATOM 900 N GLU A 65 -15.292 1.252 3.585 1.00 0.00 N ATOM 901 CA GLU A 65 -15.296 2.350 4.594 1.00 0.00 C ATOM 902 C GLU A 65 -14.185 2.126 5.623 1.00 0.00 C ATOM 903 O GLU A 65 -13.713 3.053 6.252 1.00 0.00 O ATOM 904 CB GLU A 65 -16.673 2.268 5.258 1.00 0.00 C ATOM 905 CG GLU A 65 -16.714 1.071 6.210 1.00 0.00 C ATOM 906 CD GLU A 65 -16.282 1.515 7.608 1.00 0.00 C ATOM 907 OE1 GLU A 65 -16.501 2.670 7.936 1.00 0.00 O ATOM 908 OE2 GLU A 65 -15.739 0.693 8.328 1.00 0.00 O ATOM 0 H GLU A 65 -15.991 0.524 3.735 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.117 3.327 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.879 3.188 5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.449 2.168 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.721 0.655 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.055 0.282 5.848 1.00 0.00 H new ATOM 915 N ARG A 66 -13.756 0.905 5.794 1.00 0.00 N ATOM 916 CA ARG A 66 -12.669 0.631 6.776 1.00 0.00 C ATOM 917 C ARG A 66 -11.384 1.316 6.319 1.00 0.00 C ATOM 918 O ARG A 66 -10.752 2.038 7.062 1.00 0.00 O ATOM 919 CB ARG A 66 -12.484 -0.886 6.765 1.00 0.00 C ATOM 920 CG ARG A 66 -12.717 -1.436 8.173 1.00 0.00 C ATOM 921 CD ARG A 66 -12.478 -2.947 8.176 1.00 0.00 C ATOM 922 NE ARG A 66 -13.680 -3.528 7.517 1.00 0.00 N ATOM 923 CZ ARG A 66 -14.769 -3.731 8.206 1.00 0.00 C ATOM 924 NH1 ARG A 66 -14.794 -4.653 9.129 1.00 0.00 N ATOM 925 NH2 ARG A 66 -15.832 -3.011 7.973 1.00 0.00 N ATOM 0 H ARG A 66 -14.110 0.087 5.297 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.910 1.002 7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.182 -1.344 6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.479 -1.139 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.046 -0.949 8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.735 -1.217 8.497 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.568 -3.204 7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.362 -3.326 9.191 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.652 -3.768 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.962 -5.215 9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.645 -4.812 9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.811 -2.290 7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.684 -3.170 8.512 1.00 0.00 H new ATOM 939 N GLU A 67 -11.002 1.102 5.094 1.00 0.00 N ATOM 940 CA GLU A 67 -9.764 1.736 4.570 1.00 0.00 C ATOM 941 C GLU A 67 -9.875 3.260 4.651 1.00 0.00 C ATOM 942 O GLU A 67 -8.914 3.970 4.470 1.00 0.00 O ATOM 943 CB GLU A 67 -9.699 1.280 3.114 1.00 0.00 C ATOM 944 CG GLU A 67 -8.763 2.190 2.320 1.00 0.00 C ATOM 945 CD GLU A 67 -7.468 2.391 3.103 1.00 0.00 C ATOM 946 OE1 GLU A 67 -7.146 1.534 3.906 1.00 0.00 O ATOM 947 OE2 GLU A 67 -6.829 3.403 2.893 1.00 0.00 O ATOM 0 H GLU A 67 -11.498 0.510 4.428 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.875 1.457 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.347 0.250 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.696 1.298 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.548 1.749 1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.242 3.151 2.135 1.00 0.00 H new ATOM 954 N ILE A 68 -11.037 3.774 4.918 1.00 0.00 N ATOM 955 CA ILE A 68 -11.180 5.250 5.005 1.00 0.00 C ATOM 956 C ILE A 68 -10.929 5.713 6.447 1.00 0.00 C ATOM 957 O ILE A 68 -10.700 6.877 6.699 1.00 0.00 O ATOM 958 CB ILE A 68 -12.623 5.522 4.568 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.684 5.600 3.041 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.119 6.842 5.161 1.00 0.00 C ATOM 961 CD1 ILE A 68 -11.936 4.411 2.434 1.00 0.00 C ATOM 0 H ILE A 68 -11.891 3.240 5.079 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.466 5.788 4.382 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.259 4.712 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.722 5.597 2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.241 6.535 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.146 7.021 4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.082 6.789 6.249 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.484 7.658 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.981 4.469 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.895 4.434 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.398 3.482 2.767 1.00 0.00 H new ATOM 973 N GLY A 69 -10.972 4.810 7.395 1.00 0.00 N ATOM 974 CA GLY A 69 -10.734 5.212 8.816 1.00 0.00 C ATOM 975 C GLY A 69 -9.248 5.097 9.153 1.00 0.00 C ATOM 976 O GLY A 69 -8.595 6.081 9.443 1.00 0.00 O ATOM 0 H GLY A 69 -11.160 3.818 7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.072 6.236 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.316 4.577 9.484 1.00 0.00 H new ATOM 980 N MET A 70 -8.697 3.916 9.107 1.00 0.00 N ATOM 981 CA MET A 70 -7.245 3.780 9.414 1.00 0.00 C ATOM 982 C MET A 70 -6.496 4.823 8.618 1.00 0.00 C ATOM 983 O MET A 70 -5.637 5.539 9.096 1.00 0.00 O ATOM 984 CB MET A 70 -6.813 2.449 8.819 1.00 0.00 C ATOM 985 CG MET A 70 -7.476 1.255 9.477 1.00 0.00 C ATOM 986 SD MET A 70 -8.834 0.700 8.436 1.00 0.00 S ATOM 987 CE MET A 70 -7.760 0.069 7.128 1.00 0.00 C ATOM 0 H MET A 70 -9.181 3.049 8.873 1.00 0.00 H new ATOM 0 HA MET A 70 -7.060 3.869 10.484 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.044 2.443 7.754 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.731 2.352 8.911 1.00 0.00 H new ATOM 0 HG2 MET A 70 -6.753 0.451 9.615 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.845 1.526 10.466 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.350 -0.518 6.424 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.295 0.904 6.604 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.985 -0.561 7.565 1.00 0.00 H new ATOM 997 N LEU A 71 -6.832 4.853 7.375 1.00 0.00 N ATOM 998 CA LEU A 71 -6.203 5.767 6.410 1.00 0.00 C ATOM 999 C LEU A 71 -6.551 7.220 6.761 1.00 0.00 C ATOM 1000 O LEU A 71 -5.767 8.126 6.561 1.00 0.00 O ATOM 1001 CB LEU A 71 -6.844 5.301 5.101 1.00 0.00 C ATOM 1002 CG LEU A 71 -5.966 5.606 3.877 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -6.871 5.984 2.706 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.019 6.770 4.152 1.00 0.00 C ATOM 0 H LEU A 71 -7.551 4.253 6.971 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.114 5.746 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.030 4.228 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.812 5.787 4.980 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.374 4.720 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.260 6.203 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.542 5.155 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.457 6.864 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.411 6.961 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.598 7.661 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.370 6.520 4.991 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.713 7.443 7.308 1.00 0.00 N ATOM 1017 CA GLU A 72 -8.104 8.831 7.691 1.00 0.00 C ATOM 1018 C GLU A 72 -7.266 9.301 8.888 1.00 0.00 C ATOM 1019 O GLU A 72 -6.818 10.429 8.937 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.590 8.729 8.060 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.963 9.800 9.091 1.00 0.00 C ATOM 1022 CD GLU A 72 -11.282 10.461 8.687 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -12.274 9.755 8.599 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -11.279 11.661 8.471 1.00 0.00 O ATOM 0 H GLU A 72 -8.410 6.725 7.507 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.936 9.553 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.202 8.848 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.804 7.739 8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.057 9.351 10.080 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.173 10.549 9.155 1.00 0.00 H new ATOM 1031 N CYS A 73 -7.056 8.449 9.855 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.254 8.862 11.042 1.00 0.00 C ATOM 1033 C CYS A 73 -4.950 9.515 10.584 1.00 0.00 C ATOM 1034 O CYS A 73 -4.521 10.516 11.122 1.00 0.00 O ATOM 1035 CB CYS A 73 -5.970 7.565 11.801 1.00 0.00 C ATOM 1036 SG CYS A 73 -6.700 7.662 13.455 1.00 0.00 S ATOM 0 H CYS A 73 -7.403 7.490 9.875 1.00 0.00 H new ATOM 0 HA CYS A 73 -6.775 9.588 11.666 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.384 6.715 11.258 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.895 7.402 11.875 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.461 6.559 14.100 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.323 8.957 9.588 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.049 9.550 9.085 1.00 0.00 C ATOM 1044 C VAL A 74 -3.341 10.570 7.979 1.00 0.00 C ATOM 1045 O VAL A 74 -2.949 10.405 6.841 1.00 0.00 O ATOM 1046 CB VAL A 74 -2.233 8.378 8.538 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.705 7.537 9.702 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -3.108 7.504 7.637 1.00 0.00 C ATOM 0 H VAL A 74 -4.635 8.118 9.100 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.508 10.077 9.871 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.398 8.767 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.123 6.701 9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.072 8.154 10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.543 7.155 10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.518 6.672 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.949 7.117 8.212 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.481 8.100 6.804 1.00 0.00 H new ATOM 1058 N THR A 75 -4.033 11.622 8.316 1.00 0.00 N ATOM 1059 CA THR A 75 -4.369 12.671 7.306 1.00 0.00 C ATOM 1060 C THR A 75 -3.122 13.105 6.524 1.00 0.00 C ATOM 1061 O THR A 75 -2.427 14.023 6.913 1.00 0.00 O ATOM 1062 CB THR A 75 -4.889 13.840 8.138 1.00 0.00 C ATOM 1063 OG1 THR A 75 -5.274 14.901 7.274 1.00 0.00 O ATOM 1064 CG2 THR A 75 -3.782 14.320 9.081 1.00 0.00 C ATOM 0 H THR A 75 -4.385 11.804 9.256 1.00 0.00 H new ATOM 0 HA THR A 75 -5.089 12.312 6.571 1.00 0.00 H new ATOM 0 HB THR A 75 -5.752 13.520 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.610 15.652 7.807 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.149 15.155 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.487 13.504 9.741 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.921 14.643 8.496 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.841 12.467 5.419 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.645 12.858 4.613 1.00 0.00 C ATOM 1074 C ALA A 76 -2.037 13.042 3.143 1.00 0.00 C ATOM 1075 O ALA A 76 -1.747 12.204 2.313 1.00 0.00 O ATOM 1076 CB ALA A 76 -0.669 11.691 4.762 1.00 0.00 C ATOM 0 H ALA A 76 -3.386 11.693 5.039 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.210 13.800 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.239 11.902 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.419 11.558 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.130 10.780 4.381 1.00 0.00 H new ATOM 1082 N GLU A 77 -2.701 14.126 2.820 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.126 14.363 1.404 1.00 0.00 C ATOM 1084 C GLU A 77 -3.583 13.053 0.785 1.00 0.00 C ATOM 1085 O GLU A 77 -3.033 12.560 -0.179 1.00 0.00 O ATOM 1086 CB GLU A 77 -1.904 14.938 0.680 1.00 0.00 C ATOM 1087 CG GLU A 77 -0.738 13.950 0.757 1.00 0.00 C ATOM 1088 CD GLU A 77 0.374 14.399 -0.194 1.00 0.00 C ATOM 1089 OE1 GLU A 77 0.856 15.507 -0.030 1.00 0.00 O ATOM 1090 OE2 GLU A 77 0.723 13.626 -1.071 1.00 0.00 O ATOM 0 H GLU A 77 -2.968 14.859 3.478 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.964 15.056 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.151 15.142 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.617 15.888 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.359 13.897 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.077 12.949 0.490 1.00 0.00 H new ATOM 1097 N LEU A 78 -4.584 12.491 1.372 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.132 11.198 0.903 1.00 0.00 C ATOM 1099 C LEU A 78 -5.613 11.257 -0.547 1.00 0.00 C ATOM 1100 O LEU A 78 -6.517 11.993 -0.887 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.306 10.970 1.832 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.170 9.597 2.483 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -5.354 9.723 3.768 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -7.559 9.047 2.804 1.00 0.00 C ATOM 0 H LEU A 78 -5.063 12.883 2.183 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.383 10.406 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.337 11.747 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.242 11.032 1.277 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.663 8.916 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.256 8.743 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.364 10.114 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.859 10.402 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.463 8.066 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.070 9.725 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.136 8.957 1.884 1.00 0.00 H new ATOM 1116 N LYS A 79 -5.039 10.446 -1.391 1.00 0.00 N ATOM 1117 CA LYS A 79 -5.488 10.405 -2.815 1.00 0.00 C ATOM 1118 C LYS A 79 -6.307 9.127 -3.002 1.00 0.00 C ATOM 1119 O LYS A 79 -6.670 8.494 -2.031 1.00 0.00 O ATOM 1120 CB LYS A 79 -4.221 10.358 -3.690 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.978 10.770 -2.901 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.998 11.482 -3.829 1.00 0.00 C ATOM 1123 CE LYS A 79 -1.778 12.906 -3.322 1.00 0.00 C ATOM 1124 NZ LYS A 79 -1.158 13.632 -4.465 1.00 0.00 N ATOM 0 H LYS A 79 -4.278 9.808 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.094 11.270 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.086 9.350 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.345 11.020 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.258 11.427 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.506 9.892 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.051 10.943 -3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.389 11.501 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.719 13.369 -3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.127 12.917 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.977 14.619 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.260 13.174 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.803 13.611 -5.281 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.574 8.766 -4.227 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.348 7.533 -4.470 1.00 0.00 C ATOM 1140 C PRO A 80 -6.469 6.306 -4.230 1.00 0.00 C ATOM 1141 O PRO A 80 -6.944 5.247 -3.873 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.759 7.642 -5.931 1.00 0.00 C ATOM 1143 CG PRO A 80 -6.751 8.549 -6.562 1.00 0.00 C ATOM 1144 CD PRO A 80 -6.199 9.443 -5.480 1.00 0.00 C ATOM 0 HA PRO A 80 -8.207 7.425 -3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.762 6.664 -6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.766 8.048 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.952 7.970 -7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.212 9.143 -7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.118 9.552 -5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.625 10.445 -5.535 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.192 6.446 -4.426 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.276 5.292 -4.212 1.00 0.00 C ATOM 1154 C ASN A 81 -3.827 5.213 -2.749 1.00 0.00 C ATOM 1155 O ASN A 81 -3.542 4.147 -2.240 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.088 5.558 -5.131 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.441 6.897 -4.781 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -2.909 7.610 -3.917 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.374 7.270 -5.431 1.00 0.00 N ATOM 0 H ASN A 81 -4.740 7.310 -4.726 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.760 4.341 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.357 4.756 -5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.417 5.565 -6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.931 8.163 -5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.983 6.669 -6.156 1.00 0.00 H new ATOM 1166 N SER A 82 -3.773 6.321 -2.058 1.00 0.00 N ATOM 1167 CA SER A 82 -3.356 6.271 -0.622 1.00 0.00 C ATOM 1168 C SER A 82 -4.173 5.193 0.091 1.00 0.00 C ATOM 1169 O SER A 82 -5.348 5.372 0.344 1.00 0.00 O ATOM 1170 CB SER A 82 -3.716 7.642 -0.063 1.00 0.00 C ATOM 1171 OG SER A 82 -3.366 8.643 -1.011 1.00 0.00 O ATOM 0 H SER A 82 -3.996 7.249 -2.418 1.00 0.00 H new ATOM 0 HA SER A 82 -2.298 6.041 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.783 7.689 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.190 7.814 0.876 1.00 0.00 H new ATOM 0 HG SER A 82 -2.534 9.080 -0.733 1.00 0.00 H new ATOM 1177 N ARG A 83 -3.586 4.076 0.408 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.382 3.016 1.091 1.00 0.00 C ATOM 1179 C ARG A 83 -3.531 2.234 2.091 1.00 0.00 C ATOM 1180 O ARG A 83 -2.330 2.395 2.171 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.873 2.089 -0.025 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.404 2.053 -0.017 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.946 2.724 -1.280 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.787 1.708 -2.356 1.00 0.00 N ATOM 1185 CZ ARG A 83 -6.865 2.066 -3.607 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -7.749 2.953 -3.979 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -6.062 1.538 -4.490 1.00 0.00 N ATOM 0 H ARG A 83 -2.607 3.850 0.229 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.205 3.450 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.511 2.441 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.474 1.085 0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.752 1.021 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.784 2.563 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.991 3.009 -1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.393 3.634 -1.512 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.617 0.732 -2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.378 3.366 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.810 3.233 -4.958 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.372 0.844 -4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.124 1.819 -5.469 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.164 1.391 2.863 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.425 0.596 3.879 1.00 0.00 C ATOM 1203 C LEU A 84 -2.822 -0.669 3.265 1.00 0.00 C ATOM 1204 O LEU A 84 -3.453 -1.361 2.489 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.470 0.254 4.944 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.026 0.834 6.263 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -4.957 0.313 7.325 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -2.608 0.374 6.560 1.00 0.00 C ATOM 0 H LEU A 84 -5.169 1.220 2.831 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.583 1.149 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.442 0.658 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.585 -0.827 5.026 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.047 1.923 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.663 0.714 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.977 0.622 7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.905 -0.775 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.282 0.791 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.582 -0.714 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.941 0.715 5.768 1.00 0.00 H new ATOM 1220 N SER A 85 -1.595 -0.968 3.608 1.00 0.00 N ATOM 1221 CA SER A 85 -0.935 -2.179 3.050 1.00 0.00 C ATOM 1222 C SER A 85 -1.899 -3.364 3.033 1.00 0.00 C ATOM 1223 O SER A 85 -1.786 -4.258 2.220 1.00 0.00 O ATOM 1224 CB SER A 85 0.218 -2.488 3.980 1.00 0.00 C ATOM 1225 OG SER A 85 -0.230 -3.374 4.995 1.00 0.00 O ATOM 0 H SER A 85 -1.023 -0.422 4.252 1.00 0.00 H new ATOM 0 HA SER A 85 -0.607 -2.005 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.040 -2.938 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.600 -1.569 4.424 1.00 0.00 H new ATOM 0 HG SER A 85 -1.113 -3.090 5.311 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.822 -3.399 3.958 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.760 -4.556 4.024 1.00 0.00 C ATOM 1233 C CYS A 86 -5.101 -4.225 3.357 1.00 0.00 C ATOM 1234 O CYS A 86 -6.147 -4.678 3.779 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.884 -4.882 5.528 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.202 -4.818 6.240 1.00 0.00 S ATOM 0 H CYS A 86 -2.966 -2.680 4.667 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.398 -5.424 3.473 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.538 -4.165 6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.325 -5.868 5.672 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.275 -4.909 7.535 1.00 0.00 H new ATOM 1241 N GLN A 87 -5.072 -3.444 2.296 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.339 -3.097 1.587 1.00 0.00 C ATOM 1243 C GLN A 87 -6.289 -3.399 0.087 1.00 0.00 C ATOM 1244 O GLN A 87 -7.204 -3.982 -0.458 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.560 -1.608 1.839 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.385 -1.429 3.117 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.684 -2.240 3.019 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.716 -1.720 2.652 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.673 -3.506 3.332 1.00 0.00 N ATOM 0 H GLN A 87 -4.226 -3.037 1.897 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.160 -3.706 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.602 -1.098 1.936 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.077 -1.157 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.807 -1.755 3.982 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.615 -0.374 3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.807 -3.947 3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.530 -4.055 3.268 1.00 0.00 H new ATOM 1258 N ILE A 88 -5.260 -2.999 -0.595 1.00 0.00 N ATOM 1259 CA ILE A 88 -5.226 -3.274 -2.066 1.00 0.00 C ATOM 1260 C ILE A 88 -4.799 -4.712 -2.331 1.00 0.00 C ATOM 1261 O ILE A 88 -4.066 -5.311 -1.571 1.00 0.00 O ATOM 1262 CB ILE A 88 -4.217 -2.319 -2.709 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -4.104 -1.012 -1.913 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.687 -2.008 -4.131 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.388 0.054 -2.762 1.00 0.00 C ATOM 0 H ILE A 88 -4.453 -2.503 -0.216 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.220 -3.126 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.236 -2.793 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.096 -0.660 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.553 -1.185 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.981 -1.328 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.744 -2.932 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.672 -1.542 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.310 0.980 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.389 -0.298 -3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.957 0.235 -3.674 1.00 0.00 H new ATOM 1277 N ILE A 89 -5.251 -5.262 -3.418 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.880 -6.656 -3.762 1.00 0.00 C ATOM 1279 C ILE A 89 -3.980 -6.672 -4.997 1.00 0.00 C ATOM 1280 O ILE A 89 -3.943 -5.732 -5.767 1.00 0.00 O ATOM 1281 CB ILE A 89 -6.208 -7.365 -4.035 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.901 -7.698 -2.707 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.948 -8.653 -4.811 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.890 -8.297 -1.722 1.00 0.00 C ATOM 0 H ILE A 89 -5.867 -4.801 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.321 -7.148 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.851 -6.710 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.344 -6.797 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.715 -8.403 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.894 -9.158 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.462 -8.416 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.302 -9.307 -4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.391 -8.530 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.468 -9.209 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.091 -7.578 -1.538 1.00 0.00 H new ATOM 1296 N MET A 90 -3.259 -7.735 -5.189 1.00 0.00 N ATOM 1297 CA MET A 90 -2.362 -7.830 -6.364 1.00 0.00 C ATOM 1298 C MET A 90 -2.887 -8.869 -7.354 1.00 0.00 C ATOM 1299 O MET A 90 -2.989 -10.040 -7.043 1.00 0.00 O ATOM 1300 CB MET A 90 -1.011 -8.266 -5.794 1.00 0.00 C ATOM 1301 CG MET A 90 0.105 -7.434 -6.428 1.00 0.00 C ATOM 1302 SD MET A 90 -0.149 -7.346 -8.217 1.00 0.00 S ATOM 1303 CE MET A 90 0.590 -5.719 -8.468 1.00 0.00 C ATOM 0 H MET A 90 -3.254 -8.550 -4.575 1.00 0.00 H new ATOM 0 HA MET A 90 -2.293 -6.887 -6.906 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.003 -8.139 -4.711 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.846 -9.325 -5.992 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.112 -6.431 -6.001 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.075 -7.881 -6.209 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.041 -5.673 -9.459 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.181 -4.953 -8.384 1.00 0.00 H new ATOM 0 HE3 MET A 90 1.356 -5.547 -7.712 1.00 0.00 H new ATOM 1313 N THR A 91 -3.211 -8.454 -8.544 1.00 0.00 N ATOM 1314 CA THR A 91 -3.720 -9.423 -9.554 1.00 0.00 C ATOM 1315 C THR A 91 -2.564 -9.906 -10.435 1.00 0.00 C ATOM 1316 O THR A 91 -1.487 -9.343 -10.410 1.00 0.00 O ATOM 1317 CB THR A 91 -4.744 -8.639 -10.376 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.465 -7.251 -10.277 1.00 0.00 O ATOM 1319 CG2 THR A 91 -6.147 -8.917 -9.839 1.00 0.00 C ATOM 0 H THR A 91 -3.146 -7.487 -8.862 1.00 0.00 H new ATOM 0 HA THR A 91 -4.166 -10.308 -9.100 1.00 0.00 H new ATOM 0 HB THR A 91 -4.687 -8.948 -11.420 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.119 -6.747 -10.805 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.878 -8.359 -10.424 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.361 -9.983 -9.914 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.205 -8.608 -8.795 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.825 -10.943 -11.182 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.792 -11.516 -12.073 1.00 0.00 C ATOM 1329 C PRO A 92 -1.651 -10.679 -13.347 1.00 0.00 C ATOM 1330 O PRO A 92 -0.821 -10.952 -14.193 1.00 0.00 O ATOM 1331 CB PRO A 92 -2.322 -12.912 -12.382 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.806 -12.831 -12.188 1.00 0.00 C ATOM 1333 CD PRO A 92 -4.095 -11.670 -11.266 1.00 0.00 C ATOM 0 HA PRO A 92 -0.800 -11.535 -11.623 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.075 -13.208 -13.402 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.880 -13.655 -11.718 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.308 -12.691 -13.145 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.186 -13.760 -11.762 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.889 -11.037 -11.662 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.421 -12.014 -10.284 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.446 -9.655 -13.489 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.347 -8.795 -14.706 1.00 0.00 C ATOM 1343 C GLU A 93 -1.778 -7.425 -14.327 1.00 0.00 C ATOM 1344 O GLU A 93 -1.118 -6.774 -15.113 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.782 -8.662 -15.219 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.613 -7.857 -14.217 1.00 0.00 C ATOM 1347 CD GLU A 93 -4.543 -6.371 -14.571 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -3.670 -6.007 -15.344 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -5.359 -5.621 -14.064 1.00 0.00 O ATOM 0 H GLU A 93 -3.160 -9.375 -12.817 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.688 -9.218 -15.464 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.787 -8.168 -16.191 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.221 -9.649 -15.361 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.649 -8.197 -14.232 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.239 -8.019 -13.206 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.030 -6.988 -13.124 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.510 -5.665 -12.676 1.00 0.00 C ATOM 1358 C LEU A 94 -0.119 -5.818 -12.078 1.00 0.00 C ATOM 1359 O LEU A 94 0.067 -5.634 -10.901 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.473 -5.228 -11.585 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.377 -4.145 -12.137 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.368 -3.720 -11.053 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -2.503 -2.962 -12.561 1.00 0.00 C ATOM 0 H LEU A 94 -2.577 -7.494 -12.428 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.440 -4.954 -13.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.066 -6.076 -11.243 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.921 -4.856 -10.722 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.939 -4.508 -12.998 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.022 -2.940 -11.443 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.967 -4.579 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.822 -3.337 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.134 -2.169 -12.962 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.954 -2.587 -11.697 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.798 -3.287 -13.326 1.00 0.00 H new ATOM 1375 N ASP A 95 0.852 -6.182 -12.852 1.00 0.00 N ATOM 1376 CA ASP A 95 2.201 -6.375 -12.265 1.00 0.00 C ATOM 1377 C ASP A 95 3.145 -5.206 -12.532 1.00 0.00 C ATOM 1378 O ASP A 95 3.072 -4.542 -13.547 1.00 0.00 O ATOM 1379 CB ASP A 95 2.727 -7.659 -12.899 1.00 0.00 C ATOM 1380 CG ASP A 95 2.503 -7.624 -14.412 1.00 0.00 C ATOM 1381 OD1 ASP A 95 2.413 -6.534 -14.952 1.00 0.00 O ATOM 1382 OD2 ASP A 95 2.426 -8.689 -15.005 1.00 0.00 O ATOM 0 H ASP A 95 0.776 -6.354 -13.855 1.00 0.00 H new ATOM 0 HA ASP A 95 2.141 -6.435 -11.178 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.789 -7.773 -12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.220 -8.522 -12.468 1.00 0.00 H new ATOM 1387 N GLY A 96 4.039 -4.964 -11.605 1.00 0.00 N ATOM 1388 CA GLY A 96 5.005 -3.841 -11.762 1.00 0.00 C ATOM 1389 C GLY A 96 4.486 -2.665 -10.959 1.00 0.00 C ATOM 1390 O GLY A 96 4.684 -1.521 -11.310 1.00 0.00 O ATOM 0 H GLY A 96 4.139 -5.501 -10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.994 -4.136 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.108 -3.570 -12.813 1.00 0.00 H new ATOM 1394 N ILE A 97 3.792 -2.940 -9.897 1.00 0.00 N ATOM 1395 CA ILE A 97 3.203 -1.837 -9.106 1.00 0.00 C ATOM 1396 C ILE A 97 4.208 -1.177 -8.178 1.00 0.00 C ATOM 1397 O ILE A 97 4.963 -1.822 -7.478 1.00 0.00 O ATOM 1398 CB ILE A 97 2.072 -2.483 -8.307 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.410 -1.423 -7.412 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.629 -3.630 -7.457 1.00 0.00 C ATOM 1401 CD1 ILE A 97 2.142 -1.313 -6.073 1.00 0.00 C ATOM 0 H ILE A 97 3.608 -3.879 -9.544 1.00 0.00 H new ATOM 0 HA ILE A 97 2.855 -1.037 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 97 1.324 -2.887 -8.989 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.418 -0.457 -7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.366 -1.685 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.819 -4.088 -6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.084 -4.377 -8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.380 -3.242 -6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.658 -0.557 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.111 -2.275 -5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.179 -1.028 -6.248 1.00 0.00 H new ATOM 1413 N VAL A 98 4.191 0.124 -8.159 1.00 0.00 N ATOM 1414 CA VAL A 98 5.109 0.872 -7.267 1.00 0.00 C ATOM 1415 C VAL A 98 4.332 1.373 -6.053 1.00 0.00 C ATOM 1416 O VAL A 98 3.330 2.046 -6.187 1.00 0.00 O ATOM 1417 CB VAL A 98 5.591 2.053 -8.100 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.757 2.741 -7.388 1.00 0.00 C ATOM 1419 CG2 VAL A 98 6.052 1.558 -9.473 1.00 0.00 C ATOM 0 H VAL A 98 3.575 0.704 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 98 5.937 0.261 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 98 4.774 2.763 -8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.101 3.586 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.428 3.097 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.574 2.031 -7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.397 2.404 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.868 0.846 -9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.220 1.071 -9.982 1.00 0.00 H new ATOM 1429 N VAL A 99 4.781 1.069 -4.872 1.00 0.00 N ATOM 1430 CA VAL A 99 4.049 1.556 -3.670 1.00 0.00 C ATOM 1431 C VAL A 99 4.806 2.697 -3.069 1.00 0.00 C ATOM 1432 O VAL A 99 5.866 3.074 -3.519 1.00 0.00 O ATOM 1433 CB VAL A 99 4.047 0.442 -2.625 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.770 0.498 -1.792 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.166 -0.902 -3.283 1.00 0.00 C ATOM 0 H VAL A 99 5.614 0.511 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 99 3.039 1.853 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 99 4.906 0.589 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.783 -0.302 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.708 1.461 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.905 0.375 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.163 -1.682 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.324 -1.052 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.098 -0.950 -3.847 1.00 0.00 H new ATOM 1445 N ASP A 100 4.288 3.208 -2.021 1.00 0.00 N ATOM 1446 CA ASP A 100 4.989 4.295 -1.323 1.00 0.00 C ATOM 1447 C ASP A 100 4.441 4.431 0.083 1.00 0.00 C ATOM 1448 O ASP A 100 3.268 4.258 0.312 1.00 0.00 O ATOM 1449 CB ASP A 100 4.714 5.569 -2.124 1.00 0.00 C ATOM 1450 CG ASP A 100 5.595 5.609 -3.376 1.00 0.00 C ATOM 1451 OD1 ASP A 100 5.160 5.105 -4.398 1.00 0.00 O ATOM 1452 OD2 ASP A 100 6.685 6.150 -3.291 1.00 0.00 O ATOM 0 H ASP A 100 3.401 2.922 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 100 6.059 4.103 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.663 5.608 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.909 6.445 -1.505 1.00 0.00 H new ATOM 1457 N VAL A 101 5.249 4.772 1.028 1.00 0.00 N ATOM 1458 CA VAL A 101 4.677 4.948 2.388 1.00 0.00 C ATOM 1459 C VAL A 101 4.104 6.366 2.467 1.00 0.00 C ATOM 1460 O VAL A 101 4.562 7.256 1.778 1.00 0.00 O ATOM 1461 CB VAL A 101 5.810 4.728 3.385 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.346 5.142 4.782 1.00 0.00 C ATOM 1463 CG2 VAL A 101 6.193 3.243 3.399 1.00 0.00 C ATOM 0 H VAL A 101 6.251 4.934 0.933 1.00 0.00 H new ATOM 0 HA VAL A 101 3.876 4.243 2.611 1.00 0.00 H new ATOM 0 HB VAL A 101 6.673 5.327 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.155 4.985 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.067 6.196 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.485 4.541 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.003 3.083 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.329 2.647 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.520 2.942 2.404 1.00 0.00 H new ATOM 1473 N PRO A 102 3.084 6.519 3.258 1.00 0.00 N ATOM 1474 CA PRO A 102 2.392 7.811 3.377 1.00 0.00 C ATOM 1475 C PRO A 102 2.950 8.656 4.527 1.00 0.00 C ATOM 1476 O PRO A 102 2.974 8.234 5.665 1.00 0.00 O ATOM 1477 CB PRO A 102 0.960 7.385 3.675 1.00 0.00 C ATOM 1478 CG PRO A 102 1.059 6.013 4.281 1.00 0.00 C ATOM 1479 CD PRO A 102 2.476 5.522 4.117 1.00 0.00 C ATOM 0 HA PRO A 102 2.500 8.434 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.479 8.082 4.362 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.360 7.368 2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.788 6.044 5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.362 5.331 3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.990 5.452 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.507 4.531 3.665 1.00 0.00 H new