USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 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 NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 68 SER OG : rot 180:sc= 0.73 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -157:sc= 0.82 (180deg=0) USER MOD Set 2.1: A 73 SER OG : rot 89:sc= 1.11 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -170:sc= 1.31 (180deg=0.332) USER MOD Set 3.1: A 51 CYS SG : rot -28:sc= -3.69! USER MOD Set 3.2: A 56 SER OG : rot 70:sc= 1.27 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 11 MET CE :methyl 178:sc= -0.107 (180deg=-0.124) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -142:sc= -1.47 (180deg=-3.56!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.65 K(o=-1.6,f=-3.6) USER MOD Single : A 34 MET CE :methyl -168:sc= 0 (180deg=-0.141) USER MOD Single : A 37 THR OG1 : rot -81:sc= 0.301 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.41 K(o=-1.4,f=1.2) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.9!) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00459) USER MOD Single : A 58 ASN : amide:sc=-0.00375 X(o=-0.0038,f=0) USER MOD Single : A 61 MET CE :methyl 162:sc= -0.858 (180deg=-1.47!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= -0.0207 (180deg=-0.177) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 79 LYS NZ :NH3+ -116:sc= 0.602 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -154:sc= 0.532 (180deg=-0.138) USER MOD Single : A 86 SER OG : rot 180:sc= -0.522 USER MOD Single : A 91 LYS NZ :NH3+ -159:sc= -0.0718 (180deg=-0.46) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -34:sc= 0.279 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 16.372 -9.648 19.363 1.00 0.00 N ATOM 2 CA HIS A 10 16.872 -9.593 17.977 1.00 0.00 C ATOM 3 C HIS A 10 17.264 -11.002 17.498 1.00 0.00 C ATOM 4 O HIS A 10 18.421 -11.418 17.642 1.00 0.00 O ATOM 5 CB HIS A 10 18.065 -8.604 17.851 1.00 0.00 C ATOM 6 CG HIS A 10 17.697 -7.146 18.011 1.00 0.00 C ATOM 7 ND1 HIS A 10 18.214 -6.345 19.008 1.00 0.00 N ATOM 8 CD2 HIS A 10 16.890 -6.343 17.270 1.00 0.00 C ATOM 9 CE1 HIS A 10 17.743 -5.120 18.875 1.00 0.00 C ATOM 10 NE2 HIS A 10 16.938 -5.091 17.831 1.00 0.00 N ATOM 0 HA HIS A 10 16.072 -9.222 17.336 1.00 0.00 H new ATOM 0 HB2 HIS A 10 18.813 -8.860 18.602 1.00 0.00 H new ATOM 0 HB3 HIS A 10 18.532 -8.742 16.876 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.318 -6.635 16.402 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.977 -4.281 19.514 1.00 0.00 H new ATOM 0 HE2 HIS A 10 16.433 -4.271 17.495 1.00 0.00 H new ATOM 19 N MET A 11 16.270 -11.757 16.986 1.00 0.00 N ATOM 20 CA MET A 11 16.483 -13.066 16.315 1.00 0.00 C ATOM 21 C MET A 11 15.577 -13.151 15.079 1.00 0.00 C ATOM 22 O MET A 11 16.047 -13.367 13.961 1.00 0.00 O ATOM 23 CB MET A 11 16.236 -14.280 17.276 1.00 0.00 C ATOM 24 CG MET A 11 17.356 -14.535 18.300 1.00 0.00 C ATOM 25 SD MET A 11 17.103 -16.040 19.278 1.00 0.00 S ATOM 26 CE MET A 11 15.689 -15.600 20.283 1.00 0.00 C ATOM 0 H MET A 11 15.290 -11.478 17.024 1.00 0.00 H new ATOM 0 HA MET A 11 17.528 -13.126 16.011 1.00 0.00 H new ATOM 0 HB2 MET A 11 15.303 -14.114 17.814 1.00 0.00 H new ATOM 0 HB3 MET A 11 16.102 -15.179 16.675 1.00 0.00 H new ATOM 0 HG2 MET A 11 18.309 -14.606 17.776 1.00 0.00 H new ATOM 0 HG3 MET A 11 17.426 -13.680 18.973 1.00 0.00 H new ATOM 0 HE1 MET A 11 15.407 -16.449 20.905 1.00 0.00 H new ATOM 0 HE2 MET A 11 15.944 -14.753 20.919 1.00 0.00 H new ATOM 0 HE3 MET A 11 14.854 -15.330 19.637 1.00 0.00 H new ATOM 36 N ARG A 12 14.267 -12.955 15.293 1.00 0.00 N ATOM 37 CA ARG A 12 13.260 -12.921 14.204 1.00 0.00 C ATOM 38 C ARG A 12 12.878 -11.464 13.907 1.00 0.00 C ATOM 39 O ARG A 12 11.772 -11.162 13.455 1.00 0.00 O ATOM 40 CB ARG A 12 12.001 -13.770 14.573 1.00 0.00 C ATOM 41 CG ARG A 12 12.236 -15.307 14.693 1.00 0.00 C ATOM 42 CD ARG A 12 12.889 -15.750 16.020 1.00 0.00 C ATOM 43 NE ARG A 12 13.272 -17.181 16.002 1.00 0.00 N ATOM 44 CZ ARG A 12 13.693 -17.888 17.063 1.00 0.00 C ATOM 45 NH1 ARG A 12 13.736 -17.354 18.277 1.00 0.00 N ATOM 46 NH2 ARG A 12 14.074 -19.146 16.902 1.00 0.00 N ATOM 0 H ARG A 12 13.869 -12.815 16.222 1.00 0.00 H new ATOM 0 HA ARG A 12 13.694 -13.363 13.307 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.605 -13.406 15.521 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.234 -13.596 13.819 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.279 -15.818 14.584 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.867 -15.632 13.865 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.773 -15.141 16.210 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.196 -15.571 16.842 1.00 0.00 H new ATOM 0 HE ARG A 12 13.211 -17.670 15.109 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.445 -16.387 18.419 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.060 -17.911 19.068 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.047 -19.573 15.976 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.395 -19.688 17.704 1.00 0.00 H new ATOM 60 N ASP A 13 13.856 -10.575 14.119 1.00 0.00 N ATOM 61 CA ASP A 13 13.684 -9.120 14.046 1.00 0.00 C ATOM 62 C ASP A 13 14.633 -8.573 12.987 1.00 0.00 C ATOM 63 O ASP A 13 15.744 -8.114 13.282 1.00 0.00 O ATOM 64 CB ASP A 13 13.967 -8.467 15.411 1.00 0.00 C ATOM 65 CG ASP A 13 13.161 -9.084 16.559 1.00 0.00 C ATOM 66 OD1 ASP A 13 13.638 -10.076 17.165 1.00 0.00 O ATOM 67 OD2 ASP A 13 12.053 -8.592 16.866 1.00 0.00 O ATOM 0 H ASP A 13 14.809 -10.854 14.351 1.00 0.00 H new ATOM 0 HA ASP A 13 12.654 -8.887 13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.030 -8.556 15.635 1.00 0.00 H new ATOM 0 HB3 ASP A 13 13.742 -7.402 15.350 1.00 0.00 H new ATOM 72 N TYR A 14 14.186 -8.691 11.754 1.00 0.00 N ATOM 73 CA TYR A 14 14.950 -8.352 10.554 1.00 0.00 C ATOM 74 C TYR A 14 14.944 -6.832 10.341 1.00 0.00 C ATOM 75 O TYR A 14 13.896 -6.239 10.031 1.00 0.00 O ATOM 76 CB TYR A 14 14.348 -9.100 9.339 1.00 0.00 C ATOM 77 CG TYR A 14 14.448 -10.634 9.443 1.00 0.00 C ATOM 78 CD1 TYR A 14 13.525 -11.370 10.190 1.00 0.00 C ATOM 79 CD2 TYR A 14 15.469 -11.340 8.801 1.00 0.00 C ATOM 80 CE1 TYR A 14 13.613 -12.746 10.286 1.00 0.00 C ATOM 81 CE2 TYR A 14 15.558 -12.713 8.894 1.00 0.00 C ATOM 82 CZ TYR A 14 14.630 -13.411 9.636 1.00 0.00 C ATOM 83 OH TYR A 14 14.716 -14.786 9.720 1.00 0.00 O ATOM 0 H TYR A 14 13.250 -9.037 11.544 1.00 0.00 H new ATOM 0 HA TYR A 14 15.988 -8.664 10.671 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.300 -8.820 9.234 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.858 -8.772 8.433 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.727 -10.854 10.703 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.203 -10.800 8.221 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.889 -13.297 10.867 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.353 -13.240 8.387 1.00 0.00 H new ATOM 0 HH TYR A 14 15.489 -15.098 9.204 1.00 0.00 H new ATOM 93 N ILE A 15 16.117 -6.212 10.542 1.00 0.00 N ATOM 94 CA ILE A 15 16.293 -4.754 10.474 1.00 0.00 C ATOM 95 C ILE A 15 17.099 -4.400 9.210 1.00 0.00 C ATOM 96 O ILE A 15 18.160 -4.975 8.964 1.00 0.00 O ATOM 97 CB ILE A 15 17.043 -4.186 11.745 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.414 -4.710 13.074 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.097 -2.632 11.717 1.00 0.00 C ATOM 100 CD1 ILE A 15 14.965 -4.346 13.264 1.00 0.00 C ATOM 0 H ILE A 15 16.978 -6.714 10.758 1.00 0.00 H new ATOM 0 HA ILE A 15 15.303 -4.300 10.441 1.00 0.00 H new ATOM 0 HB ILE A 15 18.068 -4.556 11.709 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.510 -5.795 13.104 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.988 -4.316 13.913 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.618 -2.270 12.603 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.628 -2.302 10.824 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.083 -2.233 11.704 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.610 -4.750 14.212 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.860 -3.261 13.270 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.375 -4.763 12.448 1.00 0.00 H new ATOM 112 N CYS A 16 16.605 -3.418 8.446 1.00 0.00 N ATOM 113 CA CYS A 16 17.240 -2.924 7.214 1.00 0.00 C ATOM 114 C CYS A 16 18.196 -1.778 7.569 1.00 0.00 C ATOM 115 O CYS A 16 18.196 -0.724 6.920 1.00 0.00 O ATOM 116 CB CYS A 16 16.162 -2.448 6.227 1.00 0.00 C ATOM 117 SG CYS A 16 16.780 -2.035 4.572 1.00 0.00 S ATOM 0 H CYS A 16 15.736 -2.934 8.670 1.00 0.00 H new ATOM 0 HA CYS A 16 17.807 -3.725 6.740 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.405 -3.226 6.134 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.668 -1.571 6.645 1.00 0.00 H new ATOM 122 N GLU A 17 19.084 -2.091 8.531 1.00 0.00 N ATOM 123 CA GLU A 17 20.050 -1.171 9.192 1.00 0.00 C ATOM 124 C GLU A 17 19.420 0.083 9.883 1.00 0.00 C ATOM 125 O GLU A 17 19.666 0.343 11.065 1.00 0.00 O ATOM 126 CB GLU A 17 21.170 -0.753 8.179 1.00 0.00 C ATOM 127 CG GLU A 17 22.108 -1.900 7.707 1.00 0.00 C ATOM 128 CD GLU A 17 21.406 -3.025 6.902 1.00 0.00 C ATOM 129 OE1 GLU A 17 21.138 -2.835 5.689 1.00 0.00 O ATOM 130 OE2 GLU A 17 21.089 -4.091 7.486 1.00 0.00 O ATOM 0 H GLU A 17 19.157 -3.042 8.893 1.00 0.00 H new ATOM 0 HA GLU A 17 20.478 -1.743 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.696 -0.311 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.779 0.025 8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.900 -1.473 7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.586 -2.342 8.581 1.00 0.00 H new ATOM 137 N TYR A 18 18.612 0.843 9.135 1.00 0.00 N ATOM 138 CA TYR A 18 18.150 2.188 9.495 1.00 0.00 C ATOM 139 C TYR A 18 16.651 2.308 9.232 1.00 0.00 C ATOM 140 O TYR A 18 15.891 2.804 10.056 1.00 0.00 O ATOM 141 CB TYR A 18 18.921 3.246 8.668 1.00 0.00 C ATOM 142 CG TYR A 18 20.319 3.521 9.200 1.00 0.00 C ATOM 143 CD1 TYR A 18 20.509 3.771 10.557 1.00 0.00 C ATOM 144 CD2 TYR A 18 21.440 3.522 8.372 1.00 0.00 C ATOM 145 CE1 TYR A 18 21.752 4.017 11.064 1.00 0.00 C ATOM 146 CE2 TYR A 18 22.692 3.771 8.880 1.00 0.00 C ATOM 147 CZ TYR A 18 22.846 4.012 10.225 1.00 0.00 C ATOM 148 OH TYR A 18 24.099 4.262 10.733 1.00 0.00 O ATOM 0 H TYR A 18 18.250 0.529 8.234 1.00 0.00 H new ATOM 0 HA TYR A 18 18.338 2.361 10.555 1.00 0.00 H new ATOM 0 HB2 TYR A 18 18.993 2.908 7.634 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.353 4.176 8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.657 3.770 11.220 1.00 0.00 H new ATOM 0 HD2 TYR A 18 21.323 3.324 7.317 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.878 4.215 12.118 1.00 0.00 H new ATOM 0 HE2 TYR A 18 23.551 3.777 8.226 1.00 0.00 H new ATOM 0 HH TYR A 18 24.759 4.220 10.010 1.00 0.00 H new ATOM 158 N CYS A 19 16.251 1.814 8.060 1.00 0.00 N ATOM 159 CA CYS A 19 14.921 2.038 7.476 1.00 0.00 C ATOM 160 C CYS A 19 14.051 0.768 7.547 1.00 0.00 C ATOM 161 O CYS A 19 13.295 0.462 6.620 1.00 0.00 O ATOM 162 CB CYS A 19 15.132 2.552 6.037 1.00 0.00 C ATOM 163 SG CYS A 19 16.516 1.746 5.183 1.00 0.00 S ATOM 0 H CYS A 19 16.853 1.234 7.475 1.00 0.00 H new ATOM 0 HA CYS A 19 14.367 2.785 8.044 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.218 2.393 5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 19 15.308 3.627 6.065 1.00 0.00 H new ATOM 168 N ALA A 20 14.184 0.021 8.657 1.00 0.00 N ATOM 169 CA ALA A 20 13.176 -0.951 9.097 1.00 0.00 C ATOM 170 C ALA A 20 13.081 -0.929 10.617 1.00 0.00 C ATOM 171 O ALA A 20 14.094 -1.127 11.299 1.00 0.00 O ATOM 172 CB ALA A 20 13.491 -2.362 8.619 1.00 0.00 C ATOM 0 H ALA A 20 14.995 0.077 9.273 1.00 0.00 H new ATOM 0 HA ALA A 20 12.222 -0.664 8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.718 -3.046 8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.524 -2.378 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.457 -2.673 9.016 1.00 0.00 H new ATOM 178 N ARG A 21 11.864 -0.668 11.123 1.00 0.00 N ATOM 179 CA ARG A 21 11.591 -0.681 12.567 1.00 0.00 C ATOM 180 C ARG A 21 11.724 -2.119 13.117 1.00 0.00 C ATOM 181 O ARG A 21 12.494 -2.334 14.059 1.00 0.00 O ATOM 182 CB ARG A 21 10.213 -0.023 12.884 1.00 0.00 C ATOM 183 CG ARG A 21 8.972 -0.681 12.239 1.00 0.00 C ATOM 184 CD ARG A 21 7.658 0.061 12.547 1.00 0.00 C ATOM 185 NE ARG A 21 7.442 0.226 14.003 1.00 0.00 N ATOM 186 CZ ARG A 21 6.322 -0.078 14.670 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.288 -0.635 14.051 1.00 0.00 N ATOM 188 NH2 ARG A 21 6.244 0.165 15.964 1.00 0.00 N ATOM 0 H ARG A 21 11.051 -0.445 10.549 1.00 0.00 H new ATOM 0 HA ARG A 21 12.335 -0.073 13.082 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.076 -0.022 13.965 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.251 1.019 12.566 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.112 -0.723 11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.891 -1.710 12.591 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.674 1.041 12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.821 -0.489 12.116 1.00 0.00 H new ATOM 0 HE ARG A 21 8.217 0.606 14.547 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.340 -0.837 13.053 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.442 -0.861 14.574 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.035 0.583 16.453 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.392 -0.065 16.476 1.00 0.00 H new ATOM 202 N ALA A 22 10.974 -3.089 12.540 1.00 0.00 N ATOM 203 CA ALA A 22 11.252 -4.530 12.665 1.00 0.00 C ATOM 204 C ALA A 22 10.319 -5.316 11.739 1.00 0.00 C ATOM 205 O ALA A 22 9.104 -5.098 11.750 1.00 0.00 O ATOM 206 CB ALA A 22 11.073 -5.021 14.114 1.00 0.00 C ATOM 0 H ALA A 22 10.153 -2.885 11.971 1.00 0.00 H new ATOM 0 HA ALA A 22 12.291 -4.696 12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.287 -6.089 14.165 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.758 -4.482 14.768 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.047 -4.841 14.435 1.00 0.00 H new ATOM 212 N PHE A 23 10.892 -6.222 10.938 1.00 0.00 N ATOM 213 CA PHE A 23 10.127 -7.193 10.133 1.00 0.00 C ATOM 214 C PHE A 23 10.347 -8.593 10.715 1.00 0.00 C ATOM 215 O PHE A 23 11.356 -8.841 11.369 1.00 0.00 O ATOM 216 CB PHE A 23 10.557 -7.151 8.648 1.00 0.00 C ATOM 217 CG PHE A 23 10.137 -5.873 7.912 1.00 0.00 C ATOM 218 CD1 PHE A 23 8.856 -5.743 7.376 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.023 -4.816 7.740 1.00 0.00 C ATOM 220 CE1 PHE A 23 8.482 -4.602 6.692 1.00 0.00 C ATOM 221 CE2 PHE A 23 10.646 -3.675 7.055 1.00 0.00 C ATOM 222 CZ PHE A 23 9.380 -3.570 6.529 1.00 0.00 C ATOM 0 H PHE A 23 11.902 -6.306 10.827 1.00 0.00 H new ATOM 0 HA PHE A 23 9.068 -6.936 10.172 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.641 -7.251 8.592 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.130 -8.011 8.133 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.145 -6.547 7.497 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.021 -4.887 8.147 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.485 -4.519 6.285 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.348 -2.864 6.933 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.090 -2.681 5.989 1.00 0.00 H new ATOM 232 N LYS A 24 9.395 -9.502 10.491 1.00 0.00 N ATOM 233 CA LYS A 24 9.477 -10.882 11.015 1.00 0.00 C ATOM 234 C LYS A 24 9.953 -11.886 9.949 1.00 0.00 C ATOM 235 O LYS A 24 10.007 -13.091 10.215 1.00 0.00 O ATOM 236 CB LYS A 24 8.114 -11.294 11.615 1.00 0.00 C ATOM 237 CG LYS A 24 6.916 -11.225 10.642 1.00 0.00 C ATOM 238 CD LYS A 24 5.567 -11.653 11.292 1.00 0.00 C ATOM 239 CE LYS A 24 5.002 -10.636 12.319 1.00 0.00 C ATOM 240 NZ LYS A 24 5.841 -10.466 13.539 1.00 0.00 N ATOM 0 H LYS A 24 8.552 -9.313 9.949 1.00 0.00 H new ATOM 0 HA LYS A 24 10.229 -10.900 11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.195 -12.313 11.993 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.903 -10.652 12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.822 -10.207 10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.117 -11.866 9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.829 -11.804 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.705 -12.614 11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.891 -9.668 11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.005 -10.957 12.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.226 -10.355 14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.445 -11.303 13.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.438 -9.621 13.435 1.00 0.00 H new ATOM 254 N SER A 25 10.334 -11.386 8.758 1.00 0.00 N ATOM 255 CA SER A 25 10.843 -12.216 7.662 1.00 0.00 C ATOM 256 C SER A 25 11.796 -11.382 6.783 1.00 0.00 C ATOM 257 O SER A 25 11.567 -10.185 6.555 1.00 0.00 O ATOM 258 CB SER A 25 9.674 -12.787 6.832 1.00 0.00 C ATOM 259 OG SER A 25 10.119 -13.440 5.655 1.00 0.00 O ATOM 0 H SER A 25 10.295 -10.392 8.534 1.00 0.00 H new ATOM 0 HA SER A 25 11.399 -13.058 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.107 -13.490 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.994 -11.979 6.562 1.00 0.00 H new ATOM 0 HG SER A 25 9.347 -13.787 5.162 1.00 0.00 H new ATOM 265 N SER A 26 12.894 -12.041 6.357 1.00 0.00 N ATOM 266 CA SER A 26 13.896 -11.486 5.428 1.00 0.00 C ATOM 267 C SER A 26 13.247 -10.938 4.139 1.00 0.00 C ATOM 268 O SER A 26 13.660 -9.891 3.620 1.00 0.00 O ATOM 269 CB SER A 26 14.955 -12.564 5.085 1.00 0.00 C ATOM 270 OG SER A 26 15.994 -12.039 4.268 1.00 0.00 O ATOM 0 H SER A 26 13.111 -12.992 6.656 1.00 0.00 H new ATOM 0 HA SER A 26 14.383 -10.648 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 26 15.382 -12.961 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 26 14.474 -13.397 4.572 1.00 0.00 H new ATOM 0 HG SER A 26 16.645 -12.745 4.072 1.00 0.00 H new ATOM 276 N HIS A 27 12.221 -11.652 3.633 1.00 0.00 N ATOM 277 CA HIS A 27 11.489 -11.244 2.417 1.00 0.00 C ATOM 278 C HIS A 27 10.637 -9.985 2.671 1.00 0.00 C ATOM 279 O HIS A 27 10.568 -9.120 1.806 1.00 0.00 O ATOM 280 CB HIS A 27 10.600 -12.390 1.876 1.00 0.00 C ATOM 281 CG HIS A 27 9.786 -12.015 0.658 1.00 0.00 C ATOM 282 ND1 HIS A 27 8.408 -11.995 0.647 1.00 0.00 N ATOM 283 CD2 HIS A 27 10.173 -11.615 -0.577 1.00 0.00 C ATOM 284 CE1 HIS A 27 7.986 -11.598 -0.537 1.00 0.00 C ATOM 285 NE2 HIS A 27 9.034 -11.359 -1.298 1.00 0.00 N ATOM 0 H HIS A 27 11.880 -12.518 4.050 1.00 0.00 H new ATOM 0 HA HIS A 27 12.237 -11.007 1.660 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.234 -13.242 1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.923 -12.715 2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.189 -11.516 -0.929 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.953 -11.487 -0.833 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.004 -11.036 -2.265 1.00 0.00 H new ATOM 294 N ASN A 28 10.006 -9.896 3.856 1.00 0.00 N ATOM 295 CA ASN A 28 9.162 -8.728 4.250 1.00 0.00 C ATOM 296 C ASN A 28 9.968 -7.418 4.177 1.00 0.00 C ATOM 297 O ASN A 28 9.516 -6.410 3.624 1.00 0.00 O ATOM 298 CB ASN A 28 8.617 -8.923 5.694 1.00 0.00 C ATOM 299 CG ASN A 28 7.606 -10.062 5.833 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.559 -10.977 5.015 1.00 0.00 O ATOM 301 ND2 ASN A 28 6.811 -10.029 6.889 1.00 0.00 N ATOM 0 H ASN A 28 10.059 -10.621 4.571 1.00 0.00 H new ATOM 0 HA ASN A 28 8.327 -8.664 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.455 -9.112 6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.149 -7.995 6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.135 -10.777 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.874 -9.255 7.551 1.00 0.00 H new ATOM 308 N LEU A 29 11.168 -7.464 4.762 1.00 0.00 N ATOM 309 CA LEU A 29 12.137 -6.352 4.720 1.00 0.00 C ATOM 310 C LEU A 29 12.598 -6.089 3.272 1.00 0.00 C ATOM 311 O LEU A 29 12.779 -4.932 2.879 1.00 0.00 O ATOM 312 CB LEU A 29 13.316 -6.664 5.714 1.00 0.00 C ATOM 313 CG LEU A 29 14.727 -7.034 5.119 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.566 -5.778 4.801 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.503 -7.986 6.047 1.00 0.00 C ATOM 0 H LEU A 29 11.502 -8.275 5.282 1.00 0.00 H new ATOM 0 HA LEU A 29 11.672 -5.424 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.446 -5.793 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.000 -7.488 6.354 1.00 0.00 H new ATOM 0 HG LEU A 29 14.543 -7.556 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.531 -6.079 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.039 -5.164 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.721 -5.203 5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.471 -8.218 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.653 -7.508 7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.935 -8.907 6.181 1.00 0.00 H new ATOM 327 N ALA A 30 12.772 -7.182 2.498 1.00 0.00 N ATOM 328 CA ALA A 30 13.191 -7.130 1.082 1.00 0.00 C ATOM 329 C ALA A 30 12.127 -6.452 0.182 1.00 0.00 C ATOM 330 O ALA A 30 12.465 -5.879 -0.866 1.00 0.00 O ATOM 331 CB ALA A 30 13.539 -8.532 0.562 1.00 0.00 C ATOM 0 H ALA A 30 12.624 -8.131 2.841 1.00 0.00 H new ATOM 0 HA ALA A 30 14.089 -6.513 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.844 -8.467 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.355 -8.947 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.665 -9.178 0.645 1.00 0.00 H new ATOM 337 N VAL A 31 10.846 -6.545 0.602 1.00 0.00 N ATOM 338 CA VAL A 31 9.711 -5.859 -0.048 1.00 0.00 C ATOM 339 C VAL A 31 9.904 -4.316 -0.004 1.00 0.00 C ATOM 340 O VAL A 31 9.729 -3.629 -1.019 1.00 0.00 O ATOM 341 CB VAL A 31 8.342 -6.306 0.611 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.144 -5.500 0.083 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.086 -7.819 0.395 1.00 0.00 C ATOM 0 H VAL A 31 10.570 -7.104 1.409 1.00 0.00 H new ATOM 0 HA VAL A 31 9.678 -6.150 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 31 8.437 -6.104 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.231 -5.846 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.292 -4.443 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.059 -5.639 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.139 -8.098 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.044 -8.032 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.894 -8.393 0.848 1.00 0.00 H new ATOM 353 N HIS A 32 10.305 -3.795 1.172 1.00 0.00 N ATOM 354 CA HIS A 32 10.675 -2.371 1.338 1.00 0.00 C ATOM 355 C HIS A 32 12.011 -2.072 0.616 1.00 0.00 C ATOM 356 O HIS A 32 12.205 -0.984 0.058 1.00 0.00 O ATOM 357 CB HIS A 32 10.754 -2.002 2.875 1.00 0.00 C ATOM 358 CG HIS A 32 11.887 -1.059 3.232 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.831 0.308 3.096 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.169 -1.350 3.586 1.00 0.00 C ATOM 361 CE1 HIS A 32 13.054 0.793 3.345 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.904 -0.171 3.644 1.00 0.00 N ATOM 0 H HIS A 32 10.382 -4.342 2.029 1.00 0.00 H new ATOM 0 HA HIS A 32 9.905 -1.749 0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.810 -1.548 3.177 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.865 -2.920 3.452 1.00 0.00 H new ATOM 0 HD1 HIS A 32 11.006 0.855 2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.554 -2.339 3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.312 1.841 3.306 1.00 0.00 H new ATOM 370 N ARG A 33 12.924 -3.056 0.667 1.00 0.00 N ATOM 371 CA ARG A 33 14.318 -2.913 0.236 1.00 0.00 C ATOM 372 C ARG A 33 14.453 -2.741 -1.303 1.00 0.00 C ATOM 373 O ARG A 33 15.561 -2.661 -1.794 1.00 0.00 O ATOM 374 CB ARG A 33 15.138 -4.137 0.765 1.00 0.00 C ATOM 375 CG ARG A 33 16.651 -3.902 0.936 1.00 0.00 C ATOM 376 CD ARG A 33 17.411 -5.112 1.488 1.00 0.00 C ATOM 377 NE ARG A 33 18.819 -4.761 1.790 1.00 0.00 N ATOM 378 CZ ARG A 33 19.437 -4.942 2.978 1.00 0.00 C ATOM 379 NH1 ARG A 33 18.814 -5.533 3.982 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.686 -4.543 3.139 1.00 0.00 N ATOM 0 H ARG A 33 12.706 -3.989 1.016 1.00 0.00 H new ATOM 0 HA ARG A 33 14.724 -1.996 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.725 -4.440 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.994 -4.972 0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.077 -3.628 -0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.803 -3.054 1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.920 -5.473 2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.383 -5.926 0.763 1.00 0.00 H new ATOM 0 HE ARG A 33 19.368 -4.347 1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.855 -5.859 3.866 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.292 -5.663 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.183 -4.099 2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.153 -4.679 4.035 1.00 0.00 H new ATOM 394 N MET A 34 13.308 -2.600 -2.029 1.00 0.00 N ATOM 395 CA MET A 34 13.228 -2.294 -3.501 1.00 0.00 C ATOM 396 C MET A 34 14.172 -1.142 -3.983 1.00 0.00 C ATOM 397 O MET A 34 14.404 -0.989 -5.185 1.00 0.00 O ATOM 398 CB MET A 34 11.780 -1.893 -3.858 1.00 0.00 C ATOM 399 CG MET A 34 11.262 -0.652 -3.106 1.00 0.00 C ATOM 400 SD MET A 34 9.709 -0.011 -3.769 1.00 0.00 S ATOM 401 CE MET A 34 10.224 0.715 -5.328 1.00 0.00 C ATOM 0 H MET A 34 12.387 -2.697 -1.602 1.00 0.00 H new ATOM 0 HA MET A 34 13.551 -3.205 -4.005 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.721 -1.704 -4.930 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.120 -2.734 -3.646 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.123 -0.904 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.018 0.132 -3.149 1.00 0.00 H new ATOM 0 HE1 MET A 34 9.415 1.324 -5.731 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.102 1.340 -5.166 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.468 -0.078 -6.035 1.00 0.00 H new ATOM 411 N ILE A 35 14.680 -0.361 -3.028 1.00 0.00 N ATOM 412 CA ILE A 35 15.614 0.726 -3.253 1.00 0.00 C ATOM 413 C ILE A 35 17.063 0.152 -3.292 1.00 0.00 C ATOM 414 O ILE A 35 17.784 0.364 -4.275 1.00 0.00 O ATOM 415 CB ILE A 35 15.406 1.861 -2.149 1.00 0.00 C ATOM 416 CG1 ILE A 35 16.641 2.800 -2.022 1.00 0.00 C ATOM 417 CG2 ILE A 35 15.004 1.277 -0.771 1.00 0.00 C ATOM 418 CD1 ILE A 35 16.941 3.656 -3.244 1.00 0.00 C ATOM 0 H ILE A 35 14.439 -0.478 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 35 15.432 1.203 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 35 14.572 2.469 -2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 35 16.488 3.459 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 35 17.518 2.191 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.875 2.089 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.068 0.726 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 35 15.786 0.604 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.819 4.272 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 35 17.132 3.011 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 35 16.087 4.299 -3.456 1.00 0.00 H new ATOM 430 N HIS A 36 17.470 -0.590 -2.236 1.00 0.00 N ATOM 431 CA HIS A 36 18.870 -1.090 -2.068 1.00 0.00 C ATOM 432 C HIS A 36 19.066 -2.628 -2.299 1.00 0.00 C ATOM 433 O HIS A 36 20.193 -3.106 -2.170 1.00 0.00 O ATOM 434 CB HIS A 36 19.474 -0.633 -0.674 1.00 0.00 C ATOM 435 CG HIS A 36 18.511 -0.017 0.329 1.00 0.00 C ATOM 436 ND1 HIS A 36 18.543 1.305 0.704 1.00 0.00 N ATOM 437 CD2 HIS A 36 17.522 -0.575 1.080 1.00 0.00 C ATOM 438 CE1 HIS A 36 17.611 1.498 1.643 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.956 0.384 1.914 1.00 0.00 N ATOM 0 H HIS A 36 16.847 -0.862 -1.476 1.00 0.00 H new ATOM 0 HA HIS A 36 19.431 -0.621 -2.876 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.940 -1.500 -0.207 1.00 0.00 H new ATOM 0 HB3 HIS A 36 20.267 0.089 -0.869 1.00 0.00 H new ATOM 0 HD1 HIS A 36 19.170 2.017 0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.221 -1.611 1.035 1.00 0.00 H new ATOM 0 HE1 HIS A 36 17.418 2.447 2.121 1.00 0.00 H new ATOM 447 N THR A 37 18.016 -3.397 -2.666 1.00 0.00 N ATOM 448 CA THR A 37 18.064 -4.894 -2.582 1.00 0.00 C ATOM 449 C THR A 37 18.764 -5.568 -3.794 1.00 0.00 C ATOM 450 O THR A 37 19.542 -6.510 -3.612 1.00 0.00 O ATOM 451 CB THR A 37 16.641 -5.517 -2.372 1.00 0.00 C ATOM 452 OG1 THR A 37 16.736 -6.908 -2.046 1.00 0.00 O ATOM 453 CG2 THR A 37 15.715 -5.333 -3.581 1.00 0.00 C ATOM 0 H THR A 37 17.135 -3.024 -3.019 1.00 0.00 H new ATOM 0 HA THR A 37 18.676 -5.102 -1.704 1.00 0.00 H new ATOM 0 HB THR A 37 16.197 -4.972 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.863 -7.428 -2.867 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.747 -5.787 -3.370 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.582 -4.269 -3.779 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.158 -5.812 -4.454 1.00 0.00 H new ATOM 461 N GLY A 38 18.500 -5.079 -5.019 1.00 0.00 N ATOM 462 CA GLY A 38 19.018 -5.689 -6.253 1.00 0.00 C ATOM 463 C GLY A 38 17.973 -6.475 -7.050 1.00 0.00 C ATOM 464 O GLY A 38 18.058 -6.540 -8.282 1.00 0.00 O ATOM 0 H GLY A 38 17.924 -4.253 -5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.429 -4.904 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 38 19.841 -6.356 -5.998 1.00 0.00 H new ATOM 468 N GLU A 39 16.991 -7.076 -6.353 1.00 0.00 N ATOM 469 CA GLU A 39 15.913 -7.858 -6.995 1.00 0.00 C ATOM 470 C GLU A 39 14.782 -6.925 -7.456 1.00 0.00 C ATOM 471 O GLU A 39 14.349 -6.987 -8.606 1.00 0.00 O ATOM 472 CB GLU A 39 15.339 -8.929 -6.029 1.00 0.00 C ATOM 473 CG GLU A 39 16.325 -10.015 -5.541 1.00 0.00 C ATOM 474 CD GLU A 39 17.351 -9.515 -4.510 1.00 0.00 C ATOM 475 OE1 GLU A 39 17.030 -9.477 -3.307 1.00 0.00 O ATOM 476 OE2 GLU A 39 18.481 -9.148 -4.898 1.00 0.00 O ATOM 0 H GLU A 39 16.920 -7.035 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 39 16.342 -8.367 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.934 -8.419 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.504 -9.424 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.757 -10.836 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.858 -10.419 -6.401 1.00 0.00 H new ATOM 483 N LYS A 40 14.326 -6.082 -6.506 1.00 0.00 N ATOM 484 CA LYS A 40 13.272 -5.068 -6.690 1.00 0.00 C ATOM 485 C LYS A 40 11.888 -5.724 -6.946 1.00 0.00 C ATOM 486 O LYS A 40 11.612 -6.163 -8.071 1.00 0.00 O ATOM 487 CB LYS A 40 13.638 -4.047 -7.817 1.00 0.00 C ATOM 488 CG LYS A 40 14.970 -3.282 -7.598 1.00 0.00 C ATOM 489 CD LYS A 40 15.234 -2.219 -8.694 1.00 0.00 C ATOM 490 CE LYS A 40 16.567 -1.467 -8.499 1.00 0.00 C ATOM 491 NZ LYS A 40 16.756 -0.380 -9.498 1.00 0.00 N ATOM 0 H LYS A 40 14.697 -6.091 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 40 13.201 -4.507 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.694 -4.580 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.830 -3.321 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.949 -2.796 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.795 -3.994 -7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.237 -2.705 -9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.415 -1.500 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.599 -1.044 -7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.394 -2.173 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.665 0.095 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.753 -0.785 -10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.983 0.310 -9.411 1.00 0.00 H new ATOM 505 N PRO A 41 11.003 -5.823 -5.893 1.00 0.00 N ATOM 506 CA PRO A 41 9.576 -6.245 -6.064 1.00 0.00 C ATOM 507 C PRO A 41 8.735 -5.163 -6.801 1.00 0.00 C ATOM 508 O PRO A 41 9.255 -4.465 -7.678 1.00 0.00 O ATOM 509 CB PRO A 41 9.118 -6.489 -4.597 1.00 0.00 C ATOM 510 CG PRO A 41 9.970 -5.564 -3.790 1.00 0.00 C ATOM 511 CD PRO A 41 11.325 -5.567 -4.461 1.00 0.00 C ATOM 0 HA PRO A 41 9.449 -7.127 -6.691 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.058 -6.269 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.266 -7.527 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.546 -4.560 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.044 -5.901 -2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.840 -4.616 -4.329 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.974 -6.341 -4.051 1.00 0.00 H new ATOM 519 N LEU A 42 7.430 -5.041 -6.477 1.00 0.00 N ATOM 520 CA LEU A 42 6.509 -4.127 -7.192 1.00 0.00 C ATOM 521 C LEU A 42 5.727 -3.227 -6.216 1.00 0.00 C ATOM 522 O LEU A 42 4.929 -3.722 -5.413 1.00 0.00 O ATOM 523 CB LEU A 42 5.521 -4.965 -8.036 1.00 0.00 C ATOM 524 CG LEU A 42 6.154 -5.829 -9.179 1.00 0.00 C ATOM 525 CD1 LEU A 42 5.099 -6.701 -9.885 1.00 0.00 C ATOM 526 CD2 LEU A 42 6.906 -4.940 -10.198 1.00 0.00 C ATOM 0 H LEU A 42 6.988 -5.566 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 42 7.102 -3.478 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.975 -5.629 -7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.790 -4.289 -8.481 1.00 0.00 H new ATOM 0 HG LEU A 42 6.877 -6.500 -8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.577 -7.285 -10.671 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.640 -7.374 -9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.333 -6.062 -10.323 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.335 -5.566 -10.980 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.210 -4.229 -10.643 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.703 -4.398 -9.689 1.00 0.00 H new ATOM 538 N GLN A 43 5.947 -1.901 -6.317 1.00 0.00 N ATOM 539 CA GLN A 43 5.221 -0.886 -5.538 1.00 0.00 C ATOM 540 C GLN A 43 4.273 -0.113 -6.468 1.00 0.00 C ATOM 541 O GLN A 43 4.604 0.156 -7.632 1.00 0.00 O ATOM 542 CB GLN A 43 6.200 0.125 -4.864 1.00 0.00 C ATOM 543 CG GLN A 43 5.501 1.196 -3.984 1.00 0.00 C ATOM 544 CD GLN A 43 6.416 2.323 -3.489 1.00 0.00 C ATOM 545 OE1 GLN A 43 7.612 2.139 -3.279 1.00 0.00 O ATOM 546 NE2 GLN A 43 5.850 3.506 -3.306 1.00 0.00 N ATOM 0 H GLN A 43 6.642 -1.504 -6.949 1.00 0.00 H new ATOM 0 HA GLN A 43 4.660 -1.399 -4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.909 -0.428 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.776 0.628 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.683 1.636 -4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.057 0.702 -3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.854 3.629 -3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.410 4.295 -2.982 1.00 0.00 H new ATOM 555 N CYS A 44 3.096 0.222 -5.930 1.00 0.00 N ATOM 556 CA CYS A 44 2.129 1.127 -6.544 1.00 0.00 C ATOM 557 C CYS A 44 2.732 2.539 -6.645 1.00 0.00 C ATOM 558 O CYS A 44 2.961 3.204 -5.624 1.00 0.00 O ATOM 559 CB CYS A 44 0.845 1.126 -5.698 1.00 0.00 C ATOM 560 SG CYS A 44 -0.393 2.408 -6.107 1.00 0.00 S ATOM 0 H CYS A 44 2.784 -0.141 -5.029 1.00 0.00 H new ATOM 0 HA CYS A 44 1.885 0.796 -7.553 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.371 0.149 -5.795 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.125 1.242 -4.651 1.00 0.00 H new ATOM 565 N GLU A 45 2.983 2.969 -7.895 1.00 0.00 N ATOM 566 CA GLU A 45 3.676 4.240 -8.237 1.00 0.00 C ATOM 567 C GLU A 45 2.719 5.467 -8.132 1.00 0.00 C ATOM 568 O GLU A 45 2.898 6.490 -8.798 1.00 0.00 O ATOM 569 CB GLU A 45 4.255 4.082 -9.685 1.00 0.00 C ATOM 570 CG GLU A 45 5.258 5.165 -10.162 1.00 0.00 C ATOM 571 CD GLU A 45 6.606 5.141 -9.422 1.00 0.00 C ATOM 572 OE1 GLU A 45 6.723 5.759 -8.338 1.00 0.00 O ATOM 573 OE2 GLU A 45 7.563 4.501 -9.921 1.00 0.00 O ATOM 0 H GLU A 45 2.706 2.436 -8.719 1.00 0.00 H new ATOM 0 HA GLU A 45 4.481 4.431 -7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.747 3.112 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.419 4.062 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.439 5.033 -11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.803 6.147 -10.035 1.00 0.00 H new ATOM 580 N ILE A 46 1.719 5.375 -7.240 1.00 0.00 N ATOM 581 CA ILE A 46 0.640 6.371 -7.088 1.00 0.00 C ATOM 582 C ILE A 46 0.684 6.937 -5.647 1.00 0.00 C ATOM 583 O ILE A 46 0.213 8.041 -5.370 1.00 0.00 O ATOM 584 CB ILE A 46 -0.780 5.707 -7.335 1.00 0.00 C ATOM 585 CG1 ILE A 46 -1.034 5.351 -8.846 1.00 0.00 C ATOM 586 CG2 ILE A 46 -1.936 6.583 -6.784 1.00 0.00 C ATOM 587 CD1 ILE A 46 -0.299 4.139 -9.382 1.00 0.00 C ATOM 0 H ILE A 46 1.634 4.593 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 46 0.788 7.164 -7.821 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.765 4.770 -6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.103 5.192 -8.985 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.759 6.214 -9.452 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.889 6.090 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.808 6.721 -5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.924 7.554 -7.279 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.553 3.994 -10.432 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.776 4.294 -9.287 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.590 3.256 -8.813 1.00 0.00 H new ATOM 599 N CYS A 47 1.401 6.222 -4.772 1.00 0.00 N ATOM 600 CA CYS A 47 1.194 6.278 -3.339 1.00 0.00 C ATOM 601 C CYS A 47 2.309 5.379 -2.785 1.00 0.00 C ATOM 602 O CYS A 47 3.469 5.497 -3.222 1.00 0.00 O ATOM 603 CB CYS A 47 -0.297 5.871 -2.939 1.00 0.00 C ATOM 604 SG CYS A 47 -0.636 4.084 -2.681 1.00 0.00 S ATOM 0 H CYS A 47 2.147 5.585 -5.052 1.00 0.00 H new ATOM 0 HA CYS A 47 1.268 7.277 -2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.558 6.401 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.967 6.233 -3.718 1.00 0.00 H new ATOM 609 N GLY A 48 2.003 4.506 -1.859 1.00 0.00 N ATOM 610 CA GLY A 48 2.922 3.461 -1.418 1.00 0.00 C ATOM 611 C GLY A 48 2.126 2.218 -1.061 1.00 0.00 C ATOM 612 O GLY A 48 1.145 2.355 -0.318 1.00 0.00 O ATOM 0 H GLY A 48 1.103 4.492 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.640 3.234 -2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.493 3.802 -0.555 1.00 0.00 H new ATOM 616 N PHE A 49 2.505 1.017 -1.545 1.00 0.00 N ATOM 617 CA PHE A 49 1.766 -0.231 -1.354 1.00 0.00 C ATOM 618 C PHE A 49 2.595 -1.215 -2.164 1.00 0.00 C ATOM 619 O PHE A 49 2.635 -1.095 -3.389 1.00 0.00 O ATOM 620 CB PHE A 49 0.298 -0.178 -1.884 1.00 0.00 C ATOM 621 CG PHE A 49 -0.487 -1.494 -1.743 1.00 0.00 C ATOM 622 CD1 PHE A 49 -0.369 -2.512 -2.697 1.00 0.00 C ATOM 623 CD2 PHE A 49 -1.336 -1.713 -0.660 1.00 0.00 C ATOM 624 CE1 PHE A 49 -1.079 -3.694 -2.576 1.00 0.00 C ATOM 625 CE2 PHE A 49 -2.047 -2.894 -0.539 1.00 0.00 C ATOM 626 CZ PHE A 49 -1.913 -3.886 -1.492 1.00 0.00 C ATOM 0 H PHE A 49 3.357 0.894 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 49 1.650 -0.483 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.238 0.607 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.316 0.107 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.288 -2.372 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.441 -0.949 0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.981 -4.464 -3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.708 -3.041 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.460 -4.811 -1.389 1.00 0.00 H new ATOM 636 N THR A 50 3.238 -2.181 -1.524 1.00 0.00 N ATOM 637 CA THR A 50 4.262 -2.985 -2.170 1.00 0.00 C ATOM 638 C THR A 50 3.944 -4.461 -1.950 1.00 0.00 C ATOM 639 O THR A 50 3.517 -4.864 -0.855 1.00 0.00 O ATOM 640 CB THR A 50 5.681 -2.644 -1.620 1.00 0.00 C ATOM 641 OG1 THR A 50 5.807 -1.217 -1.468 1.00 0.00 O ATOM 642 CG2 THR A 50 6.794 -3.154 -2.561 1.00 0.00 C ATOM 0 H THR A 50 3.065 -2.427 -0.549 1.00 0.00 H new ATOM 0 HA THR A 50 4.266 -2.763 -3.237 1.00 0.00 H new ATOM 0 HB THR A 50 5.795 -3.141 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.698 -1.002 -1.121 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.768 -2.898 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.716 -4.236 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.684 -2.688 -3.540 1.00 0.00 H new ATOM 650 N CYS A 51 4.160 -5.246 -2.993 1.00 0.00 N ATOM 651 CA CYS A 51 3.805 -6.667 -3.021 1.00 0.00 C ATOM 652 C CYS A 51 4.698 -7.442 -3.999 1.00 0.00 C ATOM 653 O CYS A 51 5.409 -6.852 -4.827 1.00 0.00 O ATOM 654 CB CYS A 51 2.323 -6.799 -3.405 1.00 0.00 C ATOM 655 SG CYS A 51 1.907 -5.968 -4.945 1.00 0.00 S ATOM 0 H CYS A 51 4.591 -4.917 -3.857 1.00 0.00 H new ATOM 0 HA CYS A 51 3.965 -7.098 -2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.071 -7.856 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.710 -6.389 -2.603 1.00 0.00 H new ATOM 0 HG CYS A 51 2.715 -4.967 -5.130 1.00 0.00 H new ATOM 661 N ARG A 52 4.646 -8.776 -3.877 1.00 0.00 N ATOM 662 CA ARG A 52 5.485 -9.703 -4.646 1.00 0.00 C ATOM 663 C ARG A 52 4.813 -10.090 -5.982 1.00 0.00 C ATOM 664 O ARG A 52 5.504 -10.349 -6.970 1.00 0.00 O ATOM 665 CB ARG A 52 5.768 -10.961 -3.774 1.00 0.00 C ATOM 666 CG ARG A 52 4.502 -11.775 -3.391 1.00 0.00 C ATOM 667 CD ARG A 52 4.721 -12.754 -2.225 1.00 0.00 C ATOM 668 NE ARG A 52 5.823 -13.694 -2.461 1.00 0.00 N ATOM 669 CZ ARG A 52 6.026 -14.832 -1.783 1.00 0.00 C ATOM 670 NH1 ARG A 52 5.126 -15.289 -0.916 1.00 0.00 N ATOM 671 NH2 ARG A 52 7.116 -15.523 -2.015 1.00 0.00 N ATOM 0 H ARG A 52 4.011 -9.247 -3.232 1.00 0.00 H new ATOM 0 HA ARG A 52 6.427 -9.215 -4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.456 -11.614 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.274 -10.648 -2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.703 -11.083 -3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.163 -12.334 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.923 -12.187 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.803 -13.316 -2.053 1.00 0.00 H new ATOM 0 HE ARG A 52 6.487 -13.463 -3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.262 -14.771 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.300 -16.158 -0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.793 -15.192 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.287 -16.391 -1.508 1.00 0.00 H new ATOM 685 N GLN A 53 3.462 -10.126 -5.998 1.00 0.00 N ATOM 686 CA GLN A 53 2.664 -10.569 -7.168 1.00 0.00 C ATOM 687 C GLN A 53 2.126 -9.325 -7.915 1.00 0.00 C ATOM 688 O GLN A 53 1.701 -8.354 -7.282 1.00 0.00 O ATOM 689 CB GLN A 53 1.511 -11.522 -6.691 1.00 0.00 C ATOM 690 CG GLN A 53 1.149 -12.678 -7.653 1.00 0.00 C ATOM 691 CD GLN A 53 0.380 -12.254 -8.902 1.00 0.00 C ATOM 692 OE1 GLN A 53 0.969 -11.905 -9.925 1.00 0.00 O ATOM 693 NE2 GLN A 53 -0.943 -12.299 -8.834 1.00 0.00 N ATOM 0 H GLN A 53 2.891 -9.849 -5.199 1.00 0.00 H new ATOM 0 HA GLN A 53 3.285 -11.134 -7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.794 -11.950 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.617 -10.922 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.068 -13.177 -7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.555 -13.412 -7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.400 -12.593 -7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.504 -12.040 -9.645 1.00 0.00 H new ATOM 702 N LYS A 54 2.178 -9.359 -9.265 1.00 0.00 N ATOM 703 CA LYS A 54 1.822 -8.203 -10.112 1.00 0.00 C ATOM 704 C LYS A 54 0.345 -7.786 -9.985 1.00 0.00 C ATOM 705 O LYS A 54 0.042 -6.597 -10.044 1.00 0.00 O ATOM 706 CB LYS A 54 2.260 -8.438 -11.594 1.00 0.00 C ATOM 707 CG LYS A 54 1.716 -9.712 -12.320 1.00 0.00 C ATOM 708 CD LYS A 54 0.277 -9.574 -12.892 1.00 0.00 C ATOM 709 CE LYS A 54 0.127 -8.389 -13.867 1.00 0.00 C ATOM 710 NZ LYS A 54 1.078 -8.455 -15.005 1.00 0.00 N ATOM 0 H LYS A 54 2.466 -10.183 -9.793 1.00 0.00 H new ATOM 0 HA LYS A 54 2.386 -7.350 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.958 -7.566 -12.175 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.349 -8.477 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.393 -9.965 -13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.735 -10.547 -11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.006 -10.496 -13.406 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.425 -9.450 -12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.892 -8.369 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.281 -7.456 -13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.910 -7.653 -15.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.053 -8.412 -14.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.939 -9.346 -15.523 1.00 0.00 H new ATOM 724 N ALA A 55 -0.556 -8.765 -9.822 1.00 0.00 N ATOM 725 CA ALA A 55 -2.013 -8.496 -9.707 1.00 0.00 C ATOM 726 C ALA A 55 -2.384 -7.683 -8.437 1.00 0.00 C ATOM 727 O ALA A 55 -3.190 -6.745 -8.517 1.00 0.00 O ATOM 728 CB ALA A 55 -2.804 -9.804 -9.764 1.00 0.00 C ATOM 0 H ALA A 55 -0.310 -9.753 -9.766 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.285 -7.874 -10.560 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.869 -9.589 -9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.610 -10.305 -10.712 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.497 -10.451 -8.942 1.00 0.00 H new ATOM 734 N SER A 56 -1.781 -8.042 -7.285 1.00 0.00 N ATOM 735 CA SER A 56 -2.137 -7.448 -5.967 1.00 0.00 C ATOM 736 C SER A 56 -2.033 -5.895 -5.940 1.00 0.00 C ATOM 737 O SER A 56 -2.969 -5.224 -5.477 1.00 0.00 O ATOM 738 CB SER A 56 -1.328 -8.113 -4.824 1.00 0.00 C ATOM 739 OG SER A 56 0.013 -8.345 -5.197 1.00 0.00 O ATOM 0 H SER A 56 -1.042 -8.743 -7.235 1.00 0.00 H new ATOM 0 HA SER A 56 -3.192 -7.664 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.354 -7.474 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.797 -9.057 -4.548 1.00 0.00 H new ATOM 0 HG SER A 56 0.486 -7.490 -5.265 1.00 0.00 H new ATOM 745 N LEU A 57 -0.916 -5.314 -6.437 1.00 0.00 N ATOM 746 CA LEU A 57 -0.798 -3.849 -6.568 1.00 0.00 C ATOM 747 C LEU A 57 -1.598 -3.337 -7.775 1.00 0.00 C ATOM 748 O LEU A 57 -2.160 -2.256 -7.696 1.00 0.00 O ATOM 749 CB LEU A 57 0.677 -3.356 -6.671 1.00 0.00 C ATOM 750 CG LEU A 57 1.433 -3.650 -8.014 1.00 0.00 C ATOM 751 CD1 LEU A 57 2.579 -2.649 -8.250 1.00 0.00 C ATOM 752 CD2 LEU A 57 1.953 -5.097 -8.067 1.00 0.00 C ATOM 0 H LEU A 57 -0.095 -5.833 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.214 -3.436 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.687 -2.279 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.243 -3.809 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 57 0.709 -3.526 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.080 -2.884 -9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.175 -1.638 -8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.295 -2.716 -7.431 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.471 -5.263 -9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.643 -5.266 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.114 -5.788 -7.987 1.00 0.00 H new ATOM 764 N ASN A 58 -1.610 -4.106 -8.891 1.00 0.00 N ATOM 765 CA ASN A 58 -2.277 -3.712 -10.160 1.00 0.00 C ATOM 766 C ASN A 58 -3.742 -3.309 -9.967 1.00 0.00 C ATOM 767 O ASN A 58 -4.193 -2.280 -10.494 1.00 0.00 O ATOM 768 CB ASN A 58 -2.161 -4.860 -11.197 1.00 0.00 C ATOM 769 CG ASN A 58 -2.960 -4.647 -12.488 1.00 0.00 C ATOM 770 OD1 ASN A 58 -2.473 -4.030 -13.438 1.00 0.00 O ATOM 771 ND2 ASN A 58 -4.187 -5.158 -12.531 1.00 0.00 N ATOM 0 H ASN A 58 -1.157 -5.019 -8.938 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.760 -2.827 -10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.110 -4.992 -11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.494 -5.787 -10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.757 -5.045 -13.369 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.558 -5.663 -11.726 1.00 0.00 H new ATOM 778 N TRP A 59 -4.464 -4.103 -9.182 1.00 0.00 N ATOM 779 CA TRP A 59 -5.893 -3.880 -8.951 1.00 0.00 C ATOM 780 C TRP A 59 -6.081 -2.799 -7.892 1.00 0.00 C ATOM 781 O TRP A 59 -7.034 -2.028 -7.962 1.00 0.00 O ATOM 782 CB TRP A 59 -6.625 -5.173 -8.565 1.00 0.00 C ATOM 783 CG TRP A 59 -6.687 -6.176 -9.690 1.00 0.00 C ATOM 784 CD1 TRP A 59 -5.928 -7.299 -9.847 1.00 0.00 C ATOM 785 CD2 TRP A 59 -7.555 -6.115 -10.834 1.00 0.00 C ATOM 786 NE1 TRP A 59 -6.297 -7.959 -10.987 1.00 0.00 N ATOM 787 CE2 TRP A 59 -7.287 -7.250 -11.617 1.00 0.00 C ATOM 788 CE3 TRP A 59 -8.538 -5.218 -11.267 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -7.969 -7.521 -12.801 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -9.213 -5.484 -12.447 1.00 0.00 C ATOM 791 CH2 TRP A 59 -8.925 -6.627 -13.201 1.00 0.00 C ATOM 0 H TRP A 59 -4.083 -4.912 -8.691 1.00 0.00 H new ATOM 0 HA TRP A 59 -6.339 -3.541 -9.886 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.124 -5.626 -7.710 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.639 -4.929 -8.248 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.150 -7.620 -9.170 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.899 -8.839 -11.316 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.766 -4.333 -10.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -7.751 -8.405 -13.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.974 -4.798 -12.790 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.468 -6.807 -14.117 1.00 0.00 H new ATOM 802 N HIS A 60 -5.199 -2.779 -6.871 1.00 0.00 N ATOM 803 CA HIS A 60 -5.067 -1.632 -5.954 1.00 0.00 C ATOM 804 C HIS A 60 -4.822 -0.273 -6.697 1.00 0.00 C ATOM 805 O HIS A 60 -5.245 0.779 -6.205 1.00 0.00 O ATOM 806 CB HIS A 60 -3.959 -1.956 -4.903 1.00 0.00 C ATOM 807 CG HIS A 60 -3.460 -0.782 -4.137 1.00 0.00 C ATOM 808 ND1 HIS A 60 -4.110 -0.184 -3.091 1.00 0.00 N ATOM 809 CD2 HIS A 60 -2.384 -0.031 -4.391 1.00 0.00 C ATOM 810 CE1 HIS A 60 -3.417 0.910 -2.772 1.00 0.00 C ATOM 811 NE2 HIS A 60 -2.349 1.061 -3.547 1.00 0.00 N ATOM 0 H HIS A 60 -4.565 -3.550 -6.662 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.016 -1.487 -5.438 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.350 -2.691 -4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.117 -2.421 -5.416 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.964 -0.513 -2.640 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.646 -0.248 -5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.691 1.591 -1.980 1.00 0.00 H new ATOM 819 N MET A 61 -4.109 -0.286 -7.841 1.00 0.00 N ATOM 820 CA MET A 61 -3.919 0.931 -8.679 1.00 0.00 C ATOM 821 C MET A 61 -5.228 1.288 -9.415 1.00 0.00 C ATOM 822 O MET A 61 -5.566 2.468 -9.570 1.00 0.00 O ATOM 823 CB MET A 61 -2.733 0.769 -9.671 1.00 0.00 C ATOM 824 CG MET A 61 -1.370 0.526 -8.992 1.00 0.00 C ATOM 825 SD MET A 61 0.045 0.663 -10.116 1.00 0.00 S ATOM 826 CE MET A 61 -0.278 -0.640 -11.304 1.00 0.00 C ATOM 0 H MET A 61 -3.653 -1.120 -8.211 1.00 0.00 H new ATOM 0 HA MET A 61 -3.664 1.758 -8.017 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.946 -0.064 -10.341 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.665 1.665 -10.288 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.247 1.242 -8.180 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.370 -0.467 -8.544 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.314 -0.468 -12.203 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.007 -1.603 -10.871 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.337 -0.643 -11.562 1.00 0.00 H new ATOM 836 N LYS A 62 -5.949 0.243 -9.862 1.00 0.00 N ATOM 837 CA LYS A 62 -7.313 0.365 -10.433 1.00 0.00 C ATOM 838 C LYS A 62 -8.300 1.003 -9.409 1.00 0.00 C ATOM 839 O LYS A 62 -9.231 1.723 -9.780 1.00 0.00 O ATOM 840 CB LYS A 62 -7.818 -1.049 -10.883 1.00 0.00 C ATOM 841 CG LYS A 62 -9.118 -1.085 -11.741 1.00 0.00 C ATOM 842 CD LYS A 62 -8.856 -1.063 -13.278 1.00 0.00 C ATOM 843 CE LYS A 62 -8.053 0.162 -13.754 1.00 0.00 C ATOM 844 NZ LYS A 62 -7.855 0.180 -15.223 1.00 0.00 N ATOM 0 H LYS A 62 -5.604 -0.717 -9.839 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.272 1.025 -11.299 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.022 -1.530 -11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.982 -1.652 -9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.683 -1.983 -11.491 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.742 -0.231 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.319 -1.969 -13.559 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.812 -1.084 -13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.571 1.072 -13.450 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.081 0.169 -13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.309 1.024 -15.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.337 -0.673 -15.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.780 0.202 -15.698 1.00 0.00 H new ATOM 858 N LYS A 63 -8.071 0.687 -8.129 1.00 0.00 N ATOM 859 CA LYS A 63 -8.789 1.299 -6.984 1.00 0.00 C ATOM 860 C LYS A 63 -8.661 2.841 -6.956 1.00 0.00 C ATOM 861 O LYS A 63 -9.551 3.516 -6.460 1.00 0.00 O ATOM 862 CB LYS A 63 -8.353 0.693 -5.627 1.00 0.00 C ATOM 863 CG LYS A 63 -8.650 -0.809 -5.465 1.00 0.00 C ATOM 864 CD LYS A 63 -10.149 -1.155 -5.614 1.00 0.00 C ATOM 865 CE LYS A 63 -10.404 -2.662 -5.500 1.00 0.00 C ATOM 866 NZ LYS A 63 -9.914 -3.215 -4.212 1.00 0.00 N ATOM 0 H LYS A 63 -7.378 -0.006 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.842 1.060 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.282 0.853 -5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.853 1.236 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.080 -1.367 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.304 -1.137 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.720 -0.632 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.509 -0.798 -6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.472 -2.857 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.912 -3.176 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.254 -4.192 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.874 -3.207 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.271 -2.634 -3.427 1.00 0.00 H new ATOM 880 N HIS A 64 -7.556 3.389 -7.487 1.00 0.00 N ATOM 881 CA HIS A 64 -7.334 4.851 -7.536 1.00 0.00 C ATOM 882 C HIS A 64 -7.906 5.446 -8.835 1.00 0.00 C ATOM 883 O HIS A 64 -8.258 6.634 -8.856 1.00 0.00 O ATOM 884 CB HIS A 64 -5.833 5.206 -7.492 1.00 0.00 C ATOM 885 CG HIS A 64 -5.059 4.734 -6.295 1.00 0.00 C ATOM 886 ND1 HIS A 64 -5.208 5.243 -5.022 1.00 0.00 N ATOM 887 CD2 HIS A 64 -4.006 3.880 -6.235 1.00 0.00 C ATOM 888 CE1 HIS A 64 -4.248 4.706 -4.257 1.00 0.00 C ATOM 889 NE2 HIS A 64 -3.497 3.882 -4.952 1.00 0.00 N ATOM 0 H HIS A 64 -6.796 2.842 -7.891 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.837 5.266 -6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.361 4.796 -8.385 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.739 6.290 -7.551 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.920 5.907 -4.718 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.627 3.293 -7.059 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.110 4.922 -3.208 1.00 0.00 H new ATOM 897 N ASP A 65 -8.023 4.588 -9.888 1.00 0.00 N ATOM 898 CA ASP A 65 -8.188 5.020 -11.304 1.00 0.00 C ATOM 899 C ASP A 65 -9.363 6.002 -11.465 1.00 0.00 C ATOM 900 O ASP A 65 -9.184 7.179 -11.810 1.00 0.00 O ATOM 901 CB ASP A 65 -8.380 3.770 -12.203 1.00 0.00 C ATOM 902 CG ASP A 65 -8.654 4.094 -13.688 1.00 0.00 C ATOM 903 OD1 ASP A 65 -7.690 4.332 -14.445 1.00 0.00 O ATOM 904 OD2 ASP A 65 -9.836 4.105 -14.097 1.00 0.00 O ATOM 0 H ASP A 65 -8.005 3.574 -9.776 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.288 5.551 -11.613 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.487 3.148 -12.137 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.209 3.179 -11.813 1.00 0.00 H new ATOM 909 N ALA A 66 -10.556 5.483 -11.191 1.00 0.00 N ATOM 910 CA ALA A 66 -11.803 6.259 -11.124 1.00 0.00 C ATOM 911 C ALA A 66 -12.292 6.320 -9.660 1.00 0.00 C ATOM 912 O ALA A 66 -13.434 6.708 -9.384 1.00 0.00 O ATOM 913 CB ALA A 66 -12.828 5.628 -12.071 1.00 0.00 C ATOM 0 H ALA A 66 -10.692 4.490 -11.004 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.646 7.288 -11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.758 6.195 -12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.439 5.641 -13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.017 4.598 -11.768 1.00 0.00 H new ATOM 919 N ASP A 67 -11.357 5.982 -8.745 1.00 0.00 N ATOM 920 CA ASP A 67 -11.580 5.826 -7.303 1.00 0.00 C ATOM 921 C ASP A 67 -12.662 4.774 -6.982 1.00 0.00 C ATOM 922 O ASP A 67 -13.798 5.085 -6.623 1.00 0.00 O ATOM 923 CB ASP A 67 -11.831 7.178 -6.605 1.00 0.00 C ATOM 924 CG ASP A 67 -11.864 7.129 -5.069 1.00 0.00 C ATOM 925 OD1 ASP A 67 -11.121 6.316 -4.455 1.00 0.00 O ATOM 926 OD2 ASP A 67 -12.603 7.932 -4.457 1.00 0.00 O ATOM 0 H ASP A 67 -10.388 5.804 -9.009 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.653 5.434 -6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.053 7.877 -6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.780 7.580 -6.960 1.00 0.00 H new ATOM 931 N SER A 68 -12.283 3.516 -7.206 1.00 0.00 N ATOM 932 CA SER A 68 -13.015 2.337 -6.717 1.00 0.00 C ATOM 933 C SER A 68 -12.679 2.052 -5.232 1.00 0.00 C ATOM 934 O SER A 68 -13.317 1.207 -4.593 1.00 0.00 O ATOM 935 CB SER A 68 -12.690 1.121 -7.608 1.00 0.00 C ATOM 936 OG SER A 68 -13.181 1.316 -8.927 1.00 0.00 O ATOM 0 H SER A 68 -11.447 3.279 -7.740 1.00 0.00 H new ATOM 0 HA SER A 68 -14.085 2.535 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.612 0.963 -7.636 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.133 0.222 -7.180 1.00 0.00 H new ATOM 0 HG SER A 68 -12.963 0.534 -9.476 1.00 0.00 H new ATOM 942 N PHE A 69 -11.670 2.767 -4.698 1.00 0.00 N ATOM 943 CA PHE A 69 -11.195 2.611 -3.308 1.00 0.00 C ATOM 944 C PHE A 69 -12.209 3.250 -2.347 1.00 0.00 C ATOM 945 O PHE A 69 -12.491 2.705 -1.270 1.00 0.00 O ATOM 946 CB PHE A 69 -9.791 3.283 -3.151 1.00 0.00 C ATOM 947 CG PHE A 69 -8.892 2.719 -2.036 1.00 0.00 C ATOM 948 CD1 PHE A 69 -9.295 2.729 -0.701 1.00 0.00 C ATOM 949 CD2 PHE A 69 -7.635 2.171 -2.334 1.00 0.00 C ATOM 950 CE1 PHE A 69 -8.484 2.213 0.292 1.00 0.00 C ATOM 951 CE2 PHE A 69 -6.829 1.655 -1.337 1.00 0.00 C ATOM 952 CZ PHE A 69 -7.252 1.678 -0.027 1.00 0.00 C ATOM 0 H PHE A 69 -11.157 3.475 -5.223 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.101 1.552 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.260 3.193 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.938 4.347 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.256 3.147 -0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.292 2.152 -3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.815 2.228 1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.866 1.233 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.620 1.277 0.751 1.00 0.00 H new ATOM 962 N TYR A 70 -12.747 4.419 -2.742 1.00 0.00 N ATOM 963 CA TYR A 70 -13.723 5.164 -1.936 1.00 0.00 C ATOM 964 C TYR A 70 -14.991 5.439 -2.781 1.00 0.00 C ATOM 965 O TYR A 70 -15.845 4.552 -2.915 1.00 0.00 O ATOM 966 CB TYR A 70 -13.117 6.489 -1.387 1.00 0.00 C ATOM 967 CG TYR A 70 -11.848 6.338 -0.527 1.00 0.00 C ATOM 968 CD1 TYR A 70 -11.928 5.971 0.817 1.00 0.00 C ATOM 969 CD2 TYR A 70 -10.573 6.570 -1.063 1.00 0.00 C ATOM 970 CE1 TYR A 70 -10.794 5.842 1.593 1.00 0.00 C ATOM 971 CE2 TYR A 70 -9.439 6.439 -0.287 1.00 0.00 C ATOM 972 CZ TYR A 70 -9.553 6.076 1.037 1.00 0.00 C ATOM 973 OH TYR A 70 -8.424 5.943 1.818 1.00 0.00 O ATOM 0 H TYR A 70 -12.516 4.870 -3.627 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.996 4.557 -1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.886 7.138 -2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.878 6.996 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.896 5.784 1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.477 6.856 -2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.878 5.559 2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.465 6.621 -0.717 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.629 6.141 1.280 1.00 0.00 H new ATOM 983 N GLN A 71 -15.096 6.648 -3.389 1.00 0.00 N ATOM 984 CA GLN A 71 -16.304 7.090 -4.114 1.00 0.00 C ATOM 985 C GLN A 71 -15.983 7.346 -5.599 1.00 0.00 C ATOM 986 O GLN A 71 -16.213 6.465 -6.434 1.00 0.00 O ATOM 987 CB GLN A 71 -16.912 8.359 -3.466 1.00 0.00 C ATOM 988 CG GLN A 71 -17.279 8.221 -1.980 1.00 0.00 C ATOM 989 CD GLN A 71 -17.890 9.506 -1.407 1.00 0.00 C ATOM 990 OE1 GLN A 71 -17.182 10.358 -0.874 1.00 0.00 O ATOM 991 NE2 GLN A 71 -19.203 9.670 -1.542 1.00 0.00 N ATOM 0 H GLN A 71 -14.345 7.338 -3.388 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.043 6.291 -4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.202 9.179 -3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -17.808 8.638 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.986 7.400 -1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.387 7.961 -1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -19.764 8.945 -1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -19.649 10.521 -1.199 1.00 0.00 H new ATOM 1000 N PHE A 72 -15.440 8.555 -5.917 1.00 0.00 N ATOM 1001 CA PHE A 72 -15.119 8.986 -7.286 1.00 0.00 C ATOM 1002 C PHE A 72 -14.006 10.044 -7.170 1.00 0.00 C ATOM 1003 O PHE A 72 -14.133 11.007 -6.416 1.00 0.00 O ATOM 1004 CB PHE A 72 -16.349 9.634 -8.009 1.00 0.00 C ATOM 1005 CG PHE A 72 -17.626 8.789 -8.019 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -17.788 7.752 -8.930 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -18.650 9.012 -7.095 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -18.929 6.966 -8.930 1.00 0.00 C ATOM 1009 CE2 PHE A 72 -19.788 8.225 -7.094 1.00 0.00 C ATOM 1010 CZ PHE A 72 -19.927 7.202 -8.016 1.00 0.00 C ATOM 0 H PHE A 72 -15.215 9.258 -5.213 1.00 0.00 H new ATOM 0 HA PHE A 72 -14.817 8.118 -7.872 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -16.569 10.588 -7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.070 9.852 -9.040 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.009 7.555 -9.652 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.552 9.809 -6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -19.034 6.167 -9.649 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -20.570 8.409 -6.372 1.00 0.00 H new ATOM 0 HZ PHE A 72 -20.818 6.591 -8.017 1.00 0.00 H new ATOM 1020 N SER A 73 -12.945 9.846 -7.933 1.00 0.00 N ATOM 1021 CA SER A 73 -11.783 10.752 -8.038 1.00 0.00 C ATOM 1022 C SER A 73 -11.056 10.453 -9.342 1.00 0.00 C ATOM 1023 O SER A 73 -11.274 9.413 -9.961 1.00 0.00 O ATOM 1024 CB SER A 73 -10.790 10.551 -6.860 1.00 0.00 C ATOM 1025 OG SER A 73 -11.423 10.670 -5.608 1.00 0.00 O ATOM 0 H SER A 73 -12.853 9.021 -8.525 1.00 0.00 H new ATOM 0 HA SER A 73 -12.144 11.780 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.328 9.567 -6.940 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.989 11.287 -6.932 1.00 0.00 H new ATOM 0 HG SER A 73 -11.757 9.793 -5.326 1.00 0.00 H new ATOM 1031 N CYS A 74 -10.175 11.364 -9.737 1.00 0.00 N ATOM 1032 CA CYS A 74 -9.198 11.120 -10.802 1.00 0.00 C ATOM 1033 C CYS A 74 -7.890 10.676 -10.149 1.00 0.00 C ATOM 1034 O CYS A 74 -7.397 11.373 -9.265 1.00 0.00 O ATOM 1035 CB CYS A 74 -8.991 12.390 -11.645 1.00 0.00 C ATOM 1036 SG CYS A 74 -7.668 12.241 -12.887 1.00 0.00 S ATOM 0 H CYS A 74 -10.114 12.297 -9.329 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.558 10.341 -11.475 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.925 12.635 -12.151 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.760 13.222 -10.980 1.00 0.00 H new ATOM 1041 N ASN A 75 -7.360 9.504 -10.547 1.00 0.00 N ATOM 1042 CA ASN A 75 -6.061 9.002 -10.044 1.00 0.00 C ATOM 1043 C ASN A 75 -4.937 10.035 -10.241 1.00 0.00 C ATOM 1044 O ASN A 75 -4.081 10.224 -9.373 1.00 0.00 O ATOM 1045 CB ASN A 75 -5.673 7.691 -10.778 1.00 0.00 C ATOM 1046 CG ASN A 75 -4.324 7.104 -10.325 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -3.945 7.218 -9.165 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -3.567 6.510 -11.240 1.00 0.00 N ATOM 0 H ASN A 75 -7.811 8.883 -11.218 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.178 8.814 -8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.455 6.949 -10.616 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.634 7.883 -11.850 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.652 6.139 -10.983 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.900 6.425 -12.200 1.00 0.00 H new ATOM 1055 N ILE A 76 -4.976 10.713 -11.389 1.00 0.00 N ATOM 1056 CA ILE A 76 -3.849 11.499 -11.865 1.00 0.00 C ATOM 1057 C ILE A 76 -3.866 12.926 -11.277 1.00 0.00 C ATOM 1058 O ILE A 76 -2.842 13.371 -10.758 1.00 0.00 O ATOM 1059 CB ILE A 76 -3.800 11.509 -13.443 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -3.870 10.030 -13.994 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -2.542 12.248 -13.966 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -3.441 9.824 -15.440 1.00 0.00 C ATOM 0 H ILE A 76 -5.787 10.730 -12.008 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.933 11.025 -11.512 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.667 12.057 -13.812 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.247 9.400 -13.360 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.895 9.674 -13.888 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.540 12.236 -15.056 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.554 13.280 -13.614 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.647 11.749 -13.596 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.533 8.770 -15.700 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.078 10.417 -16.096 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.404 10.138 -15.560 1.00 0.00 H new ATOM 1074 N CYS A 77 -5.022 13.642 -11.300 1.00 0.00 N ATOM 1075 CA CYS A 77 -5.054 15.055 -10.840 1.00 0.00 C ATOM 1076 C CYS A 77 -6.141 15.310 -9.776 1.00 0.00 C ATOM 1077 O CYS A 77 -6.309 16.452 -9.345 1.00 0.00 O ATOM 1078 CB CYS A 77 -5.204 16.024 -12.043 1.00 0.00 C ATOM 1079 SG CYS A 77 -6.827 15.983 -12.869 1.00 0.00 S ATOM 0 H CYS A 77 -5.918 13.277 -11.622 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.098 15.252 -10.356 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.015 17.040 -11.697 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.434 15.789 -12.777 1.00 0.00 H new ATOM 1084 N GLY A 78 -6.863 14.238 -9.348 1.00 0.00 N ATOM 1085 CA GLY A 78 -7.850 14.315 -8.251 1.00 0.00 C ATOM 1086 C GLY A 78 -8.895 15.403 -8.411 1.00 0.00 C ATOM 1087 O GLY A 78 -9.278 16.043 -7.430 1.00 0.00 O ATOM 0 H GLY A 78 -6.773 13.307 -9.754 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.357 13.353 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.318 14.476 -7.313 1.00 0.00 H new ATOM 1091 N LYS A 79 -9.345 15.615 -9.660 1.00 0.00 N ATOM 1092 CA LYS A 79 -10.297 16.690 -9.995 1.00 0.00 C ATOM 1093 C LYS A 79 -11.661 16.473 -9.291 1.00 0.00 C ATOM 1094 O LYS A 79 -12.328 17.451 -8.949 1.00 0.00 O ATOM 1095 CB LYS A 79 -10.456 16.758 -11.545 1.00 0.00 C ATOM 1096 CG LYS A 79 -10.619 18.181 -12.142 1.00 0.00 C ATOM 1097 CD LYS A 79 -11.842 18.994 -11.623 1.00 0.00 C ATOM 1098 CE LYS A 79 -13.212 18.414 -12.043 1.00 0.00 C ATOM 1099 NZ LYS A 79 -13.462 18.576 -13.493 1.00 0.00 N ATOM 0 H LYS A 79 -9.062 15.051 -10.461 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.909 17.643 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.584 16.290 -12.002 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.324 16.163 -11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.713 18.749 -11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.697 18.094 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.798 19.041 -10.535 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.766 20.018 -11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.252 17.356 -11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.003 18.910 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.280 19.203 -13.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.623 18.992 -13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.659 17.647 -13.917 1.00 0.00 H new ATOM 1113 N LYS A 80 -12.025 15.184 -9.055 1.00 0.00 N ATOM 1114 CA LYS A 80 -13.278 14.764 -8.397 1.00 0.00 C ATOM 1115 C LYS A 80 -14.452 14.926 -9.374 1.00 0.00 C ATOM 1116 O LYS A 80 -14.670 16.009 -9.923 1.00 0.00 O ATOM 1117 CB LYS A 80 -13.545 15.519 -7.051 1.00 0.00 C ATOM 1118 CG LYS A 80 -12.380 15.464 -6.026 1.00 0.00 C ATOM 1119 CD LYS A 80 -12.126 14.052 -5.459 1.00 0.00 C ATOM 1120 CE LYS A 80 -13.290 13.564 -4.590 1.00 0.00 C ATOM 1121 NZ LYS A 80 -13.047 12.212 -4.051 1.00 0.00 N ATOM 0 H LYS A 80 -11.437 14.395 -9.326 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.174 13.713 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.763 16.563 -7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.437 15.099 -6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.469 15.824 -6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.599 16.144 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.970 13.354 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.210 14.058 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.444 14.261 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.206 13.560 -5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.919 11.851 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.758 11.577 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.293 12.254 -3.336 1.00 0.00 H new ATOM 1135 N PHE A 81 -15.163 13.819 -9.630 1.00 0.00 N ATOM 1136 CA PHE A 81 -16.294 13.773 -10.596 1.00 0.00 C ATOM 1137 C PHE A 81 -17.539 13.106 -9.984 1.00 0.00 C ATOM 1138 O PHE A 81 -17.455 12.423 -8.961 1.00 0.00 O ATOM 1139 CB PHE A 81 -15.863 13.024 -11.883 1.00 0.00 C ATOM 1140 CG PHE A 81 -14.745 13.730 -12.649 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -15.041 14.696 -13.610 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -13.403 13.460 -12.380 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -14.036 15.359 -14.281 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -12.404 14.122 -13.055 1.00 0.00 C ATOM 1145 CZ PHE A 81 -12.723 15.074 -14.001 1.00 0.00 C ATOM 0 H PHE A 81 -14.978 12.924 -9.178 1.00 0.00 H new ATOM 0 HA PHE A 81 -16.560 14.800 -10.847 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -15.533 12.020 -11.617 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -16.728 12.913 -12.537 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -16.072 14.928 -13.832 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -13.146 12.723 -11.634 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -14.281 16.102 -15.026 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -11.369 13.896 -12.844 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.936 15.597 -14.524 1.00 0.00 H new ATOM 1155 N GLU A 82 -18.693 13.336 -10.633 1.00 0.00 N ATOM 1156 CA GLU A 82 -19.988 12.748 -10.259 1.00 0.00 C ATOM 1157 C GLU A 82 -19.976 11.215 -10.377 1.00 0.00 C ATOM 1158 O GLU A 82 -20.458 10.505 -9.483 1.00 0.00 O ATOM 1159 CB GLU A 82 -21.091 13.346 -11.181 1.00 0.00 C ATOM 1160 CG GLU A 82 -22.533 12.904 -10.877 1.00 0.00 C ATOM 1161 CD GLU A 82 -23.003 13.303 -9.466 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -23.308 14.497 -9.245 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -23.058 12.431 -8.574 1.00 0.00 O ATOM 0 H GLU A 82 -18.752 13.947 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.191 12.989 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.043 14.433 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.859 13.079 -12.212 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.204 13.343 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.605 11.822 -10.985 1.00 0.00 H new ATOM 1170 N LYS A 83 -19.411 10.716 -11.486 1.00 0.00 N ATOM 1171 CA LYS A 83 -19.428 9.294 -11.827 1.00 0.00 C ATOM 1172 C LYS A 83 -18.081 8.892 -12.435 1.00 0.00 C ATOM 1173 O LYS A 83 -17.349 9.738 -12.964 1.00 0.00 O ATOM 1174 CB LYS A 83 -20.619 9.009 -12.789 1.00 0.00 C ATOM 1175 CG LYS A 83 -20.565 9.769 -14.143 1.00 0.00 C ATOM 1176 CD LYS A 83 -21.963 10.155 -14.694 1.00 0.00 C ATOM 1177 CE LYS A 83 -22.900 8.951 -14.929 1.00 0.00 C ATOM 1178 NZ LYS A 83 -22.383 8.035 -15.970 1.00 0.00 N ATOM 0 H LYS A 83 -18.928 11.295 -12.173 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.573 8.690 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -20.655 7.939 -12.991 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -21.548 9.269 -12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -19.970 10.674 -14.019 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -20.052 9.149 -14.878 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -22.440 10.843 -13.996 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -21.836 10.692 -15.634 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -23.026 8.403 -13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -23.886 9.312 -15.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -23.176 7.523 -16.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -21.882 8.584 -16.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -21.727 7.353 -15.538 1.00 0.00 H new ATOM 1192 N LYS A 84 -17.771 7.597 -12.338 1.00 0.00 N ATOM 1193 CA LYS A 84 -16.523 7.011 -12.853 1.00 0.00 C ATOM 1194 C LYS A 84 -16.402 7.201 -14.368 1.00 0.00 C ATOM 1195 O LYS A 84 -15.302 7.333 -14.891 1.00 0.00 O ATOM 1196 CB LYS A 84 -16.437 5.512 -12.487 1.00 0.00 C ATOM 1197 CG LYS A 84 -16.364 5.247 -10.969 1.00 0.00 C ATOM 1198 CD LYS A 84 -16.200 3.757 -10.616 1.00 0.00 C ATOM 1199 CE LYS A 84 -16.141 3.519 -9.096 1.00 0.00 C ATOM 1200 NZ LYS A 84 -16.015 2.081 -8.761 1.00 0.00 N ATOM 0 H LYS A 84 -18.385 6.914 -11.894 1.00 0.00 H new ATOM 0 HA LYS A 84 -15.690 7.534 -12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.307 4.997 -12.895 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.558 5.080 -12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.528 5.806 -10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.270 5.627 -10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.032 3.192 -11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.289 3.375 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.295 4.064 -8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.041 3.921 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.361 1.918 -7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.579 1.518 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.017 1.796 -8.824 1.00 0.00 H new ATOM 1214 N ASP A 85 -17.556 7.213 -15.050 1.00 0.00 N ATOM 1215 CA ASP A 85 -17.646 7.500 -16.494 1.00 0.00 C ATOM 1216 C ASP A 85 -17.026 8.856 -16.841 1.00 0.00 C ATOM 1217 O ASP A 85 -16.287 8.973 -17.822 1.00 0.00 O ATOM 1218 CB ASP A 85 -19.119 7.458 -16.954 1.00 0.00 C ATOM 1219 CG ASP A 85 -19.785 6.105 -16.677 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -20.336 5.925 -15.565 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -19.745 5.218 -17.555 1.00 0.00 O ATOM 0 H ASP A 85 -18.459 7.023 -14.616 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.081 6.731 -17.020 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.677 8.244 -16.446 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.169 7.671 -18.022 1.00 0.00 H new ATOM 1226 N SER A 86 -17.314 9.874 -16.009 1.00 0.00 N ATOM 1227 CA SER A 86 -16.751 11.215 -16.165 1.00 0.00 C ATOM 1228 C SER A 86 -15.218 11.209 -15.969 1.00 0.00 C ATOM 1229 O SER A 86 -14.512 11.993 -16.599 1.00 0.00 O ATOM 1230 CB SER A 86 -17.424 12.179 -15.167 1.00 0.00 C ATOM 1231 OG SER A 86 -18.833 12.212 -15.342 1.00 0.00 O ATOM 0 H SER A 86 -17.944 9.783 -15.212 1.00 0.00 H new ATOM 0 HA SER A 86 -16.948 11.556 -17.181 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.190 11.870 -14.148 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.017 13.182 -15.298 1.00 0.00 H new ATOM 0 HG SER A 86 -19.229 12.831 -14.693 1.00 0.00 H new ATOM 1237 N VAL A 87 -14.718 10.303 -15.110 1.00 0.00 N ATOM 1238 CA VAL A 87 -13.285 10.229 -14.766 1.00 0.00 C ATOM 1239 C VAL A 87 -12.489 9.590 -15.914 1.00 0.00 C ATOM 1240 O VAL A 87 -11.439 10.089 -16.315 1.00 0.00 O ATOM 1241 CB VAL A 87 -13.025 9.396 -13.456 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -11.532 9.441 -13.080 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -13.908 9.864 -12.272 1.00 0.00 C ATOM 0 H VAL A 87 -15.291 9.605 -14.637 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.955 11.254 -14.596 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.306 8.364 -13.667 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.368 8.861 -12.172 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.939 9.020 -13.892 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -11.231 10.475 -12.909 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.690 9.257 -11.393 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.697 10.910 -12.052 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -14.960 9.754 -12.537 1.00 0.00 H new ATOM 1253 N VAL A 88 -13.041 8.480 -16.418 1.00 0.00 N ATOM 1254 CA VAL A 88 -12.411 7.618 -17.438 1.00 0.00 C ATOM 1255 C VAL A 88 -12.407 8.351 -18.782 1.00 0.00 C ATOM 1256 O VAL A 88 -11.422 8.301 -19.534 1.00 0.00 O ATOM 1257 CB VAL A 88 -13.158 6.226 -17.552 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -12.606 5.359 -18.718 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -13.079 5.443 -16.212 1.00 0.00 C ATOM 0 H VAL A 88 -13.958 8.144 -16.125 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.384 7.407 -17.141 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.203 6.444 -17.771 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -13.148 4.414 -18.757 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.736 5.891 -19.660 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.546 5.163 -18.555 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.599 4.491 -16.316 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.035 5.260 -15.958 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.548 6.028 -15.421 1.00 0.00 H new ATOM 1269 N ALA A 89 -13.514 9.080 -19.031 1.00 0.00 N ATOM 1270 CA ALA A 89 -13.666 9.924 -20.219 1.00 0.00 C ATOM 1271 C ALA A 89 -12.664 11.082 -20.158 1.00 0.00 C ATOM 1272 O ALA A 89 -12.030 11.429 -21.154 1.00 0.00 O ATOM 1273 CB ALA A 89 -15.103 10.455 -20.337 1.00 0.00 C ATOM 0 H ALA A 89 -14.323 9.096 -18.411 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.463 9.323 -21.105 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -15.189 11.078 -21.227 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.796 9.617 -20.413 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.346 11.047 -19.455 1.00 0.00 H new ATOM 1279 N HIS A 90 -12.509 11.647 -18.946 1.00 0.00 N ATOM 1280 CA HIS A 90 -11.587 12.771 -18.689 1.00 0.00 C ATOM 1281 C HIS A 90 -10.114 12.335 -18.773 1.00 0.00 C ATOM 1282 O HIS A 90 -9.277 13.093 -19.220 1.00 0.00 O ATOM 1283 CB HIS A 90 -11.911 13.408 -17.302 1.00 0.00 C ATOM 1284 CG HIS A 90 -10.759 14.053 -16.578 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -10.332 15.340 -16.776 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -9.960 13.541 -15.608 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -9.320 15.563 -15.940 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -9.055 14.502 -15.210 1.00 0.00 N ATOM 0 H HIS A 90 -13.018 11.338 -18.118 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.735 13.521 -19.467 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.689 14.158 -17.444 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.328 12.633 -16.659 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -10.720 16.007 -17.443 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.023 12.539 -15.210 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -8.784 16.498 -15.870 1.00 0.00 H new ATOM 1296 N LYS A 91 -9.808 11.129 -18.297 1.00 0.00 N ATOM 1297 CA LYS A 91 -8.428 10.629 -18.179 1.00 0.00 C ATOM 1298 C LYS A 91 -7.874 10.296 -19.574 1.00 0.00 C ATOM 1299 O LYS A 91 -6.709 10.576 -19.885 1.00 0.00 O ATOM 1300 CB LYS A 91 -8.388 9.407 -17.220 1.00 0.00 C ATOM 1301 CG LYS A 91 -7.002 8.746 -17.067 1.00 0.00 C ATOM 1302 CD LYS A 91 -6.984 7.588 -16.036 1.00 0.00 C ATOM 1303 CE LYS A 91 -5.753 6.677 -16.189 1.00 0.00 C ATOM 1304 NZ LYS A 91 -5.734 6.000 -17.508 1.00 0.00 N ATOM 0 H LYS A 91 -10.511 10.462 -17.979 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.788 11.399 -17.749 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.734 9.724 -16.236 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.094 8.658 -17.580 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.680 8.365 -18.036 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.278 9.503 -16.765 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.001 8.004 -15.028 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.889 6.991 -16.150 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.845 7.269 -16.070 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.752 5.929 -15.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.129 5.156 -17.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.701 5.717 -17.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.359 6.651 -18.227 1.00 0.00 H new ATOM 1318 N ALA A 92 -8.755 9.736 -20.417 1.00 0.00 N ATOM 1319 CA ALA A 92 -8.442 9.383 -21.805 1.00 0.00 C ATOM 1320 C ALA A 92 -8.179 10.635 -22.676 1.00 0.00 C ATOM 1321 O ALA A 92 -7.510 10.544 -23.710 1.00 0.00 O ATOM 1322 CB ALA A 92 -9.587 8.544 -22.388 1.00 0.00 C ATOM 0 H ALA A 92 -9.714 9.514 -20.149 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.523 8.797 -21.810 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.356 8.281 -23.420 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.708 7.634 -21.800 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.512 9.120 -22.359 1.00 0.00 H new ATOM 1328 N LYS A 93 -8.714 11.803 -22.249 1.00 0.00 N ATOM 1329 CA LYS A 93 -8.598 13.069 -23.026 1.00 0.00 C ATOM 1330 C LYS A 93 -7.529 14.017 -22.441 1.00 0.00 C ATOM 1331 O LYS A 93 -6.658 14.510 -23.162 1.00 0.00 O ATOM 1332 CB LYS A 93 -9.981 13.772 -23.086 1.00 0.00 C ATOM 1333 CG LYS A 93 -11.067 12.928 -23.790 1.00 0.00 C ATOM 1334 CD LYS A 93 -12.459 13.594 -23.792 1.00 0.00 C ATOM 1335 CE LYS A 93 -13.537 12.683 -24.413 1.00 0.00 C ATOM 1336 NZ LYS A 93 -14.879 13.312 -24.412 1.00 0.00 N ATOM 0 H LYS A 93 -9.229 11.899 -21.374 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.274 12.815 -24.035 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -10.309 14.000 -22.072 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.875 14.723 -23.608 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -10.761 12.742 -24.819 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -11.138 11.958 -23.298 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.742 13.845 -22.770 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.412 14.530 -24.348 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.255 12.437 -25.437 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -13.578 11.745 -23.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -15.568 12.661 -24.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -15.163 13.523 -23.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.849 14.194 -24.962 1.00 0.00 H new ATOM 1350 N SER A 94 -7.599 14.239 -21.123 1.00 0.00 N ATOM 1351 CA SER A 94 -6.803 15.250 -20.411 1.00 0.00 C ATOM 1352 C SER A 94 -5.448 14.684 -19.952 1.00 0.00 C ATOM 1353 O SER A 94 -4.601 15.428 -19.452 1.00 0.00 O ATOM 1354 CB SER A 94 -7.604 15.786 -19.196 1.00 0.00 C ATOM 1355 OG SER A 94 -6.950 16.873 -18.551 1.00 0.00 O ATOM 0 H SER A 94 -8.221 13.713 -20.509 1.00 0.00 H new ATOM 0 HA SER A 94 -6.599 16.069 -21.101 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.592 16.105 -19.528 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.754 14.979 -18.479 1.00 0.00 H new ATOM 0 HG SER A 94 -5.979 16.747 -18.601 1.00 0.00 H new ATOM 1361 N HIS A 95 -5.242 13.362 -20.122 1.00 0.00 N ATOM 1362 CA HIS A 95 -3.980 12.693 -19.742 1.00 0.00 C ATOM 1363 C HIS A 95 -3.555 11.690 -20.841 1.00 0.00 C ATOM 1364 O HIS A 95 -3.617 10.469 -20.631 1.00 0.00 O ATOM 1365 CB HIS A 95 -4.112 11.982 -18.363 1.00 0.00 C ATOM 1366 CG HIS A 95 -4.607 12.850 -17.229 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -4.022 14.039 -16.843 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -5.655 12.664 -16.386 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -4.711 14.521 -15.804 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -5.715 13.722 -15.489 1.00 0.00 N ATOM 0 H HIS A 95 -5.938 12.733 -20.522 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.205 13.454 -19.647 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.791 11.136 -18.473 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.139 11.576 -18.088 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -3.207 14.474 -17.275 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.335 11.825 -16.410 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.478 15.442 -15.290 1.00 0.00 H new ATOM 1378 N PRO A 96 -3.176 12.182 -22.071 1.00 0.00 N ATOM 1379 CA PRO A 96 -2.535 11.326 -23.092 1.00 0.00 C ATOM 1380 C PRO A 96 -1.089 10.967 -22.674 1.00 0.00 C ATOM 1381 O PRO A 96 -0.613 9.854 -22.909 1.00 0.00 O ATOM 1382 CB PRO A 96 -2.584 12.197 -24.379 1.00 0.00 C ATOM 1383 CG PRO A 96 -2.621 13.612 -23.882 1.00 0.00 C ATOM 1384 CD PRO A 96 -3.384 13.571 -22.575 1.00 0.00 C ATOM 0 HA PRO A 96 -3.032 10.366 -23.233 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.712 12.022 -25.009 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.463 11.966 -24.980 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.614 14.001 -23.734 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.113 14.266 -24.602 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.005 14.311 -21.870 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.442 13.786 -22.725 1.00 0.00 H new ATOM 1392 N GLU A 97 -0.404 11.947 -22.052 1.00 0.00 N ATOM 1393 CA GLU A 97 0.922 11.810 -21.475 1.00 0.00 C ATOM 1394 C GLU A 97 0.855 12.401 -20.062 1.00 0.00 C ATOM 1395 O GLU A 97 0.813 13.626 -19.899 1.00 0.00 O ATOM 1396 CB GLU A 97 1.985 12.549 -22.337 1.00 0.00 C ATOM 1397 CG GLU A 97 1.966 12.178 -23.833 1.00 0.00 C ATOM 1398 CD GLU A 97 3.016 12.931 -24.662 1.00 0.00 C ATOM 1399 OE1 GLU A 97 3.023 14.182 -24.625 1.00 0.00 O ATOM 1400 OE2 GLU A 97 3.839 12.288 -25.357 1.00 0.00 O ATOM 0 H GLU A 97 -0.785 12.886 -21.940 1.00 0.00 H new ATOM 0 HA GLU A 97 1.222 10.762 -21.442 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.829 13.623 -22.240 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.975 12.333 -21.935 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.133 11.106 -23.936 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.976 12.386 -24.239 1.00 0.00 H new ATOM 1407 N VAL A 98 0.732 11.508 -19.072 1.00 0.00 N ATOM 1408 CA VAL A 98 0.696 11.858 -17.633 1.00 0.00 C ATOM 1409 C VAL A 98 1.947 12.699 -17.204 1.00 0.00 C ATOM 1410 O VAL A 98 3.095 12.207 -17.338 1.00 0.00 O ATOM 1411 CB VAL A 98 0.502 10.566 -16.723 1.00 0.00 C ATOM 1412 CG1 VAL A 98 1.486 9.428 -17.094 1.00 0.00 C ATOM 1413 CG2 VAL A 98 0.609 10.918 -15.216 1.00 0.00 C ATOM 1414 OXT VAL A 98 1.776 13.861 -16.759 1.00 0.00 O ATOM 0 H VAL A 98 0.653 10.506 -19.243 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.175 12.494 -17.476 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.504 10.196 -16.919 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.312 8.570 -16.444 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.328 9.135 -18.132 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.511 9.777 -16.967 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.472 10.015 -14.621 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.592 11.343 -15.010 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.162 11.644 -14.956 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 15.995 -0.009 3.739 1.00 0.00 ZN HETATM 1426 ZN ZN A 103 -7.303 14.132 -14.205 1.00 0.00 ZN HETATM 1427 ZN ZN A 102 -1.802 2.883 -4.305 1.00 0.00 ZN