USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 21 THR OG1 : rot 180:sc= 0.39 USER MOD Set 1.2: A 24 THR OG1 : rot -118:sc= 0.187 USER MOD Set 2.1: A 17 SER OG : rot -120:sc= -0.55 USER MOD Set 2.2: A 48 THR OG1 : rot -167:sc= 0.0116 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.829 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 27 SER OG : rot 66:sc= 1.22 USER MOD Single : A 40 TYR OH : rot 76:sc= 0.608 USER MOD Single : A 42 SER OG : rot 180:sc= 0.125 USER MOD Single : A 46 MET CE :methyl -151:sc= -0.249 (180deg=-0.76) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0.00254 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0953 USER MOD Single : A 79 ASN : amide:sc= 0.455 K(o=0.46,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 14.172 -7.913 -1.199 1.00 1.52 N ATOM 31 CA THR A 3 12.968 -8.445 -0.641 1.00 1.28 C ATOM 32 C THR A 3 11.813 -7.578 -1.172 1.00 1.04 C ATOM 33 O THR A 3 11.659 -6.427 -0.816 1.00 1.23 O ATOM 34 CB THR A 3 13.038 -8.442 0.939 1.00 1.66 C ATOM 35 OG1 THR A 3 11.850 -9.004 1.516 1.00 2.10 O ATOM 36 CG2 THR A 3 13.311 -7.054 1.542 1.00 2.36 C ATOM 0 HA THR A 3 12.817 -9.484 -0.933 1.00 1.28 H new ATOM 0 HB THR A 3 13.893 -9.069 1.191 1.00 1.66 H new ATOM 0 HG1 THR A 3 11.923 -8.990 2.493 1.00 2.10 H new ATOM 0 HG21 THR A 3 13.345 -7.130 2.629 1.00 2.36 H new ATOM 0 HG22 THR A 3 14.266 -6.679 1.174 1.00 2.36 H new ATOM 0 HG23 THR A 3 12.515 -6.368 1.251 1.00 2.36 H new ATOM 44 N LEU A 4 11.065 -8.115 -2.093 1.00 0.77 N ATOM 45 CA LEU A 4 10.006 -7.357 -2.710 1.00 0.59 C ATOM 46 C LEU A 4 8.660 -7.813 -2.217 1.00 0.58 C ATOM 47 O LEU A 4 8.551 -8.833 -1.515 1.00 0.79 O ATOM 48 CB LEU A 4 10.070 -7.478 -4.235 1.00 0.63 C ATOM 49 CG LEU A 4 11.339 -6.961 -4.912 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.258 -7.199 -6.404 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.547 -5.480 -4.626 1.00 0.64 C ATOM 0 H LEU A 4 11.165 -9.071 -2.435 1.00 0.77 H new ATOM 0 HA LEU A 4 10.142 -6.311 -2.434 1.00 0.59 H new ATOM 0 HB2 LEU A 4 9.948 -8.529 -4.498 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.218 -6.943 -4.655 1.00 0.63 H new ATOM 0 HG LEU A 4 12.192 -7.505 -4.506 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.165 -6.828 -6.881 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.157 -8.267 -6.597 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.394 -6.673 -6.810 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.457 -5.138 -5.120 1.00 0.64 H new ATOM 0 HD22 LEU A 4 10.695 -4.914 -5.003 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.638 -5.326 -3.551 1.00 0.64 H new ATOM 63 N LEU A 5 7.656 -7.068 -2.564 1.00 0.53 N ATOM 64 CA LEU A 5 6.300 -7.400 -2.246 1.00 0.58 C ATOM 65 C LEU A 5 5.702 -8.164 -3.396 1.00 0.47 C ATOM 66 O LEU A 5 5.997 -7.874 -4.570 1.00 0.54 O ATOM 67 CB LEU A 5 5.464 -6.137 -2.052 1.00 0.85 C ATOM 68 CG LEU A 5 5.828 -5.216 -0.908 1.00 0.59 C ATOM 69 CD1 LEU A 5 4.962 -3.972 -0.957 1.00 0.85 C ATOM 70 CD2 LEU A 5 5.627 -5.926 0.399 1.00 1.27 C ATOM 0 H LEU A 5 7.757 -6.197 -3.085 1.00 0.53 H new ATOM 0 HA LEU A 5 6.298 -7.988 -1.329 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.512 -5.559 -2.975 1.00 0.85 H new ATOM 0 HB3 LEU A 5 4.425 -6.440 -1.920 1.00 0.85 H new ATOM 0 HG LEU A 5 6.875 -4.927 -0.999 1.00 0.59 H new ATOM 0 HD11 LEU A 5 5.227 -3.311 -0.132 1.00 0.85 H new ATOM 0 HD12 LEU A 5 5.123 -3.454 -1.902 1.00 0.85 H new ATOM 0 HD13 LEU A 5 3.913 -4.255 -0.872 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.890 -5.259 1.220 1.00 1.27 H new ATOM 0 HD22 LEU A 5 4.583 -6.224 0.494 1.00 1.27 H new ATOM 0 HD23 LEU A 5 6.262 -6.812 0.433 1.00 1.27 H new ATOM 82 N THR A 6 4.911 -9.139 -3.088 1.00 0.43 N ATOM 83 CA THR A 6 4.174 -9.828 -4.085 1.00 0.48 C ATOM 84 C THR A 6 2.787 -9.219 -4.145 1.00 0.49 C ATOM 85 O THR A 6 2.497 -8.258 -3.416 1.00 0.52 O ATOM 86 CB THR A 6 4.064 -11.333 -3.770 1.00 0.58 C ATOM 87 OG1 THR A 6 3.593 -11.501 -2.421 1.00 0.64 O ATOM 88 CG2 THR A 6 5.400 -12.037 -3.946 1.00 0.76 C ATOM 0 H THR A 6 4.760 -9.477 -2.138 1.00 0.43 H new ATOM 0 HA THR A 6 4.688 -9.730 -5.041 1.00 0.48 H new ATOM 0 HB THR A 6 3.359 -11.782 -4.469 1.00 0.58 H new ATOM 0 HG1 THR A 6 3.520 -12.457 -2.217 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.286 -13.096 -3.716 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.738 -11.924 -4.976 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.135 -11.596 -3.272 1.00 0.76 H new ATOM 96 N THR A 7 1.931 -9.773 -4.949 1.00 0.56 N ATOM 97 CA THR A 7 0.572 -9.337 -5.002 1.00 0.62 C ATOM 98 C THR A 7 -0.107 -9.793 -3.697 1.00 0.64 C ATOM 99 O THR A 7 -0.866 -9.055 -3.071 1.00 0.73 O ATOM 100 CB THR A 7 -0.114 -9.987 -6.218 1.00 0.74 C ATOM 101 OG1 THR A 7 0.754 -9.864 -7.371 1.00 1.34 O ATOM 102 CG2 THR A 7 -1.432 -9.304 -6.528 1.00 1.19 C ATOM 0 H THR A 7 2.156 -10.538 -5.585 1.00 0.56 H new ATOM 0 HA THR A 7 0.503 -8.254 -5.102 1.00 0.62 H new ATOM 0 HB THR A 7 -0.306 -11.035 -5.987 1.00 0.74 H new ATOM 0 HG1 THR A 7 0.325 -10.277 -8.149 1.00 1.34 H new ATOM 0 HG21 THR A 7 -1.896 -9.782 -7.391 1.00 1.19 H new ATOM 0 HG22 THR A 7 -2.096 -9.386 -5.667 1.00 1.19 H new ATOM 0 HG23 THR A 7 -1.253 -8.252 -6.749 1.00 1.19 H new ATOM 110 N ASP A 8 0.254 -10.991 -3.263 1.00 0.65 N ATOM 111 CA ASP A 8 -0.312 -11.580 -2.065 1.00 0.71 C ATOM 112 C ASP A 8 0.191 -10.872 -0.795 1.00 0.65 C ATOM 113 O ASP A 8 -0.589 -10.611 0.125 1.00 0.69 O ATOM 114 CB ASP A 8 -0.024 -13.068 -2.011 1.00 0.86 C ATOM 115 CG ASP A 8 -0.740 -13.733 -0.878 1.00 1.61 C ATOM 116 OD1 ASP A 8 -1.932 -14.010 -0.998 1.00 1.74 O ATOM 117 OD2 ASP A 8 -0.110 -13.973 0.171 1.00 2.44 O ATOM 0 H ASP A 8 0.945 -11.578 -3.731 1.00 0.65 H new ATOM 0 HA ASP A 8 -1.393 -11.443 -2.107 1.00 0.71 H new ATOM 0 HB2 ASP A 8 -0.324 -13.530 -2.951 1.00 0.86 H new ATOM 0 HB3 ASP A 8 1.049 -13.227 -1.906 1.00 0.86 H new ATOM 122 N ASP A 9 1.485 -10.531 -0.747 1.00 0.60 N ATOM 123 CA ASP A 9 2.008 -9.757 0.399 1.00 0.61 C ATOM 124 C ASP A 9 1.410 -8.372 0.448 1.00 0.56 C ATOM 125 O ASP A 9 1.191 -7.818 1.535 1.00 0.62 O ATOM 126 CB ASP A 9 3.544 -9.675 0.469 1.00 0.64 C ATOM 127 CG ASP A 9 4.158 -10.732 1.367 1.00 1.13 C ATOM 128 OD1 ASP A 9 3.719 -10.870 2.534 1.00 2.06 O ATOM 129 OD2 ASP A 9 5.131 -11.407 0.955 1.00 1.32 O ATOM 0 H ASP A 9 2.174 -10.767 -1.461 1.00 0.60 H new ATOM 0 HA ASP A 9 1.696 -10.321 1.278 1.00 0.61 H new ATOM 0 HB2 ASP A 9 3.953 -9.779 -0.536 1.00 0.64 H new ATOM 0 HB3 ASP A 9 3.833 -8.688 0.830 1.00 0.64 H new ATOM 134 N LEU A 10 1.115 -7.814 -0.722 1.00 0.52 N ATOM 135 CA LEU A 10 0.461 -6.520 -0.806 1.00 0.51 C ATOM 136 C LEU A 10 -0.958 -6.634 -0.240 1.00 0.52 C ATOM 137 O LEU A 10 -1.433 -5.732 0.442 1.00 0.58 O ATOM 138 CB LEU A 10 0.428 -6.010 -2.250 1.00 0.50 C ATOM 139 CG LEU A 10 -0.135 -4.602 -2.454 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.729 -3.566 -1.749 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.254 -4.287 -3.931 1.00 0.56 C ATOM 0 H LEU A 10 1.321 -8.242 -1.625 1.00 0.52 H new ATOM 0 HA LEU A 10 1.028 -5.799 -0.218 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.443 -6.034 -2.646 1.00 0.50 H new ATOM 0 HB3 LEU A 10 -0.163 -6.705 -2.846 1.00 0.50 H new ATOM 0 HG LEU A 10 -1.132 -4.565 -2.014 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.309 -2.573 -1.908 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.757 -3.781 -0.681 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.741 -3.601 -2.152 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.656 -3.282 -4.057 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.730 -4.345 -4.396 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.922 -5.007 -4.404 1.00 0.56 H new ATOM 153 N ARG A 11 -1.615 -7.773 -0.511 1.00 0.51 N ATOM 154 CA ARG A 11 -2.928 -8.070 0.069 1.00 0.54 C ATOM 155 C ARG A 11 -2.853 -7.958 1.577 1.00 0.53 C ATOM 156 O ARG A 11 -3.651 -7.263 2.194 1.00 0.57 O ATOM 157 CB ARG A 11 -3.418 -9.485 -0.314 1.00 0.60 C ATOM 158 CG ARG A 11 -4.637 -9.932 0.492 1.00 0.82 C ATOM 159 CD ARG A 11 -5.156 -11.307 0.103 1.00 0.98 C ATOM 160 NE ARG A 11 -4.212 -12.395 0.325 1.00 1.50 N ATOM 161 CZ ARG A 11 -4.519 -13.528 0.963 1.00 2.13 C ATOM 162 NH1 ARG A 11 -5.655 -13.624 1.658 1.00 2.32 N ATOM 163 NH2 ARG A 11 -3.682 -14.541 0.924 1.00 3.08 N ATOM 0 H ARG A 11 -1.256 -8.501 -1.128 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.639 -7.347 -0.330 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -3.664 -9.503 -1.376 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.607 -10.198 -0.162 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.379 -9.937 1.551 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.436 -9.202 0.362 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -6.066 -11.511 0.668 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -5.432 -11.292 -0.951 1.00 0.98 H new ATOM 0 HE ARG A 11 -3.261 -12.285 -0.027 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -6.294 -12.830 1.704 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -5.884 -14.491 2.143 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -2.805 -14.459 0.409 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -3.909 -15.409 1.409 1.00 3.08 H new ATOM 177 N ARG A 12 -1.838 -8.602 2.139 1.00 0.54 N ATOM 178 CA ARG A 12 -1.600 -8.625 3.579 1.00 0.59 C ATOM 179 C ARG A 12 -1.445 -7.212 4.115 1.00 0.61 C ATOM 180 O ARG A 12 -2.015 -6.869 5.132 1.00 0.66 O ATOM 181 CB ARG A 12 -0.344 -9.441 3.899 1.00 0.72 C ATOM 182 CG ARG A 12 -0.433 -10.893 3.479 1.00 0.94 C ATOM 183 CD ARG A 12 0.859 -11.638 3.748 1.00 1.09 C ATOM 184 NE ARG A 12 0.746 -13.062 3.408 1.00 1.71 N ATOM 185 CZ ARG A 12 1.778 -13.913 3.293 1.00 2.06 C ATOM 186 NH1 ARG A 12 3.032 -13.452 3.220 1.00 1.90 N ATOM 187 NH2 ARG A 12 1.547 -15.207 3.130 1.00 3.10 N ATOM 0 H ARG A 12 -1.149 -9.129 1.603 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.459 -9.093 4.060 1.00 0.59 H new ATOM 0 HB2 ARG A 12 0.512 -8.982 3.404 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -0.155 -9.394 4.972 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -1.250 -11.377 4.015 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.671 -10.950 2.417 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.666 -11.189 3.169 1.00 1.09 H new ATOM 0 HD3 ARG A 12 1.126 -11.535 4.800 1.00 1.09 H new ATOM 0 HE ARG A 12 -0.190 -13.434 3.247 1.00 1.71 H new ATOM 0 HH11 ARG A 12 3.209 -12.448 3.252 1.00 1.90 H new ATOM 0 HH12 ARG A 12 3.811 -14.105 3.133 1.00 1.90 H new ATOM 0 HH21 ARG A 12 0.588 -15.553 3.092 1.00 3.10 H new ATOM 0 HH22 ARG A 12 2.328 -15.857 3.042 1.00 3.10 H new ATOM 201 N ALA A 13 -0.702 -6.394 3.376 1.00 0.66 N ATOM 202 CA ALA A 13 -0.449 -5.003 3.740 1.00 0.77 C ATOM 203 C ALA A 13 -1.752 -4.217 3.881 1.00 0.66 C ATOM 204 O ALA A 13 -1.958 -3.498 4.855 1.00 0.70 O ATOM 205 CB ALA A 13 0.438 -4.359 2.696 1.00 0.95 C ATOM 0 H ALA A 13 -0.256 -6.678 2.504 1.00 0.66 H new ATOM 0 HA ALA A 13 0.054 -4.988 4.707 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.626 -3.321 2.969 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.384 -4.897 2.641 1.00 0.95 H new ATOM 0 HB3 ALA A 13 -0.057 -4.395 1.726 1.00 0.95 H new ATOM 211 N LEU A 14 -2.644 -4.394 2.928 1.00 0.58 N ATOM 212 CA LEU A 14 -3.917 -3.702 2.950 1.00 0.57 C ATOM 213 C LEU A 14 -4.875 -4.261 3.998 1.00 0.56 C ATOM 214 O LEU A 14 -5.843 -3.616 4.345 1.00 0.77 O ATOM 215 CB LEU A 14 -4.590 -3.623 1.562 1.00 0.59 C ATOM 216 CG LEU A 14 -4.076 -2.549 0.568 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.196 -1.155 1.161 1.00 1.09 C ATOM 218 CD2 LEU A 14 -2.654 -2.813 0.106 1.00 1.40 C ATOM 0 H LEU A 14 -2.511 -5.012 2.127 1.00 0.58 H new ATOM 0 HA LEU A 14 -3.678 -2.680 3.243 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -4.488 -4.597 1.084 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -5.656 -3.454 1.716 1.00 0.59 H new ATOM 0 HG LEU A 14 -4.714 -2.611 -0.313 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -3.829 -0.421 0.443 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -5.241 -0.946 1.391 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.605 -1.096 2.075 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -2.346 -2.031 -0.588 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -1.986 -2.818 0.968 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -2.608 -3.780 -0.394 1.00 1.40 H new ATOM 230 N VAL A 15 -4.612 -5.447 4.502 1.00 0.46 N ATOM 231 CA VAL A 15 -5.455 -5.998 5.559 1.00 0.49 C ATOM 232 C VAL A 15 -5.047 -5.379 6.907 1.00 0.52 C ATOM 233 O VAL A 15 -5.882 -5.186 7.812 1.00 0.66 O ATOM 234 CB VAL A 15 -5.374 -7.563 5.649 1.00 0.55 C ATOM 235 CG1 VAL A 15 -6.312 -8.109 6.722 1.00 0.67 C ATOM 236 CG2 VAL A 15 -5.698 -8.210 4.315 1.00 0.59 C ATOM 0 H VAL A 15 -3.839 -6.044 4.209 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.488 -5.747 5.317 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.348 -7.811 5.921 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -6.231 -9.195 6.758 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -6.038 -7.693 7.691 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.338 -7.829 6.485 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -5.633 -9.294 4.411 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -6.707 -7.932 4.012 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -4.986 -7.869 3.563 1.00 0.59 H new ATOM 246 N GLU A 16 -3.785 -4.974 6.995 1.00 0.48 N ATOM 247 CA GLU A 16 -3.220 -4.458 8.234 1.00 0.54 C ATOM 248 C GLU A 16 -3.857 -3.152 8.690 1.00 0.51 C ATOM 249 O GLU A 16 -4.109 -2.970 9.875 1.00 0.63 O ATOM 250 CB GLU A 16 -1.707 -4.321 8.146 1.00 0.64 C ATOM 251 CG GLU A 16 -1.018 -5.617 7.797 1.00 0.83 C ATOM 252 CD GLU A 16 0.471 -5.552 7.918 1.00 1.12 C ATOM 253 OE1 GLU A 16 1.117 -4.886 7.098 1.00 1.94 O ATOM 254 OE2 GLU A 16 1.029 -6.224 8.818 1.00 1.14 O ATOM 0 H GLU A 16 -3.129 -4.994 6.214 1.00 0.48 H new ATOM 0 HA GLU A 16 -3.455 -5.200 8.997 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.459 -3.570 7.396 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.324 -3.958 9.100 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -1.394 -6.406 8.449 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -1.280 -5.895 6.776 1.00 0.83 H new ATOM 261 N SER A 17 -4.135 -2.260 7.775 1.00 0.49 N ATOM 262 CA SER A 17 -4.737 -0.995 8.153 1.00 0.58 C ATOM 263 C SER A 17 -6.269 -1.038 8.042 1.00 0.66 C ATOM 264 O SER A 17 -6.959 -0.114 8.478 1.00 0.98 O ATOM 265 CB SER A 17 -4.163 0.129 7.298 1.00 0.62 C ATOM 266 OG SER A 17 -2.740 0.109 7.336 1.00 1.38 O ATOM 0 H SER A 17 -3.960 -2.376 6.777 1.00 0.49 H new ATOM 0 HA SER A 17 -4.496 -0.805 9.199 1.00 0.58 H new ATOM 0 HB2 SER A 17 -4.506 0.023 6.269 1.00 0.62 H new ATOM 0 HB3 SER A 17 -4.529 1.091 7.658 1.00 0.62 H new ATOM 0 HG SER A 17 -2.410 0.959 7.696 1.00 1.38 H new ATOM 272 N ALA A 18 -6.792 -2.116 7.495 1.00 0.65 N ATOM 273 CA ALA A 18 -8.222 -2.226 7.298 1.00 0.88 C ATOM 274 C ALA A 18 -8.882 -2.917 8.458 1.00 0.85 C ATOM 275 O ALA A 18 -9.890 -2.441 8.986 1.00 1.04 O ATOM 276 CB ALA A 18 -8.538 -2.960 6.010 1.00 1.13 C ATOM 0 H ALA A 18 -6.253 -2.923 7.181 1.00 0.65 H new ATOM 0 HA ALA A 18 -8.619 -1.213 7.230 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -9.619 -3.029 5.886 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.110 -2.417 5.167 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.113 -3.963 6.049 1.00 1.13 H new ATOM 282 N GLY A 19 -8.312 -4.025 8.866 1.00 0.79 N ATOM 283 CA GLY A 19 -8.910 -4.813 9.902 1.00 0.97 C ATOM 284 C GLY A 19 -10.012 -5.637 9.309 1.00 1.18 C ATOM 285 O GLY A 19 -9.752 -6.631 8.622 1.00 1.57 O ATOM 0 H GLY A 19 -7.438 -4.396 8.494 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -8.163 -5.459 10.364 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -9.303 -4.168 10.688 1.00 0.97 H new ATOM 289 N GLU A 20 -11.233 -5.211 9.513 1.00 1.43 N ATOM 290 CA GLU A 20 -12.355 -5.874 8.916 1.00 1.75 C ATOM 291 C GLU A 20 -13.483 -4.873 8.711 1.00 1.79 C ATOM 292 O GLU A 20 -14.403 -4.762 9.530 1.00 2.30 O ATOM 293 CB GLU A 20 -12.824 -7.060 9.760 1.00 2.40 C ATOM 294 CG GLU A 20 -13.763 -8.000 9.028 1.00 3.14 C ATOM 295 CD GLU A 20 -13.094 -8.666 7.848 1.00 3.62 C ATOM 296 OE1 GLU A 20 -12.425 -9.703 8.024 1.00 3.97 O ATOM 297 OE2 GLU A 20 -13.216 -8.147 6.720 1.00 4.15 O ATOM 0 H GLU A 20 -11.471 -4.405 10.091 1.00 1.43 H new ATOM 0 HA GLU A 20 -12.048 -6.274 7.950 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -11.952 -7.622 10.096 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -13.325 -6.684 10.652 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -14.123 -8.763 9.718 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -14.636 -7.445 8.684 1.00 3.14 H new ATOM 304 N THR A 21 -13.360 -4.099 7.676 1.00 1.91 N ATOM 305 CA THR A 21 -14.330 -3.103 7.323 1.00 2.43 C ATOM 306 C THR A 21 -15.477 -3.738 6.546 1.00 2.45 C ATOM 307 O THR A 21 -16.438 -4.273 7.123 1.00 3.06 O ATOM 308 CB THR A 21 -13.626 -2.012 6.489 1.00 3.22 C ATOM 309 OG1 THR A 21 -12.806 -2.664 5.493 1.00 3.77 O ATOM 310 CG2 THR A 21 -12.755 -1.128 7.370 1.00 3.83 C ATOM 0 H THR A 21 -12.565 -4.142 7.038 1.00 1.91 H new ATOM 0 HA THR A 21 -14.754 -2.652 8.220 1.00 2.43 H new ATOM 0 HB THR A 21 -14.376 -1.378 6.017 1.00 3.22 H new ATOM 0 HG1 THR A 21 -12.350 -1.987 4.950 1.00 3.77 H new ATOM 0 HG21 THR A 21 -12.271 -0.368 6.757 1.00 3.83 H new ATOM 0 HG22 THR A 21 -13.374 -0.644 8.126 1.00 3.83 H new ATOM 0 HG23 THR A 21 -11.995 -1.738 7.859 1.00 3.83 H new ATOM 318 N ASP A 22 -15.355 -3.684 5.272 1.00 2.17 N ATOM 319 CA ASP A 22 -16.286 -4.307 4.355 1.00 2.48 C ATOM 320 C ASP A 22 -15.748 -5.675 3.982 1.00 2.10 C ATOM 321 O ASP A 22 -16.493 -6.658 3.859 1.00 2.55 O ATOM 322 CB ASP A 22 -16.473 -3.440 3.111 1.00 3.04 C ATOM 323 CG ASP A 22 -17.445 -4.022 2.110 1.00 3.67 C ATOM 324 OD1 ASP A 22 -18.661 -3.912 2.315 1.00 3.96 O ATOM 325 OD2 ASP A 22 -17.003 -4.630 1.119 1.00 4.25 O ATOM 0 H ASP A 22 -14.590 -3.196 4.807 1.00 2.17 H new ATOM 0 HA ASP A 22 -17.261 -4.414 4.830 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -16.824 -2.454 3.415 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -15.506 -3.299 2.627 1.00 3.04 H new ATOM 330 N GLY A 23 -14.444 -5.748 3.861 1.00 1.96 N ATOM 331 CA GLY A 23 -13.791 -6.991 3.553 1.00 2.00 C ATOM 332 C GLY A 23 -12.581 -6.763 2.709 1.00 1.94 C ATOM 333 O GLY A 23 -12.502 -7.248 1.577 1.00 2.20 O ATOM 0 H GLY A 23 -13.814 -4.954 3.973 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -13.505 -7.495 4.476 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -14.484 -7.651 3.031 1.00 2.00 H new ATOM 337 N THR A 24 -11.625 -6.044 3.248 1.00 1.83 N ATOM 338 CA THR A 24 -10.454 -5.698 2.498 1.00 1.80 C ATOM 339 C THR A 24 -9.362 -6.775 2.590 1.00 1.84 C ATOM 340 O THR A 24 -8.339 -6.608 3.248 1.00 1.90 O ATOM 341 CB THR A 24 -9.920 -4.304 2.892 1.00 1.83 C ATOM 342 OG1 THR A 24 -11.028 -3.385 2.909 1.00 1.96 O ATOM 343 CG2 THR A 24 -8.914 -3.813 1.855 1.00 1.85 C ATOM 0 H THR A 24 -11.641 -5.690 4.204 1.00 1.83 H new ATOM 0 HA THR A 24 -10.753 -5.649 1.451 1.00 1.80 H new ATOM 0 HB THR A 24 -9.438 -4.364 3.868 1.00 1.83 H new ATOM 0 HG1 THR A 24 -10.880 -2.681 2.243 1.00 1.96 H new ATOM 0 HG21 THR A 24 -8.545 -2.829 2.144 1.00 1.85 H new ATOM 0 HG22 THR A 24 -8.079 -4.512 1.798 1.00 1.85 H new ATOM 0 HG23 THR A 24 -9.399 -3.747 0.881 1.00 1.85 H new ATOM 351 N ASP A 25 -9.672 -7.911 2.031 1.00 1.96 N ATOM 352 CA ASP A 25 -8.722 -8.970 1.830 1.00 2.09 C ATOM 353 C ASP A 25 -8.686 -9.215 0.356 1.00 1.62 C ATOM 354 O ASP A 25 -9.600 -9.795 -0.226 1.00 1.86 O ATOM 355 CB ASP A 25 -9.067 -10.245 2.600 1.00 2.69 C ATOM 356 CG ASP A 25 -8.129 -11.387 2.260 1.00 3.10 C ATOM 357 OD1 ASP A 25 -6.982 -11.421 2.760 1.00 3.40 O ATOM 358 OD2 ASP A 25 -8.529 -12.282 1.493 1.00 3.55 O ATOM 0 H ASP A 25 -10.610 -8.131 1.696 1.00 1.96 H new ATOM 0 HA ASP A 25 -7.747 -8.675 2.217 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -9.021 -10.045 3.671 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -10.092 -10.539 2.374 1.00 2.69 H new ATOM 363 N LEU A 26 -7.660 -8.724 -0.246 1.00 1.28 N ATOM 364 CA LEU A 26 -7.542 -8.662 -1.678 1.00 0.95 C ATOM 365 C LEU A 26 -7.055 -9.972 -2.278 1.00 1.02 C ATOM 366 O LEU A 26 -5.934 -10.063 -2.789 1.00 1.36 O ATOM 367 CB LEU A 26 -6.614 -7.510 -2.098 1.00 1.16 C ATOM 368 CG LEU A 26 -6.973 -6.071 -1.660 1.00 0.73 C ATOM 369 CD1 LEU A 26 -8.402 -5.718 -2.001 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.664 -5.814 -0.192 1.00 1.05 C ATOM 0 H LEU A 26 -6.854 -8.342 0.248 1.00 1.28 H new ATOM 0 HA LEU A 26 -8.543 -8.477 -2.068 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -5.617 -7.733 -1.717 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -6.549 -7.518 -3.186 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.329 -5.405 -2.235 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -8.613 -4.699 -1.676 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -8.548 -5.793 -3.079 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -9.078 -6.407 -1.495 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -6.935 -4.789 0.063 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.236 -6.505 0.427 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -5.599 -5.963 -0.013 1.00 1.05 H new ATOM 382 N SER A 27 -7.845 -10.988 -2.131 1.00 1.03 N ATOM 383 CA SER A 27 -7.537 -12.266 -2.718 1.00 1.23 C ATOM 384 C SER A 27 -7.752 -12.222 -4.228 1.00 1.39 C ATOM 385 O SER A 27 -8.873 -12.003 -4.702 1.00 2.16 O ATOM 386 CB SER A 27 -8.363 -13.375 -2.065 1.00 1.77 C ATOM 387 OG SER A 27 -7.960 -13.579 -0.711 1.00 2.39 O ATOM 0 H SER A 27 -8.718 -10.962 -1.605 1.00 1.03 H new ATOM 0 HA SER A 27 -6.486 -12.491 -2.536 1.00 1.23 H new ATOM 0 HB2 SER A 27 -9.421 -13.114 -2.099 1.00 1.77 H new ATOM 0 HB3 SER A 27 -8.245 -14.301 -2.627 1.00 1.77 H new ATOM 0 HG SER A 27 -8.176 -12.783 -0.182 1.00 2.39 H new ATOM 393 N GLY A 28 -6.675 -12.373 -4.962 1.00 1.32 N ATOM 394 CA GLY A 28 -6.745 -12.353 -6.399 1.00 1.62 C ATOM 395 C GLY A 28 -6.140 -11.091 -6.967 1.00 1.42 C ATOM 396 O GLY A 28 -5.190 -10.541 -6.393 1.00 1.77 O ATOM 0 H GLY A 28 -5.738 -12.511 -4.584 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -6.223 -13.221 -6.802 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -7.785 -12.433 -6.714 1.00 1.62 H new ATOM 400 N ASP A 29 -6.693 -10.629 -8.064 1.00 1.39 N ATOM 401 CA ASP A 29 -6.225 -9.428 -8.759 1.00 1.21 C ATOM 402 C ASP A 29 -6.843 -8.195 -8.133 1.00 0.96 C ATOM 403 O ASP A 29 -8.049 -8.177 -7.859 1.00 1.17 O ATOM 404 CB ASP A 29 -6.601 -9.500 -10.254 1.00 1.44 C ATOM 405 CG ASP A 29 -6.272 -8.230 -11.029 1.00 1.84 C ATOM 406 OD1 ASP A 29 -5.104 -8.034 -11.412 1.00 2.28 O ATOM 407 OD2 ASP A 29 -7.177 -7.414 -11.277 1.00 2.30 O ATOM 0 H ASP A 29 -7.492 -11.075 -8.514 1.00 1.39 H new ATOM 0 HA ASP A 29 -5.140 -9.369 -8.669 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -6.078 -10.340 -10.711 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -7.668 -9.703 -10.342 1.00 1.44 H new ATOM 412 N PHE A 30 -6.034 -7.171 -7.896 1.00 0.73 N ATOM 413 CA PHE A 30 -6.528 -5.945 -7.277 1.00 0.56 C ATOM 414 C PHE A 30 -5.659 -4.720 -7.596 1.00 0.46 C ATOM 415 O PHE A 30 -6.001 -3.607 -7.209 1.00 0.43 O ATOM 416 CB PHE A 30 -6.665 -6.111 -5.755 1.00 0.53 C ATOM 417 CG PHE A 30 -5.374 -6.317 -5.016 1.00 0.55 C ATOM 418 CD1 PHE A 30 -4.778 -7.565 -4.960 1.00 0.74 C ATOM 419 CD2 PHE A 30 -4.769 -5.263 -4.355 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.609 -7.752 -4.265 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.603 -5.446 -3.656 1.00 0.68 C ATOM 422 CZ PHE A 30 -3.022 -6.692 -3.611 1.00 0.83 C ATOM 0 H PHE A 30 -5.039 -7.163 -8.121 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.512 -5.764 -7.709 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.159 -5.227 -5.352 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.319 -6.960 -5.555 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -5.237 -8.400 -5.468 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.221 -4.283 -4.390 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -3.150 -8.729 -4.231 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -3.143 -4.615 -3.143 1.00 0.68 H new ATOM 0 HZ PHE A 30 -2.104 -6.839 -3.062 1.00 0.83 H new ATOM 432 N LEU A 31 -4.550 -4.911 -8.308 1.00 0.49 N ATOM 433 CA LEU A 31 -3.633 -3.807 -8.639 1.00 0.49 C ATOM 434 C LEU A 31 -4.276 -2.700 -9.467 1.00 0.49 C ATOM 435 O LEU A 31 -3.808 -1.558 -9.453 1.00 0.58 O ATOM 436 CB LEU A 31 -2.381 -4.323 -9.353 1.00 0.59 C ATOM 437 CG LEU A 31 -1.173 -4.676 -8.477 1.00 0.86 C ATOM 438 CD1 LEU A 31 -1.502 -5.713 -7.422 1.00 1.08 C ATOM 439 CD2 LEU A 31 -0.013 -5.136 -9.340 1.00 1.85 C ATOM 0 H LEU A 31 -4.259 -5.819 -8.670 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.356 -3.367 -7.681 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.658 -5.211 -9.922 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -2.067 -3.568 -10.074 1.00 0.59 H new ATOM 0 HG LEU A 31 -0.885 -3.769 -7.945 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -0.611 -5.926 -6.831 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -2.288 -5.332 -6.770 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -1.843 -6.628 -7.905 1.00 1.08 H new ATOM 0 HD21 LEU A 31 0.838 -5.383 -8.705 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -0.310 -6.017 -9.908 1.00 1.85 H new ATOM 0 HD23 LEU A 31 0.268 -4.338 -10.028 1.00 1.85 H new ATOM 451 N ASP A 32 -5.348 -3.019 -10.147 1.00 0.49 N ATOM 452 CA ASP A 32 -6.004 -2.070 -11.032 1.00 0.67 C ATOM 453 C ASP A 32 -7.247 -1.480 -10.406 1.00 0.57 C ATOM 454 O ASP A 32 -8.084 -0.889 -11.086 1.00 0.74 O ATOM 455 CB ASP A 32 -6.318 -2.713 -12.375 1.00 0.94 C ATOM 456 CG ASP A 32 -5.077 -3.000 -13.176 1.00 1.76 C ATOM 457 OD1 ASP A 32 -4.614 -2.105 -13.920 1.00 2.27 O ATOM 458 OD2 ASP A 32 -4.533 -4.120 -13.088 1.00 2.55 O ATOM 0 H ASP A 32 -5.794 -3.936 -10.109 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.310 -1.247 -11.201 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -6.865 -3.642 -12.211 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -6.972 -2.054 -12.946 1.00 0.94 H new ATOM 463 N LEU A 33 -7.366 -1.633 -9.119 1.00 0.51 N ATOM 464 CA LEU A 33 -8.451 -1.037 -8.372 1.00 0.60 C ATOM 465 C LEU A 33 -8.056 0.329 -7.872 1.00 0.50 C ATOM 466 O LEU A 33 -6.923 0.778 -8.055 1.00 0.60 O ATOM 467 CB LEU A 33 -8.812 -1.899 -7.154 1.00 0.85 C ATOM 468 CG LEU A 33 -9.653 -3.139 -7.396 1.00 0.69 C ATOM 469 CD1 LEU A 33 -9.706 -3.969 -6.129 1.00 1.35 C ATOM 470 CD2 LEU A 33 -11.058 -2.724 -7.782 1.00 1.12 C ATOM 0 H LEU A 33 -6.715 -2.175 -8.551 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.307 -0.963 -9.042 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -7.883 -2.211 -6.676 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -9.342 -1.268 -6.441 1.00 0.85 H new ATOM 0 HG LEU A 33 -9.210 -3.728 -8.199 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -10.310 -4.860 -6.302 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.696 -4.265 -5.845 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -10.150 -3.380 -5.327 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -11.665 -3.612 -7.957 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.498 -2.137 -6.976 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -11.023 -2.124 -8.691 1.00 1.12 H new ATOM 482 N ARG A 34 -8.996 0.983 -7.282 1.00 0.50 N ATOM 483 CA ARG A 34 -8.748 2.175 -6.549 1.00 0.51 C ATOM 484 C ARG A 34 -8.898 1.798 -5.113 1.00 0.47 C ATOM 485 O ARG A 34 -9.549 0.789 -4.800 1.00 0.58 O ATOM 486 CB ARG A 34 -9.772 3.253 -6.863 1.00 0.67 C ATOM 487 CG ARG A 34 -9.725 3.823 -8.251 1.00 0.85 C ATOM 488 CD ARG A 34 -8.440 4.564 -8.527 1.00 0.93 C ATOM 489 NE ARG A 34 -8.539 5.322 -9.781 1.00 1.72 N ATOM 490 CZ ARG A 34 -7.523 5.611 -10.593 1.00 2.04 C ATOM 491 NH1 ARG A 34 -6.366 4.996 -10.449 1.00 1.66 N ATOM 492 NH2 ARG A 34 -7.692 6.463 -11.586 1.00 3.07 N ATOM 0 H ARG A 34 -9.976 0.699 -7.296 1.00 0.50 H new ATOM 0 HA ARG A 34 -7.764 2.571 -6.798 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -10.767 2.841 -6.695 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -9.641 4.069 -6.152 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -9.839 3.017 -8.976 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -10.568 4.499 -8.392 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -8.221 5.242 -7.702 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -7.612 3.857 -8.587 1.00 0.93 H new ATOM 0 HE ARG A 34 -9.464 5.655 -10.053 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -6.248 4.298 -9.715 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -5.589 5.218 -11.072 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -8.601 6.901 -11.733 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -6.913 6.683 -12.207 1.00 3.07 H new ATOM 506 N PHE A 35 -8.353 2.575 -4.244 1.00 0.42 N ATOM 507 CA PHE A 35 -8.489 2.311 -2.838 1.00 0.42 C ATOM 508 C PHE A 35 -9.891 2.658 -2.391 1.00 0.53 C ATOM 509 O PHE A 35 -10.426 2.066 -1.467 1.00 0.61 O ATOM 510 CB PHE A 35 -7.435 3.044 -2.050 1.00 0.41 C ATOM 511 CG PHE A 35 -6.061 2.551 -2.349 1.00 0.39 C ATOM 512 CD1 PHE A 35 -5.594 1.396 -1.774 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.234 3.251 -3.212 1.00 0.44 C ATOM 514 CE1 PHE A 35 -4.334 0.938 -2.048 1.00 0.51 C ATOM 515 CE2 PHE A 35 -3.967 2.796 -3.495 1.00 0.51 C ATOM 516 CZ PHE A 35 -3.512 1.636 -2.896 1.00 0.53 C ATOM 0 H PHE A 35 -7.805 3.404 -4.474 1.00 0.42 H new ATOM 0 HA PHE A 35 -8.332 1.249 -2.650 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -7.493 4.109 -2.273 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.636 2.930 -0.985 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.228 0.842 -1.098 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -5.588 4.164 -3.668 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -3.985 0.022 -1.594 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.333 3.340 -4.179 1.00 0.51 H new ATOM 0 HZ PHE A 35 -2.512 1.280 -3.095 1.00 0.53 H new ATOM 526 N GLU A 36 -10.480 3.583 -3.105 1.00 0.64 N ATOM 527 CA GLU A 36 -11.869 3.994 -2.963 1.00 0.83 C ATOM 528 C GLU A 36 -12.800 2.768 -2.979 1.00 0.92 C ATOM 529 O GLU A 36 -13.656 2.592 -2.099 1.00 1.05 O ATOM 530 CB GLU A 36 -12.182 4.858 -4.161 1.00 1.00 C ATOM 531 CG GLU A 36 -13.598 5.342 -4.275 1.00 1.56 C ATOM 532 CD GLU A 36 -13.815 5.962 -5.610 1.00 2.05 C ATOM 533 OE1 GLU A 36 -13.453 7.133 -5.800 1.00 2.77 O ATOM 534 OE2 GLU A 36 -14.303 5.275 -6.517 1.00 2.39 O ATOM 0 H GLU A 36 -9.990 4.098 -3.836 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.018 4.523 -2.022 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -11.524 5.726 -4.139 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -11.938 4.296 -5.062 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -14.288 4.510 -4.134 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -13.808 6.067 -3.489 1.00 1.56 H new ATOM 541 N ASP A 37 -12.576 1.895 -3.959 1.00 0.92 N ATOM 542 CA ASP A 37 -13.399 0.704 -4.173 1.00 1.07 C ATOM 543 C ASP A 37 -13.227 -0.299 -3.057 1.00 1.02 C ATOM 544 O ASP A 37 -14.092 -1.143 -2.830 1.00 1.20 O ATOM 545 CB ASP A 37 -13.073 0.035 -5.516 1.00 1.17 C ATOM 546 CG ASP A 37 -13.401 0.899 -6.708 1.00 1.39 C ATOM 547 OD1 ASP A 37 -14.568 0.911 -7.144 1.00 1.64 O ATOM 548 OD2 ASP A 37 -12.499 1.591 -7.226 1.00 1.99 O ATOM 0 H ASP A 37 -11.815 1.993 -4.631 1.00 0.92 H new ATOM 0 HA ASP A 37 -14.437 1.038 -4.185 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -12.013 -0.218 -5.540 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -13.626 -0.901 -5.591 1.00 1.17 H new ATOM 553 N ILE A 38 -12.128 -0.205 -2.353 1.00 0.85 N ATOM 554 CA ILE A 38 -11.845 -1.116 -1.263 1.00 0.88 C ATOM 555 C ILE A 38 -11.890 -0.420 0.090 1.00 0.84 C ATOM 556 O ILE A 38 -11.364 -0.917 1.088 1.00 0.91 O ATOM 557 CB ILE A 38 -10.526 -1.907 -1.460 1.00 0.85 C ATOM 558 CG1 ILE A 38 -9.356 -0.967 -1.791 1.00 0.66 C ATOM 559 CG2 ILE A 38 -10.720 -2.926 -2.561 1.00 0.97 C ATOM 560 CD1 ILE A 38 -7.996 -1.639 -1.835 1.00 0.68 C ATOM 0 H ILE A 38 -11.406 0.498 -2.514 1.00 0.85 H new ATOM 0 HA ILE A 38 -12.647 -1.854 -1.275 1.00 0.88 H new ATOM 0 HB ILE A 38 -10.278 -2.418 -0.530 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -9.546 -0.498 -2.757 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -9.328 -0.169 -1.049 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -9.796 -3.486 -2.705 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -11.521 -3.612 -2.285 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -10.983 -2.415 -3.487 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -7.232 -0.899 -2.075 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -7.778 -2.083 -0.864 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -8.000 -2.418 -2.598 1.00 0.68 H new ATOM 572 N GLY A 39 -12.608 0.687 0.121 1.00 0.81 N ATOM 573 CA GLY A 39 -12.833 1.439 1.349 1.00 0.82 C ATOM 574 C GLY A 39 -11.556 1.942 1.995 1.00 0.71 C ATOM 575 O GLY A 39 -11.320 1.720 3.185 1.00 0.82 O ATOM 0 H GLY A 39 -13.053 1.093 -0.702 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -13.480 2.289 1.131 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -13.366 0.807 2.060 1.00 0.82 H new ATOM 579 N TYR A 40 -10.734 2.574 1.220 1.00 0.56 N ATOM 580 CA TYR A 40 -9.502 3.132 1.698 1.00 0.48 C ATOM 581 C TYR A 40 -9.372 4.573 1.299 1.00 0.43 C ATOM 582 O TYR A 40 -9.359 4.902 0.121 1.00 0.50 O ATOM 583 CB TYR A 40 -8.304 2.350 1.171 1.00 0.51 C ATOM 584 CG TYR A 40 -7.674 1.426 2.161 1.00 0.52 C ATOM 585 CD1 TYR A 40 -8.190 0.157 2.344 1.00 0.67 C ATOM 586 CD2 TYR A 40 -6.585 1.807 2.920 1.00 0.60 C ATOM 587 CE1 TYR A 40 -7.642 -0.711 3.247 1.00 0.83 C ATOM 588 CE2 TYR A 40 -6.027 0.939 3.831 1.00 0.79 C ATOM 589 CZ TYR A 40 -6.455 -0.242 3.991 1.00 0.88 C ATOM 590 OH TYR A 40 -6.023 -1.187 4.890 1.00 1.13 O ATOM 0 H TYR A 40 -10.898 2.721 0.224 1.00 0.56 H new ATOM 0 HA TYR A 40 -9.518 3.065 2.786 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.620 1.770 0.304 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -7.550 3.057 0.825 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -9.044 -0.156 1.761 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -6.167 2.795 2.798 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -8.058 -1.694 3.409 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -5.195 1.277 4.431 1.00 0.79 H new ATOM 0 HH TYR A 40 -5.554 -1.903 4.412 1.00 1.13 H new ATOM 600 N ASP A 41 -9.310 5.425 2.278 1.00 0.49 N ATOM 601 CA ASP A 41 -9.064 6.834 2.050 1.00 0.54 C ATOM 602 C ASP A 41 -7.591 7.068 2.261 1.00 0.52 C ATOM 603 O ASP A 41 -6.914 6.217 2.869 1.00 0.88 O ATOM 604 CB ASP A 41 -9.862 7.722 3.029 1.00 0.71 C ATOM 605 CG ASP A 41 -11.362 7.607 2.883 1.00 1.05 C ATOM 606 OD1 ASP A 41 -11.950 8.324 2.033 1.00 1.48 O ATOM 607 OD2 ASP A 41 -11.992 6.796 3.605 1.00 1.35 O ATOM 0 H ASP A 41 -9.427 5.172 3.259 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.380 7.097 1.040 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -9.586 7.458 4.050 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -9.572 8.762 2.879 1.00 0.71 H new ATOM 612 N SER A 42 -7.095 8.202 1.813 1.00 0.39 N ATOM 613 CA SER A 42 -5.693 8.574 1.963 1.00 0.48 C ATOM 614 C SER A 42 -5.285 8.607 3.434 1.00 0.42 C ATOM 615 O SER A 42 -4.125 8.347 3.776 1.00 0.43 O ATOM 616 CB SER A 42 -5.434 9.904 1.264 1.00 0.71 C ATOM 617 OG SER A 42 -6.711 10.553 0.945 1.00 0.98 O ATOM 0 H SER A 42 -7.655 8.903 1.328 1.00 0.39 H new ATOM 0 HA SER A 42 -5.071 7.816 1.486 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.836 10.552 1.905 1.00 0.71 H new ATOM 0 HB3 SER A 42 -4.860 9.741 0.352 1.00 0.71 H new ATOM 0 HG SER A 42 -6.541 11.408 0.498 1.00 0.98 H new ATOM 622 N LEU A 43 -6.267 8.905 4.281 1.00 0.46 N ATOM 623 CA LEU A 43 -6.144 8.833 5.734 1.00 0.52 C ATOM 624 C LEU A 43 -5.538 7.489 6.157 1.00 0.45 C ATOM 625 O LEU A 43 -4.551 7.432 6.894 1.00 0.53 O ATOM 626 CB LEU A 43 -7.538 8.938 6.356 1.00 0.66 C ATOM 627 CG LEU A 43 -8.288 10.247 6.172 1.00 0.83 C ATOM 628 CD1 LEU A 43 -9.699 10.117 6.714 1.00 1.02 C ATOM 629 CD2 LEU A 43 -7.564 11.364 6.886 1.00 0.97 C ATOM 0 H LEU A 43 -7.189 9.210 3.970 1.00 0.46 H new ATOM 0 HA LEU A 43 -5.500 9.646 6.070 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -8.152 8.137 5.944 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -7.445 8.750 7.426 1.00 0.66 H new ATOM 0 HG LEU A 43 -8.336 10.479 5.108 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -10.229 11.060 6.578 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -10.223 9.325 6.178 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -9.660 9.873 7.776 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -8.109 12.298 6.748 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -7.500 11.135 7.950 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -6.559 11.467 6.476 1.00 0.97 H new ATOM 641 N ALA A 44 -6.111 6.421 5.642 1.00 0.40 N ATOM 642 CA ALA A 44 -5.691 5.081 5.978 1.00 0.39 C ATOM 643 C ALA A 44 -4.475 4.683 5.166 1.00 0.34 C ATOM 644 O ALA A 44 -3.618 3.968 5.650 1.00 0.38 O ATOM 645 CB ALA A 44 -6.829 4.094 5.760 1.00 0.43 C ATOM 0 H ALA A 44 -6.883 6.460 4.977 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.418 5.061 7.033 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.494 3.089 6.018 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.674 4.368 6.391 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.135 4.117 4.714 1.00 0.43 H new ATOM 651 N LEU A 45 -4.388 5.192 3.944 1.00 0.31 N ATOM 652 CA LEU A 45 -3.272 4.888 3.042 1.00 0.30 C ATOM 653 C LEU A 45 -1.932 5.285 3.627 1.00 0.29 C ATOM 654 O LEU A 45 -0.933 4.564 3.478 1.00 0.30 O ATOM 655 CB LEU A 45 -3.473 5.547 1.681 1.00 0.32 C ATOM 656 CG LEU A 45 -4.635 5.010 0.868 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.751 5.743 -0.453 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.446 3.529 0.639 1.00 0.36 C ATOM 0 H LEU A 45 -5.082 5.825 3.547 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.262 3.806 2.911 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.619 6.617 1.831 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.559 5.429 1.100 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.560 5.172 1.421 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.591 5.341 -1.019 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.913 6.805 -0.267 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.832 5.611 -1.024 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.281 3.142 0.055 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.515 3.360 0.098 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.406 3.015 1.599 1.00 0.36 H new ATOM 670 N MET A 46 -1.903 6.414 4.312 1.00 0.30 N ATOM 671 CA MET A 46 -0.679 6.873 4.945 1.00 0.31 C ATOM 672 C MET A 46 -0.305 5.968 6.097 1.00 0.33 C ATOM 673 O MET A 46 0.875 5.766 6.380 1.00 0.37 O ATOM 674 CB MET A 46 -0.797 8.316 5.420 1.00 0.37 C ATOM 675 CG MET A 46 -1.021 9.304 4.303 1.00 0.40 C ATOM 676 SD MET A 46 -1.167 10.993 4.907 1.00 0.54 S ATOM 677 CE MET A 46 -1.407 11.871 3.368 1.00 1.67 C ATOM 0 H MET A 46 -2.708 7.027 4.444 1.00 0.30 H new ATOM 0 HA MET A 46 0.112 6.835 4.196 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.621 8.390 6.129 1.00 0.37 H new ATOM 0 HB3 MET A 46 0.111 8.588 5.957 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.194 9.243 3.596 1.00 0.40 H new ATOM 0 HG3 MET A 46 -1.926 9.035 3.759 1.00 0.40 H new ATOM 0 HE1 MET A 46 -1.015 12.884 3.462 1.00 1.67 H new ATOM 0 HE2 MET A 46 -0.882 11.351 2.567 1.00 1.67 H new ATOM 0 HE3 MET A 46 -2.471 11.914 3.136 1.00 1.67 H new ATOM 687 N GLU A 47 -1.304 5.392 6.728 1.00 0.36 N ATOM 688 CA GLU A 47 -1.092 4.499 7.841 1.00 0.42 C ATOM 689 C GLU A 47 -0.528 3.188 7.335 1.00 0.43 C ATOM 690 O GLU A 47 0.402 2.643 7.927 1.00 0.52 O ATOM 691 CB GLU A 47 -2.387 4.243 8.581 1.00 0.45 C ATOM 692 CG GLU A 47 -2.194 3.399 9.824 1.00 0.62 C ATOM 693 CD GLU A 47 -3.476 3.074 10.508 1.00 1.07 C ATOM 694 OE1 GLU A 47 -3.925 3.871 11.352 1.00 1.29 O ATOM 695 OE2 GLU A 47 -4.050 2.004 10.237 1.00 1.97 O ATOM 0 H GLU A 47 -2.284 5.530 6.483 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.387 4.964 8.530 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -2.835 5.196 8.860 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.089 3.744 7.913 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -1.687 2.473 9.553 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -1.541 3.928 10.519 1.00 0.62 H new ATOM 702 N THR A 48 -1.098 2.700 6.235 1.00 0.39 N ATOM 703 CA THR A 48 -0.628 1.501 5.575 1.00 0.44 C ATOM 704 C THR A 48 0.858 1.658 5.279 1.00 0.45 C ATOM 705 O THR A 48 1.674 0.838 5.711 1.00 0.56 O ATOM 706 CB THR A 48 -1.417 1.305 4.266 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.808 1.346 4.573 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.092 -0.041 3.626 1.00 0.53 C ATOM 0 H THR A 48 -1.902 3.133 5.781 1.00 0.39 H new ATOM 0 HA THR A 48 -0.778 0.629 6.212 1.00 0.44 H new ATOM 0 HB THR A 48 -1.144 2.094 3.565 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.322 1.023 3.804 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.663 -0.153 2.704 1.00 0.53 H new ATOM 0 HG22 THR A 48 -0.026 -0.089 3.401 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.354 -0.844 4.315 1.00 0.53 H new ATOM 716 N ALA A 49 1.198 2.749 4.594 1.00 0.37 N ATOM 717 CA ALA A 49 2.573 3.062 4.265 1.00 0.38 C ATOM 718 C ALA A 49 3.439 3.100 5.524 1.00 0.43 C ATOM 719 O ALA A 49 4.473 2.455 5.577 1.00 0.45 O ATOM 720 CB ALA A 49 2.645 4.385 3.530 1.00 0.36 C ATOM 0 H ALA A 49 0.523 3.435 4.255 1.00 0.37 H new ATOM 0 HA ALA A 49 2.959 2.278 3.614 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.683 4.610 3.288 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.063 4.323 2.610 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.240 5.175 4.163 1.00 0.36 H new ATOM 726 N ALA A 50 2.958 3.800 6.555 1.00 0.47 N ATOM 727 CA ALA A 50 3.682 3.950 7.822 1.00 0.57 C ATOM 728 C ALA A 50 3.967 2.606 8.488 1.00 0.62 C ATOM 729 O ALA A 50 5.069 2.375 9.004 1.00 0.68 O ATOM 730 CB ALA A 50 2.911 4.848 8.776 1.00 0.65 C ATOM 0 H ALA A 50 2.057 4.278 6.536 1.00 0.47 H new ATOM 0 HA ALA A 50 4.641 4.412 7.586 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.464 4.947 9.710 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.782 5.832 8.325 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.934 4.410 8.978 1.00 0.65 H new ATOM 736 N ARG A 51 2.989 1.722 8.470 1.00 0.65 N ATOM 737 CA ARG A 51 3.139 0.417 9.073 1.00 0.76 C ATOM 738 C ARG A 51 4.115 -0.420 8.258 1.00 0.64 C ATOM 739 O ARG A 51 4.979 -1.108 8.807 1.00 0.62 O ATOM 740 CB ARG A 51 1.786 -0.277 9.187 1.00 0.95 C ATOM 741 CG ARG A 51 1.833 -1.591 9.937 1.00 1.23 C ATOM 742 CD ARG A 51 0.454 -2.177 10.084 1.00 0.90 C ATOM 743 NE ARG A 51 0.464 -3.398 10.887 1.00 1.76 N ATOM 744 CZ ARG A 51 -0.544 -3.812 11.670 1.00 2.17 C ATOM 745 NH1 ARG A 51 -1.698 -3.133 11.694 1.00 2.08 N ATOM 746 NH2 ARG A 51 -0.412 -4.910 12.407 1.00 3.21 N ATOM 0 H ARG A 51 2.078 1.887 8.041 1.00 0.65 H new ATOM 0 HA ARG A 51 3.540 0.534 10.080 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.087 0.392 9.689 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.394 -0.455 8.186 1.00 0.95 H new ATOM 0 HG2 ARG A 51 2.476 -2.294 9.407 1.00 1.23 H new ATOM 0 HG3 ARG A 51 2.273 -1.436 10.922 1.00 1.23 H new ATOM 0 HD2 ARG A 51 -0.205 -1.443 10.548 1.00 0.90 H new ATOM 0 HD3 ARG A 51 0.045 -2.395 9.097 1.00 0.90 H new ATOM 0 HE ARG A 51 1.301 -3.980 10.849 1.00 1.76 H new ATOM 0 HH11 ARG A 51 -1.812 -2.300 11.117 1.00 2.08 H new ATOM 0 HH12 ARG A 51 -2.463 -3.449 12.290 1.00 2.08 H new ATOM 0 HH21 ARG A 51 0.458 -5.442 12.379 1.00 3.21 H new ATOM 0 HH22 ARG A 51 -1.181 -5.221 13.001 1.00 3.21 H new ATOM 760 N LEU A 52 4.008 -0.316 6.949 1.00 0.60 N ATOM 761 CA LEU A 52 4.891 -1.023 6.040 1.00 0.55 C ATOM 762 C LEU A 52 6.330 -0.526 6.157 1.00 0.46 C ATOM 763 O LEU A 52 7.275 -1.296 5.942 1.00 0.45 O ATOM 764 CB LEU A 52 4.374 -0.924 4.613 1.00 0.61 C ATOM 765 CG LEU A 52 3.011 -1.579 4.392 1.00 0.76 C ATOM 766 CD1 LEU A 52 2.511 -1.328 2.991 1.00 0.87 C ATOM 767 CD2 LEU A 52 3.094 -3.068 4.674 1.00 0.93 C ATOM 0 H LEU A 52 3.307 0.261 6.484 1.00 0.60 H new ATOM 0 HA LEU A 52 4.898 -2.076 6.322 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.308 0.128 4.335 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.099 -1.386 3.943 1.00 0.61 H new ATOM 0 HG LEU A 52 2.298 -1.132 5.085 1.00 0.76 H new ATOM 0 HD11 LEU A 52 1.540 -1.805 2.860 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.414 -0.255 2.826 1.00 0.87 H new ATOM 0 HD13 LEU A 52 3.218 -1.743 2.273 1.00 0.87 H new ATOM 0 HD21 LEU A 52 2.117 -3.524 4.513 1.00 0.93 H new ATOM 0 HD22 LEU A 52 3.822 -3.525 4.004 1.00 0.93 H new ATOM 0 HD23 LEU A 52 3.402 -3.226 5.707 1.00 0.93 H new ATOM 779 N GLU A 53 6.494 0.753 6.514 1.00 0.45 N ATOM 780 CA GLU A 53 7.812 1.316 6.779 1.00 0.44 C ATOM 781 C GLU A 53 8.486 0.538 7.886 1.00 0.46 C ATOM 782 O GLU A 53 9.642 0.176 7.775 1.00 0.50 O ATOM 783 CB GLU A 53 7.744 2.777 7.194 1.00 0.52 C ATOM 784 CG GLU A 53 7.205 3.719 6.156 1.00 0.44 C ATOM 785 CD GLU A 53 7.279 5.140 6.625 1.00 0.45 C ATOM 786 OE1 GLU A 53 6.354 5.610 7.322 1.00 0.57 O ATOM 787 OE2 GLU A 53 8.282 5.811 6.331 1.00 0.45 O ATOM 0 H GLU A 53 5.725 1.414 6.625 1.00 0.45 H new ATOM 0 HA GLU A 53 8.379 1.248 5.851 1.00 0.44 H new ATOM 0 HB2 GLU A 53 7.124 2.855 8.087 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.746 3.105 7.472 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.771 3.608 5.231 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.170 3.461 5.929 1.00 0.44 H new ATOM 794 N SER A 54 7.734 0.264 8.932 1.00 0.49 N ATOM 795 CA SER A 54 8.220 -0.501 10.053 1.00 0.56 C ATOM 796 C SER A 54 8.428 -1.960 9.625 1.00 0.55 C ATOM 797 O SER A 54 9.524 -2.516 9.762 1.00 0.67 O ATOM 798 CB SER A 54 7.200 -0.416 11.217 1.00 0.67 C ATOM 799 OG SER A 54 7.628 -1.145 12.366 1.00 1.36 O ATOM 0 H SER A 54 6.765 0.569 9.025 1.00 0.49 H new ATOM 0 HA SER A 54 9.174 -0.096 10.392 1.00 0.56 H new ATOM 0 HB2 SER A 54 7.048 0.629 11.488 1.00 0.67 H new ATOM 0 HB3 SER A 54 6.237 -0.802 10.882 1.00 0.67 H new ATOM 0 HG SER A 54 6.956 -1.062 13.075 1.00 1.36 H new ATOM 805 N ARG A 55 7.377 -2.529 9.042 1.00 0.52 N ATOM 806 CA ARG A 55 7.316 -3.929 8.635 1.00 0.57 C ATOM 807 C ARG A 55 8.455 -4.351 7.674 1.00 0.54 C ATOM 808 O ARG A 55 8.957 -5.466 7.765 1.00 0.65 O ATOM 809 CB ARG A 55 5.922 -4.221 8.041 1.00 0.67 C ATOM 810 CG ARG A 55 5.725 -5.621 7.488 1.00 0.77 C ATOM 811 CD ARG A 55 4.312 -5.803 6.949 1.00 0.96 C ATOM 812 NE ARG A 55 4.206 -6.993 6.090 1.00 1.60 N ATOM 813 CZ ARG A 55 3.169 -7.275 5.277 1.00 2.10 C ATOM 814 NH1 ARG A 55 2.042 -6.578 5.353 1.00 1.89 N ATOM 815 NH2 ARG A 55 3.257 -8.287 4.413 1.00 3.10 N ATOM 0 H ARG A 55 6.521 -2.015 8.834 1.00 0.52 H new ATOM 0 HA ARG A 55 7.471 -4.539 9.525 1.00 0.57 H new ATOM 0 HB2 ARG A 55 5.174 -4.046 8.814 1.00 0.67 H new ATOM 0 HB3 ARG A 55 5.729 -3.504 7.243 1.00 0.67 H new ATOM 0 HG2 ARG A 55 6.448 -5.807 6.693 1.00 0.77 H new ATOM 0 HG3 ARG A 55 5.916 -6.355 8.271 1.00 0.77 H new ATOM 0 HD2 ARG A 55 3.614 -5.892 7.781 1.00 0.96 H new ATOM 0 HD3 ARG A 55 4.022 -4.918 6.382 1.00 0.96 H new ATOM 0 HE ARG A 55 4.979 -7.658 6.112 1.00 1.60 H new ATOM 0 HH11 ARG A 55 1.955 -5.821 6.031 1.00 1.89 H new ATOM 0 HH12 ARG A 55 1.263 -6.799 4.733 1.00 1.89 H new ATOM 0 HH21 ARG A 55 4.109 -8.847 4.368 1.00 3.10 H new ATOM 0 HH22 ARG A 55 2.473 -8.501 3.797 1.00 3.10 H new ATOM 829 N TYR A 56 8.857 -3.477 6.766 1.00 0.50 N ATOM 830 CA TYR A 56 9.920 -3.831 5.816 1.00 0.57 C ATOM 831 C TYR A 56 11.194 -3.020 5.979 1.00 0.59 C ATOM 832 O TYR A 56 12.196 -3.312 5.328 1.00 0.73 O ATOM 833 CB TYR A 56 9.427 -3.774 4.369 1.00 0.65 C ATOM 834 CG TYR A 56 8.483 -4.891 4.013 1.00 0.72 C ATOM 835 CD1 TYR A 56 7.119 -4.759 4.197 1.00 0.76 C ATOM 836 CD2 TYR A 56 8.966 -6.091 3.505 1.00 0.89 C ATOM 837 CE1 TYR A 56 6.261 -5.787 3.886 1.00 0.91 C ATOM 838 CE2 TYR A 56 8.113 -7.126 3.189 1.00 1.03 C ATOM 839 CZ TYR A 56 6.761 -6.971 3.388 1.00 1.03 C ATOM 840 OH TYR A 56 5.896 -7.993 3.066 1.00 1.21 O ATOM 0 H TYR A 56 8.479 -2.536 6.660 1.00 0.50 H new ATOM 0 HA TYR A 56 10.183 -4.861 6.059 1.00 0.57 H new ATOM 0 HB2 TYR A 56 8.928 -2.820 4.201 1.00 0.65 H new ATOM 0 HB3 TYR A 56 10.286 -3.807 3.699 1.00 0.65 H new ATOM 0 HD1 TYR A 56 6.722 -3.835 4.591 1.00 0.76 H new ATOM 0 HD2 TYR A 56 10.028 -6.214 3.355 1.00 0.89 H new ATOM 0 HE1 TYR A 56 5.198 -5.667 4.032 1.00 0.91 H new ATOM 0 HE2 TYR A 56 8.503 -8.050 2.789 1.00 1.03 H new ATOM 0 HH TYR A 56 6.406 -8.758 2.727 1.00 1.21 H new ATOM 850 N GLY A 57 11.178 -2.035 6.849 1.00 0.52 N ATOM 851 CA GLY A 57 12.360 -1.203 7.029 1.00 0.56 C ATOM 852 C GLY A 57 12.562 -0.260 5.853 1.00 0.54 C ATOM 853 O GLY A 57 13.602 -0.290 5.178 1.00 0.68 O ATOM 0 H GLY A 57 10.380 -1.789 7.435 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.263 -0.625 7.948 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.239 -1.837 7.143 1.00 0.56 H new ATOM 857 N VAL A 58 11.563 0.558 5.596 1.00 0.47 N ATOM 858 CA VAL A 58 11.590 1.501 4.484 1.00 0.44 C ATOM 859 C VAL A 58 11.200 2.897 4.925 1.00 0.42 C ATOM 860 O VAL A 58 10.823 3.107 6.083 1.00 0.44 O ATOM 861 CB VAL A 58 10.729 1.071 3.249 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.289 -0.173 2.600 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.274 0.848 3.635 1.00 0.43 C ATOM 0 H VAL A 58 10.707 0.592 6.149 1.00 0.47 H new ATOM 0 HA VAL A 58 12.628 1.501 4.151 1.00 0.44 H new ATOM 0 HB VAL A 58 10.771 1.888 2.529 1.00 0.46 H new ATOM 0 HG11 VAL A 58 10.670 -0.448 1.746 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.308 0.019 2.264 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.293 -0.990 3.322 1.00 0.55 H new ATOM 0 HG21 VAL A 58 8.705 0.551 2.754 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.214 0.062 4.388 1.00 0.43 H new ATOM 0 HG23 VAL A 58 8.859 1.771 4.040 1.00 0.43 H new ATOM 873 N SER A 59 11.266 3.832 4.009 1.00 0.43 N ATOM 874 CA SER A 59 10.935 5.197 4.293 1.00 0.48 C ATOM 875 C SER A 59 9.945 5.676 3.252 1.00 0.43 C ATOM 876 O SER A 59 10.282 5.802 2.070 1.00 0.49 O ATOM 877 CB SER A 59 12.200 6.044 4.248 1.00 0.65 C ATOM 878 OG SER A 59 13.206 5.496 5.090 1.00 1.28 O ATOM 0 H SER A 59 11.552 3.662 3.045 1.00 0.43 H new ATOM 0 HA SER A 59 10.493 5.284 5.285 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.568 6.101 3.224 1.00 0.65 H new ATOM 0 HB3 SER A 59 11.972 7.063 4.562 1.00 0.65 H new ATOM 0 HG SER A 59 14.010 6.054 5.045 1.00 1.28 H new ATOM 884 N ILE A 60 8.734 5.878 3.661 1.00 0.39 N ATOM 885 CA ILE A 60 7.697 6.312 2.770 1.00 0.38 C ATOM 886 C ILE A 60 7.099 7.610 3.283 1.00 0.41 C ATOM 887 O ILE A 60 6.463 7.630 4.337 1.00 0.45 O ATOM 888 CB ILE A 60 6.580 5.241 2.624 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.182 3.917 2.124 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.495 5.734 1.662 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.202 2.770 2.054 1.00 0.82 C ATOM 0 H ILE A 60 8.431 5.747 4.626 1.00 0.39 H new ATOM 0 HA ILE A 60 8.140 6.468 1.786 1.00 0.38 H new ATOM 0 HB ILE A 60 6.124 5.071 3.599 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.606 4.077 1.133 1.00 0.45 H new ATOM 0 HG13 ILE A 60 8.005 3.636 2.781 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.719 4.974 1.569 1.00 0.38 H new ATOM 0 HG22 ILE A 60 5.057 6.655 2.048 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.936 5.924 0.683 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.712 1.877 1.692 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.795 2.578 3.047 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.390 3.026 1.373 1.00 0.82 H new ATOM 903 N PRO A 61 7.337 8.718 2.577 1.00 0.48 N ATOM 904 CA PRO A 61 6.772 10.009 2.943 1.00 0.55 C ATOM 905 C PRO A 61 5.247 9.945 2.944 1.00 0.49 C ATOM 906 O PRO A 61 4.624 9.492 1.966 1.00 0.43 O ATOM 907 CB PRO A 61 7.280 10.957 1.858 1.00 0.66 C ATOM 908 CG PRO A 61 8.457 10.268 1.266 1.00 0.70 C ATOM 909 CD PRO A 61 8.174 8.803 1.374 1.00 0.58 C ATOM 0 HA PRO A 61 7.062 10.330 3.944 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.513 11.144 1.107 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.558 11.924 2.277 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.599 10.562 0.226 1.00 0.70 H new ATOM 0 HG3 PRO A 61 9.371 10.529 1.799 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.655 8.426 0.493 1.00 0.58 H new ATOM 0 HD3 PRO A 61 9.090 8.221 1.477 1.00 0.58 H new ATOM 917 N ASP A 62 4.667 10.380 4.037 1.00 0.57 N ATOM 918 CA ASP A 62 3.226 10.306 4.274 1.00 0.56 C ATOM 919 C ASP A 62 2.429 10.997 3.170 1.00 0.48 C ATOM 920 O ASP A 62 1.429 10.463 2.697 1.00 0.46 O ATOM 921 CB ASP A 62 2.857 10.878 5.667 1.00 0.71 C ATOM 922 CG ASP A 62 2.999 12.392 5.800 1.00 1.23 C ATOM 923 OD1 ASP A 62 4.099 12.948 5.533 1.00 1.52 O ATOM 924 OD2 ASP A 62 2.010 13.057 6.163 1.00 1.98 O ATOM 0 H ASP A 62 5.184 10.805 4.807 1.00 0.57 H new ATOM 0 HA ASP A 62 2.953 9.251 4.258 1.00 0.56 H new ATOM 0 HB2 ASP A 62 1.827 10.603 5.895 1.00 0.71 H new ATOM 0 HB3 ASP A 62 3.488 10.402 6.418 1.00 0.71 H new ATOM 929 N ASP A 63 2.929 12.124 2.697 1.00 0.52 N ATOM 930 CA ASP A 63 2.253 12.919 1.662 1.00 0.56 C ATOM 931 C ASP A 63 2.130 12.140 0.346 1.00 0.50 C ATOM 932 O ASP A 63 1.162 12.307 -0.395 1.00 0.60 O ATOM 933 CB ASP A 63 2.967 14.267 1.434 1.00 0.71 C ATOM 934 CG ASP A 63 4.339 14.151 0.801 1.00 1.56 C ATOM 935 OD1 ASP A 63 5.267 13.621 1.448 1.00 2.31 O ATOM 936 OD2 ASP A 63 4.510 14.589 -0.364 1.00 2.20 O ATOM 0 H ASP A 63 3.813 12.522 3.012 1.00 0.52 H new ATOM 0 HA ASP A 63 1.246 13.128 2.022 1.00 0.56 H new ATOM 0 HB2 ASP A 63 2.340 14.894 0.800 1.00 0.71 H new ATOM 0 HB3 ASP A 63 3.064 14.779 2.391 1.00 0.71 H new ATOM 941 N VAL A 64 3.072 11.254 0.106 1.00 0.46 N ATOM 942 CA VAL A 64 3.092 10.421 -1.097 1.00 0.48 C ATOM 943 C VAL A 64 1.962 9.397 -1.043 1.00 0.42 C ATOM 944 O VAL A 64 1.248 9.174 -2.029 1.00 0.46 O ATOM 945 CB VAL A 64 4.437 9.678 -1.191 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.477 8.748 -2.401 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.582 10.662 -1.260 1.00 0.63 C ATOM 0 H VAL A 64 3.854 11.083 0.738 1.00 0.46 H new ATOM 0 HA VAL A 64 2.961 11.061 -1.969 1.00 0.48 H new ATOM 0 HB VAL A 64 4.541 9.071 -0.292 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.440 8.239 -2.437 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.680 8.010 -2.319 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.340 9.330 -3.312 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.525 10.119 -1.326 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.465 11.295 -2.140 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.583 11.283 -0.364 1.00 0.63 H new ATOM 957 N ALA A 65 1.795 8.792 0.122 1.00 0.45 N ATOM 958 CA ALA A 65 0.787 7.763 0.335 1.00 0.46 C ATOM 959 C ALA A 65 -0.624 8.323 0.160 1.00 0.44 C ATOM 960 O ALA A 65 -1.547 7.609 -0.176 1.00 0.51 O ATOM 961 CB ALA A 65 0.951 7.141 1.706 1.00 0.56 C ATOM 0 H ALA A 65 2.355 9.000 0.949 1.00 0.45 H new ATOM 0 HA ALA A 65 0.931 6.989 -0.418 1.00 0.46 H new ATOM 0 HB1 ALA A 65 0.191 6.374 1.851 1.00 0.56 H new ATOM 0 HB2 ALA A 65 1.940 6.691 1.785 1.00 0.56 H new ATOM 0 HB3 ALA A 65 0.840 7.910 2.470 1.00 0.56 H new ATOM 967 N GLY A 66 -0.769 9.618 0.343 1.00 0.48 N ATOM 968 CA GLY A 66 -2.060 10.247 0.166 1.00 0.57 C ATOM 969 C GLY A 66 -2.368 10.543 -1.297 1.00 0.58 C ATOM 970 O GLY A 66 -3.397 11.152 -1.614 1.00 0.91 O ATOM 0 H GLY A 66 -0.016 10.251 0.612 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -2.836 9.599 0.573 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.089 11.176 0.736 1.00 0.57 H new ATOM 974 N ARG A 67 -1.474 10.128 -2.182 1.00 0.43 N ATOM 975 CA ARG A 67 -1.637 10.360 -3.603 1.00 0.48 C ATOM 976 C ARG A 67 -1.711 9.023 -4.384 1.00 0.45 C ATOM 977 O ARG A 67 -1.915 9.019 -5.590 1.00 0.63 O ATOM 978 CB ARG A 67 -0.457 11.206 -4.120 1.00 0.59 C ATOM 979 CG ARG A 67 -0.584 11.647 -5.565 1.00 1.35 C ATOM 980 CD ARG A 67 0.669 12.323 -6.056 1.00 1.46 C ATOM 981 NE ARG A 67 0.578 12.627 -7.480 1.00 2.35 N ATOM 982 CZ ARG A 67 1.573 12.493 -8.365 1.00 2.83 C ATOM 983 NH1 ARG A 67 2.762 12.009 -7.984 1.00 2.42 N ATOM 984 NH2 ARG A 67 1.359 12.823 -9.638 1.00 3.92 N ATOM 0 H ARG A 67 -0.622 9.625 -1.934 1.00 0.43 H new ATOM 0 HA ARG A 67 -2.574 10.894 -3.762 1.00 0.48 H new ATOM 0 HB2 ARG A 67 -0.358 12.091 -3.491 1.00 0.59 H new ATOM 0 HB3 ARG A 67 0.462 10.631 -4.008 1.00 0.59 H new ATOM 0 HG2 ARG A 67 -0.799 10.781 -6.192 1.00 1.35 H new ATOM 0 HG3 ARG A 67 -1.428 12.330 -5.664 1.00 1.35 H new ATOM 0 HD2 ARG A 67 0.834 13.243 -5.494 1.00 1.46 H new ATOM 0 HD3 ARG A 67 1.529 11.679 -5.873 1.00 1.46 H new ATOM 0 HE ARG A 67 -0.317 12.970 -7.830 1.00 2.35 H new ATOM 0 HH11 ARG A 67 2.915 11.739 -7.012 1.00 2.42 H new ATOM 0 HH12 ARG A 67 3.515 11.910 -8.665 1.00 2.42 H new ATOM 0 HH21 ARG A 67 0.446 13.173 -9.928 1.00 3.92 H new ATOM 0 HH22 ARG A 67 2.109 12.726 -10.323 1.00 3.92 H new ATOM 998 N VAL A 68 -1.558 7.895 -3.705 1.00 0.39 N ATOM 999 CA VAL A 68 -1.561 6.602 -4.409 1.00 0.38 C ATOM 1000 C VAL A 68 -2.975 6.213 -4.875 1.00 0.43 C ATOM 1001 O VAL A 68 -3.874 5.988 -4.073 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.873 5.451 -3.595 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.608 5.743 -3.409 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.529 5.222 -2.241 1.00 0.36 C ATOM 0 H VAL A 68 -1.433 7.838 -2.694 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.948 6.741 -5.299 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.996 4.537 -4.176 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.070 4.935 -2.842 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.088 5.823 -4.384 1.00 0.37 H new ATOM 0 HG13 VAL A 68 0.729 6.681 -2.867 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.014 4.415 -1.719 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.468 6.135 -1.648 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.575 4.952 -2.385 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.172 6.240 -6.180 1.00 0.51 N ATOM 1015 CA ASP A 69 -4.474 5.924 -6.784 1.00 0.65 C ATOM 1016 C ASP A 69 -4.724 4.432 -6.821 1.00 0.52 C ATOM 1017 O ASP A 69 -5.814 3.963 -6.497 1.00 0.58 O ATOM 1018 CB ASP A 69 -4.585 6.449 -8.223 1.00 0.86 C ATOM 1019 CG ASP A 69 -4.485 7.941 -8.370 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -5.474 8.633 -8.047 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -3.413 8.450 -8.767 1.00 2.20 O ATOM 0 H ASP A 69 -2.446 6.479 -6.856 1.00 0.51 H new ATOM 0 HA ASP A 69 -5.216 6.415 -6.154 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.800 5.988 -8.822 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -5.538 6.122 -8.639 1.00 0.86 H new ATOM 1026 N THR A 70 -3.728 3.688 -7.239 1.00 0.42 N ATOM 1027 CA THR A 70 -3.871 2.260 -7.407 1.00 0.34 C ATOM 1028 C THR A 70 -2.970 1.508 -6.445 1.00 0.30 C ATOM 1029 O THR A 70 -1.920 2.032 -6.021 1.00 0.33 O ATOM 1030 CB THR A 70 -3.481 1.838 -8.842 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.142 2.290 -9.130 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.446 2.397 -9.870 1.00 0.48 C ATOM 0 H THR A 70 -2.803 4.050 -7.471 1.00 0.42 H new ATOM 0 HA THR A 70 -4.915 2.017 -7.210 1.00 0.34 H new ATOM 0 HB THR A 70 -3.526 0.750 -8.900 1.00 0.40 H new ATOM 0 HG1 THR A 70 -1.894 2.021 -10.039 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.140 2.080 -10.867 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.451 2.028 -9.664 1.00 0.48 H new ATOM 0 HG23 THR A 70 -4.442 3.486 -9.819 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.350 0.271 -6.068 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.494 -0.601 -5.272 1.00 0.33 C ATOM 1042 C PRO A 71 -1.222 -0.931 -6.045 1.00 0.32 C ATOM 1043 O PRO A 71 -0.189 -1.210 -5.464 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.345 -1.859 -5.065 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.741 -1.394 -5.261 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.660 -0.352 -6.328 1.00 0.35 C ATOM 0 HA PRO A 71 -2.178 -0.151 -4.331 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.082 -2.639 -5.779 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.201 -2.277 -4.069 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.391 -2.216 -5.561 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.152 -0.983 -4.339 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.711 -0.788 -7.326 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.474 0.369 -6.253 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.317 -0.848 -7.376 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.182 -1.065 -8.259 1.00 0.39 C ATOM 1056 C ARG A 72 0.879 0.015 -8.003 1.00 0.32 C ATOM 1057 O ARG A 72 2.069 -0.277 -7.929 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.632 -1.013 -9.731 1.00 0.52 C ATOM 1059 CG ARG A 72 0.483 -1.276 -10.729 1.00 0.93 C ATOM 1060 CD ARG A 72 0.022 -1.117 -12.173 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.032 -2.074 -12.565 1.00 1.31 N ATOM 1062 CZ ARG A 72 -0.895 -2.989 -13.547 1.00 1.78 C ATOM 1063 NH1 ARG A 72 0.285 -3.144 -14.156 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -1.930 -3.743 -13.921 1.00 1.99 N ATOM 0 H ARG A 72 -2.185 -0.628 -7.865 1.00 0.34 H new ATOM 0 HA ARG A 72 0.242 -2.049 -8.057 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.423 -1.747 -9.884 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -1.063 -0.033 -9.934 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.308 -0.590 -10.537 1.00 0.93 H new ATOM 0 HG3 ARG A 72 0.867 -2.286 -10.582 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -0.348 -0.102 -12.318 1.00 1.15 H new ATOM 0 HD3 ARG A 72 0.879 -1.241 -12.835 1.00 1.15 H new ATOM 0 HE ARG A 72 -1.919 -2.041 -12.062 1.00 1.31 H new ATOM 0 HH11 ARG A 72 1.082 -2.571 -13.878 1.00 2.53 H new ATOM 0 HH12 ARG A 72 0.389 -3.836 -14.898 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -2.835 -3.630 -13.464 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -1.817 -4.432 -14.664 1.00 1.99 H new ATOM 1078 N GLU A 73 0.413 1.253 -7.850 1.00 0.31 N ATOM 1079 CA GLU A 73 1.268 2.402 -7.585 1.00 0.32 C ATOM 1080 C GLU A 73 1.899 2.263 -6.199 1.00 0.26 C ATOM 1081 O GLU A 73 3.092 2.490 -6.020 1.00 0.30 O ATOM 1082 CB GLU A 73 0.422 3.681 -7.650 1.00 0.45 C ATOM 1083 CG GLU A 73 1.209 4.976 -7.627 1.00 0.53 C ATOM 1084 CD GLU A 73 2.147 5.087 -8.801 1.00 1.09 C ATOM 1085 OE1 GLU A 73 1.676 5.008 -9.972 1.00 1.51 O ATOM 1086 OE2 GLU A 73 3.370 5.216 -8.585 1.00 1.86 O ATOM 0 H GLU A 73 -0.578 1.486 -7.908 1.00 0.31 H new ATOM 0 HA GLU A 73 2.061 2.453 -8.331 1.00 0.32 H new ATOM 0 HB2 GLU A 73 -0.178 3.655 -8.560 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.273 3.681 -6.810 1.00 0.45 H new ATOM 0 HG2 GLU A 73 0.519 5.820 -7.633 1.00 0.53 H new ATOM 0 HG3 GLU A 73 1.779 5.037 -6.700 1.00 0.53 H new ATOM 1093 N LEU A 74 1.081 1.857 -5.240 1.00 0.25 N ATOM 1094 CA LEU A 74 1.511 1.667 -3.858 1.00 0.26 C ATOM 1095 C LEU A 74 2.583 0.551 -3.808 1.00 0.24 C ATOM 1096 O LEU A 74 3.619 0.696 -3.152 1.00 0.27 O ATOM 1097 CB LEU A 74 0.248 1.346 -2.994 1.00 0.29 C ATOM 1098 CG LEU A 74 0.356 1.332 -1.442 1.00 0.33 C ATOM 1099 CD1 LEU A 74 1.106 0.125 -0.914 1.00 1.30 C ATOM 1100 CD2 LEU A 74 0.983 2.621 -0.923 1.00 1.14 C ATOM 0 H LEU A 74 0.095 1.648 -5.397 1.00 0.25 H new ATOM 0 HA LEU A 74 1.974 2.565 -3.450 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.521 2.072 -3.260 1.00 0.29 H new ATOM 0 HB3 LEU A 74 -0.117 0.367 -3.303 1.00 0.29 H new ATOM 0 HG LEU A 74 -0.664 1.261 -1.065 1.00 0.33 H new ATOM 0 HD11 LEU A 74 1.149 0.171 0.174 1.00 1.30 H new ATOM 0 HD12 LEU A 74 0.591 -0.786 -1.219 1.00 1.30 H new ATOM 0 HD13 LEU A 74 2.119 0.121 -1.317 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.046 2.583 0.165 1.00 1.14 H new ATOM 0 HD22 LEU A 74 1.984 2.733 -1.341 1.00 1.14 H new ATOM 0 HD23 LEU A 74 0.369 3.470 -1.221 1.00 1.14 H new ATOM 1112 N LEU A 75 2.329 -0.526 -4.544 1.00 0.22 N ATOM 1113 CA LEU A 75 3.242 -1.660 -4.658 1.00 0.24 C ATOM 1114 C LEU A 75 4.567 -1.205 -5.266 1.00 0.23 C ATOM 1115 O LEU A 75 5.648 -1.512 -4.749 1.00 0.25 O ATOM 1116 CB LEU A 75 2.605 -2.727 -5.568 1.00 0.28 C ATOM 1117 CG LEU A 75 3.383 -4.026 -5.769 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.491 -4.786 -4.472 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.725 -4.885 -6.834 1.00 0.47 C ATOM 0 H LEU A 75 1.472 -0.638 -5.086 1.00 0.22 H new ATOM 0 HA LEU A 75 3.428 -2.075 -3.667 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.626 -2.979 -5.160 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.436 -2.279 -6.547 1.00 0.28 H new ATOM 0 HG LEU A 75 4.389 -3.772 -6.105 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.049 -5.708 -4.636 1.00 0.42 H new ATOM 0 HD12 LEU A 75 4.010 -4.174 -3.734 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.492 -5.026 -4.107 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.294 -5.806 -6.962 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.707 -5.127 -6.528 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.700 -4.340 -7.777 1.00 0.47 H new ATOM 1131 N ASP A 76 4.459 -0.446 -6.347 1.00 0.24 N ATOM 1132 CA ASP A 76 5.612 0.056 -7.095 1.00 0.30 C ATOM 1133 C ASP A 76 6.488 0.945 -6.235 1.00 0.28 C ATOM 1134 O ASP A 76 7.714 0.790 -6.228 1.00 0.31 O ATOM 1135 CB ASP A 76 5.149 0.806 -8.347 1.00 0.40 C ATOM 1136 CG ASP A 76 6.294 1.335 -9.174 1.00 0.57 C ATOM 1137 OD1 ASP A 76 7.142 0.533 -9.613 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.328 2.545 -9.466 1.00 0.64 O ATOM 0 H ASP A 76 3.562 -0.156 -6.736 1.00 0.24 H new ATOM 0 HA ASP A 76 6.211 -0.802 -7.400 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.543 0.139 -8.960 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.508 1.636 -8.050 1.00 0.40 H new ATOM 1143 N LEU A 77 5.848 1.838 -5.494 1.00 0.27 N ATOM 1144 CA LEU A 77 6.520 2.750 -4.571 1.00 0.29 C ATOM 1145 C LEU A 77 7.393 1.990 -3.573 1.00 0.28 C ATOM 1146 O LEU A 77 8.591 2.267 -3.433 1.00 0.33 O ATOM 1147 CB LEU A 77 5.469 3.581 -3.813 1.00 0.32 C ATOM 1148 CG LEU A 77 5.983 4.476 -2.674 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.918 5.562 -3.184 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.820 5.077 -1.909 1.00 0.63 C ATOM 0 H LEU A 77 4.835 1.953 -5.515 1.00 0.27 H new ATOM 0 HA LEU A 77 7.166 3.408 -5.152 1.00 0.29 H new ATOM 0 HB2 LEU A 77 4.951 4.213 -4.534 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.728 2.896 -3.399 1.00 0.32 H new ATOM 0 HG LEU A 77 6.561 3.849 -1.995 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.258 6.172 -2.347 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.778 5.102 -3.671 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.389 6.191 -3.900 1.00 0.96 H new ATOM 0 HD21 LEU A 77 5.200 5.708 -1.106 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.211 5.677 -2.585 1.00 0.63 H new ATOM 0 HD23 LEU A 77 4.211 4.278 -1.485 1.00 0.63 H new ATOM 1162 N ILE A 78 6.802 1.016 -2.915 1.00 0.25 N ATOM 1163 CA ILE A 78 7.502 0.272 -1.895 1.00 0.28 C ATOM 1164 C ILE A 78 8.577 -0.605 -2.515 1.00 0.30 C ATOM 1165 O ILE A 78 9.703 -0.620 -2.039 1.00 0.34 O ATOM 1166 CB ILE A 78 6.540 -0.567 -1.035 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.440 0.338 -0.492 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.300 -1.219 0.126 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.440 -0.365 0.374 1.00 0.51 C ATOM 0 H ILE A 78 5.838 0.722 -3.070 1.00 0.25 H new ATOM 0 HA ILE A 78 7.981 0.994 -1.234 1.00 0.28 H new ATOM 0 HB ILE A 78 6.100 -1.354 -1.647 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.898 1.144 0.081 1.00 0.40 H new ATOM 0 HG13 ILE A 78 4.918 0.800 -1.330 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.609 -1.810 0.727 1.00 0.40 H new ATOM 0 HG22 ILE A 78 8.082 -1.867 -0.269 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.750 -0.444 0.747 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.692 0.349 0.719 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.952 -1.153 -0.200 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.947 -0.803 1.234 1.00 0.51 H new ATOM 1181 N ASN A 79 8.245 -1.307 -3.596 1.00 0.34 N ATOM 1182 CA ASN A 79 9.231 -2.154 -4.289 1.00 0.43 C ATOM 1183 C ASN A 79 10.399 -1.334 -4.802 1.00 0.46 C ATOM 1184 O ASN A 79 11.522 -1.814 -4.854 1.00 0.50 O ATOM 1185 CB ASN A 79 8.620 -2.967 -5.435 1.00 0.55 C ATOM 1186 CG ASN A 79 7.737 -4.111 -4.978 1.00 0.62 C ATOM 1187 OD1 ASN A 79 7.937 -4.680 -3.916 1.00 1.33 O ATOM 1188 ND2 ASN A 79 6.772 -4.468 -5.788 1.00 0.84 N ATOM 0 H ASN A 79 7.314 -1.311 -4.012 1.00 0.34 H new ATOM 0 HA ASN A 79 9.592 -2.862 -3.543 1.00 0.43 H new ATOM 0 HB2 ASN A 79 8.034 -2.300 -6.068 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.425 -3.367 -6.052 1.00 0.55 H new ATOM 0 HD21 ASN A 79 6.158 -5.244 -5.539 1.00 0.84 H new ATOM 0 HD22 ASN A 79 6.634 -3.970 -6.667 1.00 0.84 H new ATOM 1195 N GLY A 80 10.133 -0.079 -5.148 1.00 0.47 N ATOM 1196 CA GLY A 80 11.180 0.826 -5.585 1.00 0.56 C ATOM 1197 C GLY A 80 12.169 1.116 -4.467 1.00 0.55 C ATOM 1198 O GLY A 80 13.343 1.374 -4.709 1.00 0.63 O ATOM 0 H GLY A 80 9.199 0.331 -5.133 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.707 0.391 -6.434 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.735 1.759 -5.930 1.00 0.56 H new ATOM 1202 N ALA A 81 11.693 1.076 -3.246 1.00 0.49 N ATOM 1203 CA ALA A 81 12.540 1.265 -2.084 1.00 0.53 C ATOM 1204 C ALA A 81 13.190 -0.070 -1.696 1.00 0.50 C ATOM 1205 O ALA A 81 14.394 -0.140 -1.442 1.00 0.61 O ATOM 1206 CB ALA A 81 11.727 1.832 -0.921 1.00 0.53 C ATOM 0 H ALA A 81 10.711 0.912 -3.026 1.00 0.49 H new ATOM 0 HA ALA A 81 13.327 1.980 -2.326 1.00 0.53 H new ATOM 0 HB1 ALA A 81 12.376 1.969 -0.056 1.00 0.53 H new ATOM 0 HB2 ALA A 81 11.300 2.793 -1.210 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.924 1.140 -0.667 1.00 0.53 H new ATOM 1212 N LEU A 82 12.384 -1.122 -1.710 1.00 0.42 N ATOM 1213 CA LEU A 82 12.798 -2.486 -1.346 1.00 0.44 C ATOM 1214 C LEU A 82 13.891 -3.036 -2.252 1.00 0.56 C ATOM 1215 O LEU A 82 14.703 -3.871 -1.822 1.00 0.74 O ATOM 1216 CB LEU A 82 11.597 -3.426 -1.370 1.00 0.40 C ATOM 1217 CG LEU A 82 10.539 -3.211 -0.290 1.00 0.38 C ATOM 1218 CD1 LEU A 82 9.362 -4.144 -0.517 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.138 -3.454 1.086 1.00 0.46 C ATOM 0 H LEU A 82 11.402 -1.059 -1.979 1.00 0.42 H new ATOM 0 HA LEU A 82 13.210 -2.427 -0.339 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.114 -3.337 -2.343 1.00 0.40 H new ATOM 0 HB3 LEU A 82 11.964 -4.449 -1.289 1.00 0.40 H new ATOM 0 HG LEU A 82 10.188 -2.181 -0.345 1.00 0.38 H new ATOM 0 HD11 LEU A 82 8.614 -3.982 0.259 1.00 0.45 H new ATOM 0 HD12 LEU A 82 8.921 -3.943 -1.493 1.00 0.45 H new ATOM 0 HD13 LEU A 82 9.705 -5.178 -0.480 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.374 -3.298 1.848 1.00 0.46 H new ATOM 0 HD22 LEU A 82 11.507 -4.478 1.147 1.00 0.46 H new ATOM 0 HD23 LEU A 82 11.963 -2.761 1.251 1.00 0.46 H new ATOM 1231 N ALA A 83 13.905 -2.580 -3.502 1.00 0.56 N ATOM 1232 CA ALA A 83 14.907 -2.991 -4.480 1.00 0.71 C ATOM 1233 C ALA A 83 16.313 -2.702 -3.978 1.00 0.84 C ATOM 1234 O ALA A 83 17.240 -3.471 -4.214 1.00 1.00 O ATOM 1235 CB ALA A 83 14.663 -2.325 -5.817 1.00 0.78 C ATOM 0 H ALA A 83 13.222 -1.915 -3.865 1.00 0.56 H new ATOM 0 HA ALA A 83 14.816 -4.068 -4.618 1.00 0.71 H new ATOM 0 HB1 ALA A 83 15.423 -2.648 -6.528 1.00 0.78 H new ATOM 0 HB2 ALA A 83 13.677 -2.604 -6.188 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.713 -1.243 -5.699 1.00 0.78 H new ATOM 1241 N GLU A 84 16.466 -1.622 -3.250 1.00 0.89 N ATOM 1242 CA GLU A 84 17.729 -1.314 -2.668 1.00 1.12 C ATOM 1243 C GLU A 84 17.613 -1.428 -1.149 1.00 1.10 C ATOM 1244 O GLU A 84 17.564 -0.429 -0.407 1.00 1.37 O ATOM 1245 CB GLU A 84 18.270 0.046 -3.124 1.00 1.34 C ATOM 1246 CG GLU A 84 19.683 0.329 -2.643 1.00 1.96 C ATOM 1247 CD GLU A 84 20.212 1.639 -3.134 1.00 2.48 C ATOM 1248 OE1 GLU A 84 19.830 2.692 -2.576 1.00 2.77 O ATOM 1249 OE2 GLU A 84 21.014 1.643 -4.087 1.00 3.17 O ATOM 0 H GLU A 84 15.726 -0.948 -3.053 1.00 0.89 H new ATOM 0 HA GLU A 84 18.467 -2.036 -3.017 1.00 1.12 H new ATOM 0 HB2 GLU A 84 18.250 0.089 -4.213 1.00 1.34 H new ATOM 0 HB3 GLU A 84 17.607 0.832 -2.761 1.00 1.34 H new ATOM 0 HG2 GLU A 84 19.699 0.322 -1.553 1.00 1.96 H new ATOM 0 HG3 GLU A 84 20.343 -0.472 -2.977 1.00 1.96 H new ATOM 1256 N ALA A 85 17.446 -2.650 -0.728 1.00 1.08 N ATOM 1257 CA ALA A 85 17.349 -3.024 0.662 1.00 1.24 C ATOM 1258 C ALA A 85 17.934 -4.404 0.791 1.00 1.57 C ATOM 1259 O ALA A 85 18.911 -4.605 1.526 1.00 1.86 O ATOM 1260 CB ALA A 85 15.895 -3.012 1.130 1.00 1.36 C ATOM 0 H ALA A 85 17.371 -3.444 -1.363 1.00 1.08 H new ATOM 0 HA ALA A 85 17.891 -2.313 1.286 1.00 1.24 H new ATOM 0 HB1 ALA A 85 15.849 -3.297 2.181 1.00 1.36 H new ATOM 0 HB2 ALA A 85 15.482 -2.011 1.007 1.00 1.36 H new ATOM 0 HB3 ALA A 85 15.316 -3.719 0.536 1.00 1.36 H new