USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 28 LYS NZ :NH3+ -120:sc= 2.33 (180deg=0.363) USER MOD Set 1.2: A 29 HIS : no HE2:sc= 0.545 K(o=4,f=-7!) USER MOD Set 1.3: A 61 THR OG1 : rot 70:sc= 1.14 USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= -0.295 USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 18 CYS SG : rot -138:sc= -0.751 USER MOD Single : A 13 MET CE :methyl -172:sc= -0.0483 (180deg=-0.271) USER MOD Single : A 14 THR OG1 : rot -28:sc= 0.668 USER MOD Single : A 20 HIS : no HD1:sc= -0.743 X(o=-0.74,f=-0.33) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0365) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 27 THR OG1 : rot 2:sc= 0.644 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 150:sc= -1.08 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.88 K(o=1.9,f=-11!) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 0.526 (180deg=0.336) USER MOD Single : A 45 HIS : no HE2:sc= 0.501 K(o=0.5,f=-5.4!) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0685) USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.14) USER MOD Single : A 64 SER OG : rot 83:sc= 1.15 USER MOD Single : A 70 SER OG : rot -67:sc= 0.636 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -3.320 -12.081 -0.995 1.00 1.31 N ATOM 40 CA GLY A 4 -2.145 -11.241 -0.948 1.00 1.66 C ATOM 41 C GLY A 4 -2.482 -10.022 -0.113 1.00 1.53 C ATOM 42 O GLY A 4 -2.633 -8.925 -0.640 1.00 1.99 O ATOM 0 HA2 GLY A 4 -1.305 -11.782 -0.512 1.00 1.66 H new ATOM 0 HA3 GLY A 4 -1.846 -10.945 -1.954 1.00 1.66 H new ATOM 46 N VAL A 5 -2.600 -10.212 1.203 1.00 1.16 N ATOM 47 CA VAL A 5 -2.777 -9.110 2.133 1.00 1.09 C ATOM 48 C VAL A 5 -1.422 -8.445 2.375 1.00 1.19 C ATOM 49 O VAL A 5 -0.715 -8.707 3.357 1.00 1.75 O ATOM 50 CB VAL A 5 -3.531 -9.558 3.400 1.00 1.21 C ATOM 51 CG1 VAL A 5 -2.884 -10.701 4.190 1.00 2.14 C ATOM 52 CG2 VAL A 5 -3.796 -8.365 4.326 1.00 2.45 C ATOM 0 H VAL A 5 -2.575 -11.131 1.645 1.00 1.16 H new ATOM 0 HA VAL A 5 -3.425 -8.343 1.708 1.00 1.09 H new ATOM 0 HB VAL A 5 -4.468 -9.968 3.023 1.00 1.21 H new ATOM 0 HG11 VAL A 5 -3.497 -10.935 5.060 1.00 2.14 H new ATOM 0 HG12 VAL A 5 -2.804 -11.583 3.555 1.00 2.14 H new ATOM 0 HG13 VAL A 5 -1.889 -10.399 4.518 1.00 2.14 H new ATOM 0 HG21 VAL A 5 -4.329 -8.705 5.214 1.00 2.45 H new ATOM 0 HG22 VAL A 5 -2.848 -7.916 4.622 1.00 2.45 H new ATOM 0 HG23 VAL A 5 -4.400 -7.624 3.802 1.00 2.45 H new ATOM 62 N LEU A 6 -1.062 -7.510 1.495 1.00 1.19 N ATOM 63 CA LEU A 6 0.058 -6.630 1.751 1.00 1.42 C ATOM 64 C LEU A 6 -0.395 -5.559 2.728 1.00 1.15 C ATOM 65 O LEU A 6 -0.543 -4.390 2.381 1.00 1.44 O ATOM 66 CB LEU A 6 0.689 -6.088 0.465 1.00 1.61 C ATOM 67 CG LEU A 6 2.159 -5.687 0.681 1.00 1.92 C ATOM 68 CD1 LEU A 6 3.082 -6.902 0.863 1.00 2.09 C ATOM 69 CD2 LEU A 6 2.625 -4.880 -0.531 1.00 3.29 C ATOM 0 H LEU A 6 -1.533 -7.350 0.605 1.00 1.19 H new ATOM 0 HA LEU A 6 0.874 -7.187 2.212 1.00 1.42 H new ATOM 0 HB2 LEU A 6 0.629 -6.844 -0.317 1.00 1.61 H new ATOM 0 HB3 LEU A 6 0.123 -5.224 0.117 1.00 1.61 H new ATOM 0 HG LEU A 6 2.215 -5.099 1.597 1.00 1.92 H new ATOM 0 HD11 LEU A 6 4.107 -6.561 1.012 1.00 2.09 H new ATOM 0 HD12 LEU A 6 2.761 -7.476 1.732 1.00 2.09 H new ATOM 0 HD13 LEU A 6 3.034 -7.532 -0.026 1.00 2.09 H new ATOM 0 HD21 LEU A 6 3.666 -4.587 -0.395 1.00 3.29 H new ATOM 0 HD22 LEU A 6 2.534 -5.489 -1.430 1.00 3.29 H new ATOM 0 HD23 LEU A 6 2.007 -3.988 -0.633 1.00 3.29 H new ATOM 81 N GLU A 7 -0.558 -5.994 3.982 1.00 0.96 N ATOM 82 CA GLU A 7 -0.428 -5.101 5.105 1.00 0.76 C ATOM 83 C GLU A 7 1.046 -4.865 5.360 1.00 0.78 C ATOM 84 O GLU A 7 1.809 -5.831 5.494 1.00 1.36 O ATOM 85 CB GLU A 7 -1.148 -5.589 6.369 1.00 0.94 C ATOM 86 CG GLU A 7 -2.388 -4.706 6.510 1.00 1.39 C ATOM 87 CD GLU A 7 -3.029 -4.725 7.878 1.00 1.97 C ATOM 88 OE1 GLU A 7 -2.291 -4.842 8.877 1.00 2.60 O ATOM 89 OE2 GLU A 7 -4.231 -4.379 7.965 1.00 3.22 O ATOM 0 H GLU A 7 -0.779 -6.958 4.230 1.00 0.96 H new ATOM 0 HA GLU A 7 -0.924 -4.164 4.850 1.00 0.76 H new ATOM 0 HB2 GLU A 7 -1.424 -6.640 6.280 1.00 0.94 H new ATOM 0 HB3 GLU A 7 -0.504 -5.501 7.244 1.00 0.94 H new ATOM 0 HG2 GLU A 7 -2.115 -3.679 6.267 1.00 1.39 H new ATOM 0 HG3 GLU A 7 -3.127 -5.022 5.774 1.00 1.39 H new ATOM 96 N LEU A 8 1.412 -3.584 5.381 1.00 0.58 N ATOM 97 CA LEU A 8 2.749 -3.103 5.637 1.00 0.67 C ATOM 98 C LEU A 8 2.670 -1.746 6.336 1.00 0.62 C ATOM 99 O LEU A 8 1.633 -1.084 6.266 1.00 0.66 O ATOM 100 CB LEU A 8 3.558 -3.093 4.323 1.00 0.95 C ATOM 101 CG LEU A 8 2.920 -2.493 3.059 1.00 0.74 C ATOM 102 CD1 LEU A 8 2.654 -0.997 3.184 1.00 1.86 C ATOM 103 CD2 LEU A 8 3.899 -2.692 1.894 1.00 1.90 C ATOM 0 H LEU A 8 0.748 -2.828 5.211 1.00 0.58 H new ATOM 0 HA LEU A 8 3.286 -3.768 6.314 1.00 0.67 H new ATOM 0 HB2 LEU A 8 4.485 -2.552 4.512 1.00 0.95 H new ATOM 0 HB3 LEU A 8 3.830 -4.124 4.096 1.00 0.95 H new ATOM 0 HG LEU A 8 1.965 -2.995 2.902 1.00 0.74 H new ATOM 0 HD11 LEU A 8 2.203 -0.629 2.262 1.00 1.86 H new ATOM 0 HD12 LEU A 8 1.975 -0.817 4.017 1.00 1.86 H new ATOM 0 HD13 LEU A 8 3.594 -0.474 3.362 1.00 1.86 H new ATOM 0 HD21 LEU A 8 3.470 -2.274 0.983 1.00 1.90 H new ATOM 0 HD22 LEU A 8 4.838 -2.186 2.118 1.00 1.90 H new ATOM 0 HD23 LEU A 8 4.085 -3.757 1.753 1.00 1.90 H new ATOM 115 N VAL A 9 3.757 -1.331 6.994 1.00 0.63 N ATOM 116 CA VAL A 9 3.916 0.021 7.500 1.00 0.66 C ATOM 117 C VAL A 9 4.284 0.872 6.293 1.00 0.61 C ATOM 118 O VAL A 9 5.106 0.464 5.469 1.00 0.74 O ATOM 119 CB VAL A 9 4.998 0.086 8.607 1.00 0.80 C ATOM 120 CG1 VAL A 9 5.927 1.307 8.504 1.00 0.95 C ATOM 121 CG2 VAL A 9 4.364 0.149 10.002 1.00 0.97 C ATOM 0 H VAL A 9 4.555 -1.936 7.188 1.00 0.63 H new ATOM 0 HA VAL A 9 3.002 0.384 7.970 1.00 0.66 H new ATOM 0 HB VAL A 9 5.580 -0.824 8.460 1.00 0.80 H new ATOM 0 HG11 VAL A 9 6.656 1.279 9.314 1.00 0.95 H new ATOM 0 HG12 VAL A 9 6.448 1.288 7.547 1.00 0.95 H new ATOM 0 HG13 VAL A 9 5.337 2.220 8.578 1.00 0.95 H new ATOM 0 HG21 VAL A 9 5.149 0.194 10.757 1.00 0.97 H new ATOM 0 HG22 VAL A 9 3.737 1.038 10.077 1.00 0.97 H new ATOM 0 HG23 VAL A 9 3.754 -0.740 10.165 1.00 0.97 H new ATOM 131 N VAL A 10 3.684 2.057 6.208 1.00 0.58 N ATOM 132 CA VAL A 10 4.117 3.114 5.333 1.00 0.63 C ATOM 133 C VAL A 10 4.537 4.259 6.249 1.00 0.77 C ATOM 134 O VAL A 10 3.825 4.566 7.206 1.00 1.13 O ATOM 135 CB VAL A 10 2.969 3.498 4.391 1.00 0.70 C ATOM 136 CG1 VAL A 10 3.376 4.711 3.564 1.00 2.03 C ATOM 137 CG2 VAL A 10 2.633 2.335 3.456 1.00 1.64 C ATOM 0 H VAL A 10 2.865 2.303 6.764 1.00 0.58 H new ATOM 0 HA VAL A 10 4.951 2.827 4.692 1.00 0.63 H new ATOM 0 HB VAL A 10 2.089 3.735 4.988 1.00 0.70 H new ATOM 0 HG11 VAL A 10 2.561 4.985 2.894 1.00 2.03 H new ATOM 0 HG12 VAL A 10 3.596 5.547 4.228 1.00 2.03 H new ATOM 0 HG13 VAL A 10 4.263 4.470 2.977 1.00 2.03 H new ATOM 0 HG21 VAL A 10 1.816 2.624 2.794 1.00 1.64 H new ATOM 0 HG22 VAL A 10 3.510 2.082 2.861 1.00 1.64 H new ATOM 0 HG23 VAL A 10 2.333 1.469 4.046 1.00 1.64 H new ATOM 147 N ARG A 11 5.681 4.875 5.958 1.00 0.73 N ATOM 148 CA ARG A 11 6.066 6.178 6.462 1.00 0.77 C ATOM 149 C ARG A 11 6.025 7.165 5.291 1.00 0.70 C ATOM 150 O ARG A 11 5.770 6.780 4.149 1.00 1.13 O ATOM 151 CB ARG A 11 7.428 6.106 7.168 1.00 1.05 C ATOM 152 CG ARG A 11 7.377 5.451 8.556 1.00 1.54 C ATOM 153 CD ARG A 11 7.166 6.476 9.684 1.00 2.65 C ATOM 154 NE ARG A 11 5.854 7.133 9.582 1.00 4.18 N ATOM 155 CZ ARG A 11 5.566 8.329 9.045 1.00 5.79 C ATOM 156 NH1 ARG A 11 6.522 9.207 8.721 1.00 6.19 N ATOM 157 NH2 ARG A 11 4.290 8.613 8.784 1.00 7.41 N ATOM 0 H ARG A 11 6.383 4.462 5.345 1.00 0.73 H new ATOM 0 HA ARG A 11 5.371 6.531 7.224 1.00 0.77 H new ATOM 0 HB2 ARG A 11 8.123 5.549 6.540 1.00 1.05 H new ATOM 0 HB3 ARG A 11 7.828 7.115 7.268 1.00 1.05 H new ATOM 0 HG2 ARG A 11 6.570 4.719 8.579 1.00 1.54 H new ATOM 0 HG3 ARG A 11 8.305 4.908 8.732 1.00 1.54 H new ATOM 0 HD2 ARG A 11 7.249 5.977 10.650 1.00 2.65 H new ATOM 0 HD3 ARG A 11 7.954 7.228 9.645 1.00 2.65 H new ATOM 0 HE ARG A 11 5.064 6.615 9.967 1.00 4.18 H new ATOM 0 HH11 ARG A 11 7.502 8.975 8.881 1.00 6.19 H new ATOM 0 HH12 ARG A 11 6.270 10.108 8.314 1.00 6.19 H new ATOM 0 HH21 ARG A 11 3.562 7.929 8.992 1.00 7.41 H new ATOM 0 HH22 ARG A 11 4.041 9.514 8.376 1.00 7.41 H new ATOM 171 N GLY A 12 6.134 8.453 5.611 1.00 0.85 N ATOM 172 CA GLY A 12 5.572 9.528 4.820 1.00 0.83 C ATOM 173 C GLY A 12 4.216 9.854 5.439 1.00 0.98 C ATOM 174 O GLY A 12 4.167 10.171 6.631 1.00 2.48 O ATOM 0 H GLY A 12 6.626 8.777 6.444 1.00 0.85 H new ATOM 0 HA2 GLY A 12 6.224 10.401 4.832 1.00 0.83 H new ATOM 0 HA3 GLY A 12 5.461 9.227 3.778 1.00 0.83 H new ATOM 178 N MET A 13 3.130 9.718 4.665 1.00 0.89 N ATOM 179 CA MET A 13 1.746 9.958 5.073 1.00 0.96 C ATOM 180 C MET A 13 1.602 11.129 6.049 1.00 0.83 C ATOM 181 O MET A 13 1.137 10.951 7.174 1.00 1.23 O ATOM 182 CB MET A 13 1.105 8.680 5.628 1.00 1.46 C ATOM 183 CG MET A 13 0.963 7.601 4.552 1.00 0.80 C ATOM 184 SD MET A 13 -0.142 6.230 4.979 1.00 1.43 S ATOM 185 CE MET A 13 0.553 5.746 6.570 1.00 1.70 C ATOM 0 H MET A 13 3.201 9.423 3.691 1.00 0.89 H new ATOM 0 HA MET A 13 1.204 10.249 4.173 1.00 0.96 H new ATOM 0 HB2 MET A 13 1.711 8.297 6.449 1.00 1.46 H new ATOM 0 HB3 MET A 13 0.123 8.915 6.039 1.00 1.46 H new ATOM 0 HG2 MET A 13 0.600 8.068 3.637 1.00 0.80 H new ATOM 0 HG3 MET A 13 1.951 7.196 4.333 1.00 0.80 H new ATOM 0 HE1 MET A 13 0.081 4.824 6.908 1.00 1.70 H new ATOM 0 HE2 MET A 13 1.626 5.587 6.465 1.00 1.70 H new ATOM 0 HE3 MET A 13 0.373 6.535 7.301 1.00 1.70 H new ATOM 195 N THR A 14 1.995 12.330 5.618 1.00 0.66 N ATOM 196 CA THR A 14 1.973 13.493 6.498 1.00 0.75 C ATOM 197 C THR A 14 0.608 14.193 6.531 1.00 0.86 C ATOM 198 O THR A 14 0.431 15.071 7.375 1.00 1.31 O ATOM 199 CB THR A 14 3.140 14.449 6.193 1.00 0.84 C ATOM 200 OG1 THR A 14 3.163 15.505 7.133 1.00 1.51 O ATOM 201 CG2 THR A 14 3.105 15.030 4.779 1.00 0.98 C ATOM 0 H THR A 14 2.329 12.519 4.673 1.00 0.66 H new ATOM 0 HA THR A 14 2.124 13.128 7.514 1.00 0.75 H new ATOM 0 HB THR A 14 4.047 13.849 6.266 1.00 0.84 H new ATOM 0 HG1 THR A 14 2.255 15.668 7.464 1.00 1.51 H new ATOM 0 HG21 THR A 14 3.958 15.694 4.637 1.00 0.98 H new ATOM 0 HG22 THR A 14 3.151 14.220 4.051 1.00 0.98 H new ATOM 0 HG23 THR A 14 2.181 15.591 4.639 1.00 0.98 H new ATOM 209 N CYS A 15 -0.343 13.842 5.654 1.00 0.59 N ATOM 210 CA CYS A 15 -1.704 14.361 5.706 1.00 0.56 C ATOM 211 C CYS A 15 -2.622 13.486 4.854 1.00 0.46 C ATOM 212 O CYS A 15 -2.153 12.621 4.109 1.00 0.45 O ATOM 213 CB CYS A 15 -1.753 15.826 5.245 1.00 0.62 C ATOM 214 SG CYS A 15 -1.504 16.088 3.471 1.00 0.71 S ATOM 0 H CYS A 15 -0.183 13.187 4.888 1.00 0.59 H new ATOM 0 HA CYS A 15 -2.052 14.333 6.739 1.00 0.56 H new ATOM 0 HB2 CYS A 15 -2.719 16.246 5.525 1.00 0.62 H new ATOM 0 HB3 CYS A 15 -0.992 16.386 5.789 1.00 0.62 H new ATOM 0 HG CYS A 15 -1.570 17.359 3.207 1.00 0.71 H new ATOM 219 N ALA A 16 -3.932 13.739 4.943 1.00 0.46 N ATOM 220 CA ALA A 16 -4.961 13.053 4.170 1.00 0.48 C ATOM 221 C ALA A 16 -4.598 12.988 2.684 1.00 0.47 C ATOM 222 O ALA A 16 -4.761 11.953 2.037 1.00 0.55 O ATOM 223 CB ALA A 16 -6.302 13.764 4.365 1.00 0.57 C ATOM 0 H ALA A 16 -4.311 14.446 5.573 1.00 0.46 H new ATOM 0 HA ALA A 16 -5.037 12.027 4.530 1.00 0.48 H new ATOM 0 HB1 ALA A 16 -7.072 13.253 3.788 1.00 0.57 H new ATOM 0 HB2 ALA A 16 -6.571 13.750 5.421 1.00 0.57 H new ATOM 0 HB3 ALA A 16 -6.219 14.796 4.025 1.00 0.57 H new ATOM 229 N SER A 17 -4.096 14.101 2.143 1.00 0.47 N ATOM 230 CA SER A 17 -3.716 14.207 0.747 1.00 0.53 C ATOM 231 C SER A 17 -2.534 13.302 0.388 1.00 0.52 C ATOM 232 O SER A 17 -2.397 12.948 -0.782 1.00 0.74 O ATOM 233 CB SER A 17 -3.428 15.671 0.411 1.00 0.77 C ATOM 234 OG SER A 17 -4.478 16.480 0.908 1.00 1.63 O ATOM 0 H SER A 17 -3.943 14.958 2.674 1.00 0.47 H new ATOM 0 HA SER A 17 -4.551 13.857 0.140 1.00 0.53 H new ATOM 0 HB2 SER A 17 -2.479 15.977 0.850 1.00 0.77 H new ATOM 0 HB3 SER A 17 -3.336 15.797 -0.668 1.00 0.77 H new ATOM 0 HG SER A 17 -4.296 17.419 0.696 1.00 1.63 H new ATOM 240 N CYS A 18 -1.667 12.952 1.347 1.00 0.48 N ATOM 241 CA CYS A 18 -0.738 11.842 1.178 1.00 0.58 C ATOM 242 C CYS A 18 -1.475 10.513 1.268 1.00 0.64 C ATOM 243 O CYS A 18 -1.399 9.699 0.351 1.00 0.70 O ATOM 244 CB CYS A 18 0.387 11.894 2.213 1.00 0.72 C ATOM 245 SG CYS A 18 1.439 13.360 2.157 1.00 0.82 S ATOM 0 H CYS A 18 -1.594 13.426 2.247 1.00 0.48 H new ATOM 0 HA CYS A 18 -0.290 11.932 0.189 1.00 0.58 H new ATOM 0 HB2 CYS A 18 -0.056 11.825 3.207 1.00 0.72 H new ATOM 0 HB3 CYS A 18 1.016 11.013 2.083 1.00 0.72 H new ATOM 0 HG CYS A 18 2.681 13.010 2.318 1.00 0.82 H new ATOM 250 N VAL A 19 -2.159 10.289 2.395 1.00 0.75 N ATOM 251 CA VAL A 19 -2.843 9.037 2.700 1.00 0.93 C ATOM 252 C VAL A 19 -3.602 8.543 1.468 1.00 0.96 C ATOM 253 O VAL A 19 -3.260 7.502 0.906 1.00 1.11 O ATOM 254 CB VAL A 19 -3.747 9.224 3.934 1.00 1.00 C ATOM 255 CG1 VAL A 19 -4.644 8.013 4.211 1.00 1.19 C ATOM 256 CG2 VAL A 19 -2.894 9.464 5.185 1.00 1.09 C ATOM 0 H VAL A 19 -2.252 10.988 3.132 1.00 0.75 H new ATOM 0 HA VAL A 19 -2.119 8.263 2.953 1.00 0.93 H new ATOM 0 HB VAL A 19 -4.381 10.082 3.711 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -5.256 8.207 5.092 1.00 1.19 H new ATOM 0 HG12 VAL A 19 -5.291 7.835 3.352 1.00 1.19 H new ATOM 0 HG13 VAL A 19 -4.024 7.134 4.386 1.00 1.19 H new ATOM 0 HG21 VAL A 19 -3.545 9.595 6.050 1.00 1.09 H new ATOM 0 HG22 VAL A 19 -2.240 8.608 5.349 1.00 1.09 H new ATOM 0 HG23 VAL A 19 -2.290 10.361 5.047 1.00 1.09 H new ATOM 266 N HIS A 20 -4.593 9.305 0.998 1.00 0.89 N ATOM 267 CA HIS A 20 -5.436 8.809 -0.081 1.00 1.04 C ATOM 268 C HIS A 20 -4.684 8.675 -1.423 1.00 1.01 C ATOM 269 O HIS A 20 -5.202 8.112 -2.388 1.00 0.88 O ATOM 270 CB HIS A 20 -6.775 9.559 -0.160 1.00 1.13 C ATOM 271 CG HIS A 20 -6.755 10.908 -0.826 1.00 1.02 C ATOM 272 ND1 HIS A 20 -7.853 11.599 -1.280 1.00 1.24 N ATOM 273 CD2 HIS A 20 -5.646 11.609 -1.198 1.00 1.04 C ATOM 274 CE1 HIS A 20 -7.403 12.697 -1.912 1.00 1.12 C ATOM 275 NE2 HIS A 20 -6.061 12.747 -1.892 1.00 1.06 N ATOM 0 H HIS A 20 -4.823 10.239 1.338 1.00 0.89 H new ATOM 0 HA HIS A 20 -5.705 7.782 0.168 1.00 1.04 H new ATOM 0 HB2 HIS A 20 -7.488 8.928 -0.691 1.00 1.13 H new ATOM 0 HB3 HIS A 20 -7.155 9.686 0.854 1.00 1.13 H new ATOM 0 HD2 HIS A 20 -4.623 11.332 -0.991 1.00 1.04 H new ATOM 0 HE1 HIS A 20 -8.036 13.440 -2.374 1.00 1.12 H new ATOM 0 HE2 HIS A 20 -5.467 13.469 -2.300 1.00 1.06 H new ATOM 283 N LYS A 21 -3.461 9.211 -1.513 1.00 1.14 N ATOM 284 CA LYS A 21 -2.659 9.185 -2.721 1.00 1.06 C ATOM 285 C LYS A 21 -2.209 7.753 -2.955 1.00 0.99 C ATOM 286 O LYS A 21 -2.221 7.275 -4.084 1.00 0.97 O ATOM 287 CB LYS A 21 -1.450 10.115 -2.554 1.00 1.21 C ATOM 288 CG LYS A 21 -0.999 10.771 -3.859 1.00 0.61 C ATOM 289 CD LYS A 21 0.230 11.640 -3.550 1.00 1.15 C ATOM 290 CE LYS A 21 0.512 12.681 -4.640 1.00 1.73 C ATOM 291 NZ LYS A 21 -0.481 13.776 -4.622 1.00 3.10 N ATOM 0 H LYS A 21 -3.003 9.680 -0.732 1.00 1.14 H new ATOM 0 HA LYS A 21 -3.237 9.532 -3.578 1.00 1.06 H new ATOM 0 HB2 LYS A 21 -1.698 10.893 -1.832 1.00 1.21 H new ATOM 0 HB3 LYS A 21 -0.619 9.546 -2.137 1.00 1.21 H new ATOM 0 HG2 LYS A 21 -0.753 10.013 -4.602 1.00 0.61 H new ATOM 0 HG3 LYS A 21 -1.801 11.379 -4.277 1.00 0.61 H new ATOM 0 HD2 LYS A 21 0.079 12.149 -2.598 1.00 1.15 H new ATOM 0 HD3 LYS A 21 1.103 10.998 -3.433 1.00 1.15 H new ATOM 0 HE2 LYS A 21 1.511 13.094 -4.499 1.00 1.73 H new ATOM 0 HE3 LYS A 21 0.502 12.197 -5.617 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -0.183 14.526 -5.279 1.00 3.10 H new ATOM 0 HZ2 LYS A 21 -1.409 13.408 -4.914 1.00 3.10 H new ATOM 0 HZ3 LYS A 21 -0.551 14.166 -3.660 1.00 3.10 H new ATOM 305 N ILE A 22 -1.821 7.073 -1.874 1.00 0.99 N ATOM 306 CA ILE A 22 -1.404 5.683 -1.910 1.00 0.98 C ATOM 307 C ILE A 22 -2.528 4.863 -2.538 1.00 0.93 C ATOM 308 O ILE A 22 -2.362 4.293 -3.618 1.00 0.88 O ATOM 309 CB ILE A 22 -1.058 5.224 -0.481 1.00 0.98 C ATOM 310 CG1 ILE A 22 0.175 5.996 0.016 1.00 1.05 C ATOM 311 CG2 ILE A 22 -0.811 3.710 -0.446 1.00 1.04 C ATOM 312 CD1 ILE A 22 0.345 5.918 1.530 1.00 1.10 C ATOM 0 H ILE A 22 -1.790 7.484 -0.941 1.00 0.99 H new ATOM 0 HA ILE A 22 -0.509 5.546 -2.516 1.00 0.98 H new ATOM 0 HB ILE A 22 -1.898 5.436 0.181 1.00 0.98 H new ATOM 0 HG12 ILE A 22 1.067 5.598 -0.467 1.00 1.05 H new ATOM 0 HG13 ILE A 22 0.090 7.041 -0.283 1.00 1.05 H new ATOM 0 HG21 ILE A 22 -0.568 3.404 0.572 1.00 1.04 H new ATOM 0 HG22 ILE A 22 -1.708 3.187 -0.777 1.00 1.04 H new ATOM 0 HG23 ILE A 22 0.019 3.461 -1.107 1.00 1.04 H new ATOM 0 HD11 ILE A 22 1.231 6.480 1.826 1.00 1.10 H new ATOM 0 HD12 ILE A 22 -0.533 6.342 2.017 1.00 1.10 H new ATOM 0 HD13 ILE A 22 0.459 4.876 1.830 1.00 1.10 H new ATOM 324 N GLU A 23 -3.686 4.846 -1.874 1.00 0.93 N ATOM 325 CA GLU A 23 -4.849 4.108 -2.332 1.00 0.84 C ATOM 326 C GLU A 23 -5.187 4.485 -3.772 1.00 0.70 C ATOM 327 O GLU A 23 -5.179 3.619 -4.645 1.00 0.72 O ATOM 328 CB GLU A 23 -6.043 4.249 -1.372 1.00 0.99 C ATOM 329 CG GLU A 23 -6.113 5.498 -0.504 1.00 1.75 C ATOM 330 CD GLU A 23 -7.279 5.433 0.475 1.00 2.37 C ATOM 331 OE1 GLU A 23 -7.289 4.480 1.285 1.00 2.96 O ATOM 332 OE2 GLU A 23 -8.131 6.342 0.397 1.00 3.30 O ATOM 0 H GLU A 23 -3.837 5.349 -0.999 1.00 0.93 H new ATOM 0 HA GLU A 23 -4.603 3.046 -2.327 1.00 0.84 H new ATOM 0 HB2 GLU A 23 -6.957 4.202 -1.965 1.00 0.99 H new ATOM 0 HB3 GLU A 23 -6.046 3.382 -0.712 1.00 0.99 H new ATOM 0 HG2 GLU A 23 -5.180 5.612 0.047 1.00 1.75 H new ATOM 0 HG3 GLU A 23 -6.218 6.378 -1.139 1.00 1.75 H new ATOM 339 N SER A 24 -5.429 5.772 -4.030 1.00 0.68 N ATOM 340 CA SER A 24 -5.772 6.266 -5.358 1.00 0.68 C ATOM 341 C SER A 24 -4.764 5.787 -6.412 1.00 0.67 C ATOM 342 O SER A 24 -5.139 5.254 -7.459 1.00 0.74 O ATOM 343 CB SER A 24 -5.875 7.797 -5.312 1.00 0.88 C ATOM 344 OG SER A 24 -6.273 8.316 -6.566 1.00 1.12 O ATOM 0 H SER A 24 -5.391 6.501 -3.318 1.00 0.68 H new ATOM 0 HA SER A 24 -6.739 5.860 -5.656 1.00 0.68 H new ATOM 0 HB2 SER A 24 -6.593 8.094 -4.547 1.00 0.88 H new ATOM 0 HB3 SER A 24 -4.912 8.221 -5.028 1.00 0.88 H new ATOM 0 HG SER A 24 -6.333 9.293 -6.512 1.00 1.12 H new ATOM 350 N SER A 25 -3.468 5.946 -6.129 1.00 0.67 N ATOM 351 CA SER A 25 -2.410 5.688 -7.091 1.00 0.67 C ATOM 352 C SER A 25 -2.318 4.193 -7.327 1.00 0.73 C ATOM 353 O SER A 25 -1.994 3.748 -8.424 1.00 1.08 O ATOM 354 CB SER A 25 -1.073 6.239 -6.591 1.00 0.70 C ATOM 355 OG SER A 25 -0.078 6.105 -7.589 1.00 1.35 O ATOM 0 H SER A 25 -3.129 6.259 -5.219 1.00 0.67 H new ATOM 0 HA SER A 25 -2.642 6.193 -8.029 1.00 0.67 H new ATOM 0 HB2 SER A 25 -1.184 7.289 -6.319 1.00 0.70 H new ATOM 0 HB3 SER A 25 -0.767 5.707 -5.690 1.00 0.70 H new ATOM 0 HG SER A 25 0.800 6.313 -7.206 1.00 1.35 H new ATOM 361 N LEU A 26 -2.592 3.392 -6.304 1.00 0.59 N ATOM 362 CA LEU A 26 -2.650 1.965 -6.483 1.00 0.74 C ATOM 363 C LEU A 26 -3.883 1.559 -7.302 1.00 0.77 C ATOM 364 O LEU A 26 -3.759 0.751 -8.215 1.00 0.88 O ATOM 365 CB LEU A 26 -2.625 1.280 -5.127 1.00 0.98 C ATOM 366 CG LEU A 26 -1.264 1.297 -4.420 1.00 0.82 C ATOM 367 CD1 LEU A 26 -1.455 0.921 -2.947 1.00 2.22 C ATOM 368 CD2 LEU A 26 -0.277 0.314 -5.054 1.00 2.19 C ATOM 0 H LEU A 26 -2.775 3.713 -5.353 1.00 0.59 H new ATOM 0 HA LEU A 26 -1.776 1.642 -7.049 1.00 0.74 H new ATOM 0 HB2 LEU A 26 -3.360 1.759 -4.480 1.00 0.98 H new ATOM 0 HB3 LEU A 26 -2.939 0.244 -5.254 1.00 0.98 H new ATOM 0 HG LEU A 26 -0.853 2.302 -4.516 1.00 0.82 H new ATOM 0 HD11 LEU A 26 -0.490 0.932 -2.441 1.00 2.22 H new ATOM 0 HD12 LEU A 26 -2.122 1.640 -2.472 1.00 2.22 H new ATOM 0 HD13 LEU A 26 -1.889 -0.077 -2.879 1.00 2.22 H new ATOM 0 HD21 LEU A 26 0.673 0.359 -4.522 1.00 2.19 H new ATOM 0 HD22 LEU A 26 -0.680 -0.697 -4.992 1.00 2.19 H new ATOM 0 HD23 LEU A 26 -0.121 0.579 -6.100 1.00 2.19 H new ATOM 380 N THR A 27 -5.071 2.096 -7.010 1.00 0.77 N ATOM 381 CA THR A 27 -6.328 1.589 -7.570 1.00 0.79 C ATOM 382 C THR A 27 -6.412 1.577 -9.108 1.00 0.80 C ATOM 383 O THR A 27 -7.274 0.896 -9.655 1.00 1.09 O ATOM 384 CB THR A 27 -7.528 2.308 -6.934 1.00 0.92 C ATOM 385 OG1 THR A 27 -7.345 3.710 -6.887 1.00 2.25 O ATOM 386 CG2 THR A 27 -7.798 1.802 -5.513 1.00 1.40 C ATOM 0 H THR A 27 -5.189 2.891 -6.382 1.00 0.77 H new ATOM 0 HA THR A 27 -6.356 0.532 -7.304 1.00 0.79 H new ATOM 0 HB THR A 27 -8.383 2.083 -7.571 1.00 0.92 H new ATOM 0 HG1 THR A 27 -6.489 3.942 -7.303 1.00 2.25 H new ATOM 0 HG21 THR A 27 -8.653 2.332 -5.094 1.00 1.40 H new ATOM 0 HG22 THR A 27 -8.012 0.734 -5.542 1.00 1.40 H new ATOM 0 HG23 THR A 27 -6.921 1.979 -4.891 1.00 1.40 H new ATOM 394 N LYS A 28 -5.532 2.288 -9.824 1.00 0.89 N ATOM 395 CA LYS A 28 -5.411 2.119 -11.274 1.00 0.90 C ATOM 396 C LYS A 28 -5.052 0.675 -11.661 1.00 0.90 C ATOM 397 O LYS A 28 -5.495 0.185 -12.699 1.00 1.09 O ATOM 398 CB LYS A 28 -4.401 3.110 -11.880 1.00 1.15 C ATOM 399 CG LYS A 28 -3.109 3.229 -11.064 1.00 1.55 C ATOM 400 CD LYS A 28 -1.872 3.636 -11.888 1.00 2.83 C ATOM 401 CE LYS A 28 -0.667 2.735 -11.568 1.00 4.33 C ATOM 402 NZ LYS A 28 -0.219 2.843 -10.161 1.00 5.49 N ATOM 0 H LYS A 28 -4.898 2.981 -9.425 1.00 0.89 H new ATOM 0 HA LYS A 28 -6.393 2.338 -11.693 1.00 0.90 H new ATOM 0 HB2 LYS A 28 -4.155 2.794 -12.894 1.00 1.15 H new ATOM 0 HB3 LYS A 28 -4.867 4.093 -11.956 1.00 1.15 H new ATOM 0 HG2 LYS A 28 -3.260 3.962 -10.272 1.00 1.55 H new ATOM 0 HG3 LYS A 28 -2.910 2.273 -10.580 1.00 1.55 H new ATOM 0 HD2 LYS A 28 -2.104 3.573 -12.951 1.00 2.83 H new ATOM 0 HD3 LYS A 28 -1.618 4.675 -11.678 1.00 2.83 H new ATOM 0 HE2 LYS A 28 -0.929 1.699 -11.781 1.00 4.33 H new ATOM 0 HE3 LYS A 28 0.160 2.997 -12.228 1.00 4.33 H new ATOM 0 HZ1 LYS A 28 0.768 3.170 -10.135 1.00 5.49 H new ATOM 0 HZ2 LYS A 28 -0.822 3.523 -9.656 1.00 5.49 H new ATOM 0 HZ3 LYS A 28 -0.287 1.912 -9.702 1.00 5.49 H new ATOM 416 N HIS A 29 -4.218 -0.001 -10.863 1.00 0.84 N ATOM 417 CA HIS A 29 -3.869 -1.391 -11.110 1.00 1.02 C ATOM 418 C HIS A 29 -5.114 -2.251 -10.909 1.00 1.20 C ATOM 419 O HIS A 29 -5.839 -2.062 -9.939 1.00 2.06 O ATOM 420 CB HIS A 29 -2.788 -1.869 -10.131 1.00 1.11 C ATOM 421 CG HIS A 29 -1.528 -1.045 -10.101 1.00 1.20 C ATOM 422 ND1 HIS A 29 -0.515 -1.054 -11.031 1.00 1.96 N ATOM 423 CD2 HIS A 29 -1.097 -0.301 -9.038 1.00 1.21 C ATOM 424 CE1 HIS A 29 0.483 -0.302 -10.535 1.00 2.02 C ATOM 425 NE2 HIS A 29 0.152 0.234 -9.352 1.00 1.52 N ATOM 0 H HIS A 29 -3.774 0.401 -10.038 1.00 0.84 H new ATOM 0 HA HIS A 29 -3.488 -1.479 -12.128 1.00 1.02 H new ATOM 0 HB2 HIS A 29 -3.214 -1.886 -9.128 1.00 1.11 H new ATOM 0 HB3 HIS A 29 -2.523 -2.896 -10.383 1.00 1.11 H new ATOM 0 HD1 HIS A 29 -0.520 -1.540 -11.928 1.00 1.96 H new ATOM 0 HD2 HIS A 29 -1.633 -0.153 -8.112 1.00 1.21 H new ATOM 0 HE1 HIS A 29 1.432 -0.149 -11.028 1.00 2.02 H new ATOM 433 N ARG A 30 -5.323 -3.238 -11.781 1.00 1.10 N ATOM 434 CA ARG A 30 -6.339 -4.264 -11.568 1.00 1.16 C ATOM 435 C ARG A 30 -5.747 -5.481 -10.846 1.00 1.10 C ATOM 436 O ARG A 30 -6.478 -6.401 -10.494 1.00 1.90 O ATOM 437 CB ARG A 30 -6.975 -4.643 -12.911 1.00 1.58 C ATOM 438 CG ARG A 30 -7.616 -3.409 -13.563 1.00 2.04 C ATOM 439 CD ARG A 30 -8.318 -3.775 -14.874 1.00 2.88 C ATOM 440 NE ARG A 30 -8.891 -2.575 -15.504 1.00 3.87 N ATOM 441 CZ ARG A 30 -9.545 -2.556 -16.676 1.00 5.00 C ATOM 442 NH1 ARG A 30 -9.726 -3.694 -17.354 1.00 5.46 N ATOM 443 NH2 ARG A 30 -10.015 -1.401 -17.163 1.00 6.25 N ATOM 0 H ARG A 30 -4.796 -3.347 -12.648 1.00 1.10 H new ATOM 0 HA ARG A 30 -7.122 -3.868 -10.921 1.00 1.16 H new ATOM 0 HB2 ARG A 30 -6.218 -5.062 -13.574 1.00 1.58 H new ATOM 0 HB3 ARG A 30 -7.729 -5.416 -12.759 1.00 1.58 H new ATOM 0 HG2 ARG A 30 -8.335 -2.963 -12.875 1.00 2.04 H new ATOM 0 HG3 ARG A 30 -6.850 -2.657 -13.755 1.00 2.04 H new ATOM 0 HD2 ARG A 30 -7.608 -4.246 -15.554 1.00 2.88 H new ATOM 0 HD3 ARG A 30 -9.106 -4.503 -14.681 1.00 2.88 H new ATOM 0 HE ARG A 30 -8.783 -1.688 -15.012 1.00 3.87 H new ATOM 0 HH11 ARG A 30 -9.368 -4.573 -16.980 1.00 5.46 H new ATOM 0 HH12 ARG A 30 -10.223 -3.683 -18.245 1.00 5.46 H new ATOM 0 HH21 ARG A 30 -9.876 -0.534 -16.643 1.00 6.25 H new ATOM 0 HH22 ARG A 30 -10.512 -1.388 -18.054 1.00 6.25 H new ATOM 457 N GLY A 31 -4.425 -5.495 -10.632 1.00 0.74 N ATOM 458 CA GLY A 31 -3.762 -6.531 -9.856 1.00 0.71 C ATOM 459 C GLY A 31 -3.998 -6.349 -8.359 1.00 0.67 C ATOM 460 O GLY A 31 -4.039 -7.329 -7.611 1.00 0.97 O ATOM 0 H GLY A 31 -3.791 -4.784 -10.996 1.00 0.74 H new ATOM 0 HA2 GLY A 31 -4.128 -7.510 -10.166 1.00 0.71 H new ATOM 0 HA3 GLY A 31 -2.692 -6.511 -10.061 1.00 0.71 H new ATOM 464 N ILE A 32 -4.160 -5.092 -7.924 1.00 0.70 N ATOM 465 CA ILE A 32 -4.627 -4.809 -6.579 1.00 0.68 C ATOM 466 C ILE A 32 -6.142 -5.016 -6.590 1.00 0.71 C ATOM 467 O ILE A 32 -6.798 -4.788 -7.606 1.00 1.01 O ATOM 468 CB ILE A 32 -4.154 -3.429 -6.066 1.00 0.79 C ATOM 469 CG1 ILE A 32 -4.966 -2.213 -6.539 1.00 1.54 C ATOM 470 CG2 ILE A 32 -2.664 -3.223 -6.364 1.00 1.57 C ATOM 471 CD1 ILE A 32 -6.324 -2.088 -5.836 1.00 2.46 C ATOM 0 H ILE A 32 -3.973 -4.264 -8.489 1.00 0.70 H new ATOM 0 HA ILE A 32 -4.187 -5.490 -5.850 1.00 0.68 H new ATOM 0 HB ILE A 32 -4.331 -3.472 -4.991 1.00 0.79 H new ATOM 0 HG12 ILE A 32 -4.387 -1.306 -6.363 1.00 1.54 H new ATOM 0 HG13 ILE A 32 -5.125 -2.286 -7.615 1.00 1.54 H new ATOM 0 HG21 ILE A 32 -2.351 -2.246 -5.995 1.00 1.57 H new ATOM 0 HG22 ILE A 32 -2.083 -4.001 -5.869 1.00 1.57 H new ATOM 0 HG23 ILE A 32 -2.498 -3.275 -7.440 1.00 1.57 H new ATOM 0 HD11 ILE A 32 -6.849 -1.211 -6.213 1.00 2.46 H new ATOM 0 HD12 ILE A 32 -6.919 -2.980 -6.033 1.00 2.46 H new ATOM 0 HD13 ILE A 32 -6.170 -1.985 -4.762 1.00 2.46 H new ATOM 483 N LEU A 33 -6.678 -5.491 -5.471 1.00 0.56 N ATOM 484 CA LEU A 33 -8.074 -5.845 -5.276 1.00 0.61 C ATOM 485 C LEU A 33 -8.724 -4.834 -4.333 1.00 0.60 C ATOM 486 O LEU A 33 -9.880 -4.465 -4.527 1.00 0.72 O ATOM 487 CB LEU A 33 -8.166 -7.261 -4.685 1.00 0.68 C ATOM 488 CG LEU A 33 -7.485 -8.339 -5.547 1.00 1.06 C ATOM 489 CD1 LEU A 33 -7.464 -9.666 -4.782 1.00 1.91 C ATOM 490 CD2 LEU A 33 -8.189 -8.530 -6.895 1.00 1.45 C ATOM 0 H LEU A 33 -6.118 -5.647 -4.633 1.00 0.56 H new ATOM 0 HA LEU A 33 -8.598 -5.828 -6.232 1.00 0.61 H new ATOM 0 HB2 LEU A 33 -7.712 -7.261 -3.694 1.00 0.68 H new ATOM 0 HB3 LEU A 33 -9.216 -7.523 -4.555 1.00 0.68 H new ATOM 0 HG LEU A 33 -6.468 -8.006 -5.753 1.00 1.06 H new ATOM 0 HD11 LEU A 33 -6.982 -10.430 -5.392 1.00 1.91 H new ATOM 0 HD12 LEU A 33 -6.910 -9.541 -3.852 1.00 1.91 H new ATOM 0 HD13 LEU A 33 -8.486 -9.973 -4.557 1.00 1.91 H new ATOM 0 HD21 LEU A 33 -7.673 -9.300 -7.469 1.00 1.45 H new ATOM 0 HD22 LEU A 33 -9.222 -8.834 -6.726 1.00 1.45 H new ATOM 0 HD23 LEU A 33 -8.173 -7.592 -7.450 1.00 1.45 H new ATOM 502 N TYR A 34 -7.985 -4.381 -3.314 1.00 0.52 N ATOM 503 CA TYR A 34 -8.452 -3.368 -2.383 1.00 0.54 C ATOM 504 C TYR A 34 -7.245 -2.636 -1.826 1.00 0.50 C ATOM 505 O TYR A 34 -6.181 -3.239 -1.686 1.00 0.46 O ATOM 506 CB TYR A 34 -9.228 -4.013 -1.228 1.00 0.58 C ATOM 507 CG TYR A 34 -9.850 -3.019 -0.268 1.00 0.61 C ATOM 508 CD1 TYR A 34 -10.804 -2.095 -0.732 1.00 1.99 C ATOM 509 CD2 TYR A 34 -9.432 -2.981 1.076 1.00 2.05 C ATOM 510 CE1 TYR A 34 -11.310 -1.112 0.135 1.00 2.04 C ATOM 511 CE2 TYR A 34 -9.975 -2.027 1.952 1.00 2.09 C ATOM 512 CZ TYR A 34 -10.888 -1.073 1.475 1.00 0.87 C ATOM 513 OH TYR A 34 -11.374 -0.124 2.323 1.00 1.08 O ATOM 0 H TYR A 34 -7.041 -4.714 -3.118 1.00 0.52 H new ATOM 0 HA TYR A 34 -9.116 -2.678 -2.904 1.00 0.54 H new ATOM 0 HB2 TYR A 34 -10.015 -4.644 -1.641 1.00 0.58 H new ATOM 0 HB3 TYR A 34 -8.555 -4.666 -0.672 1.00 0.58 H new ATOM 0 HD1 TYR A 34 -11.147 -2.141 -1.755 1.00 1.99 H new ATOM 0 HD2 TYR A 34 -8.695 -3.685 1.433 1.00 2.05 H new ATOM 0 HE1 TYR A 34 -12.023 -0.387 -0.228 1.00 2.04 H new ATOM 0 HE2 TYR A 34 -9.690 -2.027 2.994 1.00 2.09 H new ATOM 0 HH TYR A 34 -10.977 -0.244 3.211 1.00 1.08 H new ATOM 523 N CYS A 35 -7.430 -1.364 -1.477 1.00 0.58 N ATOM 524 CA CYS A 35 -6.449 -0.558 -0.779 1.00 0.61 C ATOM 525 C CYS A 35 -7.162 0.104 0.391 1.00 0.65 C ATOM 526 O CYS A 35 -8.310 0.518 0.241 1.00 1.04 O ATOM 527 CB CYS A 35 -5.910 0.539 -1.699 1.00 0.77 C ATOM 528 SG CYS A 35 -5.119 -0.137 -3.172 1.00 2.57 S ATOM 0 H CYS A 35 -8.292 -0.859 -1.681 1.00 0.58 H new ATOM 0 HA CYS A 35 -5.618 -1.182 -0.450 1.00 0.61 H new ATOM 0 HB2 CYS A 35 -6.727 1.196 -1.996 1.00 0.77 H new ATOM 0 HB3 CYS A 35 -5.193 1.150 -1.151 1.00 0.77 H new ATOM 0 HG CYS A 35 -5.253 0.699 -4.159 1.00 2.57 H new ATOM 534 N SER A 36 -6.491 0.231 1.534 1.00 0.59 N ATOM 535 CA SER A 36 -6.859 1.185 2.567 1.00 0.83 C ATOM 536 C SER A 36 -5.586 1.544 3.326 1.00 0.73 C ATOM 537 O SER A 36 -4.626 0.774 3.297 1.00 1.46 O ATOM 538 CB SER A 36 -7.933 0.596 3.485 1.00 1.09 C ATOM 539 OG SER A 36 -8.356 1.555 4.436 1.00 1.88 O ATOM 0 H SER A 36 -5.672 -0.331 1.767 1.00 0.59 H new ATOM 0 HA SER A 36 -7.291 2.087 2.134 1.00 0.83 H new ATOM 0 HB2 SER A 36 -8.785 0.265 2.891 1.00 1.09 H new ATOM 0 HB3 SER A 36 -7.540 -0.283 3.997 1.00 1.09 H new ATOM 0 HG SER A 36 -9.044 1.162 5.013 1.00 1.88 H new ATOM 545 N VAL A 37 -5.565 2.703 3.985 1.00 0.68 N ATOM 546 CA VAL A 37 -4.421 3.212 4.721 1.00 0.72 C ATOM 547 C VAL A 37 -4.905 3.888 5.997 1.00 0.81 C ATOM 548 O VAL A 37 -5.899 4.610 5.981 1.00 0.90 O ATOM 549 CB VAL A 37 -3.623 4.210 3.863 1.00 0.97 C ATOM 550 CG1 VAL A 37 -2.449 3.535 3.162 1.00 1.73 C ATOM 551 CG2 VAL A 37 -4.490 4.906 2.809 1.00 1.68 C ATOM 0 H VAL A 37 -6.371 3.328 4.019 1.00 0.68 H new ATOM 0 HA VAL A 37 -3.763 2.381 4.975 1.00 0.72 H new ATOM 0 HB VAL A 37 -3.252 4.962 4.560 1.00 0.97 H new ATOM 0 HG11 VAL A 37 -1.909 4.271 2.566 1.00 1.73 H new ATOM 0 HG12 VAL A 37 -1.777 3.108 3.907 1.00 1.73 H new ATOM 0 HG13 VAL A 37 -2.820 2.743 2.512 1.00 1.73 H new ATOM 0 HG21 VAL A 37 -3.876 5.599 2.233 1.00 1.68 H new ATOM 0 HG22 VAL A 37 -4.920 4.160 2.141 1.00 1.68 H new ATOM 0 HG23 VAL A 37 -5.292 5.456 3.302 1.00 1.68 H new ATOM 561 N ALA A 38 -4.184 3.660 7.097 1.00 1.02 N ATOM 562 CA ALA A 38 -4.460 4.261 8.386 1.00 1.33 C ATOM 563 C ALA A 38 -3.198 4.932 8.900 1.00 1.21 C ATOM 564 O ALA A 38 -2.382 4.289 9.557 1.00 1.45 O ATOM 565 CB ALA A 38 -4.902 3.178 9.365 1.00 1.52 C ATOM 0 H ALA A 38 -3.376 3.037 7.107 1.00 1.02 H new ATOM 0 HA ALA A 38 -5.253 5.002 8.288 1.00 1.33 H new ATOM 0 HB1 ALA A 38 -5.110 3.628 10.336 1.00 1.52 H new ATOM 0 HB2 ALA A 38 -5.803 2.693 8.989 1.00 1.52 H new ATOM 0 HB3 ALA A 38 -4.109 2.438 9.471 1.00 1.52 H new ATOM 571 N LEU A 39 -3.059 6.238 8.677 1.00 1.01 N ATOM 572 CA LEU A 39 -2.041 7.029 9.349 1.00 0.97 C ATOM 573 C LEU A 39 -2.147 6.920 10.874 1.00 0.90 C ATOM 574 O LEU A 39 -1.141 7.037 11.567 1.00 0.93 O ATOM 575 CB LEU A 39 -2.030 8.470 8.816 1.00 1.13 C ATOM 576 CG LEU A 39 -3.226 9.396 9.120 1.00 1.02 C ATOM 577 CD1 LEU A 39 -4.619 8.813 8.844 1.00 2.61 C ATOM 578 CD2 LEU A 39 -3.171 10.006 10.527 1.00 3.02 C ATOM 0 H LEU A 39 -3.644 6.769 8.032 1.00 1.01 H new ATOM 0 HA LEU A 39 -1.062 6.614 9.110 1.00 0.97 H new ATOM 0 HB2 LEU A 39 -1.133 8.955 9.202 1.00 1.13 H new ATOM 0 HB3 LEU A 39 -1.923 8.418 7.733 1.00 1.13 H new ATOM 0 HG LEU A 39 -3.095 10.189 8.384 1.00 1.02 H new ATOM 0 HD11 LEU A 39 -5.379 9.553 9.095 1.00 2.61 H new ATOM 0 HD12 LEU A 39 -4.701 8.551 7.789 1.00 2.61 H new ATOM 0 HD13 LEU A 39 -4.767 7.921 9.452 1.00 2.61 H new ATOM 0 HD21 LEU A 39 -4.039 10.647 10.680 1.00 3.02 H new ATOM 0 HD22 LEU A 39 -3.174 9.208 11.270 1.00 3.02 H new ATOM 0 HD23 LEU A 39 -2.261 10.597 10.632 1.00 3.02 H new ATOM 590 N ALA A 40 -3.339 6.621 11.401 1.00 0.99 N ATOM 591 CA ALA A 40 -3.563 6.458 12.831 1.00 1.06 C ATOM 592 C ALA A 40 -2.608 5.424 13.436 1.00 1.06 C ATOM 593 O ALA A 40 -2.103 5.621 14.538 1.00 1.30 O ATOM 594 CB ALA A 40 -5.021 6.061 13.078 1.00 1.28 C ATOM 0 H ALA A 40 -4.179 6.485 10.838 1.00 0.99 H new ATOM 0 HA ALA A 40 -3.360 7.409 13.323 1.00 1.06 H new ATOM 0 HB1 ALA A 40 -5.189 5.939 14.148 1.00 1.28 H new ATOM 0 HB2 ALA A 40 -5.680 6.840 12.694 1.00 1.28 H new ATOM 0 HB3 ALA A 40 -5.234 5.121 12.568 1.00 1.28 H new ATOM 600 N THR A 41 -2.372 4.323 12.715 1.00 1.01 N ATOM 601 CA THR A 41 -1.479 3.247 13.141 1.00 1.15 C ATOM 602 C THR A 41 -0.205 3.205 12.281 1.00 1.15 C ATOM 603 O THR A 41 0.777 2.577 12.661 1.00 1.55 O ATOM 604 CB THR A 41 -2.278 1.935 13.155 1.00 1.45 C ATOM 605 OG1 THR A 41 -1.636 0.923 13.900 1.00 3.21 O ATOM 606 CG2 THR A 41 -2.539 1.404 11.754 1.00 1.46 C ATOM 0 H THR A 41 -2.804 4.154 11.806 1.00 1.01 H new ATOM 0 HA THR A 41 -1.115 3.422 14.153 1.00 1.15 H new ATOM 0 HB THR A 41 -3.226 2.186 13.630 1.00 1.45 H new ATOM 0 HG1 THR A 41 -2.181 0.108 13.882 1.00 3.21 H new ATOM 0 HG21 THR A 41 -3.107 0.476 11.817 1.00 1.46 H new ATOM 0 HG22 THR A 41 -3.108 2.140 11.186 1.00 1.46 H new ATOM 0 HG23 THR A 41 -1.589 1.215 11.254 1.00 1.46 H new ATOM 614 N ASN A 42 -0.218 3.886 11.126 1.00 0.91 N ATOM 615 CA ASN A 42 0.795 3.839 10.082 1.00 0.94 C ATOM 616 C ASN A 42 0.835 2.462 9.448 1.00 1.07 C ATOM 617 O ASN A 42 1.771 1.703 9.656 1.00 1.45 O ATOM 618 CB ASN A 42 2.176 4.347 10.541 1.00 0.91 C ATOM 619 CG ASN A 42 2.313 5.823 10.218 1.00 0.92 C ATOM 620 OD1 ASN A 42 3.307 6.279 9.660 1.00 2.38 O ATOM 621 ND2 ASN A 42 1.286 6.601 10.508 1.00 1.12 N ATOM 0 H ASN A 42 -0.983 4.518 10.890 1.00 0.91 H new ATOM 0 HA ASN A 42 0.501 4.548 9.307 1.00 0.94 H new ATOM 0 HB2 ASN A 42 2.295 4.187 11.613 1.00 0.91 H new ATOM 0 HB3 ASN A 42 2.965 3.782 10.045 1.00 0.91 H new ATOM 0 HD21 ASN A 42 1.313 7.592 10.268 1.00 1.12 H new ATOM 0 HD22 ASN A 42 0.466 6.211 10.972 1.00 1.12 H new ATOM 628 N LYS A 43 -0.163 2.150 8.622 1.00 0.82 N ATOM 629 CA LYS A 43 -0.125 0.944 7.819 1.00 0.75 C ATOM 630 C LYS A 43 -1.008 1.131 6.595 1.00 0.64 C ATOM 631 O LYS A 43 -2.024 1.826 6.674 1.00 1.01 O ATOM 632 CB LYS A 43 -0.425 -0.289 8.700 1.00 1.16 C ATOM 633 CG LYS A 43 -1.326 -1.396 8.128 1.00 2.36 C ATOM 634 CD LYS A 43 -2.814 -1.089 8.383 1.00 1.84 C ATOM 635 CE LYS A 43 -3.239 -1.446 9.819 1.00 2.89 C ATOM 636 NZ LYS A 43 -3.488 -2.892 10.014 1.00 4.17 N ATOM 0 H LYS A 43 -1.001 2.717 8.497 1.00 0.82 H new ATOM 0 HA LYS A 43 0.871 0.749 7.422 1.00 0.75 H new ATOM 0 HB2 LYS A 43 0.528 -0.744 8.970 1.00 1.16 H new ATOM 0 HB3 LYS A 43 -0.882 0.066 9.624 1.00 1.16 H new ATOM 0 HG2 LYS A 43 -1.150 -1.494 7.057 1.00 2.36 H new ATOM 0 HG3 LYS A 43 -1.066 -2.352 8.583 1.00 2.36 H new ATOM 0 HD2 LYS A 43 -3.002 -0.031 8.202 1.00 1.84 H new ATOM 0 HD3 LYS A 43 -3.426 -1.647 7.674 1.00 1.84 H new ATOM 0 HE2 LYS A 43 -2.462 -1.122 10.512 1.00 2.89 H new ATOM 0 HE3 LYS A 43 -4.143 -0.892 10.071 1.00 2.89 H new ATOM 0 HZ1 LYS A 43 -3.803 -3.061 10.991 1.00 4.17 H new ATOM 0 HZ2 LYS A 43 -4.225 -3.210 9.353 1.00 4.17 H new ATOM 0 HZ3 LYS A 43 -2.611 -3.422 9.836 1.00 4.17 H new ATOM 650 N ALA A 44 -0.591 0.527 5.478 1.00 0.63 N ATOM 651 CA ALA A 44 -1.395 0.351 4.281 1.00 0.58 C ATOM 652 C ALA A 44 -1.725 -1.123 4.188 1.00 0.59 C ATOM 653 O ALA A 44 -0.835 -1.948 4.373 1.00 0.78 O ATOM 654 CB ALA A 44 -0.643 0.815 3.030 1.00 0.61 C ATOM 0 H ALA A 44 0.347 0.137 5.387 1.00 0.63 H new ATOM 0 HA ALA A 44 -2.301 0.954 4.340 1.00 0.58 H new ATOM 0 HB1 ALA A 44 -1.273 0.670 2.152 1.00 0.61 H new ATOM 0 HB2 ALA A 44 -0.393 1.872 3.127 1.00 0.61 H new ATOM 0 HB3 ALA A 44 0.273 0.234 2.920 1.00 0.61 H new ATOM 660 N HIS A 45 -3.002 -1.412 3.946 1.00 0.72 N ATOM 661 CA HIS A 45 -3.584 -2.715 3.748 1.00 0.70 C ATOM 662 C HIS A 45 -3.939 -2.766 2.268 1.00 0.68 C ATOM 663 O HIS A 45 -4.947 -2.190 1.857 1.00 0.72 O ATOM 664 CB HIS A 45 -4.812 -2.816 4.666 1.00 0.81 C ATOM 665 CG HIS A 45 -5.494 -4.158 4.667 1.00 0.82 C ATOM 666 ND1 HIS A 45 -5.685 -4.965 5.763 1.00 0.94 N ATOM 667 CD2 HIS A 45 -6.044 -4.787 3.587 1.00 0.82 C ATOM 668 CE1 HIS A 45 -6.332 -6.066 5.344 1.00 1.01 C ATOM 669 NE2 HIS A 45 -6.571 -6.008 4.021 1.00 0.93 N ATOM 0 H HIS A 45 -3.703 -0.674 3.880 1.00 0.72 H new ATOM 0 HA HIS A 45 -2.931 -3.552 3.994 1.00 0.70 H new ATOM 0 HB2 HIS A 45 -4.506 -2.579 5.685 1.00 0.81 H new ATOM 0 HB3 HIS A 45 -5.535 -2.057 4.366 1.00 0.81 H new ATOM 0 HD1 HIS A 45 -5.390 -4.765 6.719 1.00 0.94 H new ATOM 0 HD2 HIS A 45 -6.068 -4.408 2.576 1.00 0.82 H new ATOM 0 HE1 HIS A 45 -6.621 -6.887 5.983 1.00 1.01 H new ATOM 677 N ILE A 46 -3.082 -3.403 1.467 1.00 0.71 N ATOM 678 CA ILE A 46 -3.304 -3.601 0.047 1.00 0.75 C ATOM 679 C ILE A 46 -3.613 -5.081 -0.129 1.00 0.85 C ATOM 680 O ILE A 46 -2.733 -5.918 0.063 1.00 1.38 O ATOM 681 CB ILE A 46 -2.084 -3.188 -0.800 1.00 0.84 C ATOM 682 CG1 ILE A 46 -1.322 -1.952 -0.293 1.00 1.48 C ATOM 683 CG2 ILE A 46 -2.521 -3.012 -2.262 1.00 1.53 C ATOM 684 CD1 ILE A 46 -2.203 -0.762 0.065 1.00 2.02 C ATOM 0 H ILE A 46 -2.203 -3.799 1.799 1.00 0.71 H new ATOM 0 HA ILE A 46 -4.124 -2.973 -0.300 1.00 0.75 H new ATOM 0 HB ILE A 46 -1.361 -3.998 -0.709 1.00 0.84 H new ATOM 0 HG12 ILE A 46 -0.743 -2.235 0.586 1.00 1.48 H new ATOM 0 HG13 ILE A 46 -0.610 -1.642 -1.058 1.00 1.48 H new ATOM 0 HG21 ILE A 46 -1.662 -2.720 -2.866 1.00 1.53 H new ATOM 0 HG22 ILE A 46 -2.925 -3.952 -2.637 1.00 1.53 H new ATOM 0 HG23 ILE A 46 -3.287 -2.239 -2.322 1.00 1.53 H new ATOM 0 HD11 ILE A 46 -1.579 0.061 0.412 1.00 2.02 H new ATOM 0 HD12 ILE A 46 -2.763 -0.446 -0.815 1.00 2.02 H new ATOM 0 HD13 ILE A 46 -2.898 -1.048 0.854 1.00 2.02 H new ATOM 696 N LYS A 47 -4.850 -5.420 -0.476 1.00 0.50 N ATOM 697 CA LYS A 47 -5.146 -6.754 -0.962 1.00 0.55 C ATOM 698 C LYS A 47 -4.788 -6.759 -2.440 1.00 0.57 C ATOM 699 O LYS A 47 -5.236 -5.867 -3.160 1.00 0.67 O ATOM 700 CB LYS A 47 -6.626 -7.072 -0.760 1.00 0.66 C ATOM 701 CG LYS A 47 -6.937 -7.465 0.691 1.00 0.67 C ATOM 702 CD LYS A 47 -6.589 -8.947 0.905 1.00 1.89 C ATOM 703 CE LYS A 47 -7.201 -9.510 2.194 1.00 2.13 C ATOM 704 NZ LYS A 47 -6.997 -10.971 2.275 1.00 3.14 N ATOM 0 H LYS A 47 -5.654 -4.793 -0.429 1.00 0.50 H new ATOM 0 HA LYS A 47 -4.579 -7.512 -0.422 1.00 0.55 H new ATOM 0 HB2 LYS A 47 -7.224 -6.204 -1.037 1.00 0.66 H new ATOM 0 HB3 LYS A 47 -6.916 -7.885 -1.426 1.00 0.66 H new ATOM 0 HG2 LYS A 47 -6.364 -6.843 1.379 1.00 0.67 H new ATOM 0 HG3 LYS A 47 -7.991 -7.293 0.908 1.00 0.67 H new ATOM 0 HD2 LYS A 47 -6.944 -9.528 0.054 1.00 1.89 H new ATOM 0 HD3 LYS A 47 -5.506 -9.062 0.940 1.00 1.89 H new ATOM 0 HE2 LYS A 47 -6.748 -9.026 3.059 1.00 2.13 H new ATOM 0 HE3 LYS A 47 -8.267 -9.284 2.225 1.00 2.13 H new ATOM 0 HZ1 LYS A 47 -7.280 -11.309 3.217 1.00 3.14 H new ATOM 0 HZ2 LYS A 47 -7.574 -11.443 1.550 1.00 3.14 H new ATOM 0 HZ3 LYS A 47 -5.993 -11.191 2.115 1.00 3.14 H new ATOM 718 N TYR A 48 -3.995 -7.732 -2.892 1.00 0.67 N ATOM 719 CA TYR A 48 -3.660 -7.918 -4.296 1.00 0.65 C ATOM 720 C TYR A 48 -3.617 -9.411 -4.601 1.00 0.57 C ATOM 721 O TYR A 48 -3.425 -10.200 -3.678 1.00 0.70 O ATOM 722 CB TYR A 48 -2.329 -7.225 -4.615 1.00 0.89 C ATOM 723 CG TYR A 48 -1.091 -7.934 -4.095 1.00 0.98 C ATOM 724 CD1 TYR A 48 -0.780 -7.908 -2.724 1.00 1.39 C ATOM 725 CD2 TYR A 48 -0.279 -8.674 -4.974 1.00 2.06 C ATOM 726 CE1 TYR A 48 0.237 -8.737 -2.220 1.00 1.46 C ATOM 727 CE2 TYR A 48 0.843 -9.364 -4.484 1.00 2.18 C ATOM 728 CZ TYR A 48 1.063 -9.449 -3.104 1.00 1.28 C ATOM 729 OH TYR A 48 2.074 -10.227 -2.623 1.00 1.47 O ATOM 0 H TYR A 48 -3.562 -8.422 -2.278 1.00 0.67 H new ATOM 0 HA TYR A 48 -4.419 -7.462 -4.931 1.00 0.65 H new ATOM 0 HB2 TYR A 48 -2.242 -7.121 -5.697 1.00 0.89 H new ATOM 0 HB3 TYR A 48 -2.353 -6.218 -4.199 1.00 0.89 H new ATOM 0 HD1 TYR A 48 -1.322 -7.252 -2.059 1.00 1.39 H new ATOM 0 HD2 TYR A 48 -0.518 -8.712 -6.026 1.00 2.06 H new ATOM 0 HE1 TYR A 48 0.383 -8.826 -1.154 1.00 1.46 H new ATOM 0 HE2 TYR A 48 1.535 -9.828 -5.171 1.00 2.18 H new ATOM 0 HH TYR A 48 2.389 -10.828 -3.330 1.00 1.47 H new ATOM 739 N ASP A 49 -3.789 -9.804 -5.868 1.00 0.64 N ATOM 740 CA ASP A 49 -3.618 -11.203 -6.266 1.00 0.79 C ATOM 741 C ASP A 49 -2.166 -11.363 -6.744 1.00 0.78 C ATOM 742 O ASP A 49 -1.752 -10.643 -7.657 1.00 0.97 O ATOM 743 CB ASP A 49 -4.635 -11.602 -7.354 1.00 1.19 C ATOM 744 CG ASP A 49 -5.344 -12.921 -7.047 1.00 2.48 C ATOM 745 OD1 ASP A 49 -4.635 -13.923 -6.809 1.00 3.32 O ATOM 746 OD2 ASP A 49 -6.594 -12.912 -7.050 1.00 3.48 O ATOM 0 H ASP A 49 -4.045 -9.176 -6.630 1.00 0.64 H new ATOM 0 HA ASP A 49 -3.808 -11.871 -5.426 1.00 0.79 H new ATOM 0 HB2 ASP A 49 -5.378 -10.811 -7.458 1.00 1.19 H new ATOM 0 HB3 ASP A 49 -4.122 -11.685 -8.312 1.00 1.19 H new ATOM 751 N PRO A 50 -1.349 -12.252 -6.156 1.00 0.73 N ATOM 752 CA PRO A 50 0.076 -12.347 -6.455 1.00 0.87 C ATOM 753 C PRO A 50 0.355 -13.093 -7.770 1.00 1.21 C ATOM 754 O PRO A 50 1.273 -13.909 -7.841 1.00 1.99 O ATOM 755 CB PRO A 50 0.677 -13.041 -5.226 1.00 0.82 C ATOM 756 CG PRO A 50 -0.451 -13.969 -4.777 1.00 0.86 C ATOM 757 CD PRO A 50 -1.704 -13.142 -5.066 1.00 0.78 C ATOM 0 HA PRO A 50 0.528 -11.370 -6.624 1.00 0.87 H new ATOM 0 HB2 PRO A 50 1.582 -13.595 -5.476 1.00 0.82 H new ATOM 0 HB3 PRO A 50 0.946 -12.326 -4.449 1.00 0.82 H new ATOM 0 HG2 PRO A 50 -0.448 -14.907 -5.332 1.00 0.86 H new ATOM 0 HG3 PRO A 50 -0.369 -14.224 -3.720 1.00 0.86 H new ATOM 0 HD2 PRO A 50 -2.541 -13.784 -5.342 1.00 0.78 H new ATOM 0 HD3 PRO A 50 -2.012 -12.578 -4.185 1.00 0.78 H new ATOM 765 N GLU A 51 -0.412 -12.786 -8.820 1.00 1.07 N ATOM 766 CA GLU A 51 -0.328 -13.387 -10.147 1.00 1.41 C ATOM 767 C GLU A 51 -0.338 -12.305 -11.239 1.00 1.44 C ATOM 768 O GLU A 51 -0.452 -12.619 -12.421 1.00 2.62 O ATOM 769 CB GLU A 51 -1.542 -14.306 -10.332 1.00 1.72 C ATOM 770 CG GLU A 51 -1.610 -15.433 -9.291 1.00 2.08 C ATOM 771 CD GLU A 51 -2.911 -16.208 -9.395 1.00 2.64 C ATOM 772 OE1 GLU A 51 -3.948 -15.590 -9.723 1.00 3.57 O ATOM 773 OE2 GLU A 51 -2.936 -17.411 -9.051 1.00 3.05 O ATOM 0 H GLU A 51 -1.143 -12.077 -8.761 1.00 1.07 H new ATOM 0 HA GLU A 51 0.602 -13.949 -10.232 1.00 1.41 H new ATOM 0 HB2 GLU A 51 -2.453 -13.710 -10.274 1.00 1.72 H new ATOM 0 HB3 GLU A 51 -1.510 -14.743 -11.330 1.00 1.72 H new ATOM 0 HG2 GLU A 51 -0.769 -16.112 -9.432 1.00 2.08 H new ATOM 0 HG3 GLU A 51 -1.515 -15.012 -8.290 1.00 2.08 H new ATOM 780 N ILE A 52 -0.284 -11.027 -10.844 1.00 0.65 N ATOM 781 CA ILE A 52 -0.648 -9.901 -11.690 1.00 0.74 C ATOM 782 C ILE A 52 0.007 -8.588 -11.236 1.00 0.83 C ATOM 783 O ILE A 52 0.313 -7.750 -12.082 1.00 1.12 O ATOM 784 CB ILE A 52 -2.186 -9.836 -11.813 1.00 0.92 C ATOM 785 CG1 ILE A 52 -2.685 -8.633 -12.625 1.00 1.74 C ATOM 786 CG2 ILE A 52 -2.875 -9.882 -10.445 1.00 2.20 C ATOM 787 CD1 ILE A 52 -2.160 -8.692 -14.060 1.00 2.70 C ATOM 0 H ILE A 52 0.020 -10.750 -9.911 1.00 0.65 H new ATOM 0 HA ILE A 52 -0.247 -10.055 -12.692 1.00 0.74 H new ATOM 0 HB ILE A 52 -2.464 -10.731 -12.370 1.00 0.92 H new ATOM 0 HG12 ILE A 52 -3.775 -8.620 -12.632 1.00 1.74 H new ATOM 0 HG13 ILE A 52 -2.358 -7.708 -12.151 1.00 1.74 H new ATOM 0 HG21 ILE A 52 -3.956 -9.834 -10.580 1.00 2.20 H new ATOM 0 HG22 ILE A 52 -2.614 -10.810 -9.937 1.00 2.20 H new ATOM 0 HG23 ILE A 52 -2.546 -9.035 -9.843 1.00 2.20 H new ATOM 0 HD11 ILE A 52 -2.526 -7.830 -14.617 1.00 2.70 H new ATOM 0 HD12 ILE A 52 -1.070 -8.681 -14.049 1.00 2.70 H new ATOM 0 HD13 ILE A 52 -2.509 -9.607 -14.538 1.00 2.70 H new ATOM 799 N ILE A 53 0.272 -8.386 -9.939 1.00 0.71 N ATOM 800 CA ILE A 53 1.152 -7.331 -9.478 1.00 0.84 C ATOM 801 C ILE A 53 1.979 -7.943 -8.356 1.00 0.86 C ATOM 802 O ILE A 53 1.481 -8.810 -7.638 1.00 1.22 O ATOM 803 CB ILE A 53 0.337 -6.100 -9.037 1.00 0.95 C ATOM 804 CG1 ILE A 53 1.259 -4.887 -8.877 1.00 1.26 C ATOM 805 CG2 ILE A 53 -0.429 -6.337 -7.730 1.00 1.14 C ATOM 806 CD1 ILE A 53 0.493 -3.579 -9.053 1.00 0.93 C ATOM 0 H ILE A 53 -0.122 -8.954 -9.189 1.00 0.71 H new ATOM 0 HA ILE A 53 1.812 -6.962 -10.263 1.00 0.84 H new ATOM 0 HB ILE A 53 -0.399 -5.911 -9.819 1.00 0.95 H new ATOM 0 HG12 ILE A 53 1.724 -4.909 -7.891 1.00 1.26 H new ATOM 0 HG13 ILE A 53 2.064 -4.941 -9.610 1.00 1.26 H new ATOM 0 HG21 ILE A 53 -0.986 -5.438 -7.466 1.00 1.14 H new ATOM 0 HG22 ILE A 53 -1.122 -7.168 -7.860 1.00 1.14 H new ATOM 0 HG23 ILE A 53 0.276 -6.574 -6.933 1.00 1.14 H new ATOM 0 HD11 ILE A 53 1.176 -2.738 -8.933 1.00 0.93 H new ATOM 0 HD12 ILE A 53 0.050 -3.548 -10.048 1.00 0.93 H new ATOM 0 HD13 ILE A 53 -0.295 -3.515 -8.303 1.00 0.93 H new ATOM 818 N GLY A 54 3.239 -7.543 -8.234 1.00 0.98 N ATOM 819 CA GLY A 54 4.114 -7.988 -7.168 1.00 1.01 C ATOM 820 C GLY A 54 3.985 -7.060 -5.959 1.00 0.90 C ATOM 821 O GLY A 54 3.680 -5.874 -6.109 1.00 0.94 O ATOM 0 H GLY A 54 3.683 -6.893 -8.883 1.00 0.98 H new ATOM 0 HA2 GLY A 54 3.860 -9.009 -6.881 1.00 1.01 H new ATOM 0 HA3 GLY A 54 5.147 -8.002 -7.517 1.00 1.01 H new ATOM 825 N PRO A 55 4.279 -7.559 -4.749 1.00 0.89 N ATOM 826 CA PRO A 55 4.314 -6.726 -3.559 1.00 0.89 C ATOM 827 C PRO A 55 5.344 -5.608 -3.739 1.00 0.74 C ATOM 828 O PRO A 55 5.110 -4.466 -3.351 1.00 0.75 O ATOM 829 CB PRO A 55 4.657 -7.674 -2.409 1.00 1.04 C ATOM 830 CG PRO A 55 5.415 -8.818 -3.082 1.00 1.01 C ATOM 831 CD PRO A 55 4.768 -8.899 -4.465 1.00 0.97 C ATOM 0 HA PRO A 55 3.367 -6.224 -3.359 1.00 0.89 H new ATOM 0 HB2 PRO A 55 5.269 -7.180 -1.654 1.00 1.04 H new ATOM 0 HB3 PRO A 55 3.759 -8.032 -1.906 1.00 1.04 H new ATOM 0 HG2 PRO A 55 6.483 -8.610 -3.148 1.00 1.01 H new ATOM 0 HG3 PRO A 55 5.306 -9.752 -2.531 1.00 1.01 H new ATOM 0 HD2 PRO A 55 5.489 -9.220 -5.217 1.00 0.97 H new ATOM 0 HD3 PRO A 55 3.954 -9.623 -4.475 1.00 0.97 H new ATOM 839 N ARG A 56 6.474 -5.936 -4.372 1.00 0.70 N ATOM 840 CA ARG A 56 7.494 -4.974 -4.749 1.00 0.71 C ATOM 841 C ARG A 56 6.915 -3.826 -5.588 1.00 0.67 C ATOM 842 O ARG A 56 7.317 -2.683 -5.401 1.00 0.69 O ATOM 843 CB ARG A 56 8.640 -5.707 -5.458 1.00 0.89 C ATOM 844 CG ARG A 56 9.658 -4.716 -6.034 1.00 1.93 C ATOM 845 CD ARG A 56 11.051 -5.331 -6.195 1.00 2.53 C ATOM 846 NE ARG A 56 11.702 -5.494 -4.885 1.00 3.33 N ATOM 847 CZ ARG A 56 12.976 -5.875 -4.701 1.00 4.70 C ATOM 848 NH1 ARG A 56 13.727 -6.212 -5.755 1.00 5.42 N ATOM 849 NH2 ARG A 56 13.491 -5.916 -3.466 1.00 5.95 N ATOM 0 H ARG A 56 6.702 -6.894 -4.638 1.00 0.70 H new ATOM 0 HA ARG A 56 7.893 -4.503 -3.851 1.00 0.71 H new ATOM 0 HB2 ARG A 56 9.137 -6.376 -4.756 1.00 0.89 H new ATOM 0 HB3 ARG A 56 8.238 -6.327 -6.259 1.00 0.89 H new ATOM 0 HG2 ARG A 56 9.307 -4.362 -7.003 1.00 1.93 H new ATOM 0 HG3 ARG A 56 9.722 -3.846 -5.381 1.00 1.93 H new ATOM 0 HD2 ARG A 56 10.972 -6.299 -6.690 1.00 2.53 H new ATOM 0 HD3 ARG A 56 11.663 -4.695 -6.834 1.00 2.53 H new ATOM 0 HE ARG A 56 11.143 -5.303 -4.054 1.00 3.33 H new ATOM 0 HH11 ARG A 56 13.331 -6.179 -6.695 1.00 5.42 H new ATOM 0 HH12 ARG A 56 14.695 -6.502 -5.619 1.00 5.42 H new ATOM 0 HH21 ARG A 56 12.915 -5.658 -2.665 1.00 5.95 H new ATOM 0 HH22 ARG A 56 14.459 -6.206 -3.326 1.00 5.95 H new ATOM 863 N ASP A 57 5.988 -4.105 -6.506 1.00 0.67 N ATOM 864 CA ASP A 57 5.431 -3.075 -7.377 1.00 0.67 C ATOM 865 C ASP A 57 4.549 -2.139 -6.554 1.00 0.59 C ATOM 866 O ASP A 57 4.622 -0.916 -6.679 1.00 0.60 O ATOM 867 CB ASP A 57 4.616 -3.705 -8.509 1.00 0.82 C ATOM 868 CG ASP A 57 5.383 -4.741 -9.314 1.00 1.25 C ATOM 869 OD1 ASP A 57 6.566 -4.472 -9.616 1.00 2.44 O ATOM 870 OD2 ASP A 57 4.766 -5.795 -9.587 1.00 2.16 O ATOM 0 H ASP A 57 5.608 -5.038 -6.664 1.00 0.67 H new ATOM 0 HA ASP A 57 6.249 -2.509 -7.822 1.00 0.67 H new ATOM 0 HB2 ASP A 57 3.726 -4.172 -8.087 1.00 0.82 H new ATOM 0 HB3 ASP A 57 4.274 -2.917 -9.180 1.00 0.82 H new ATOM 875 N ILE A 58 3.711 -2.720 -5.693 1.00 0.59 N ATOM 876 CA ILE A 58 2.917 -1.955 -4.738 1.00 0.58 C ATOM 877 C ILE A 58 3.841 -1.050 -3.918 1.00 0.55 C ATOM 878 O ILE A 58 3.623 0.160 -3.849 1.00 0.57 O ATOM 879 CB ILE A 58 2.092 -2.913 -3.864 1.00 0.66 C ATOM 880 CG1 ILE A 58 0.913 -3.467 -4.675 1.00 0.68 C ATOM 881 CG2 ILE A 58 1.547 -2.224 -2.610 1.00 0.74 C ATOM 882 CD1 ILE A 58 0.539 -4.878 -4.224 1.00 0.84 C ATOM 0 H ILE A 58 3.566 -3.728 -5.640 1.00 0.59 H new ATOM 0 HA ILE A 58 2.209 -1.310 -5.259 1.00 0.58 H new ATOM 0 HB ILE A 58 2.756 -3.718 -3.550 1.00 0.66 H new ATOM 0 HG12 ILE A 58 0.052 -2.808 -4.564 1.00 0.68 H new ATOM 0 HG13 ILE A 58 1.171 -3.479 -5.734 1.00 0.68 H new ATOM 0 HG21 ILE A 58 0.971 -2.939 -2.023 1.00 0.74 H new ATOM 0 HG22 ILE A 58 2.377 -1.849 -2.011 1.00 0.74 H new ATOM 0 HG23 ILE A 58 0.905 -1.393 -2.901 1.00 0.74 H new ATOM 0 HD11 ILE A 58 -0.299 -5.240 -4.819 1.00 0.84 H new ATOM 0 HD12 ILE A 58 1.393 -5.542 -4.359 1.00 0.84 H new ATOM 0 HD13 ILE A 58 0.256 -4.861 -3.171 1.00 0.84 H new ATOM 894 N ILE A 59 4.886 -1.631 -3.326 1.00 0.55 N ATOM 895 CA ILE A 59 5.894 -0.889 -2.582 1.00 0.56 C ATOM 896 C ILE A 59 6.448 0.258 -3.434 1.00 0.58 C ATOM 897 O ILE A 59 6.375 1.410 -3.016 1.00 0.66 O ATOM 898 CB ILE A 59 6.959 -1.867 -2.060 1.00 0.62 C ATOM 899 CG1 ILE A 59 6.365 -2.647 -0.873 1.00 0.68 C ATOM 900 CG2 ILE A 59 8.245 -1.149 -1.645 1.00 0.69 C ATOM 901 CD1 ILE A 59 7.090 -3.972 -0.632 1.00 1.13 C ATOM 0 H ILE A 59 5.054 -2.637 -3.352 1.00 0.55 H new ATOM 0 HA ILE A 59 5.458 -0.410 -1.705 1.00 0.56 H new ATOM 0 HB ILE A 59 7.231 -2.552 -2.863 1.00 0.62 H new ATOM 0 HG12 ILE A 59 6.422 -2.035 0.027 1.00 0.68 H new ATOM 0 HG13 ILE A 59 5.309 -2.841 -1.060 1.00 0.68 H new ATOM 0 HG21 ILE A 59 8.969 -1.879 -1.283 1.00 0.69 H new ATOM 0 HG22 ILE A 59 8.660 -0.621 -2.504 1.00 0.69 H new ATOM 0 HG23 ILE A 59 8.023 -0.434 -0.853 1.00 0.69 H new ATOM 0 HD11 ILE A 59 6.636 -4.486 0.215 1.00 1.13 H new ATOM 0 HD12 ILE A 59 7.011 -4.597 -1.521 1.00 1.13 H new ATOM 0 HD13 ILE A 59 8.141 -3.778 -0.417 1.00 1.13 H new ATOM 913 N HIS A 60 6.936 -0.017 -4.646 1.00 0.61 N ATOM 914 CA HIS A 60 7.399 1.034 -5.546 1.00 0.74 C ATOM 915 C HIS A 60 6.338 2.126 -5.701 1.00 0.73 C ATOM 916 O HIS A 60 6.664 3.312 -5.668 1.00 0.88 O ATOM 917 CB HIS A 60 7.747 0.470 -6.931 1.00 0.93 C ATOM 918 CG HIS A 60 8.862 -0.545 -6.990 1.00 1.11 C ATOM 919 ND1 HIS A 60 9.071 -1.419 -8.033 1.00 2.11 N ATOM 920 CD2 HIS A 60 9.929 -0.658 -6.136 1.00 1.95 C ATOM 921 CE1 HIS A 60 10.246 -2.032 -7.819 1.00 2.87 C ATOM 922 NE2 HIS A 60 10.803 -1.614 -6.670 1.00 2.86 N ATOM 0 H HIS A 60 7.019 -0.961 -5.024 1.00 0.61 H new ATOM 0 HA HIS A 60 8.298 1.463 -5.103 1.00 0.74 H new ATOM 0 HB2 HIS A 60 6.849 0.013 -7.348 1.00 0.93 H new ATOM 0 HB3 HIS A 60 8.012 1.304 -7.581 1.00 0.93 H new ATOM 0 HD2 HIS A 60 10.070 -0.109 -5.217 1.00 1.95 H new ATOM 0 HE1 HIS A 60 10.685 -2.763 -8.482 1.00 2.87 H new ATOM 0 HE2 HIS A 60 11.685 -1.929 -6.267 1.00 2.86 H new ATOM 930 N THR A 61 5.073 1.733 -5.878 1.00 0.64 N ATOM 931 CA THR A 61 3.998 2.676 -6.150 1.00 0.72 C ATOM 932 C THR A 61 3.770 3.575 -4.937 1.00 0.92 C ATOM 933 O THR A 61 3.574 4.775 -5.099 1.00 1.25 O ATOM 934 CB THR A 61 2.726 1.934 -6.583 1.00 0.72 C ATOM 935 OG1 THR A 61 3.014 1.116 -7.699 1.00 0.78 O ATOM 936 CG2 THR A 61 1.616 2.912 -6.986 1.00 0.93 C ATOM 0 H THR A 61 4.773 0.759 -5.836 1.00 0.64 H new ATOM 0 HA THR A 61 4.283 3.321 -6.981 1.00 0.72 H new ATOM 0 HB THR A 61 2.387 1.338 -5.736 1.00 0.72 H new ATOM 0 HG1 THR A 61 3.584 0.370 -7.419 1.00 0.78 H new ATOM 0 HG21 THR A 61 0.730 2.353 -7.287 1.00 0.93 H new ATOM 0 HG22 THR A 61 1.370 3.553 -6.139 1.00 0.93 H new ATOM 0 HG23 THR A 61 1.957 3.527 -7.819 1.00 0.93 H new ATOM 944 N ILE A 62 3.819 3.012 -3.727 1.00 0.76 N ATOM 945 CA ILE A 62 3.859 3.809 -2.508 1.00 0.79 C ATOM 946 C ILE A 62 5.059 4.755 -2.577 1.00 0.88 C ATOM 947 O ILE A 62 4.903 5.974 -2.630 1.00 1.04 O ATOM 948 CB ILE A 62 3.932 2.881 -1.276 1.00 0.60 C ATOM 949 CG1 ILE A 62 2.554 2.281 -0.980 1.00 0.63 C ATOM 950 CG2 ILE A 62 4.393 3.623 -0.009 1.00 0.75 C ATOM 951 CD1 ILE A 62 2.656 0.903 -0.322 1.00 1.36 C ATOM 0 H ILE A 62 3.832 2.004 -3.570 1.00 0.76 H new ATOM 0 HA ILE A 62 2.952 4.406 -2.413 1.00 0.79 H new ATOM 0 HB ILE A 62 4.658 2.106 -1.521 1.00 0.60 H new ATOM 0 HG12 ILE A 62 1.999 2.954 -0.327 1.00 0.63 H new ATOM 0 HG13 ILE A 62 1.988 2.198 -1.908 1.00 0.63 H new ATOM 0 HG21 ILE A 62 4.428 2.926 0.828 1.00 0.75 H new ATOM 0 HG22 ILE A 62 5.386 4.042 -0.174 1.00 0.75 H new ATOM 0 HG23 ILE A 62 3.693 4.427 0.217 1.00 0.75 H new ATOM 0 HD11 ILE A 62 1.655 0.516 -0.130 1.00 1.36 H new ATOM 0 HD12 ILE A 62 3.188 0.221 -0.986 1.00 1.36 H new ATOM 0 HD13 ILE A 62 3.198 0.989 0.620 1.00 1.36 H new ATOM 963 N GLU A 63 6.263 4.192 -2.533 1.00 0.84 N ATOM 964 CA GLU A 63 7.446 4.957 -2.194 1.00 1.10 C ATOM 965 C GLU A 63 7.695 6.074 -3.205 1.00 0.93 C ATOM 966 O GLU A 63 7.951 7.217 -2.821 1.00 1.06 O ATOM 967 CB GLU A 63 8.642 4.016 -2.017 1.00 1.38 C ATOM 968 CG GLU A 63 8.373 3.029 -0.869 1.00 1.97 C ATOM 969 CD GLU A 63 9.606 2.206 -0.529 1.00 2.35 C ATOM 970 OE1 GLU A 63 10.150 1.582 -1.465 1.00 1.97 O ATOM 971 OE2 GLU A 63 9.961 2.205 0.670 1.00 3.80 O ATOM 0 H GLU A 63 6.439 3.207 -2.729 1.00 0.84 H new ATOM 0 HA GLU A 63 7.290 5.459 -1.239 1.00 1.10 H new ATOM 0 HB2 GLU A 63 8.824 3.469 -2.942 1.00 1.38 H new ATOM 0 HB3 GLU A 63 9.542 4.594 -1.806 1.00 1.38 H new ATOM 0 HG2 GLU A 63 8.049 3.579 0.014 1.00 1.97 H new ATOM 0 HG3 GLU A 63 7.557 2.362 -1.147 1.00 1.97 H new ATOM 978 N SER A 64 7.547 5.753 -4.493 1.00 0.76 N ATOM 979 CA SER A 64 7.846 6.662 -5.590 1.00 0.78 C ATOM 980 C SER A 64 6.955 7.905 -5.604 1.00 0.62 C ATOM 981 O SER A 64 7.256 8.838 -6.344 1.00 0.67 O ATOM 982 CB SER A 64 7.744 5.934 -6.934 1.00 0.86 C ATOM 983 OG SER A 64 8.563 4.781 -6.938 1.00 2.49 O ATOM 0 H SER A 64 7.211 4.841 -4.802 1.00 0.76 H new ATOM 0 HA SER A 64 8.868 7.005 -5.431 1.00 0.78 H new ATOM 0 HB2 SER A 64 6.708 5.652 -7.123 1.00 0.86 H new ATOM 0 HB3 SER A 64 8.045 6.603 -7.740 1.00 0.86 H new ATOM 0 HG SER A 64 8.088 4.041 -6.505 1.00 2.49 H new ATOM 989 N LEU A 65 5.861 7.932 -4.834 1.00 0.65 N ATOM 990 CA LEU A 65 5.084 9.149 -4.674 1.00 0.66 C ATOM 991 C LEU A 65 5.899 10.133 -3.830 1.00 0.78 C ATOM 992 O LEU A 65 6.508 11.052 -4.373 1.00 1.01 O ATOM 993 CB LEU A 65 3.718 8.813 -4.064 1.00 0.78 C ATOM 994 CG LEU A 65 2.831 8.023 -5.040 1.00 0.70 C ATOM 995 CD1 LEU A 65 1.709 7.316 -4.274 1.00 1.97 C ATOM 996 CD2 LEU A 65 2.217 8.920 -6.121 1.00 1.66 C ATOM 0 H LEU A 65 5.502 7.128 -4.319 1.00 0.65 H new ATOM 0 HA LEU A 65 4.882 9.623 -5.634 1.00 0.66 H new ATOM 0 HB2 LEU A 65 3.861 8.233 -3.153 1.00 0.78 H new ATOM 0 HB3 LEU A 65 3.211 9.735 -3.779 1.00 0.78 H new ATOM 0 HG LEU A 65 3.470 7.291 -5.534 1.00 0.70 H new ATOM 0 HD11 LEU A 65 1.086 6.759 -4.974 1.00 1.97 H new ATOM 0 HD12 LEU A 65 2.142 6.629 -3.547 1.00 1.97 H new ATOM 0 HD13 LEU A 65 1.100 8.056 -3.756 1.00 1.97 H new ATOM 0 HD21 LEU A 65 1.599 8.317 -6.786 1.00 1.66 H new ATOM 0 HD22 LEU A 65 1.602 9.687 -5.651 1.00 1.66 H new ATOM 0 HD23 LEU A 65 3.013 9.394 -6.696 1.00 1.66 H new ATOM 1008 N GLY A 66 5.906 9.972 -2.505 1.00 0.83 N ATOM 1009 CA GLY A 66 6.876 10.653 -1.660 1.00 0.83 C ATOM 1010 C GLY A 66 7.004 9.956 -0.313 1.00 0.77 C ATOM 1011 O GLY A 66 6.979 10.637 0.710 1.00 1.01 O ATOM 0 H GLY A 66 5.250 9.376 -1.999 1.00 0.83 H new ATOM 0 HA2 GLY A 66 7.846 10.675 -2.157 1.00 0.83 H new ATOM 0 HA3 GLY A 66 6.571 11.689 -1.511 1.00 0.83 H new ATOM 1015 N PHE A 67 7.042 8.619 -0.303 1.00 0.67 N ATOM 1016 CA PHE A 67 6.773 7.820 0.895 1.00 0.53 C ATOM 1017 C PHE A 67 7.866 6.766 1.096 1.00 0.68 C ATOM 1018 O PHE A 67 8.757 6.637 0.257 1.00 1.12 O ATOM 1019 CB PHE A 67 5.379 7.180 0.774 1.00 0.52 C ATOM 1020 CG PHE A 67 4.232 8.122 0.433 1.00 0.51 C ATOM 1021 CD1 PHE A 67 4.154 9.409 1.001 1.00 1.44 C ATOM 1022 CD2 PHE A 67 3.242 7.716 -0.481 1.00 1.74 C ATOM 1023 CE1 PHE A 67 3.181 10.321 0.562 1.00 1.40 C ATOM 1024 CE2 PHE A 67 2.234 8.610 -0.878 1.00 1.87 C ATOM 1025 CZ PHE A 67 2.210 9.916 -0.367 1.00 0.77 C ATOM 0 H PHE A 67 7.261 8.060 -1.128 1.00 0.67 H new ATOM 0 HA PHE A 67 6.783 8.463 1.775 1.00 0.53 H new ATOM 0 HB2 PHE A 67 5.424 6.404 0.009 1.00 0.52 H new ATOM 0 HB3 PHE A 67 5.147 6.685 1.717 1.00 0.52 H new ATOM 0 HD1 PHE A 67 4.847 9.696 1.779 1.00 1.44 H new ATOM 0 HD2 PHE A 67 3.257 6.712 -0.879 1.00 1.74 H new ATOM 0 HE1 PHE A 67 3.180 11.333 0.939 1.00 1.40 H new ATOM 0 HE2 PHE A 67 1.476 8.291 -1.578 1.00 1.87 H new ATOM 0 HZ PHE A 67 1.446 10.609 -0.688 1.00 0.77 H new ATOM 1035 N GLU A 68 7.781 5.999 2.188 1.00 0.54 N ATOM 1036 CA GLU A 68 8.686 4.898 2.503 1.00 0.68 C ATOM 1037 C GLU A 68 7.816 3.721 2.953 1.00 0.64 C ATOM 1038 O GLU A 68 6.785 3.970 3.572 1.00 0.75 O ATOM 1039 CB GLU A 68 9.658 5.306 3.625 1.00 0.90 C ATOM 1040 CG GLU A 68 10.198 6.745 3.531 1.00 2.28 C ATOM 1041 CD GLU A 68 9.284 7.765 4.207 1.00 3.59 C ATOM 1042 OE1 GLU A 68 9.230 7.735 5.456 1.00 3.94 O ATOM 1043 OE2 GLU A 68 8.649 8.557 3.482 1.00 5.00 O ATOM 0 H GLU A 68 7.058 6.134 2.895 1.00 0.54 H new ATOM 0 HA GLU A 68 9.286 4.628 1.634 1.00 0.68 H new ATOM 0 HB2 GLU A 68 9.153 5.186 4.583 1.00 0.90 H new ATOM 0 HB3 GLU A 68 10.502 4.617 3.621 1.00 0.90 H new ATOM 0 HG2 GLU A 68 11.186 6.788 3.990 1.00 2.28 H new ATOM 0 HG3 GLU A 68 10.322 7.014 2.482 1.00 2.28 H new ATOM 1050 N ALA A 69 8.175 2.464 2.673 1.00 0.68 N ATOM 1051 CA ALA A 69 7.363 1.309 3.058 1.00 0.70 C ATOM 1052 C ALA A 69 8.192 0.158 3.636 1.00 0.80 C ATOM 1053 O ALA A 69 9.345 -0.040 3.266 1.00 1.01 O ATOM 1054 CB ALA A 69 6.572 0.828 1.842 1.00 0.94 C ATOM 0 H ALA A 69 9.032 2.221 2.176 1.00 0.68 H new ATOM 0 HA ALA A 69 6.689 1.632 3.852 1.00 0.70 H new ATOM 0 HB1 ALA A 69 5.964 -0.033 2.121 1.00 0.94 H new ATOM 0 HB2 ALA A 69 5.924 1.630 1.489 1.00 0.94 H new ATOM 0 HB3 ALA A 69 7.263 0.543 1.048 1.00 0.94 H new ATOM 1060 N SER A 70 7.584 -0.635 4.527 1.00 0.79 N ATOM 1061 CA SER A 70 8.121 -1.922 4.957 1.00 1.04 C ATOM 1062 C SER A 70 6.978 -2.799 5.446 1.00 0.88 C ATOM 1063 O SER A 70 6.214 -2.379 6.312 1.00 0.86 O ATOM 1064 CB SER A 70 9.147 -1.748 6.085 1.00 1.39 C ATOM 1065 OG SER A 70 9.683 -3.006 6.471 1.00 2.69 O ATOM 0 H SER A 70 6.698 -0.395 4.971 1.00 0.79 H new ATOM 0 HA SER A 70 8.623 -2.388 4.109 1.00 1.04 H new ATOM 0 HB2 SER A 70 9.951 -1.090 5.755 1.00 1.39 H new ATOM 0 HB3 SER A 70 8.675 -1.269 6.943 1.00 1.39 H new ATOM 0 HG SER A 70 8.980 -3.547 6.887 1.00 2.69 H new ATOM 1071 N LEU A 71 6.883 -4.034 4.950 1.00 1.02 N ATOM 1072 CA LEU A 71 6.084 -5.055 5.617 1.00 0.85 C ATOM 1073 C LEU A 71 6.576 -5.223 7.054 1.00 1.03 C ATOM 1074 O LEU A 71 7.743 -4.951 7.348 1.00 1.77 O ATOM 1075 CB LEU A 71 6.100 -6.363 4.810 1.00 1.07 C ATOM 1076 CG LEU A 71 7.477 -7.049 4.721 1.00 1.41 C ATOM 1077 CD1 LEU A 71 7.668 -8.093 5.831 1.00 2.49 C ATOM 1078 CD2 LEU A 71 7.611 -7.754 3.366 1.00 2.21 C ATOM 0 H LEU A 71 7.346 -4.346 4.096 1.00 1.02 H new ATOM 0 HA LEU A 71 5.040 -4.746 5.667 1.00 0.85 H new ATOM 0 HB2 LEU A 71 5.391 -7.059 5.258 1.00 1.07 H new ATOM 0 HB3 LEU A 71 5.747 -6.155 3.800 1.00 1.07 H new ATOM 0 HG LEU A 71 8.236 -6.276 4.836 1.00 1.41 H new ATOM 0 HD11 LEU A 71 8.651 -8.553 5.732 1.00 2.49 H new ATOM 0 HD12 LEU A 71 7.590 -7.608 6.804 1.00 2.49 H new ATOM 0 HD13 LEU A 71 6.898 -8.860 5.746 1.00 2.49 H new ATOM 0 HD21 LEU A 71 8.585 -8.239 3.303 1.00 2.21 H new ATOM 0 HD22 LEU A 71 6.825 -8.503 3.266 1.00 2.21 H new ATOM 0 HD23 LEU A 71 7.518 -7.022 2.564 1.00 2.21 H new