USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 760 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 99 ASN :FLIP amide:sc= -0.442 F(o=-3.4!,f=-2) USER MOD Set 1.2: A 102 MET CE :methyl 142:sc= -1.51 (180deg=-1.99!) USER MOD Set 2.1: A 93 ASN : amide:sc= 0.56 K(o=0.56,f=-9.4!) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 38 HIS : no HE2:sc=-0.000266 X(o=-0.28,f=-0.25) USER MOD Set 3.2: A 87 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.0027) USER MOD Set 4.1: A 55 SER OG : rot 150:sc= -1.54! USER MOD Set 4.2: A 57 LYS NZ :NH3+ -171:sc= 1.17 (180deg=1.07) USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= -0.203 USER MOD Set 6.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 32 THR OG1 : rot 180:sc= -0.0834 USER MOD Single : A 3 HIS : no HD1:sc= 0.994 K(o=0.99,f=-4.1!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.76! C(o=-3.5!,f=-2.8!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 136:sc= 2.1 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 1.3 (180deg=1.12) USER MOD Single : A 43 SER OG : rot -90:sc= -0.742 USER MOD Single : A 44 THR OG1 : rot -12:sc= 0.968 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0.904 (180deg=0.876) USER MOD Single : A 49 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.2!) USER MOD Single : A 51 THR OG1 : rot -31:sc= -0.816 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -174:sc= 0 (180deg=-0.00996) USER MOD Single : A 59 MET CE :methyl -143:sc= -0.226 (180deg=-0.996) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.0736 (180deg=-0.382) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.217 F(o=-1.3,f=-0.22) USER MOD Single : A 88 MET CE :methyl -118:sc= -0.458 (180deg=-5.75!) USER MOD Single : A 90 SER OG : rot -68:sc= 0.174 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -159:sc= -3.6! (180deg=-5.66!) USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.2) USER MOD Single : A 103 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 105 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.7!) USER MOD Single : A 106 GLN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : A 109 SER OG : rot 85:sc= 0.645 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.0511 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 14.462 -2.599 2.817 1.00 0.35 N ATOM 29 CA HIS A 3 13.956 -1.356 2.251 1.00 0.24 C ATOM 30 C HIS A 3 13.895 -1.409 0.726 1.00 0.16 C ATOM 31 O HIS A 3 13.813 -0.376 0.072 1.00 0.19 O ATOM 32 CB HIS A 3 14.851 -0.182 2.673 1.00 0.32 C ATOM 33 CG HIS A 3 14.645 0.314 4.074 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.952 -0.421 5.200 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.173 1.503 4.522 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.679 0.294 6.278 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.206 1.465 5.892 1.00 1.85 N ATOM 0 HA HIS A 3 12.944 -1.216 2.632 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.893 -0.483 2.562 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.684 0.646 1.984 1.00 0.32 H new ATOM 0 HD2 HIS A 3 13.834 2.328 3.913 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.819 -0.025 7.300 1.00 1.64 H new ATOM 0 HE2 HIS A 3 13.913 2.219 6.513 1.00 1.85 H new ATOM 46 N SER A 4 13.931 -2.600 0.161 1.00 0.14 N ATOM 47 CA SER A 4 13.878 -2.749 -1.290 1.00 0.13 C ATOM 48 C SER A 4 13.500 -4.178 -1.678 1.00 0.15 C ATOM 49 O SER A 4 13.868 -5.139 -0.998 1.00 0.24 O ATOM 50 CB SER A 4 15.217 -2.365 -1.924 1.00 0.17 C ATOM 51 OG SER A 4 16.259 -3.231 -1.497 1.00 0.95 O ATOM 0 H SER A 4 13.996 -3.478 0.677 1.00 0.14 H new ATOM 0 HA SER A 4 13.109 -2.075 -1.668 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.132 -2.404 -3.010 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.465 -1.337 -1.660 1.00 0.17 H new ATOM 0 HG SER A 4 17.101 -2.962 -1.920 1.00 0.95 H new ATOM 57 N GLY A 5 12.762 -4.301 -2.768 1.00 0.14 N ATOM 58 CA GLY A 5 12.337 -5.595 -3.256 1.00 0.15 C ATOM 59 C GLY A 5 11.520 -5.448 -4.518 1.00 0.15 C ATOM 60 O GLY A 5 10.797 -4.469 -4.672 1.00 0.16 O ATOM 0 H GLY A 5 12.445 -3.513 -3.333 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.209 -6.219 -3.452 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.747 -6.102 -2.492 1.00 0.15 H new ATOM 64 N ALA A 6 11.639 -6.398 -5.429 1.00 0.16 N ATOM 65 CA ALA A 6 10.943 -6.308 -6.707 1.00 0.17 C ATOM 66 C ALA A 6 9.434 -6.526 -6.538 1.00 0.21 C ATOM 67 O ALA A 6 9.008 -7.349 -5.725 1.00 0.43 O ATOM 68 CB ALA A 6 11.517 -7.307 -7.699 1.00 0.21 C ATOM 0 H ALA A 6 12.207 -7.237 -5.312 1.00 0.16 H new ATOM 0 HA ALA A 6 11.094 -5.302 -7.098 1.00 0.17 H new ATOM 0 HB1 ALA A 6 10.985 -7.225 -8.647 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.575 -7.096 -7.857 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.403 -8.317 -7.305 1.00 0.21 H new ATOM 74 N ALA A 7 8.632 -5.790 -7.307 1.00 0.11 N ATOM 75 CA ALA A 7 7.177 -5.923 -7.253 1.00 0.12 C ATOM 76 C ALA A 7 6.528 -5.542 -8.581 1.00 0.12 C ATOM 77 O ALA A 7 7.076 -4.770 -9.356 1.00 0.13 O ATOM 78 CB ALA A 7 6.596 -5.062 -6.145 1.00 0.12 C ATOM 0 H ALA A 7 8.966 -5.095 -7.975 1.00 0.11 H new ATOM 0 HA ALA A 7 6.960 -6.971 -7.048 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.512 -5.178 -6.125 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.012 -5.373 -5.187 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.846 -4.017 -6.327 1.00 0.12 H new ATOM 84 N ILE A 8 5.350 -6.087 -8.817 1.00 0.15 N ATOM 85 CA ILE A 8 4.552 -5.789 -10.001 1.00 0.19 C ATOM 86 C ILE A 8 3.597 -4.648 -9.692 1.00 0.22 C ATOM 87 O ILE A 8 2.905 -4.668 -8.673 1.00 0.26 O ATOM 88 CB ILE A 8 3.728 -7.026 -10.464 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.616 -8.132 -11.061 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.667 -6.614 -11.471 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.523 -8.826 -10.065 1.00 0.25 C ATOM 0 H ILE A 8 4.911 -6.758 -8.187 1.00 0.15 H new ATOM 0 HA ILE A 8 5.235 -5.511 -10.804 1.00 0.19 H new ATOM 0 HB ILE A 8 3.247 -7.435 -9.576 1.00 0.23 H new ATOM 0 HG12 ILE A 8 3.976 -8.879 -11.530 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.231 -7.699 -11.850 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.101 -7.492 -11.783 1.00 0.29 H new ATOM 0 HG22 ILE A 8 1.992 -5.891 -11.013 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.146 -6.163 -12.340 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.110 -9.589 -10.577 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.194 -8.095 -9.613 1.00 0.25 H new ATOM 0 HD13 ILE A 8 4.919 -9.294 -9.288 1.00 0.25 H new ATOM 103 N PHE A 9 3.565 -3.660 -10.566 1.00 0.28 N ATOM 104 CA PHE A 9 2.701 -2.512 -10.380 1.00 0.34 C ATOM 105 C PHE A 9 2.085 -2.101 -11.706 1.00 0.46 C ATOM 106 O PHE A 9 2.792 -1.654 -12.601 1.00 0.52 O ATOM 107 CB PHE A 9 3.499 -1.359 -9.774 1.00 0.35 C ATOM 108 CG PHE A 9 2.746 -0.068 -9.619 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.830 0.100 -8.595 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.982 0.989 -10.481 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.162 1.298 -8.437 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.313 2.186 -10.330 1.00 0.56 C ATOM 113 CZ PHE A 9 1.403 2.341 -9.306 1.00 0.52 C ATOM 0 H PHE A 9 4.130 -3.630 -11.415 1.00 0.28 H new ATOM 0 HA PHE A 9 1.894 -2.776 -9.696 1.00 0.34 H new ATOM 0 HB2 PHE A 9 3.864 -1.667 -8.794 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.374 -1.177 -10.398 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.636 -0.714 -7.913 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.698 0.875 -11.281 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.451 1.418 -7.633 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.502 3.001 -11.013 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.880 3.278 -9.185 1.00 0.52 H new ATOM 123 N GLU A 10 0.769 -2.267 -11.821 1.00 0.58 N ATOM 124 CA GLU A 10 0.038 -1.975 -13.053 1.00 0.73 C ATOM 125 C GLU A 10 0.410 -2.971 -14.137 1.00 0.64 C ATOM 126 O GLU A 10 0.736 -2.604 -15.266 1.00 0.67 O ATOM 127 CB GLU A 10 0.284 -0.547 -13.531 1.00 0.87 C ATOM 128 CG GLU A 10 -0.112 0.500 -12.511 1.00 0.98 C ATOM 129 CD GLU A 10 0.046 1.911 -13.039 1.00 1.21 C ATOM 130 OE1 GLU A 10 1.181 2.292 -13.392 1.00 1.25 O ATOM 131 OE2 GLU A 10 -0.961 2.649 -13.099 1.00 1.46 O ATOM 0 H GLU A 10 0.179 -2.608 -11.062 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.026 -2.069 -12.836 1.00 0.73 H new ATOM 0 HB2 GLU A 10 1.340 -0.428 -13.772 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -0.274 -0.378 -14.452 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.149 0.340 -12.214 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.498 0.380 -11.616 1.00 0.98 H new ATOM 138 N LYS A 11 0.366 -4.238 -13.753 1.00 0.58 N ATOM 139 CA LYS A 11 0.555 -5.370 -14.667 1.00 0.55 C ATOM 140 C LYS A 11 1.983 -5.458 -15.218 1.00 0.49 C ATOM 141 O LYS A 11 2.278 -6.310 -16.057 1.00 0.56 O ATOM 142 CB LYS A 11 -0.461 -5.323 -15.821 1.00 0.65 C ATOM 143 CG LYS A 11 -1.916 -5.333 -15.360 1.00 0.74 C ATOM 144 CD LYS A 11 -2.484 -3.941 -15.228 1.00 1.29 C ATOM 145 CE LYS A 11 -3.769 -3.944 -14.429 1.00 1.32 C ATOM 146 NZ LYS A 11 -4.402 -2.599 -14.369 1.00 1.91 N ATOM 0 H LYS A 11 0.196 -4.519 -12.787 1.00 0.58 H new ATOM 0 HA LYS A 11 0.383 -6.271 -14.078 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.283 -4.425 -16.413 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.291 -6.177 -16.477 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -2.516 -5.902 -16.070 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -1.987 -5.845 -14.400 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -1.754 -3.293 -14.744 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -2.671 -3.527 -16.219 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -4.468 -4.652 -14.873 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -3.563 -4.291 -13.417 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -5.278 -2.652 -13.811 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.747 -1.927 -13.921 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -4.624 -2.276 -15.333 1.00 1.91 H new ATOM 160 N VAL A 12 2.869 -4.591 -14.751 1.00 0.44 N ATOM 161 CA VAL A 12 4.271 -4.657 -15.142 1.00 0.42 C ATOM 162 C VAL A 12 5.144 -5.038 -13.950 1.00 0.35 C ATOM 163 O VAL A 12 4.972 -4.514 -12.848 1.00 0.30 O ATOM 164 CB VAL A 12 4.782 -3.326 -15.756 1.00 0.47 C ATOM 165 CG1 VAL A 12 4.199 -2.130 -15.034 1.00 0.47 C ATOM 166 CG2 VAL A 12 6.302 -3.266 -15.714 1.00 0.46 C ATOM 0 H VAL A 12 2.644 -3.836 -14.103 1.00 0.44 H new ATOM 0 HA VAL A 12 4.343 -5.425 -15.912 1.00 0.42 H new ATOM 0 HB VAL A 12 4.454 -3.294 -16.795 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.575 -1.213 -15.487 1.00 0.47 H new ATOM 0 HG12 VAL A 12 3.112 -2.153 -15.111 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.489 -2.162 -13.984 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.641 -2.326 -16.149 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.640 -3.330 -14.680 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.715 -4.099 -16.283 1.00 0.46 H new ATOM 176 N SER A 13 6.065 -5.964 -14.176 1.00 0.35 N ATOM 177 CA SER A 13 7.015 -6.361 -13.154 1.00 0.30 C ATOM 178 C SER A 13 8.076 -5.284 -12.990 1.00 0.28 C ATOM 179 O SER A 13 8.679 -4.830 -13.966 1.00 0.40 O ATOM 180 CB SER A 13 7.661 -7.704 -13.512 1.00 0.34 C ATOM 181 OG SER A 13 8.516 -8.161 -12.476 1.00 1.02 O ATOM 0 H SER A 13 6.172 -6.455 -15.064 1.00 0.35 H new ATOM 0 HA SER A 13 6.486 -6.481 -12.208 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.884 -8.445 -13.697 1.00 0.34 H new ATOM 0 HB3 SER A 13 8.230 -7.601 -14.436 1.00 0.34 H new ATOM 0 HG SER A 13 8.911 -9.020 -12.733 1.00 1.02 H new ATOM 187 N GLY A 14 8.286 -4.864 -11.759 1.00 0.16 N ATOM 188 CA GLY A 14 9.250 -3.832 -11.490 1.00 0.14 C ATOM 189 C GLY A 14 9.904 -3.997 -10.147 1.00 0.12 C ATOM 190 O GLY A 14 9.905 -5.088 -9.585 1.00 0.14 O ATOM 0 H GLY A 14 7.802 -5.223 -10.936 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.014 -3.841 -12.267 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.760 -2.859 -11.536 1.00 0.14 H new ATOM 194 N ILE A 15 10.474 -2.926 -9.635 1.00 0.11 N ATOM 195 CA ILE A 15 11.169 -2.975 -8.368 1.00 0.12 C ATOM 196 C ILE A 15 10.637 -1.919 -7.420 1.00 0.10 C ATOM 197 O ILE A 15 10.136 -0.894 -7.840 1.00 0.08 O ATOM 198 CB ILE A 15 12.683 -2.771 -8.544 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.203 -3.575 -9.735 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.439 -3.157 -7.280 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.222 -5.072 -9.553 1.00 0.19 C ATOM 0 H ILE A 15 10.469 -2.008 -10.080 1.00 0.11 H new ATOM 0 HA ILE A 15 10.994 -3.966 -7.949 1.00 0.12 H new ATOM 0 HB ILE A 15 12.855 -1.712 -8.736 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.589 -3.341 -10.604 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.216 -3.242 -9.961 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.507 -3.003 -7.433 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.099 -2.539 -6.449 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.253 -4.206 -7.051 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.608 -5.544 -10.457 1.00 0.19 H new ATOM 0 HD12 ILE A 15 13.862 -5.328 -8.708 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.210 -5.428 -9.362 1.00 0.19 H new ATOM 213 N ILE A 16 10.751 -2.193 -6.145 1.00 0.13 N ATOM 214 CA ILE A 16 10.316 -1.278 -5.104 1.00 0.11 C ATOM 215 C ILE A 16 11.481 -0.950 -4.186 1.00 0.12 C ATOM 216 O ILE A 16 12.237 -1.835 -3.786 1.00 0.15 O ATOM 217 CB ILE A 16 9.144 -1.880 -4.292 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.882 -1.067 -4.530 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.445 -1.933 -2.797 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.659 -1.653 -3.863 1.00 0.16 C ATOM 0 H ILE A 16 11.150 -3.062 -5.791 1.00 0.13 H new ATOM 0 HA ILE A 16 9.963 -0.361 -5.575 1.00 0.11 H new ATOM 0 HB ILE A 16 9.001 -2.904 -4.636 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.037 -0.053 -4.162 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.702 -0.993 -5.603 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.593 -2.363 -2.269 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.327 -2.550 -2.625 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.630 -0.924 -2.427 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.794 -1.024 -4.073 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.480 -2.657 -4.248 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.820 -1.701 -2.786 1.00 0.16 H new ATOM 232 N ALA A 17 11.660 0.321 -3.895 1.00 0.10 N ATOM 233 CA ALA A 17 12.692 0.734 -2.964 1.00 0.10 C ATOM 234 C ALA A 17 12.196 1.807 -2.003 1.00 0.08 C ATOM 235 O ALA A 17 11.949 2.941 -2.398 1.00 0.08 O ATOM 236 CB ALA A 17 13.922 1.205 -3.715 1.00 0.12 C ATOM 0 H ALA A 17 11.108 1.084 -4.287 1.00 0.10 H new ATOM 0 HA ALA A 17 12.961 -0.134 -2.362 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.688 1.512 -3.003 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.305 0.392 -4.332 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.659 2.050 -4.351 1.00 0.12 H new ATOM 242 N ILE A 18 12.050 1.438 -0.744 1.00 0.08 N ATOM 243 CA ILE A 18 11.739 2.385 0.311 1.00 0.08 C ATOM 244 C ILE A 18 13.029 2.999 0.813 1.00 0.09 C ATOM 245 O ILE A 18 13.906 2.294 1.305 1.00 0.18 O ATOM 246 CB ILE A 18 11.062 1.746 1.535 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.920 0.822 1.128 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.567 2.839 2.478 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.349 -0.610 0.958 1.00 0.12 C ATOM 0 H ILE A 18 12.144 0.474 -0.424 1.00 0.08 H new ATOM 0 HA ILE A 18 11.054 3.110 -0.128 1.00 0.08 H new ATOM 0 HB ILE A 18 11.800 1.134 2.053 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.134 0.872 1.882 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.488 1.179 0.193 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.088 2.383 3.344 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.411 3.445 2.807 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.848 3.471 1.957 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.490 -1.215 0.668 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.114 -0.671 0.184 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.754 -0.982 1.899 1.00 0.12 H new ATOM 261 N ASN A 19 13.155 4.291 0.697 1.00 0.13 N ATOM 262 CA ASN A 19 14.336 4.967 1.174 1.00 0.18 C ATOM 263 C ASN A 19 13.961 5.986 2.208 1.00 0.20 C ATOM 264 O ASN A 19 13.123 6.848 1.951 1.00 0.21 O ATOM 265 CB ASN A 19 15.074 5.626 0.001 1.00 0.22 C ATOM 266 CG ASN A 19 15.982 6.765 0.431 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.464 7.984 0.367 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.134 6.556 0.801 1.00 0.29 N flip ATOM 0 H ASN A 19 12.455 4.901 0.276 1.00 0.13 H new ATOM 0 HA ASN A 19 15.004 4.240 1.635 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.667 4.872 -0.516 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.343 6.003 -0.715 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.493 5.602 0.836 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.732 7.336 1.074 1.00 0.29 H new ATOM 275 N GLU A 20 14.535 5.887 3.398 1.00 0.24 N ATOM 276 CA GLU A 20 14.457 7.024 4.261 1.00 0.28 C ATOM 277 C GLU A 20 15.851 7.636 4.338 1.00 0.34 C ATOM 278 O GLU A 20 16.628 7.373 5.257 1.00 0.40 O ATOM 279 CB GLU A 20 14.026 6.570 5.660 1.00 0.33 C ATOM 280 CG GLU A 20 12.800 5.677 5.664 1.00 0.33 C ATOM 281 CD GLU A 20 12.655 4.883 6.945 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.260 5.469 7.975 1.00 0.70 O ATOM 283 OE2 GLU A 20 12.941 3.664 6.931 1.00 0.74 O ATOM 0 H GLU A 20 15.031 5.073 3.762 1.00 0.24 H new ATOM 0 HA GLU A 20 13.735 7.748 3.884 1.00 0.28 H new ATOM 0 HB2 GLU A 20 14.853 6.038 6.130 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.825 7.450 6.271 1.00 0.33 H new ATOM 0 HG2 GLU A 20 11.910 6.289 5.519 1.00 0.33 H new ATOM 0 HG3 GLU A 20 12.855 4.989 4.820 1.00 0.33 H new ATOM 290 N ASP A 21 16.148 8.445 3.342 1.00 0.35 N ATOM 291 CA ASP A 21 17.162 9.484 3.385 1.00 0.41 C ATOM 292 C ASP A 21 16.458 10.785 3.073 1.00 0.41 C ATOM 293 O ASP A 21 16.974 11.887 3.248 1.00 0.46 O ATOM 294 CB ASP A 21 18.274 9.182 2.375 1.00 0.44 C ATOM 295 CG ASP A 21 19.281 10.307 2.245 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.070 10.517 3.191 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.283 10.991 1.201 1.00 0.53 O ATOM 0 H ASP A 21 15.671 8.396 2.442 1.00 0.35 H new ATOM 0 HA ASP A 21 17.641 9.541 4.363 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.792 8.272 2.676 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.828 8.987 1.400 1.00 0.44 H new ATOM 302 N VAL A 22 15.227 10.587 2.634 1.00 0.35 N ATOM 303 CA VAL A 22 14.500 11.526 1.802 1.00 0.33 C ATOM 304 C VAL A 22 13.468 12.328 2.605 1.00 0.31 C ATOM 305 O VAL A 22 13.283 12.096 3.803 1.00 0.30 O ATOM 306 CB VAL A 22 13.789 10.673 0.708 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.765 9.752 1.343 1.00 0.25 C ATOM 308 CG2 VAL A 22 13.136 11.490 -0.389 1.00 0.32 C ATOM 0 H VAL A 22 14.693 9.746 2.853 1.00 0.35 H new ATOM 0 HA VAL A 22 15.183 12.258 1.371 1.00 0.33 H new ATOM 0 HB VAL A 22 14.577 10.093 0.227 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.276 9.162 0.568 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.263 9.085 2.047 1.00 0.25 H new ATOM 0 HG13 VAL A 22 12.019 10.346 1.871 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.664 10.821 -1.109 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.382 12.146 0.046 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.892 12.091 -0.894 1.00 0.32 H new ATOM 318 N SER A 23 12.822 13.279 1.932 1.00 0.32 N ATOM 319 CA SER A 23 11.625 13.943 2.436 1.00 0.28 C ATOM 320 C SER A 23 10.622 12.842 2.776 1.00 0.18 C ATOM 321 O SER A 23 10.822 11.737 2.286 1.00 0.16 O ATOM 322 CB SER A 23 11.099 14.898 1.358 1.00 0.35 C ATOM 323 OG SER A 23 10.871 14.211 0.137 1.00 1.31 O ATOM 0 H SER A 23 13.119 13.612 1.014 1.00 0.32 H new ATOM 0 HA SER A 23 11.818 14.540 3.327 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.172 15.360 1.698 1.00 0.35 H new ATOM 0 HB3 SER A 23 11.817 15.703 1.198 1.00 0.35 H new ATOM 0 HG SER A 23 10.534 14.840 -0.535 1.00 1.31 H new ATOM 329 N PRO A 24 9.512 13.076 3.524 1.00 0.16 N ATOM 330 CA PRO A 24 8.891 12.010 4.337 1.00 0.16 C ATOM 331 C PRO A 24 8.841 10.699 3.575 1.00 0.15 C ATOM 332 O PRO A 24 8.342 10.654 2.448 1.00 0.22 O ATOM 333 CB PRO A 24 7.474 12.541 4.571 1.00 0.21 C ATOM 334 CG PRO A 24 7.317 13.636 3.582 1.00 0.19 C ATOM 335 CD PRO A 24 8.670 14.275 3.532 1.00 0.17 C ATOM 0 HA PRO A 24 9.440 11.802 5.255 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.728 11.761 4.420 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.351 12.907 5.590 1.00 0.21 H new ATOM 0 HG2 PRO A 24 7.020 13.253 2.606 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.551 14.347 3.892 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.809 14.889 2.642 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.862 14.914 4.394 1.00 0.17 H new ATOM 343 N ALA A 25 9.340 9.651 4.247 1.00 0.15 N ATOM 344 CA ALA A 25 9.881 8.449 3.598 1.00 0.14 C ATOM 345 C ALA A 25 9.222 8.105 2.290 1.00 0.14 C ATOM 346 O ALA A 25 7.997 8.089 2.166 1.00 0.18 O ATOM 347 CB ALA A 25 9.836 7.252 4.511 1.00 0.20 C ATOM 0 H ALA A 25 9.379 9.614 5.266 1.00 0.15 H new ATOM 0 HA ALA A 25 10.918 8.704 3.377 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.245 6.384 3.994 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.427 7.453 5.404 1.00 0.20 H new ATOM 0 HB3 ALA A 25 8.804 7.051 4.797 1.00 0.20 H new ATOM 353 N GLU A 26 10.054 7.764 1.337 1.00 0.14 N ATOM 354 CA GLU A 26 9.603 7.578 -0.009 1.00 0.15 C ATOM 355 C GLU A 26 9.938 6.179 -0.502 1.00 0.11 C ATOM 356 O GLU A 26 11.051 5.682 -0.334 1.00 0.13 O ATOM 357 CB GLU A 26 10.161 8.663 -0.957 1.00 0.27 C ATOM 358 CG GLU A 26 9.560 10.036 -0.706 1.00 0.66 C ATOM 359 CD GLU A 26 9.827 11.024 -1.826 1.00 0.71 C ATOM 360 OE1 GLU A 26 10.878 10.925 -2.493 1.00 1.26 O ATOM 361 OE2 GLU A 26 8.985 11.923 -2.037 1.00 1.14 O ATOM 0 H GLU A 26 11.053 7.610 1.476 1.00 0.14 H new ATOM 0 HA GLU A 26 8.518 7.684 -0.012 1.00 0.15 H new ATOM 0 HB2 GLU A 26 11.243 8.719 -0.839 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.967 8.371 -1.989 1.00 0.27 H new ATOM 0 HG2 GLU A 26 8.483 9.934 -0.570 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.962 10.436 0.225 1.00 0.66 H new ATOM 368 N LEU A 27 8.942 5.556 -1.089 1.00 0.10 N ATOM 369 CA LEU A 27 9.080 4.273 -1.744 1.00 0.09 C ATOM 370 C LEU A 27 9.165 4.559 -3.211 1.00 0.09 C ATOM 371 O LEU A 27 8.481 5.437 -3.701 1.00 0.13 O ATOM 372 CB LEU A 27 7.848 3.401 -1.443 1.00 0.11 C ATOM 373 CG LEU A 27 7.639 2.140 -2.310 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.629 1.249 -1.640 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.130 2.472 -3.716 1.00 0.11 C ATOM 0 H LEU A 27 7.995 5.933 -1.126 1.00 0.10 H new ATOM 0 HA LEU A 27 9.962 3.736 -1.395 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.904 3.087 -0.401 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.961 4.027 -1.540 1.00 0.11 H new ATOM 0 HG LEU A 27 8.607 1.649 -2.409 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.474 0.355 -2.245 1.00 0.15 H new ATOM 0 HD12 LEU A 27 6.995 0.961 -0.654 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.685 1.784 -1.535 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.000 1.550 -4.283 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.174 2.991 -3.644 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.853 3.111 -4.223 1.00 0.11 H new ATOM 387 N THR A 28 9.975 3.835 -3.918 1.00 0.08 N ATOM 388 CA THR A 28 10.121 4.101 -5.317 1.00 0.09 C ATOM 389 C THR A 28 9.986 2.828 -6.115 1.00 0.08 C ATOM 390 O THR A 28 10.841 1.946 -6.047 1.00 0.10 O ATOM 391 CB THR A 28 11.461 4.785 -5.621 1.00 0.14 C ATOM 392 OG1 THR A 28 11.629 5.926 -4.768 1.00 0.21 O ATOM 393 CG2 THR A 28 11.501 5.230 -7.066 1.00 0.14 C ATOM 0 H THR A 28 10.539 3.065 -3.558 1.00 0.08 H new ATOM 0 HA THR A 28 9.324 4.784 -5.610 1.00 0.09 H new ATOM 0 HB THR A 28 12.267 4.073 -5.441 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.486 6.358 -4.965 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.456 5.714 -7.271 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.386 4.363 -7.717 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.690 5.934 -7.253 1.00 0.14 H new ATOM 401 N TRP A 29 8.885 2.715 -6.835 1.00 0.08 N ATOM 402 CA TRP A 29 8.711 1.591 -7.728 1.00 0.08 C ATOM 403 C TRP A 29 9.354 1.904 -9.059 1.00 0.08 C ATOM 404 O TRP A 29 8.881 2.738 -9.820 1.00 0.12 O ATOM 405 CB TRP A 29 7.242 1.238 -7.929 1.00 0.11 C ATOM 406 CG TRP A 29 7.049 0.021 -8.792 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.081 -1.284 -8.391 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.806 -0.004 -10.203 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.867 -2.115 -9.463 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.700 -1.353 -10.585 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.666 0.984 -11.178 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.462 -1.737 -11.899 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.431 0.599 -12.480 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.332 -0.749 -12.831 1.00 0.24 C ATOM 0 H TRP A 29 8.110 3.378 -6.819 1.00 0.08 H new ATOM 0 HA TRP A 29 9.192 0.725 -7.273 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.778 1.067 -6.958 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.728 2.085 -8.383 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.250 -1.615 -7.377 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.838 -3.134 -9.428 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.740 2.029 -10.918 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.383 -2.779 -12.172 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.321 1.354 -13.244 1.00 0.24 H new ATOM 0 HH2 TRP A 29 6.149 -1.015 -13.862 1.00 0.24 H new ATOM 425 N ARG A 30 10.446 1.236 -9.309 1.00 0.10 N ATOM 426 CA ARG A 30 11.195 1.404 -10.525 1.00 0.12 C ATOM 427 C ARG A 30 11.145 0.101 -11.305 1.00 0.13 C ATOM 428 O ARG A 30 11.658 -0.909 -10.839 1.00 0.15 O ATOM 429 CB ARG A 30 12.632 1.787 -10.165 1.00 0.15 C ATOM 430 CG ARG A 30 13.558 1.889 -11.354 1.00 0.21 C ATOM 431 CD ARG A 30 14.471 0.681 -11.446 1.00 0.32 C ATOM 432 NE ARG A 30 15.270 0.699 -12.672 1.00 0.33 N ATOM 433 CZ ARG A 30 15.861 -0.368 -13.203 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.726 -1.562 -12.635 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.590 -0.240 -14.306 1.00 0.51 N ATOM 0 H ARG A 30 10.846 0.552 -8.667 1.00 0.10 H new ATOM 0 HA ARG A 30 10.774 2.195 -11.145 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.622 2.744 -9.643 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.031 1.048 -9.470 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.971 1.975 -12.269 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.158 2.796 -11.274 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.133 0.658 -10.580 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.874 -0.230 -11.414 1.00 0.32 H new ATOM 0 HE ARG A 30 15.381 1.592 -13.153 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.167 -1.663 -11.788 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.181 -2.377 -13.046 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.696 0.675 -14.744 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.044 -1.057 -14.715 1.00 0.51 H new ATOM 449 N SER A 31 10.519 0.118 -12.475 1.00 0.16 N ATOM 450 CA SER A 31 10.296 -1.101 -13.232 1.00 0.18 C ATOM 451 C SER A 31 11.613 -1.805 -13.520 1.00 0.20 C ATOM 452 O SER A 31 12.660 -1.173 -13.632 1.00 0.24 O ATOM 453 CB SER A 31 9.543 -0.801 -14.533 1.00 0.28 C ATOM 454 OG SER A 31 10.261 0.100 -15.357 1.00 0.75 O ATOM 0 H SER A 31 10.158 0.963 -12.918 1.00 0.16 H new ATOM 0 HA SER A 31 9.680 -1.768 -12.629 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.369 -1.730 -15.075 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.565 -0.380 -14.299 1.00 0.28 H new ATOM 0 HG SER A 31 10.238 -0.216 -16.284 1.00 0.75 H new ATOM 460 N THR A 32 11.537 -3.123 -13.620 1.00 0.20 N ATOM 461 CA THR A 32 12.711 -3.964 -13.826 1.00 0.26 C ATOM 462 C THR A 32 13.446 -3.552 -15.104 1.00 0.30 C ATOM 463 O THR A 32 14.662 -3.700 -15.216 1.00 0.38 O ATOM 464 CB THR A 32 12.298 -5.446 -13.916 1.00 0.31 C ATOM 465 OG1 THR A 32 11.466 -5.776 -12.797 1.00 0.31 O ATOM 466 CG2 THR A 32 13.514 -6.360 -13.930 1.00 0.39 C ATOM 0 H THR A 32 10.661 -3.642 -13.561 1.00 0.20 H new ATOM 0 HA THR A 32 13.381 -3.833 -12.976 1.00 0.26 H new ATOM 0 HB THR A 32 11.752 -5.593 -14.848 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.201 -6.718 -12.853 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.188 -7.398 -13.994 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.138 -6.122 -14.791 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.088 -6.216 -13.015 1.00 0.39 H new ATOM 474 N ASP A 33 12.683 -3.023 -16.056 1.00 0.32 N ATOM 475 CA ASP A 33 13.220 -2.523 -17.307 1.00 0.39 C ATOM 476 C ASP A 33 13.801 -1.120 -17.147 1.00 0.37 C ATOM 477 O ASP A 33 14.714 -0.733 -17.872 1.00 0.44 O ATOM 478 CB ASP A 33 12.118 -2.511 -18.362 1.00 0.52 C ATOM 479 CG ASP A 33 10.775 -2.093 -17.798 1.00 1.60 C ATOM 480 OD1 ASP A 33 10.016 -2.969 -17.338 1.00 2.07 O ATOM 481 OD2 ASP A 33 10.469 -0.884 -17.825 1.00 2.33 O ATOM 0 H ASP A 33 11.670 -2.931 -15.976 1.00 0.32 H new ATOM 0 HA ASP A 33 14.028 -3.184 -17.620 1.00 0.39 H new ATOM 0 HB2 ASP A 33 12.398 -1.831 -19.166 1.00 0.52 H new ATOM 0 HB3 ASP A 33 12.030 -3.505 -18.801 1.00 0.52 H new ATOM 486 N GLY A 34 13.272 -0.362 -16.194 1.00 0.36 N ATOM 487 CA GLY A 34 13.782 0.971 -15.936 1.00 0.37 C ATOM 488 C GLY A 34 12.929 2.064 -16.547 1.00 0.42 C ATOM 489 O GLY A 34 13.187 3.251 -16.336 1.00 0.55 O ATOM 0 H GLY A 34 12.498 -0.647 -15.594 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.845 1.127 -14.859 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.796 1.048 -16.329 1.00 0.37 H new ATOM 493 N ASP A 35 11.915 1.671 -17.307 1.00 0.45 N ATOM 494 CA ASP A 35 11.033 2.629 -17.968 1.00 0.55 C ATOM 495 C ASP A 35 10.189 3.420 -16.974 1.00 0.46 C ATOM 496 O ASP A 35 10.183 4.652 -16.998 1.00 0.74 O ATOM 497 CB ASP A 35 10.137 1.912 -18.973 1.00 0.73 C ATOM 498 CG ASP A 35 8.894 2.699 -19.340 1.00 0.89 C ATOM 499 OD1 ASP A 35 9.036 3.772 -19.961 1.00 1.13 O ATOM 500 OD2 ASP A 35 7.776 2.261 -18.993 1.00 0.92 O ATOM 0 H ASP A 35 11.681 0.694 -17.482 1.00 0.45 H new ATOM 0 HA ASP A 35 11.666 3.345 -18.493 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.709 1.708 -19.878 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.839 0.948 -18.560 1.00 0.73 H new ATOM 505 N LYS A 36 9.500 2.721 -16.090 1.00 0.34 N ATOM 506 CA LYS A 36 8.571 3.373 -15.177 1.00 0.34 C ATOM 507 C LYS A 36 9.135 3.511 -13.782 1.00 0.27 C ATOM 508 O LYS A 36 9.833 2.631 -13.278 1.00 0.34 O ATOM 509 CB LYS A 36 7.239 2.639 -15.108 1.00 0.55 C ATOM 510 CG LYS A 36 6.299 3.011 -16.226 1.00 0.92 C ATOM 511 CD LYS A 36 5.097 2.080 -16.279 1.00 0.90 C ATOM 512 CE LYS A 36 4.142 2.334 -15.121 1.00 1.25 C ATOM 513 NZ LYS A 36 2.925 1.485 -15.201 1.00 2.03 N ATOM 0 H LYS A 36 9.563 1.709 -15.983 1.00 0.34 H new ATOM 0 HA LYS A 36 8.409 4.371 -15.584 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.421 1.565 -15.137 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.761 2.855 -14.153 1.00 0.55 H new ATOM 0 HG2 LYS A 36 5.959 4.038 -16.090 1.00 0.92 H new ATOM 0 HG3 LYS A 36 6.831 2.974 -17.177 1.00 0.92 H new ATOM 0 HD2 LYS A 36 4.570 2.218 -17.223 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.436 1.044 -16.252 1.00 0.90 H new ATOM 0 HE2 LYS A 36 4.656 2.141 -14.179 1.00 1.25 H new ATOM 0 HE3 LYS A 36 3.851 3.384 -15.116 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 2.145 1.948 -14.692 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 2.658 1.354 -16.198 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 3.119 0.559 -14.770 1.00 2.03 H new ATOM 527 N VAL A 37 8.797 4.627 -13.172 1.00 0.22 N ATOM 528 CA VAL A 37 9.192 4.924 -11.800 1.00 0.21 C ATOM 529 C VAL A 37 8.052 5.632 -11.076 1.00 0.22 C ATOM 530 O VAL A 37 7.649 6.735 -11.452 1.00 0.32 O ATOM 531 CB VAL A 37 10.467 5.803 -11.739 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.754 6.244 -10.312 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.670 5.063 -12.308 1.00 0.55 C ATOM 0 H VAL A 37 8.239 5.360 -13.610 1.00 0.22 H new ATOM 0 HA VAL A 37 9.416 3.976 -11.311 1.00 0.21 H new ATOM 0 HB VAL A 37 10.286 6.688 -12.348 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.653 6.860 -10.295 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.911 6.823 -9.934 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.903 5.366 -9.683 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.550 5.703 -12.253 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.845 4.155 -11.731 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.477 4.801 -13.348 1.00 0.55 H new ATOM 543 N HIS A 38 7.530 4.986 -10.049 1.00 0.17 N ATOM 544 CA HIS A 38 6.424 5.523 -9.285 1.00 0.19 C ATOM 545 C HIS A 38 6.806 5.613 -7.812 1.00 0.17 C ATOM 546 O HIS A 38 6.931 4.593 -7.136 1.00 0.17 O ATOM 547 CB HIS A 38 5.217 4.612 -9.449 1.00 0.25 C ATOM 548 CG HIS A 38 3.907 5.274 -9.149 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.917 5.440 -10.091 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.425 5.812 -8.007 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.887 6.049 -9.542 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.165 6.292 -8.274 1.00 0.69 N ATOM 0 H HIS A 38 7.861 4.078 -9.724 1.00 0.17 H new ATOM 0 HA HIS A 38 6.181 6.522 -9.648 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.196 4.235 -10.472 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.335 3.749 -8.794 1.00 0.25 H new ATOM 0 HD1 HIS A 38 2.973 5.138 -11.064 1.00 0.52 H new ATOM 0 HD2 HIS A 38 3.937 5.857 -7.057 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.967 6.307 -10.045 1.00 0.67 H new ATOM 561 N THR A 39 6.982 6.822 -7.314 1.00 0.18 N ATOM 562 CA THR A 39 7.417 7.008 -5.941 1.00 0.17 C ATOM 563 C THR A 39 6.221 7.283 -5.011 1.00 0.19 C ATOM 564 O THR A 39 5.309 8.031 -5.367 1.00 0.30 O ATOM 565 CB THR A 39 8.419 8.175 -5.837 1.00 0.22 C ATOM 566 OG1 THR A 39 9.498 7.980 -6.764 1.00 0.23 O ATOM 567 CG2 THR A 39 8.976 8.291 -4.428 1.00 0.23 C ATOM 0 H THR A 39 6.832 7.686 -7.835 1.00 0.18 H new ATOM 0 HA THR A 39 7.904 6.085 -5.628 1.00 0.17 H new ATOM 0 HB THR A 39 7.890 9.097 -6.079 1.00 0.22 H new ATOM 0 HG1 THR A 39 10.129 8.726 -6.693 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.680 9.122 -4.382 1.00 0.23 H new ATOM 0 HG22 THR A 39 8.160 8.468 -3.728 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.488 7.366 -4.162 1.00 0.23 H new ATOM 575 N VAL A 40 6.228 6.666 -3.832 1.00 0.13 N ATOM 576 CA VAL A 40 5.181 6.857 -2.833 1.00 0.18 C ATOM 577 C VAL A 40 5.700 7.620 -1.608 1.00 0.11 C ATOM 578 O VAL A 40 6.743 7.270 -1.058 1.00 0.11 O ATOM 579 CB VAL A 40 4.638 5.493 -2.360 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.792 5.653 -1.118 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.835 4.815 -3.449 1.00 0.66 C ATOM 0 H VAL A 40 6.961 6.019 -3.542 1.00 0.13 H new ATOM 0 HA VAL A 40 4.390 7.439 -3.306 1.00 0.18 H new ATOM 0 HB VAL A 40 5.495 4.863 -2.123 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.420 4.678 -0.803 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.395 6.086 -0.320 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.950 6.310 -1.334 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.466 3.856 -3.085 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.991 5.447 -3.726 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.469 4.653 -4.321 1.00 0.66 H new ATOM 591 N VAL A 41 4.972 8.655 -1.185 1.00 0.10 N ATOM 592 CA VAL A 41 5.277 9.352 0.057 1.00 0.10 C ATOM 593 C VAL A 41 4.507 8.714 1.203 1.00 0.08 C ATOM 594 O VAL A 41 3.288 8.854 1.307 1.00 0.09 O ATOM 595 CB VAL A 41 4.946 10.860 -0.013 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.334 11.564 1.287 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.645 11.504 -1.200 1.00 0.18 C ATOM 0 H VAL A 41 4.166 9.027 -1.688 1.00 0.10 H new ATOM 0 HA VAL A 41 6.350 9.262 0.224 1.00 0.10 H new ATOM 0 HB VAL A 41 3.869 10.966 -0.147 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.091 12.624 1.213 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.784 11.123 2.118 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.404 11.448 1.458 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.401 12.566 -1.234 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.723 11.383 -1.097 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.313 11.026 -2.121 1.00 0.18 H new ATOM 607 N LEU A 42 5.239 8.019 2.045 1.00 0.08 N ATOM 608 CA LEU A 42 4.692 7.299 3.198 1.00 0.09 C ATOM 609 C LEU A 42 3.839 8.186 4.100 1.00 0.10 C ATOM 610 O LEU A 42 2.937 7.700 4.772 1.00 0.12 O ATOM 611 CB LEU A 42 5.824 6.687 4.023 1.00 0.10 C ATOM 612 CG LEU A 42 6.399 5.360 3.510 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.504 4.221 3.948 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.559 5.352 1.994 1.00 0.10 C ATOM 0 H LEU A 42 6.251 7.930 1.955 1.00 0.08 H new ATOM 0 HA LEU A 42 4.047 6.517 2.798 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.636 7.412 4.081 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.462 6.533 5.039 1.00 0.10 H new ATOM 0 HG LEU A 42 7.394 5.237 3.938 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.911 3.278 3.584 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.451 4.198 5.036 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.504 4.366 3.539 1.00 0.12 H new ATOM 0 HD21 LEU A 42 6.969 4.393 1.676 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.587 5.504 1.525 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.236 6.153 1.695 1.00 0.10 H new ATOM 626 N SER A 43 4.122 9.479 4.126 1.00 0.12 N ATOM 627 CA SER A 43 3.350 10.390 4.959 1.00 0.15 C ATOM 628 C SER A 43 1.984 10.678 4.351 1.00 0.14 C ATOM 629 O SER A 43 1.005 10.856 5.070 1.00 0.17 O ATOM 630 CB SER A 43 4.107 11.683 5.191 1.00 0.20 C ATOM 631 OG SER A 43 5.256 11.442 5.968 1.00 1.06 O ATOM 0 H SER A 43 4.870 9.918 3.588 1.00 0.12 H new ATOM 0 HA SER A 43 3.194 9.901 5.921 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.391 12.123 4.235 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.463 12.404 5.695 1.00 0.20 H new ATOM 0 HG SER A 43 5.035 11.538 6.918 1.00 1.06 H new ATOM 637 N THR A 44 1.918 10.732 3.023 1.00 0.13 N ATOM 638 CA THR A 44 0.633 10.866 2.343 1.00 0.14 C ATOM 639 C THR A 44 -0.108 9.533 2.376 1.00 0.13 C ATOM 640 O THR A 44 -1.290 9.452 2.050 1.00 0.18 O ATOM 641 CB THR A 44 0.788 11.351 0.882 1.00 0.16 C ATOM 642 OG1 THR A 44 1.552 10.414 0.109 1.00 0.17 O ATOM 643 CG2 THR A 44 1.464 12.714 0.832 1.00 0.20 C ATOM 0 H THR A 44 2.727 10.686 2.404 1.00 0.13 H new ATOM 0 HA THR A 44 0.058 11.624 2.874 1.00 0.14 H new ATOM 0 HB THR A 44 -0.212 11.432 0.457 1.00 0.16 H new ATOM 0 HG1 THR A 44 1.979 9.767 0.708 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.562 13.034 -0.205 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.862 13.439 1.380 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.453 12.647 1.286 1.00 0.20 H new ATOM 651 N ILE A 45 0.618 8.495 2.763 1.00 0.11 N ATOM 652 CA ILE A 45 0.064 7.179 2.987 1.00 0.12 C ATOM 653 C ILE A 45 -0.580 7.075 4.375 1.00 0.16 C ATOM 654 O ILE A 45 0.081 7.227 5.402 1.00 0.23 O ATOM 655 CB ILE A 45 1.162 6.112 2.837 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.742 6.147 1.421 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.624 4.733 3.154 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.727 5.856 0.321 1.00 0.10 C ATOM 0 H ILE A 45 1.623 8.550 2.931 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.711 7.008 2.240 1.00 0.12 H new ATOM 0 HB ILE A 45 1.957 6.336 3.549 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.180 7.129 1.244 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.551 5.420 1.354 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.420 3.997 3.040 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.255 4.713 4.179 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.191 4.494 2.471 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.220 5.901 -0.650 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.306 4.862 0.469 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.071 6.597 0.357 1.00 0.10 H new ATOM 670 N ASP A 46 -1.884 6.842 4.381 1.00 0.16 N ATOM 671 CA ASP A 46 -2.650 6.651 5.608 1.00 0.22 C ATOM 672 C ASP A 46 -2.374 5.281 6.230 1.00 0.22 C ATOM 673 O ASP A 46 -2.144 5.174 7.437 1.00 0.28 O ATOM 674 CB ASP A 46 -4.146 6.791 5.301 1.00 0.28 C ATOM 675 CG ASP A 46 -5.023 6.712 6.537 1.00 0.46 C ATOM 676 OD1 ASP A 46 -5.240 7.753 7.186 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.477 5.601 6.882 1.00 0.61 O ATOM 0 H ASP A 46 -2.445 6.779 3.532 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.345 7.413 6.326 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.320 7.744 4.801 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.442 6.007 4.604 1.00 0.28 H new ATOM 682 N LYS A 47 -2.391 4.238 5.401 1.00 0.21 N ATOM 683 CA LYS A 47 -2.169 2.867 5.866 1.00 0.27 C ATOM 684 C LYS A 47 -1.326 2.099 4.863 1.00 0.18 C ATOM 685 O LYS A 47 -1.282 2.449 3.691 1.00 0.20 O ATOM 686 CB LYS A 47 -3.496 2.106 6.029 1.00 0.41 C ATOM 687 CG LYS A 47 -4.469 2.710 7.025 1.00 1.07 C ATOM 688 CD LYS A 47 -3.973 2.576 8.452 1.00 1.01 C ATOM 689 CE LYS A 47 -5.008 3.080 9.444 1.00 1.60 C ATOM 690 NZ LYS A 47 -5.319 4.517 9.237 1.00 1.95 N ATOM 0 H LYS A 47 -2.557 4.316 4.398 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.662 2.938 6.828 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -3.985 2.048 5.057 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.275 1.084 6.336 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.621 3.764 6.791 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.438 2.219 6.930 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -3.742 1.532 8.663 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.047 3.138 8.572 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.921 2.493 9.346 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -4.641 2.931 10.459 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -6.041 4.818 9.922 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -4.456 5.082 9.372 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -5.678 4.659 8.271 1.00 1.95 H new ATOM 704 N LEU A 48 -0.665 1.052 5.312 1.00 0.14 N ATOM 705 CA LEU A 48 -0.066 0.105 4.396 1.00 0.10 C ATOM 706 C LEU A 48 -0.591 -1.289 4.677 1.00 0.11 C ATOM 707 O LEU A 48 -0.734 -1.696 5.826 1.00 0.14 O ATOM 708 CB LEU A 48 1.453 0.080 4.485 1.00 0.10 C ATOM 709 CG LEU A 48 2.071 -1.174 3.880 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.001 -1.146 2.376 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.493 -1.325 4.313 1.00 0.13 C ATOM 0 H LEU A 48 -0.530 0.836 6.300 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.339 0.428 3.391 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.854 0.956 3.976 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.750 0.155 5.531 1.00 0.10 H new ATOM 0 HG LEU A 48 1.496 -2.027 4.239 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.450 -2.054 1.974 1.00 0.12 H new ATOM 0 HD12 LEU A 48 0.959 -1.086 2.061 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.543 -0.277 2.003 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.915 -2.227 3.869 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.067 -0.458 3.987 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.536 -1.401 5.399 1.00 0.13 H new ATOM 723 N GLN A 49 -0.819 -2.014 3.611 1.00 0.10 N ATOM 724 CA GLN A 49 -1.331 -3.367 3.674 1.00 0.11 C ATOM 725 C GLN A 49 -0.274 -4.340 3.192 1.00 0.10 C ATOM 726 O GLN A 49 0.628 -3.968 2.441 1.00 0.12 O ATOM 727 CB GLN A 49 -2.545 -3.528 2.776 1.00 0.15 C ATOM 728 CG GLN A 49 -3.733 -2.657 3.135 1.00 0.27 C ATOM 729 CD GLN A 49 -4.302 -3.001 4.491 1.00 0.86 C ATOM 730 OE1 GLN A 49 -3.935 -2.401 5.496 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.183 -3.989 4.532 1.00 1.03 N ATOM 0 H GLN A 49 -0.653 -1.680 2.661 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.605 -3.569 4.710 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.250 -3.308 1.750 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -2.859 -4.571 2.800 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.430 -1.610 3.125 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.508 -2.772 2.377 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -5.460 -4.461 3.671 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.584 -4.278 5.424 1.00 1.03 H new ATOM 740 N ALA A 50 -0.408 -5.580 3.604 1.00 0.11 N ATOM 741 CA ALA A 50 0.497 -6.642 3.191 1.00 0.13 C ATOM 742 C ALA A 50 -0.139 -8.000 3.488 1.00 0.18 C ATOM 743 O ALA A 50 -0.731 -8.180 4.551 1.00 0.25 O ATOM 744 CB ALA A 50 1.825 -6.495 3.915 1.00 0.16 C ATOM 0 H ALA A 50 -1.147 -5.887 4.236 1.00 0.11 H new ATOM 0 HA ALA A 50 0.681 -6.573 2.119 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.500 -7.292 3.603 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.267 -5.529 3.671 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.662 -6.558 4.991 1.00 0.16 H new ATOM 750 N THR A 51 -0.041 -8.935 2.544 1.00 0.17 N ATOM 751 CA THR A 51 -0.615 -10.275 2.709 1.00 0.22 C ATOM 752 C THR A 51 -0.176 -10.906 4.027 1.00 0.33 C ATOM 753 O THR A 51 1.017 -11.011 4.320 1.00 0.37 O ATOM 754 CB THR A 51 -0.201 -11.214 1.561 1.00 0.21 C ATOM 755 OG1 THR A 51 1.217 -11.234 1.429 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.818 -10.801 0.239 1.00 0.20 C ATOM 0 H THR A 51 0.432 -8.791 1.652 1.00 0.17 H new ATOM 0 HA THR A 51 -1.698 -10.149 2.702 1.00 0.22 H new ATOM 0 HB THR A 51 -0.568 -12.209 1.812 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.582 -10.363 1.692 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.499 -11.491 -0.543 1.00 0.20 H new ATOM 0 HG22 THR A 51 -1.905 -10.824 0.322 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.494 -9.791 -0.014 1.00 0.20 H new ATOM 764 N PRO A 52 -1.156 -11.315 4.832 1.00 0.41 N ATOM 765 CA PRO A 52 -0.937 -11.975 6.121 1.00 0.54 C ATOM 766 C PRO A 52 -0.306 -13.350 5.957 1.00 0.61 C ATOM 767 O PRO A 52 -0.246 -13.887 4.852 1.00 0.58 O ATOM 768 CB PRO A 52 -2.353 -12.103 6.689 1.00 0.64 C ATOM 769 CG PRO A 52 -3.227 -12.095 5.497 1.00 0.60 C ATOM 770 CD PRO A 52 -2.584 -11.154 4.539 1.00 0.45 C ATOM 0 HA PRO A 52 -0.252 -11.418 6.761 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -2.470 -13.023 7.262 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -2.588 -11.277 7.360 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.315 -13.093 5.068 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.235 -11.768 5.752 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -2.816 -11.409 3.505 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -2.916 -10.128 4.696 1.00 0.45 H new ATOM 778 N ALA A 53 0.184 -13.912 7.054 1.00 0.73 N ATOM 779 CA ALA A 53 0.753 -15.255 7.035 1.00 0.86 C ATOM 780 C ALA A 53 -0.289 -16.281 6.585 1.00 0.91 C ATOM 781 O ALA A 53 0.053 -17.343 6.065 1.00 1.00 O ATOM 782 CB ALA A 53 1.296 -15.614 8.410 1.00 1.02 C ATOM 0 H ALA A 53 0.199 -13.460 7.968 1.00 0.73 H new ATOM 0 HA ALA A 53 1.574 -15.271 6.319 1.00 0.86 H new ATOM 0 HB1 ALA A 53 1.718 -16.619 8.384 1.00 1.02 H new ATOM 0 HB2 ALA A 53 2.071 -14.902 8.692 1.00 1.02 H new ATOM 0 HB3 ALA A 53 0.488 -15.579 9.141 1.00 1.02 H new ATOM 788 N SER A 54 -1.559 -15.945 6.789 1.00 0.89 N ATOM 789 CA SER A 54 -2.665 -16.798 6.373 1.00 0.98 C ATOM 790 C SER A 54 -2.933 -16.677 4.873 1.00 0.88 C ATOM 791 O SER A 54 -3.481 -17.591 4.255 1.00 0.97 O ATOM 792 CB SER A 54 -3.914 -16.435 7.165 1.00 1.07 C ATOM 793 OG SER A 54 -3.690 -16.604 8.555 1.00 1.58 O ATOM 0 H SER A 54 -1.848 -15.079 7.244 1.00 0.89 H new ATOM 0 HA SER A 54 -2.393 -17.834 6.575 1.00 0.98 H new ATOM 0 HB2 SER A 54 -4.194 -15.402 6.959 1.00 1.07 H new ATOM 0 HB3 SER A 54 -4.748 -17.061 6.847 1.00 1.07 H new ATOM 0 HG SER A 54 -4.502 -16.365 9.049 1.00 1.58 H new ATOM 799 N SER A 55 -2.544 -15.551 4.294 1.00 0.71 N ATOM 800 CA SER A 55 -2.659 -15.353 2.856 1.00 0.61 C ATOM 801 C SER A 55 -1.696 -16.295 2.141 1.00 0.63 C ATOM 802 O SER A 55 -0.638 -16.637 2.674 1.00 0.71 O ATOM 803 CB SER A 55 -2.334 -13.900 2.483 1.00 0.55 C ATOM 804 OG SER A 55 -2.552 -13.664 1.102 1.00 0.54 O ATOM 0 H SER A 55 -2.145 -14.759 4.798 1.00 0.71 H new ATOM 0 HA SER A 55 -3.683 -15.567 2.550 1.00 0.61 H new ATOM 0 HB2 SER A 55 -2.953 -13.223 3.072 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.296 -13.681 2.733 1.00 0.55 H new ATOM 0 HG SER A 55 -2.811 -12.729 0.967 1.00 0.54 H new ATOM 810 N GLU A 56 -2.057 -16.722 0.940 1.00 0.61 N ATOM 811 CA GLU A 56 -1.220 -17.631 0.187 1.00 0.69 C ATOM 812 C GLU A 56 -0.381 -16.826 -0.779 1.00 0.60 C ATOM 813 O GLU A 56 0.583 -17.323 -1.363 1.00 0.70 O ATOM 814 CB GLU A 56 -2.058 -18.644 -0.580 1.00 0.80 C ATOM 815 CG GLU A 56 -3.307 -19.086 0.154 1.00 1.19 C ATOM 816 CD GLU A 56 -4.505 -18.218 -0.181 1.00 2.20 C ATOM 817 OE1 GLU A 56 -4.647 -17.132 0.419 1.00 2.66 O ATOM 818 OE2 GLU A 56 -5.294 -18.605 -1.065 1.00 2.89 O ATOM 0 H GLU A 56 -2.922 -16.452 0.471 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.582 -18.181 0.879 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.345 -18.212 -1.539 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -1.445 -19.520 -0.795 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.529 -20.122 -0.101 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -3.126 -19.054 1.228 1.00 1.19 H new ATOM 825 N LYS A 57 -0.779 -15.575 -0.952 1.00 0.46 N ATOM 826 CA LYS A 57 -0.124 -14.689 -1.873 1.00 0.39 C ATOM 827 C LYS A 57 0.933 -13.853 -1.167 1.00 0.32 C ATOM 828 O LYS A 57 1.176 -14.022 0.028 1.00 0.39 O ATOM 829 CB LYS A 57 -1.142 -13.779 -2.543 1.00 0.41 C ATOM 830 CG LYS A 57 -2.154 -14.519 -3.384 1.00 0.56 C ATOM 831 CD LYS A 57 -3.154 -15.271 -2.553 1.00 0.89 C ATOM 832 CE LYS A 57 -3.936 -14.327 -1.666 1.00 1.84 C ATOM 833 NZ LYS A 57 -5.100 -14.990 -1.016 1.00 2.59 N ATOM 0 H LYS A 57 -1.564 -15.156 -0.454 1.00 0.46 H new ATOM 0 HA LYS A 57 0.368 -15.296 -2.633 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.667 -13.209 -1.777 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.616 -13.060 -3.171 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.679 -13.809 -4.023 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -1.635 -15.217 -4.041 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -3.838 -15.816 -3.204 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -2.640 -16.011 -1.940 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -3.276 -13.924 -0.898 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -4.287 -13.483 -2.259 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -5.688 -14.274 -0.544 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -5.665 -15.483 -1.736 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -4.760 -15.677 -0.313 1.00 2.59 H new ATOM 847 N MET A 58 1.565 -12.972 -1.922 1.00 0.27 N ATOM 848 CA MET A 58 2.482 -11.988 -1.371 1.00 0.25 C ATOM 849 C MET A 58 2.205 -10.649 -2.036 1.00 0.23 C ATOM 850 O MET A 58 2.477 -10.473 -3.221 1.00 0.29 O ATOM 851 CB MET A 58 3.949 -12.365 -1.620 1.00 0.29 C ATOM 852 CG MET A 58 4.189 -13.749 -2.229 1.00 0.42 C ATOM 853 SD MET A 58 3.450 -13.963 -3.863 1.00 1.78 S ATOM 854 CE MET A 58 3.845 -15.676 -4.187 1.00 1.53 C ATOM 0 H MET A 58 1.457 -12.918 -2.935 1.00 0.27 H new ATOM 0 HA MET A 58 2.325 -11.942 -0.293 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.389 -11.618 -2.280 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.485 -12.308 -0.672 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.263 -13.923 -2.300 1.00 0.42 H new ATOM 0 HG3 MET A 58 3.787 -14.507 -1.556 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.549 -15.931 -5.205 1.00 1.53 H new ATOM 0 HE2 MET A 58 4.918 -15.830 -4.071 1.00 1.53 H new ATOM 0 HE3 MET A 58 3.309 -16.312 -3.483 1.00 1.53 H new ATOM 864 N MET A 59 1.668 -9.708 -1.288 1.00 0.20 N ATOM 865 CA MET A 59 1.243 -8.448 -1.873 1.00 0.21 C ATOM 866 C MET A 59 1.198 -7.330 -0.840 1.00 0.18 C ATOM 867 O MET A 59 0.765 -7.537 0.290 1.00 0.26 O ATOM 868 CB MET A 59 -0.132 -8.620 -2.521 1.00 0.27 C ATOM 869 CG MET A 59 -0.146 -8.388 -4.024 1.00 0.64 C ATOM 870 SD MET A 59 -1.761 -8.704 -4.767 1.00 1.30 S ATOM 871 CE MET A 59 -2.025 -10.419 -4.313 1.00 0.62 C ATOM 0 H MET A 59 1.515 -9.787 -0.283 1.00 0.20 H new ATOM 0 HA MET A 59 1.975 -8.165 -2.630 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.494 -9.628 -2.317 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.832 -7.929 -2.051 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.149 -7.359 -4.231 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.597 -9.033 -4.493 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.527 -10.938 -5.129 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.065 -10.895 -4.116 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.644 -10.467 -3.417 1.00 0.62 H new ATOM 881 N LEU A 60 1.658 -6.157 -1.240 1.00 0.12 N ATOM 882 CA LEU A 60 1.499 -4.940 -0.432 1.00 0.10 C ATOM 883 C LEU A 60 0.486 -3.981 -1.072 1.00 0.10 C ATOM 884 O LEU A 60 0.208 -4.060 -2.266 1.00 0.13 O ATOM 885 CB LEU A 60 2.823 -4.190 -0.296 1.00 0.13 C ATOM 886 CG LEU A 60 3.567 -4.348 1.024 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.322 -5.655 1.099 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.528 -3.207 1.200 1.00 0.14 C ATOM 0 H LEU A 60 2.148 -6.012 -2.123 1.00 0.12 H new ATOM 0 HA LEU A 60 1.147 -5.261 0.548 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.483 -4.517 -1.100 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.630 -3.129 -0.453 1.00 0.13 H new ATOM 0 HG LEU A 60 2.825 -4.346 1.822 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.837 -5.723 2.057 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.622 -6.485 1.003 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.052 -5.700 0.291 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.059 -3.321 2.145 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.244 -3.205 0.379 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.978 -2.266 1.205 1.00 0.14 H new ATOM 900 N ARG A 61 -0.044 -3.069 -0.263 1.00 0.10 N ATOM 901 CA ARG A 61 -0.900 -1.981 -0.749 1.00 0.11 C ATOM 902 C ARG A 61 -0.766 -0.753 0.156 1.00 0.11 C ATOM 903 O ARG A 61 -1.158 -0.783 1.314 1.00 0.11 O ATOM 904 CB ARG A 61 -2.379 -2.389 -0.829 1.00 0.16 C ATOM 905 CG ARG A 61 -3.270 -1.276 -1.368 1.00 0.32 C ATOM 906 CD ARG A 61 -4.722 -1.450 -0.944 1.00 0.56 C ATOM 907 NE ARG A 61 -5.559 -2.050 -1.976 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.797 -2.493 -1.755 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.368 -2.345 -0.564 1.00 1.46 N ATOM 910 NH2 ARG A 61 -7.480 -3.040 -2.742 1.00 2.72 N ATOM 0 H ARG A 61 0.104 -3.059 0.746 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.562 -1.743 -1.758 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.475 -3.267 -1.468 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.726 -2.678 0.163 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -2.902 -0.313 -1.013 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -3.210 -1.259 -2.456 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.759 -2.072 -0.049 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.133 -0.477 -0.674 1.00 0.56 H new ATOM 0 HE ARG A 61 -5.177 -2.135 -2.918 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.859 -1.888 0.193 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.316 -2.688 -0.407 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -7.061 -3.122 -3.668 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -8.427 -3.381 -2.579 1.00 2.72 H new ATOM 924 N LEU A 62 -0.222 0.322 -0.386 1.00 0.11 N ATOM 925 CA LEU A 62 -0.029 1.559 0.358 1.00 0.11 C ATOM 926 C LEU A 62 -1.211 2.508 0.137 1.00 0.15 C ATOM 927 O LEU A 62 -1.396 3.047 -0.950 1.00 0.19 O ATOM 928 CB LEU A 62 1.307 2.224 -0.046 1.00 0.12 C ATOM 929 CG LEU A 62 2.565 1.454 0.368 1.00 0.20 C ATOM 930 CD1 LEU A 62 2.863 0.330 -0.615 1.00 0.90 C ATOM 931 CD2 LEU A 62 3.757 2.380 0.486 1.00 0.86 C ATOM 0 H LEU A 62 0.099 0.365 -1.353 1.00 0.11 H new ATOM 0 HA LEU A 62 0.017 1.327 1.422 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.318 2.354 -1.128 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.348 3.220 0.395 1.00 0.12 H new ATOM 0 HG LEU A 62 2.376 1.014 1.347 1.00 0.20 H new ATOM 0 HD11 LEU A 62 3.761 -0.201 -0.299 1.00 0.90 H new ATOM 0 HD12 LEU A 62 2.022 -0.363 -0.642 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.020 0.748 -1.609 1.00 0.90 H new ATOM 0 HD21 LEU A 62 4.636 1.806 0.781 1.00 0.86 H new ATOM 0 HD22 LEU A 62 3.942 2.859 -0.476 1.00 0.86 H new ATOM 0 HD23 LEU A 62 3.552 3.143 1.238 1.00 0.86 H new ATOM 943 N ILE A 63 -2.004 2.702 1.182 1.00 0.17 N ATOM 944 CA ILE A 63 -3.217 3.518 1.128 1.00 0.23 C ATOM 945 C ILE A 63 -2.874 4.961 1.421 1.00 0.21 C ATOM 946 O ILE A 63 -2.302 5.236 2.457 1.00 0.25 O ATOM 947 CB ILE A 63 -4.233 3.103 2.224 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.112 1.619 2.578 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.657 3.438 1.802 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.427 0.694 1.444 1.00 0.33 C ATOM 0 H ILE A 63 -1.825 2.296 2.100 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.642 3.381 0.134 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.994 3.677 3.119 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.098 1.420 2.924 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.781 1.399 3.410 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.350 3.137 2.588 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.744 4.511 1.634 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.899 2.906 0.882 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.318 -0.339 1.776 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.451 0.862 1.111 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.741 0.884 0.618 1.00 0.33 H new ATOM 962 N GLY A 64 -3.219 5.883 0.541 1.00 0.27 N ATOM 963 CA GLY A 64 -3.002 7.279 0.857 1.00 0.30 C ATOM 964 C GLY A 64 -4.227 7.912 1.474 1.00 0.35 C ATOM 965 O GLY A 64 -5.330 7.380 1.352 1.00 0.48 O ATOM 0 H GLY A 64 -3.638 5.698 -0.370 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.161 7.369 1.544 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.732 7.819 -0.050 1.00 0.30 H new ATOM 969 N LYS A 65 -4.035 9.027 2.164 1.00 0.30 N ATOM 970 CA LYS A 65 -5.139 9.703 2.825 1.00 0.33 C ATOM 971 C LYS A 65 -6.085 10.319 1.814 1.00 0.38 C ATOM 972 O LYS A 65 -5.654 10.999 0.882 1.00 0.41 O ATOM 973 CB LYS A 65 -4.659 10.824 3.741 1.00 0.34 C ATOM 974 CG LYS A 65 -3.942 10.373 4.999 1.00 0.36 C ATOM 975 CD LYS A 65 -2.468 10.121 4.759 1.00 0.40 C ATOM 976 CE LYS A 65 -1.699 10.097 6.063 1.00 0.43 C ATOM 977 NZ LYS A 65 -1.638 11.444 6.681 1.00 1.15 N ATOM 0 H LYS A 65 -3.129 9.480 2.280 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.647 8.939 3.414 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.990 11.472 3.174 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.519 11.428 4.030 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.058 11.132 5.773 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.408 9.462 5.374 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.338 9.172 4.239 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -2.064 10.898 4.110 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.173 9.399 6.754 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -0.688 9.731 5.884 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -0.831 11.489 7.336 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -1.522 12.162 5.938 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -2.518 11.626 7.204 1.00 1.15 H new ATOM 991 N VAL A 66 -7.369 10.099 2.003 1.00 0.42 N ATOM 992 CA VAL A 66 -8.360 10.804 1.217 1.00 0.51 C ATOM 993 C VAL A 66 -8.724 12.094 1.931 1.00 0.57 C ATOM 994 O VAL A 66 -8.654 12.178 3.161 1.00 0.61 O ATOM 995 CB VAL A 66 -9.618 9.953 0.948 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.331 9.586 2.239 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.561 10.665 -0.011 1.00 0.69 C ATOM 0 H VAL A 66 -7.749 9.444 2.687 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.928 11.024 0.241 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.292 9.025 0.478 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.212 8.987 2.010 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.658 9.013 2.876 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.635 10.495 2.758 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.440 10.044 -0.185 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.869 11.617 0.421 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.051 10.844 -0.957 1.00 0.69 H new ATOM 1294 N GLN A 85 -6.724 7.090 -3.043 1.00 0.51 N ATOM 1295 CA GLN A 85 -5.802 6.511 -4.005 1.00 0.52 C ATOM 1296 C GLN A 85 -4.777 5.658 -3.285 1.00 0.43 C ATOM 1297 O GLN A 85 -4.001 6.133 -2.459 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.146 7.573 -4.918 1.00 0.62 C ATOM 1299 CG GLN A 85 -4.871 8.922 -4.264 1.00 0.85 C ATOM 1300 CD GLN A 85 -3.636 8.942 -3.380 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -2.589 8.244 -3.793 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -3.609 9.623 -2.357 1.00 0.97 N flip ATOM 0 HA GLN A 85 -6.374 5.870 -4.676 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.204 7.172 -5.293 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -5.791 7.733 -5.782 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -4.759 9.676 -5.044 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -5.737 9.207 -3.667 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -4.436 10.147 -2.071 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -2.759 9.664 -1.794 1.00 0.97 H new ATOM 1311 N ARG A 86 -4.818 4.373 -3.569 1.00 0.31 N ATOM 1312 CA ARG A 86 -3.965 3.425 -2.892 1.00 0.27 C ATOM 1313 C ARG A 86 -3.010 2.812 -3.895 1.00 0.26 C ATOM 1314 O ARG A 86 -3.296 2.771 -5.093 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.809 2.336 -2.225 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.116 2.859 -1.650 1.00 0.72 C ATOM 1317 CD ARG A 86 -7.066 1.735 -1.275 1.00 0.54 C ATOM 1318 NE ARG A 86 -7.496 0.967 -2.445 1.00 1.21 N ATOM 1319 CZ ARG A 86 -8.621 0.253 -2.500 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.434 0.199 -1.450 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -8.928 -0.418 -3.607 1.00 2.29 N ATOM 0 H ARG A 86 -5.437 3.962 -4.268 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.395 3.937 -2.117 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -5.027 1.556 -2.955 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.228 1.873 -1.427 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -5.907 3.465 -0.769 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.597 3.511 -2.379 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.577 1.069 -0.564 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.940 2.151 -0.773 1.00 0.54 H new ATOM 0 HE ARG A 86 -6.897 0.979 -3.271 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -9.199 0.705 -0.596 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.293 -0.349 -1.498 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -8.303 -0.386 -4.413 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -9.788 -0.964 -3.650 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.876 2.357 -3.412 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.854 1.801 -4.273 1.00 0.18 C ATOM 1337 C HIS A 87 -0.622 0.344 -3.928 1.00 0.15 C ATOM 1338 O HIS A 87 -0.039 0.033 -2.902 1.00 0.14 O ATOM 1339 CB HIS A 87 0.435 2.599 -4.087 1.00 0.21 C ATOM 1340 CG HIS A 87 0.290 4.051 -4.432 1.00 0.28 C ATOM 1341 ND1 HIS A 87 0.062 4.503 -5.713 1.00 0.41 N ATOM 1342 CD2 HIS A 87 0.309 5.151 -3.645 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.052 5.817 -5.698 1.00 0.50 C ATOM 1344 NE2 HIS A 87 0.093 6.237 -4.456 1.00 0.47 N ATOM 0 H HIS A 87 -1.636 2.361 -2.421 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.174 1.862 -5.313 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.763 2.510 -3.051 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.217 2.162 -4.708 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.465 5.171 -2.577 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.234 6.444 -6.558 1.00 0.50 H new ATOM 0 HE2 HIS A 87 0.051 7.209 -4.149 1.00 0.47 H new ATOM 1353 N MET A 88 -1.037 -0.542 -4.804 1.00 0.16 N ATOM 1354 CA MET A 88 -0.905 -1.969 -4.549 1.00 0.15 C ATOM 1355 C MET A 88 0.154 -2.559 -5.446 1.00 0.20 C ATOM 1356 O MET A 88 0.074 -2.448 -6.669 1.00 0.30 O ATOM 1357 CB MET A 88 -2.229 -2.714 -4.756 1.00 0.20 C ATOM 1358 CG MET A 88 -2.089 -4.223 -4.579 1.00 0.23 C ATOM 1359 SD MET A 88 -3.591 -5.143 -4.976 1.00 0.32 S ATOM 1360 CE MET A 88 -4.581 -4.859 -3.511 1.00 0.42 C ATOM 0 H MET A 88 -1.468 -0.307 -5.698 1.00 0.16 H new ATOM 0 HA MET A 88 -0.614 -2.088 -3.505 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.968 -2.336 -4.049 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.607 -2.503 -5.756 1.00 0.20 H new ATOM 0 HG2 MET A 88 -1.277 -4.580 -5.212 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.806 -4.434 -3.548 1.00 0.23 H new ATOM 0 HE1 MET A 88 -4.784 -5.810 -3.019 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.040 -4.205 -2.827 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.523 -4.389 -3.794 1.00 0.42 H new ATOM 1370 N PHE A 89 1.156 -3.170 -4.843 1.00 0.18 N ATOM 1371 CA PHE A 89 2.178 -3.827 -5.604 1.00 0.28 C ATOM 1372 C PHE A 89 2.068 -5.323 -5.372 1.00 0.31 C ATOM 1373 O PHE A 89 1.781 -5.763 -4.259 1.00 0.43 O ATOM 1374 CB PHE A 89 3.551 -3.302 -5.199 1.00 0.34 C ATOM 1375 CG PHE A 89 3.697 -1.816 -5.362 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.191 -0.944 -4.413 1.00 0.93 C ATOM 1377 CD2 PHE A 89 4.350 -1.294 -6.457 1.00 0.81 C ATOM 1378 CE1 PHE A 89 3.333 0.425 -4.562 1.00 1.26 C ATOM 1379 CE2 PHE A 89 4.492 0.071 -6.611 1.00 1.17 C ATOM 1380 CZ PHE A 89 3.983 0.931 -5.664 1.00 1.33 C ATOM 0 H PHE A 89 1.276 -3.220 -3.831 1.00 0.18 H new ATOM 0 HA PHE A 89 2.049 -3.622 -6.667 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.739 -3.565 -4.158 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.313 -3.802 -5.797 1.00 0.34 H new ATOM 0 HD1 PHE A 89 2.680 -1.336 -3.546 1.00 0.93 H new ATOM 0 HD2 PHE A 89 4.756 -1.960 -7.204 1.00 0.81 H new ATOM 0 HE1 PHE A 89 2.934 1.095 -3.814 1.00 1.26 H new ATOM 0 HE2 PHE A 89 5.004 0.465 -7.477 1.00 1.17 H new ATOM 0 HZ PHE A 89 4.093 1.998 -5.786 1.00 1.33 H new ATOM 1390 N SER A 90 2.246 -6.103 -6.414 1.00 0.26 N ATOM 1391 CA SER A 90 2.214 -7.541 -6.276 1.00 0.26 C ATOM 1392 C SER A 90 3.631 -8.074 -6.172 1.00 0.23 C ATOM 1393 O SER A 90 4.462 -7.833 -7.041 1.00 0.24 O ATOM 1394 CB SER A 90 1.473 -8.178 -7.449 1.00 0.28 C ATOM 1395 OG SER A 90 0.162 -7.645 -7.575 1.00 0.94 O ATOM 0 H SER A 90 2.414 -5.768 -7.363 1.00 0.26 H new ATOM 0 HA SER A 90 1.675 -7.801 -5.365 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.029 -8.007 -8.371 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.418 -9.257 -7.306 1.00 0.28 H new ATOM 0 HG SER A 90 -0.381 -7.928 -6.810 1.00 0.94 H new ATOM 1401 N PHE A 91 3.903 -8.783 -5.097 1.00 0.21 N ATOM 1402 CA PHE A 91 5.248 -9.270 -4.829 1.00 0.21 C ATOM 1403 C PHE A 91 5.316 -10.768 -5.090 1.00 0.23 C ATOM 1404 O PHE A 91 4.286 -11.425 -5.230 1.00 0.28 O ATOM 1405 CB PHE A 91 5.633 -8.946 -3.379 1.00 0.30 C ATOM 1406 CG PHE A 91 5.570 -7.471 -3.067 1.00 0.63 C ATOM 1407 CD1 PHE A 91 4.369 -6.787 -3.052 1.00 0.99 C ATOM 1408 CD2 PHE A 91 6.718 -6.774 -2.765 1.00 0.91 C ATOM 1409 CE1 PHE A 91 4.327 -5.438 -2.743 1.00 1.29 C ATOM 1410 CE2 PHE A 91 6.679 -5.435 -2.459 1.00 1.20 C ATOM 1411 CZ PHE A 91 5.421 -4.749 -2.536 1.00 1.33 C ATOM 0 H PHE A 91 3.212 -9.038 -4.391 1.00 0.21 H new ATOM 0 HA PHE A 91 5.957 -8.776 -5.493 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.967 -9.483 -2.704 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.643 -9.309 -3.187 1.00 0.30 H new ATOM 0 HD1 PHE A 91 3.453 -7.311 -3.284 1.00 0.99 H new ATOM 0 HD2 PHE A 91 7.667 -7.289 -2.769 1.00 0.91 H new ATOM 0 HE1 PHE A 91 3.370 -4.943 -2.671 1.00 1.29 H new ATOM 0 HE2 PHE A 91 7.576 -4.910 -2.167 1.00 1.20 H new ATOM 0 HZ PHE A 91 5.377 -3.676 -2.424 1.00 1.33 H new ATOM 1421 N ASN A 92 6.527 -11.302 -5.188 1.00 0.31 N ATOM 1422 CA ASN A 92 6.712 -12.685 -5.606 1.00 0.39 C ATOM 1423 C ASN A 92 7.126 -13.555 -4.436 1.00 0.35 C ATOM 1424 O ASN A 92 7.213 -14.778 -4.557 1.00 0.42 O ATOM 1425 CB ASN A 92 7.769 -12.768 -6.709 1.00 0.51 C ATOM 1426 CG ASN A 92 7.406 -11.944 -7.930 1.00 0.80 C ATOM 1427 OD1 ASN A 92 7.769 -10.773 -8.034 1.00 1.53 O ATOM 1428 ND2 ASN A 92 6.688 -12.548 -8.859 1.00 1.27 N ATOM 0 H ASN A 92 7.392 -10.801 -4.985 1.00 0.31 H new ATOM 0 HA ASN A 92 5.760 -13.050 -5.990 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.726 -12.426 -6.316 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.900 -13.809 -7.004 1.00 0.51 H new ATOM 0 HD21 ASN A 92 6.414 -12.042 -9.701 1.00 1.27 H new ATOM 0 HD22 ASN A 92 6.407 -13.521 -8.734 1.00 1.27 H new ATOM 1435 N ASN A 93 7.377 -12.925 -3.300 1.00 0.30 N ATOM 1436 CA ASN A 93 7.852 -13.645 -2.135 1.00 0.32 C ATOM 1437 C ASN A 93 7.298 -13.028 -0.860 1.00 0.28 C ATOM 1438 O ASN A 93 7.398 -11.818 -0.641 1.00 0.23 O ATOM 1439 CB ASN A 93 9.382 -13.627 -2.114 1.00 0.37 C ATOM 1440 CG ASN A 93 9.984 -14.585 -1.096 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.379 -14.892 -0.071 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.194 -15.044 -1.362 1.00 0.83 N ATOM 0 H ASN A 93 7.260 -11.921 -3.162 1.00 0.30 H new ATOM 0 HA ASN A 93 7.505 -14.677 -2.190 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.755 -13.882 -3.106 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.723 -12.615 -1.896 1.00 0.37 H new ATOM 0 HD21 ASN A 93 11.656 -15.674 -0.707 1.00 0.83 H new ATOM 0 HD22 ASN A 93 11.666 -14.768 -2.223 1.00 0.83 H new ATOM 1449 N ARG A 94 6.709 -13.882 -0.032 1.00 0.34 N ATOM 1450 CA ARG A 94 6.105 -13.473 1.230 1.00 0.37 C ATOM 1451 C ARG A 94 7.149 -12.888 2.175 1.00 0.30 C ATOM 1452 O ARG A 94 6.826 -12.063 3.028 1.00 0.27 O ATOM 1453 CB ARG A 94 5.408 -14.672 1.876 1.00 0.57 C ATOM 1454 CG ARG A 94 4.819 -14.402 3.244 1.00 0.90 C ATOM 1455 CD ARG A 94 3.740 -13.352 3.173 1.00 0.71 C ATOM 1456 NE ARG A 94 3.069 -13.175 4.462 1.00 0.99 N ATOM 1457 CZ ARG A 94 3.596 -12.520 5.499 1.00 1.35 C ATOM 1458 NH1 ARG A 94 4.794 -11.956 5.402 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.924 -12.431 6.638 1.00 1.70 N ATOM 0 H ARG A 94 6.637 -14.882 -0.218 1.00 0.34 H new ATOM 0 HA ARG A 94 5.369 -12.695 1.028 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.612 -15.012 1.214 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.124 -15.489 1.959 1.00 0.57 H new ATOM 0 HG2 ARG A 94 4.407 -15.324 3.654 1.00 0.90 H new ATOM 0 HG3 ARG A 94 5.606 -14.074 3.924 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.175 -12.404 2.856 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.007 -13.634 2.417 1.00 0.71 H new ATOM 0 HE ARG A 94 2.139 -13.578 4.575 1.00 0.99 H new ATOM 0 HH11 ARG A 94 5.319 -12.021 4.530 1.00 2.16 H new ATOM 0 HH12 ARG A 94 5.189 -11.457 6.199 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.004 -12.863 6.722 1.00 1.70 H new ATOM 0 HH22 ARG A 94 3.327 -11.930 7.430 1.00 1.70 H new ATOM 1473 N THR A 95 8.399 -13.300 2.008 1.00 0.30 N ATOM 1474 CA THR A 95 9.479 -12.786 2.828 1.00 0.27 C ATOM 1475 C THR A 95 9.820 -11.358 2.422 1.00 0.21 C ATOM 1476 O THR A 95 9.712 -10.436 3.223 1.00 0.18 O ATOM 1477 CB THR A 95 10.740 -13.651 2.700 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.432 -15.021 2.993 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.813 -13.142 3.640 1.00 0.32 C ATOM 0 H THR A 95 8.686 -13.988 1.312 1.00 0.30 H new ATOM 0 HA THR A 95 9.139 -12.808 3.863 1.00 0.27 H new ATOM 0 HB THR A 95 11.110 -13.589 1.676 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.243 -15.564 2.907 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.705 -13.761 3.543 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.058 -12.110 3.388 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.449 -13.188 4.666 1.00 0.32 H new ATOM 1487 N VAL A 96 10.215 -11.198 1.163 1.00 0.23 N ATOM 1488 CA VAL A 96 10.506 -9.891 0.579 1.00 0.21 C ATOM 1489 C VAL A 96 9.435 -8.882 0.922 1.00 0.19 C ATOM 1490 O VAL A 96 9.722 -7.824 1.475 1.00 0.19 O ATOM 1491 CB VAL A 96 10.572 -9.976 -0.955 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.894 -8.612 -1.550 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.592 -11.009 -1.395 1.00 0.29 C ATOM 0 H VAL A 96 10.343 -11.975 0.515 1.00 0.23 H new ATOM 0 HA VAL A 96 11.466 -9.578 0.990 1.00 0.21 H new ATOM 0 HB VAL A 96 9.595 -10.290 -1.323 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.937 -8.690 -2.636 1.00 0.28 H new ATOM 0 HG12 VAL A 96 10.119 -7.900 -1.268 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.857 -8.269 -1.172 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.621 -11.051 -2.484 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.576 -10.733 -1.016 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.313 -11.986 -1.001 1.00 0.29 H new ATOM 1503 N MET A 97 8.196 -9.211 0.596 1.00 0.19 N ATOM 1504 CA MET A 97 7.102 -8.298 0.835 1.00 0.19 C ATOM 1505 C MET A 97 6.934 -8.035 2.323 1.00 0.17 C ATOM 1506 O MET A 97 6.561 -6.939 2.701 1.00 0.19 O ATOM 1507 CB MET A 97 5.815 -8.828 0.205 1.00 0.21 C ATOM 1508 CG MET A 97 5.197 -10.019 0.910 1.00 0.22 C ATOM 1509 SD MET A 97 3.551 -9.675 1.543 1.00 0.29 S ATOM 1510 CE MET A 97 3.914 -9.280 3.242 1.00 0.17 C ATOM 0 H MET A 97 7.929 -10.098 0.169 1.00 0.19 H new ATOM 0 HA MET A 97 7.334 -7.344 0.361 1.00 0.19 H new ATOM 0 HB2 MET A 97 5.083 -8.021 0.179 1.00 0.21 H new ATOM 0 HB3 MET A 97 6.022 -9.105 -0.829 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.147 -10.860 0.218 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.842 -10.323 1.734 1.00 0.22 H new ATOM 0 HE1 MET A 97 3.015 -9.409 3.845 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.697 -9.943 3.611 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.252 -8.246 3.311 1.00 0.17 H new ATOM 1520 N ASP A 98 7.268 -9.018 3.171 1.00 0.16 N ATOM 1521 CA ASP A 98 7.171 -8.831 4.623 1.00 0.16 C ATOM 1522 C ASP A 98 8.224 -7.845 5.078 1.00 0.15 C ATOM 1523 O ASP A 98 8.026 -7.079 6.019 1.00 0.22 O ATOM 1524 CB ASP A 98 7.359 -10.154 5.363 1.00 0.21 C ATOM 1525 CG ASP A 98 7.124 -10.021 6.857 1.00 0.30 C ATOM 1526 OD1 ASP A 98 5.978 -9.750 7.261 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.093 -10.175 7.633 1.00 0.39 O ATOM 0 H ASP A 98 7.603 -9.937 2.881 1.00 0.16 H new ATOM 0 HA ASP A 98 6.177 -8.447 4.852 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.673 -10.896 4.955 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.369 -10.524 5.189 1.00 0.21 H new ATOM 1532 N ASN A 99 9.329 -7.857 4.366 1.00 0.12 N ATOM 1533 CA ASN A 99 10.434 -6.961 4.633 1.00 0.13 C ATOM 1534 C ASN A 99 10.056 -5.562 4.188 1.00 0.15 C ATOM 1535 O ASN A 99 10.299 -4.578 4.883 1.00 0.24 O ATOM 1536 CB ASN A 99 11.672 -7.452 3.878 1.00 0.22 C ATOM 1537 CG ASN A 99 12.131 -8.821 4.339 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.570 -9.646 3.401 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 12.057 -9.152 5.525 1.00 0.50 N flip ATOM 0 H ASN A 99 9.488 -8.491 3.583 1.00 0.12 H new ATOM 0 HA ASN A 99 10.658 -6.942 5.700 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.452 -7.487 2.811 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.483 -6.736 4.013 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.714 -8.488 6.219 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.339 -10.089 5.811 1.00 0.50 H new ATOM 1546 N ILE A 100 9.427 -5.501 3.029 1.00 0.12 N ATOM 1547 CA ILE A 100 8.941 -4.255 2.465 1.00 0.12 C ATOM 1548 C ILE A 100 7.877 -3.611 3.357 1.00 0.11 C ATOM 1549 O ILE A 100 8.015 -2.449 3.747 1.00 0.13 O ATOM 1550 CB ILE A 100 8.349 -4.508 1.063 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.435 -5.003 0.118 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.718 -3.248 0.503 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.518 -3.981 -0.114 1.00 0.11 C ATOM 0 H ILE A 100 9.238 -6.319 2.449 1.00 0.12 H new ATOM 0 HA ILE A 100 9.787 -3.571 2.394 1.00 0.12 H new ATOM 0 HB ILE A 100 7.575 -5.270 1.155 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.880 -5.910 0.527 1.00 0.13 H new ATOM 0 HG13 ILE A 100 8.984 -5.271 -0.837 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.309 -3.455 -0.486 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.918 -2.917 1.165 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.473 -2.466 0.427 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.264 -4.390 -0.795 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.082 -3.082 -0.550 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.992 -3.731 0.835 1.00 0.11 H new ATOM 1565 N LYS A 101 6.824 -4.364 3.693 1.00 0.11 N ATOM 1566 CA LYS A 101 5.741 -3.835 4.478 1.00 0.12 C ATOM 1567 C LYS A 101 6.219 -3.369 5.843 1.00 0.11 C ATOM 1568 O LYS A 101 5.831 -2.306 6.308 1.00 0.14 O ATOM 1569 CB LYS A 101 4.661 -4.874 4.666 1.00 0.18 C ATOM 1570 CG LYS A 101 5.211 -6.213 5.029 1.00 0.89 C ATOM 1571 CD LYS A 101 4.484 -6.881 6.181 1.00 0.75 C ATOM 1572 CE LYS A 101 5.076 -6.473 7.522 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.878 -7.535 8.540 1.00 1.11 N ATOM 0 H LYS A 101 6.713 -5.342 3.425 1.00 0.11 H new ATOM 0 HA LYS A 101 5.339 -2.980 3.934 1.00 0.12 H new ATOM 0 HB2 LYS A 101 3.975 -4.543 5.446 1.00 0.18 H new ATOM 0 HB3 LYS A 101 4.081 -4.960 3.747 1.00 0.18 H new ATOM 0 HG2 LYS A 101 5.164 -6.864 4.156 1.00 0.89 H new ATOM 0 HG3 LYS A 101 6.264 -6.105 5.290 1.00 0.89 H new ATOM 0 HD2 LYS A 101 3.428 -6.613 6.151 1.00 0.75 H new ATOM 0 HD3 LYS A 101 4.541 -7.964 6.071 1.00 0.75 H new ATOM 0 HE2 LYS A 101 6.141 -6.270 7.406 1.00 0.42 H new ATOM 0 HE3 LYS A 101 4.610 -5.548 7.862 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 5.335 -7.252 9.430 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 3.860 -7.675 8.703 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 5.299 -8.423 8.201 1.00 1.11 H new ATOM 1587 N MET A 102 7.084 -4.165 6.478 1.00 0.09 N ATOM 1588 CA MET A 102 7.524 -3.873 7.832 1.00 0.09 C ATOM 1589 C MET A 102 8.345 -2.599 7.811 1.00 0.09 C ATOM 1590 O MET A 102 8.381 -1.845 8.776 1.00 0.12 O ATOM 1591 CB MET A 102 8.361 -5.022 8.410 1.00 0.10 C ATOM 1592 CG MET A 102 9.790 -5.011 7.926 1.00 0.16 C ATOM 1593 SD MET A 102 10.877 -6.090 8.873 1.00 0.88 S ATOM 1594 CE MET A 102 10.248 -7.684 8.373 1.00 1.17 C ATOM 0 H MET A 102 7.488 -5.010 6.074 1.00 0.09 H new ATOM 0 HA MET A 102 6.647 -3.751 8.468 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.351 -4.960 9.498 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.899 -5.972 8.141 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.813 -5.313 6.879 1.00 0.16 H new ATOM 0 HG3 MET A 102 10.173 -3.992 7.972 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.076 -8.384 8.262 1.00 1.17 H new ATOM 0 HE2 MET A 102 9.558 -8.056 9.130 1.00 1.17 H new ATOM 0 HE3 MET A 102 9.725 -7.587 7.421 1.00 1.17 H new ATOM 1604 N THR A 103 8.993 -2.377 6.681 1.00 0.08 N ATOM 1605 CA THR A 103 9.760 -1.182 6.451 1.00 0.08 C ATOM 1606 C THR A 103 8.840 0.026 6.406 1.00 0.08 C ATOM 1607 O THR A 103 9.040 1.008 7.123 1.00 0.09 O ATOM 1608 CB THR A 103 10.526 -1.303 5.125 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.534 -2.312 5.231 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.162 0.000 4.741 1.00 0.11 C ATOM 0 H THR A 103 8.997 -3.030 5.897 1.00 0.08 H new ATOM 0 HA THR A 103 10.472 -1.055 7.266 1.00 0.08 H new ATOM 0 HB THR A 103 9.810 -1.578 4.351 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.172 -3.169 4.924 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.696 -0.120 3.798 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.391 0.762 4.627 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.862 0.306 5.518 1.00 0.11 H new ATOM 1618 N LEU A 104 7.813 -0.072 5.577 1.00 0.08 N ATOM 1619 CA LEU A 104 6.889 1.026 5.390 1.00 0.09 C ATOM 1620 C LEU A 104 6.051 1.247 6.634 1.00 0.11 C ATOM 1621 O LEU A 104 6.060 2.331 7.196 1.00 0.13 O ATOM 1622 CB LEU A 104 5.957 0.760 4.207 1.00 0.09 C ATOM 1623 CG LEU A 104 6.626 0.532 2.849 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.731 -0.269 1.932 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.946 1.846 2.195 1.00 0.11 C ATOM 0 H LEU A 104 7.601 -0.903 5.024 1.00 0.08 H new ATOM 0 HA LEU A 104 7.483 1.918 5.190 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.351 -0.115 4.440 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.274 1.605 4.114 1.00 0.09 H new ATOM 0 HG LEU A 104 7.547 -0.025 3.024 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.230 -0.417 0.974 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.520 -1.238 2.385 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.796 0.269 1.775 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.421 1.666 1.231 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.026 2.412 2.047 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.623 2.414 2.833 1.00 0.11 H new ATOM 1637 N GLN A 105 5.322 0.216 7.044 1.00 0.12 N ATOM 1638 CA GLN A 105 4.433 0.288 8.213 1.00 0.18 C ATOM 1639 C GLN A 105 5.119 0.877 9.440 1.00 0.18 C ATOM 1640 O GLN A 105 4.460 1.497 10.277 1.00 0.22 O ATOM 1641 CB GLN A 105 3.867 -1.093 8.548 1.00 0.28 C ATOM 1642 CG GLN A 105 3.024 -1.656 7.428 1.00 0.39 C ATOM 1643 CD GLN A 105 2.553 -3.076 7.648 1.00 0.64 C ATOM 1644 OE1 GLN A 105 3.204 -3.872 8.318 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.423 -3.407 7.043 1.00 0.99 N ATOM 0 H GLN A 105 5.325 -0.693 6.582 1.00 0.12 H new ATOM 0 HA GLN A 105 3.619 0.960 7.941 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.688 -1.778 8.761 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.265 -1.026 9.454 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.153 -1.016 7.289 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.599 -1.617 6.503 1.00 0.39 H new ATOM 0 HE21 GLN A 105 0.915 -2.712 6.496 1.00 0.99 H new ATOM 0 HE22 GLN A 105 1.061 -4.357 7.124 1.00 0.99 H new ATOM 1654 N GLN A 106 6.433 0.714 9.538 1.00 0.17 N ATOM 1655 CA GLN A 106 7.172 1.312 10.624 1.00 0.20 C ATOM 1656 C GLN A 106 7.140 2.817 10.467 1.00 0.20 C ATOM 1657 O GLN A 106 6.786 3.543 11.386 1.00 0.36 O ATOM 1658 CB GLN A 106 8.602 0.811 10.630 1.00 0.25 C ATOM 1659 CG GLN A 106 8.807 -0.450 11.447 1.00 0.30 C ATOM 1660 CD GLN A 106 10.260 -0.871 11.504 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.003 -0.474 12.403 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.677 -1.667 10.537 1.00 0.47 N ATOM 0 H GLN A 106 6.998 0.176 8.881 1.00 0.17 H new ATOM 0 HA GLN A 106 6.715 1.034 11.574 1.00 0.20 H new ATOM 0 HB2 GLN A 106 8.915 0.622 9.603 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.250 1.595 11.021 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.439 -0.287 12.460 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.214 -1.258 11.018 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.028 -1.972 9.812 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.648 -1.977 10.515 1.00 0.47 H new ATOM 1671 N ILE A 107 7.455 3.253 9.258 1.00 0.13 N ATOM 1672 CA ILE A 107 7.432 4.657 8.883 1.00 0.13 C ATOM 1673 C ILE A 107 6.041 5.232 9.064 1.00 0.14 C ATOM 1674 O ILE A 107 5.871 6.336 9.572 1.00 0.17 O ATOM 1675 CB ILE A 107 7.804 4.809 7.399 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.171 4.190 7.108 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.759 6.268 6.998 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.425 3.923 5.640 1.00 0.14 C ATOM 0 H ILE A 107 7.738 2.633 8.499 1.00 0.13 H new ATOM 0 HA ILE A 107 8.144 5.184 9.518 1.00 0.13 H new ATOM 0 HB ILE A 107 7.072 4.268 6.799 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.948 4.855 7.486 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.259 3.253 7.658 1.00 0.13 H new ATOM 0 HG21 ILE A 107 8.024 6.364 5.945 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.754 6.658 7.156 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.467 6.834 7.604 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.415 3.484 5.516 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.672 3.233 5.260 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.371 4.860 5.085 1.00 0.14 H new ATOM 1690 N ILE A 108 5.050 4.475 8.631 1.00 0.13 N ATOM 1691 CA ILE A 108 3.676 4.929 8.681 1.00 0.17 C ATOM 1692 C ILE A 108 3.264 5.193 10.118 1.00 0.23 C ATOM 1693 O ILE A 108 2.904 6.308 10.458 1.00 0.29 O ATOM 1694 CB ILE A 108 2.745 3.906 8.007 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.432 3.423 6.726 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.376 4.512 7.721 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.521 3.149 5.559 1.00 0.15 C ATOM 0 H ILE A 108 5.173 3.541 8.240 1.00 0.13 H new ATOM 0 HA ILE A 108 3.592 5.865 8.129 1.00 0.17 H new ATOM 0 HB ILE A 108 2.569 3.060 8.671 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.164 4.172 6.424 1.00 0.18 H new ATOM 0 HG13 ILE A 108 3.984 2.511 6.954 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.740 3.766 7.245 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.919 4.835 8.656 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.489 5.369 7.057 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.112 2.813 4.707 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.804 2.374 5.831 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.986 4.061 5.293 1.00 0.15 H new ATOM 1709 N SER A 109 3.355 4.181 10.968 1.00 0.28 N ATOM 1710 CA SER A 109 3.115 4.352 12.397 1.00 0.37 C ATOM 1711 C SER A 109 4.014 5.447 12.991 1.00 0.37 C ATOM 1712 O SER A 109 3.629 6.131 13.942 1.00 0.43 O ATOM 1713 CB SER A 109 3.345 3.026 13.120 1.00 0.45 C ATOM 1714 OG SER A 109 2.634 1.979 12.480 1.00 1.22 O ATOM 0 H SER A 109 3.594 3.228 10.693 1.00 0.28 H new ATOM 0 HA SER A 109 2.080 4.665 12.534 1.00 0.37 H new ATOM 0 HB2 SER A 109 4.410 2.794 13.135 1.00 0.45 H new ATOM 0 HB3 SER A 109 3.023 3.111 14.158 1.00 0.45 H new ATOM 0 HG SER A 109 3.171 1.622 11.742 1.00 1.22 H new ATOM 1720 N ARG A 110 5.189 5.629 12.399 1.00 0.33 N ATOM 1721 CA ARG A 110 6.116 6.684 12.796 1.00 0.35 C ATOM 1722 C ARG A 110 5.557 8.049 12.429 1.00 0.38 C ATOM 1723 O ARG A 110 5.976 9.076 12.968 1.00 0.48 O ATOM 1724 CB ARG A 110 7.471 6.461 12.122 1.00 0.34 C ATOM 1725 CG ARG A 110 8.368 5.503 12.852 1.00 1.27 C ATOM 1726 CD ARG A 110 9.629 5.250 12.054 1.00 1.25 C ATOM 1727 NE ARG A 110 10.504 4.266 12.689 1.00 2.39 N ATOM 1728 CZ ARG A 110 11.539 3.688 12.080 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.863 4.029 10.837 1.00 1.97 N ATOM 1730 NH2 ARG A 110 12.256 2.775 12.722 1.00 3.79 N ATOM 0 H ARG A 110 5.526 5.050 11.630 1.00 0.33 H new ATOM 0 HA ARG A 110 6.249 6.651 13.877 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.305 6.088 11.111 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.981 7.420 12.029 1.00 0.34 H new ATOM 0 HG2 ARG A 110 8.624 5.909 13.831 1.00 1.27 H new ATOM 0 HG3 ARG A 110 7.844 4.563 13.024 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.360 4.903 11.056 1.00 1.25 H new ATOM 0 HD3 ARG A 110 10.171 6.187 11.930 1.00 1.25 H new ATOM 0 HE ARG A 110 10.311 4.006 13.656 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.318 4.737 10.344 1.00 1.97 H new ATOM 0 HH12 ARG A 110 12.656 3.583 10.376 1.00 1.97 H new ATOM 0 HH21 ARG A 110 12.015 2.517 13.679 1.00 3.79 H new ATOM 0 HH22 ARG A 110 13.049 2.331 12.259 1.00 3.79 H new ATOM 1744 N TYR A 111 4.591 8.049 11.524 1.00 0.34 N ATOM 1745 CA TYR A 111 3.941 9.267 11.109 1.00 0.41 C ATOM 1746 C TYR A 111 2.535 9.319 11.671 1.00 0.49 C ATOM 1747 O TYR A 111 1.826 10.303 11.511 1.00 0.60 O ATOM 1748 CB TYR A 111 3.931 9.390 9.592 1.00 0.37 C ATOM 1749 CG TYR A 111 5.209 9.988 9.061 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.466 11.350 9.162 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.165 9.183 8.485 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.650 11.886 8.690 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.353 9.703 8.012 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.592 11.056 8.117 1.00 0.48 C ATOM 1755 OH TYR A 111 8.777 11.579 7.650 1.00 0.55 O ATOM 0 H TYR A 111 4.243 7.208 11.064 1.00 0.34 H new ATOM 0 HA TYR A 111 4.503 10.115 11.501 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.782 8.405 9.150 1.00 0.37 H new ATOM 0 HB3 TYR A 111 3.087 10.008 9.285 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.731 11.999 9.615 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.982 8.122 8.401 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.836 12.947 8.769 1.00 0.53 H new ATOM 0 HE2 TYR A 111 8.090 9.054 7.563 1.00 0.40 H new ATOM 0 HH TYR A 111 9.328 10.859 7.278 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.319 -8.355 2.722 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.053 -8.173 3.402 1.00 0.48 C ATOM 2061 C PHE B 261 -4.283 -7.805 4.867 1.00 0.66 C ATOM 2062 O PHE B 261 -5.422 -7.706 5.321 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.250 -7.063 2.724 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.132 -7.186 1.227 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.256 -8.411 0.591 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -2.904 -6.060 0.455 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.158 -8.506 -0.783 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -2.806 -6.149 -0.916 1.00 0.75 C ATOM 2069 CZ PHE B 261 -2.934 -7.373 -1.536 1.00 0.62 C ATOM 0 HA PHE B 261 -3.497 -9.109 3.351 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.713 -6.105 2.959 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.248 -7.047 3.152 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.431 -9.301 1.177 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -2.801 -5.098 0.935 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -3.257 -9.466 -1.267 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -2.629 -5.261 -1.504 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.859 -7.445 -2.611 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.196 -7.618 5.600 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.264 -7.155 6.977 1.00 0.67 C ATOM 2081 C VAL B 262 -2.266 -6.017 7.182 1.00 0.54 C ATOM 2082 O VAL B 262 -1.224 -5.970 6.523 1.00 0.50 O ATOM 2083 CB VAL B 262 -2.972 -8.299 7.980 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -1.527 -8.767 7.880 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -3.306 -7.870 9.403 1.00 1.14 C ATOM 0 H VAL B 262 -2.248 -7.782 5.260 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.277 -6.800 7.165 1.00 0.67 H new ATOM 0 HB VAL B 262 -3.612 -9.142 7.719 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -1.354 -9.570 8.596 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -1.332 -9.132 6.872 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -0.859 -7.934 8.100 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -3.093 -8.689 10.090 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -2.702 -7.004 9.673 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -4.363 -7.609 9.466 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.590 -5.095 8.072 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.709 -3.981 8.355 1.00 0.55 C ATOM 2097 C GLU B 263 -1.122 -4.106 9.759 1.00 0.56 C ATOM 2098 O GLU B 263 -1.841 -4.315 10.738 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.436 -2.638 8.174 1.00 0.73 C ATOM 2100 CG GLU B 263 -3.590 -2.374 9.135 1.00 1.21 C ATOM 2101 CD GLU B 263 -4.768 -3.319 8.964 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -4.739 -4.424 9.541 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -5.722 -2.969 8.238 1.00 2.20 O ATOM 0 H GLU B 263 -3.457 -5.098 8.610 1.00 0.57 H new ATOM 0 HA GLU B 263 -0.887 -4.007 7.640 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -1.707 -1.834 8.281 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.818 -2.588 7.154 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -3.222 -2.451 10.158 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -3.937 -1.350 8.997 1.00 1.21 H new