USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 946 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: B 44 THR OG1 : rot 147:sc= 1.22 USER MOD Set 1.2: B 47 SER OG : rot -77:sc= 0.468! USER MOD Set 2.1: A 44 THR OG1 : rot 147:sc= 1.16 USER MOD Set 2.2: A 47 SER OG : rot -75:sc= 0.546! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 173:sc= -0.346 USER MOD Single : A 14 SER OG : rot -90:sc= 1.84 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.524 USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.32 (180deg=-0.944) USER MOD Single : A 23 ASN : amide:sc= -2.4 X(o=-2.4,f=-2.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 13:sc= -1.53 USER MOD Single : A 32 SER OG : rot 140:sc= 0.289 USER MOD Single : A 33 SER OG : rot 180:sc= -0.129 USER MOD Single : A 36 SER OG : rot -50:sc= 0.534 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -1.95! C(o=-1.9!,f=-5.1!) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0.684 (180deg=0.0682!) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0104) USER MOD Single : A 49 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.044) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0728 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 169:sc= -0.417 USER MOD Single : B 14 SER OG : rot -90:sc= 1.91 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.365! USER MOD Single : B 19 LYS NZ :NH3+ 157:sc= -0.273 (180deg=-1.03) USER MOD Single : B 23 ASN : amide:sc= -2.3 X(o=-2.3,f=-2.7!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 27:sc= -1.55 USER MOD Single : B 32 SER OG : rot 140:sc= 0.338 USER MOD Single : B 33 SER OG : rot 180:sc= -0.124 USER MOD Single : B 36 SER OG : rot -53:sc= 0.522 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 GLN : amide:sc= -1.99! C(o=-2!,f=-6!) USER MOD Single : B 45 LYS NZ :NH3+ -168:sc= 0.621 (180deg=-0.0137!) USER MOD Single : B 48 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00986) USER MOD Single : B 49 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.053) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 62 TYR OH : rot 180:sc= -0.0729 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.839 9.593 -3.641 1.00 0.44 N ATOM 52 CA SER A 5 -11.445 9.963 -2.327 1.00 0.30 C ATOM 53 C SER A 5 -10.495 9.561 -1.184 1.00 0.27 C ATOM 54 O SER A 5 -9.964 10.401 -0.486 1.00 0.30 O ATOM 55 CB SER A 5 -12.810 9.271 -2.182 1.00 0.49 C ATOM 56 OG SER A 5 -13.812 10.260 -1.979 1.00 1.52 O ATOM 0 HA SER A 5 -11.597 11.041 -2.279 1.00 0.30 H new ATOM 0 HB2 SER A 5 -13.033 8.687 -3.075 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.792 8.576 -1.343 1.00 0.49 H new ATOM 0 HG SER A 5 -14.686 9.826 -1.887 1.00 1.52 H new ATOM 62 N ASP A 6 -10.273 8.286 -0.991 1.00 0.24 N ATOM 63 CA ASP A 6 -9.350 7.850 0.106 1.00 0.23 C ATOM 64 C ASP A 6 -8.817 6.439 -0.191 1.00 0.21 C ATOM 65 O ASP A 6 -9.152 5.503 0.506 1.00 0.20 O ATOM 66 CB ASP A 6 -10.107 7.834 1.446 1.00 0.25 C ATOM 67 CG ASP A 6 -9.103 7.862 2.604 1.00 1.26 C ATOM 68 OD1 ASP A 6 -8.560 8.923 2.865 1.00 2.03 O ATOM 69 OD2 ASP A 6 -8.897 6.821 3.207 1.00 2.00 O ATOM 0 H ASP A 6 -10.686 7.532 -1.539 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.516 8.549 0.166 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.774 8.694 1.509 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -10.730 6.942 1.513 1.00 0.25 H new ATOM 74 N PRO A 7 -8.002 6.317 -1.217 1.00 0.22 N ATOM 75 CA PRO A 7 -7.436 5.007 -1.590 1.00 0.22 C ATOM 76 C PRO A 7 -6.530 4.492 -0.449 1.00 0.20 C ATOM 77 O PRO A 7 -6.229 5.231 0.466 1.00 0.20 O ATOM 78 CB PRO A 7 -6.626 5.279 -2.882 1.00 0.25 C ATOM 79 CG PRO A 7 -6.737 6.801 -3.195 1.00 0.27 C ATOM 80 CD PRO A 7 -7.590 7.445 -2.079 1.00 0.26 C ATOM 0 HA PRO A 7 -8.195 4.242 -1.754 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.583 4.990 -2.748 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.017 4.688 -3.710 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.748 7.257 -3.233 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.199 6.959 -4.170 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -7.015 8.182 -1.518 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.455 7.963 -2.492 1.00 0.26 H new ATOM 88 N PRO A 8 -6.116 3.243 -0.534 1.00 0.21 N ATOM 89 CA PRO A 8 -5.241 2.647 0.498 1.00 0.22 C ATOM 90 C PRO A 8 -3.895 3.390 0.533 1.00 0.22 C ATOM 91 O PRO A 8 -3.784 4.516 0.092 1.00 0.22 O ATOM 92 CB PRO A 8 -5.058 1.173 0.061 1.00 0.24 C ATOM 93 CG PRO A 8 -5.731 1.015 -1.333 1.00 0.26 C ATOM 94 CD PRO A 8 -6.477 2.331 -1.642 1.00 0.24 C ATOM 0 HA PRO A 8 -5.662 2.716 1.501 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.000 0.917 0.008 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.513 0.498 0.786 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -4.983 0.810 -2.099 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.424 0.173 -1.331 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.173 2.740 -2.605 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.554 2.173 -1.688 1.00 0.24 H new ATOM 102 N THR A 9 -2.874 2.760 1.053 1.00 0.23 N ATOM 103 CA THR A 9 -1.536 3.417 1.117 1.00 0.24 C ATOM 104 C THR A 9 -0.446 2.349 1.119 1.00 0.24 C ATOM 105 O THR A 9 -0.427 1.464 1.951 1.00 0.25 O ATOM 106 CB THR A 9 -1.437 4.249 2.396 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.593 5.066 2.517 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.188 5.131 2.340 1.00 0.29 C ATOM 0 H THR A 9 -2.910 1.816 1.437 1.00 0.23 H new ATOM 0 HA THR A 9 -1.408 4.066 0.251 1.00 0.24 H new ATOM 0 HB THR A 9 -1.369 3.585 3.258 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.583 5.520 3.385 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.119 5.723 3.253 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.698 4.502 2.248 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.251 5.797 1.479 1.00 0.29 H new ATOM 116 N ALA A 10 0.462 2.427 0.189 1.00 0.23 N ATOM 117 CA ALA A 10 1.555 1.422 0.125 1.00 0.23 C ATOM 118 C ALA A 10 2.486 1.593 1.326 1.00 0.22 C ATOM 119 O ALA A 10 3.538 2.193 1.223 1.00 0.27 O ATOM 120 CB ALA A 10 2.347 1.628 -1.167 1.00 0.23 C ATOM 0 H ALA A 10 0.494 3.147 -0.533 1.00 0.23 H new ATOM 0 HA ALA A 10 1.130 0.419 0.143 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.151 0.894 -1.222 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.684 1.505 -2.024 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.771 2.632 -1.178 1.00 0.23 H new ATOM 126 N CYS A 11 2.110 1.059 2.460 1.00 0.25 N ATOM 127 CA CYS A 11 2.968 1.171 3.682 1.00 0.25 C ATOM 128 C CYS A 11 3.569 -0.203 3.987 1.00 0.25 C ATOM 129 O CYS A 11 2.899 -1.214 3.908 1.00 0.26 O ATOM 130 CB CYS A 11 2.112 1.629 4.866 1.00 0.25 C ATOM 131 SG CYS A 11 1.202 3.128 4.410 1.00 0.33 S ATOM 0 H CYS A 11 1.239 0.546 2.594 1.00 0.25 H new ATOM 0 HA CYS A 11 3.764 1.896 3.514 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.415 0.841 5.151 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.745 1.824 5.732 1.00 0.25 H new ATOM 136 N CYS A 12 4.828 -0.252 4.324 1.00 0.24 N ATOM 137 CA CYS A 12 5.466 -1.565 4.622 1.00 0.24 C ATOM 138 C CYS A 12 4.984 -2.074 5.981 1.00 0.24 C ATOM 139 O CYS A 12 4.778 -1.311 6.904 1.00 0.27 O ATOM 140 CB CYS A 12 6.988 -1.404 4.650 1.00 0.24 C ATOM 141 SG CYS A 12 7.579 -0.953 3.000 1.00 0.24 S ATOM 0 H CYS A 12 5.442 0.559 4.406 1.00 0.24 H new ATOM 0 HA CYS A 12 5.191 -2.281 3.847 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.270 -0.637 5.371 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.457 -2.333 4.974 1.00 0.24 H new ATOM 146 N PHE A 13 4.812 -3.365 6.110 1.00 0.25 N ATOM 147 CA PHE A 13 4.353 -3.951 7.407 1.00 0.27 C ATOM 148 C PHE A 13 5.549 -4.614 8.093 1.00 0.24 C ATOM 149 O PHE A 13 5.532 -4.887 9.278 1.00 0.26 O ATOM 150 CB PHE A 13 3.272 -5.003 7.131 1.00 0.30 C ATOM 151 CG PHE A 13 3.884 -6.160 6.379 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.156 -6.037 5.004 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.192 -7.356 7.055 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.735 -7.112 4.304 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.772 -8.430 6.357 1.00 0.37 C ATOM 156 CZ PHE A 13 5.045 -8.309 4.980 1.00 0.37 C ATOM 0 H PHE A 13 4.971 -4.044 5.366 1.00 0.25 H new ATOM 0 HA PHE A 13 3.942 -3.172 8.049 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.839 -5.352 8.069 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.461 -4.564 6.550 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.921 -5.119 4.486 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.983 -7.449 8.110 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.942 -7.019 3.248 1.00 0.34 H new ATOM 0 HE2 PHE A 13 5.008 -9.347 6.876 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.491 -9.133 4.443 1.00 0.37 H new ATOM 166 N SER A 14 6.588 -4.872 7.347 1.00 0.21 N ATOM 167 CA SER A 14 7.800 -5.515 7.929 1.00 0.20 C ATOM 168 C SER A 14 9.007 -5.177 7.052 1.00 0.18 C ATOM 169 O SER A 14 9.028 -4.169 6.375 1.00 0.17 O ATOM 170 CB SER A 14 7.605 -7.031 7.971 1.00 0.20 C ATOM 171 OG SER A 14 7.576 -7.539 6.644 1.00 0.25 O ATOM 0 H SER A 14 6.649 -4.663 6.351 1.00 0.21 H new ATOM 0 HA SER A 14 7.964 -5.148 8.942 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.414 -7.498 8.533 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.676 -7.275 8.486 1.00 0.20 H new ATOM 0 HG SER A 14 6.653 -7.539 6.314 1.00 0.25 H new ATOM 177 N TYR A 15 10.019 -6.006 7.055 1.00 0.19 N ATOM 178 CA TYR A 15 11.222 -5.717 6.217 1.00 0.20 C ATOM 179 C TYR A 15 11.944 -7.023 5.885 1.00 0.24 C ATOM 180 O TYR A 15 11.732 -8.039 6.517 1.00 0.29 O ATOM 181 CB TYR A 15 12.174 -4.791 6.988 1.00 0.22 C ATOM 182 CG TYR A 15 11.382 -3.743 7.729 1.00 0.21 C ATOM 183 CD1 TYR A 15 11.010 -2.550 7.080 1.00 0.21 C ATOM 184 CD2 TYR A 15 11.015 -3.957 9.072 1.00 0.25 C ATOM 185 CE1 TYR A 15 10.272 -1.572 7.773 1.00 0.23 C ATOM 186 CE2 TYR A 15 10.276 -2.980 9.764 1.00 0.28 C ATOM 187 CZ TYR A 15 9.904 -1.787 9.115 1.00 0.27 C ATOM 188 OH TYR A 15 9.180 -0.828 9.794 1.00 0.32 O ATOM 0 H TYR A 15 10.065 -6.867 7.599 1.00 0.19 H new ATOM 0 HA TYR A 15 10.908 -5.231 5.293 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.771 -5.372 7.691 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.869 -4.313 6.298 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.291 -2.385 6.050 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.301 -4.871 9.571 1.00 0.25 H new ATOM 0 HE1 TYR A 15 9.988 -0.657 7.275 1.00 0.23 H new ATOM 0 HE2 TYR A 15 9.994 -3.145 10.793 1.00 0.28 H new ATOM 0 HH TYR A 15 9.008 -1.135 10.709 1.00 0.32 H new ATOM 198 N THR A 16 12.805 -7.000 4.904 1.00 0.22 N ATOM 199 CA THR A 16 13.546 -8.240 4.547 1.00 0.28 C ATOM 200 C THR A 16 14.356 -8.696 5.766 1.00 0.32 C ATOM 201 O THR A 16 14.048 -8.336 6.885 1.00 0.38 O ATOM 202 CB THR A 16 14.465 -7.967 3.345 1.00 0.28 C ATOM 203 OG1 THR A 16 15.279 -9.102 3.094 1.00 0.39 O ATOM 204 CG2 THR A 16 15.349 -6.752 3.624 1.00 0.27 C ATOM 0 H THR A 16 13.026 -6.181 4.338 1.00 0.22 H new ATOM 0 HA THR A 16 12.850 -9.031 4.266 1.00 0.28 H new ATOM 0 HB THR A 16 13.849 -7.764 2.469 1.00 0.28 H new ATOM 0 HG1 THR A 16 15.861 -8.924 2.326 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.996 -6.568 2.766 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.722 -5.878 3.800 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.961 -6.942 4.506 1.00 0.27 H new ATOM 212 N ALA A 17 15.380 -9.486 5.574 1.00 0.36 N ATOM 213 CA ALA A 17 16.191 -9.962 6.736 1.00 0.42 C ATOM 214 C ALA A 17 17.663 -10.033 6.334 1.00 0.45 C ATOM 215 O ALA A 17 18.500 -10.503 7.079 1.00 0.63 O ATOM 216 CB ALA A 17 15.710 -11.355 7.146 1.00 0.50 C ATOM 0 H ALA A 17 15.691 -9.823 4.663 1.00 0.36 H new ATOM 0 HA ALA A 17 16.076 -9.271 7.571 1.00 0.42 H new ATOM 0 HB1 ALA A 17 16.298 -11.708 7.993 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.658 -11.308 7.428 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.831 -12.043 6.309 1.00 0.50 H new ATOM 222 N ARG A 18 17.986 -9.566 5.158 1.00 0.47 N ATOM 223 CA ARG A 18 19.404 -9.597 4.693 1.00 0.48 C ATOM 224 C ARG A 18 19.693 -8.333 3.883 1.00 0.41 C ATOM 225 O ARG A 18 18.913 -7.933 3.042 1.00 0.37 O ATOM 226 CB ARG A 18 19.618 -10.830 3.809 1.00 0.53 C ATOM 227 CG ARG A 18 19.772 -12.072 4.690 1.00 0.70 C ATOM 228 CD ARG A 18 19.696 -13.323 3.816 1.00 1.15 C ATOM 229 NE ARG A 18 20.196 -14.498 4.585 1.00 1.96 N ATOM 230 CZ ARG A 18 19.952 -15.707 4.159 1.00 2.64 C ATOM 231 NH1 ARG A 18 19.272 -15.886 3.060 1.00 2.84 N ATOM 232 NH2 ARG A 18 20.389 -16.736 4.832 1.00 3.63 N ATOM 0 H ARG A 18 17.325 -9.162 4.495 1.00 0.47 H new ATOM 0 HA ARG A 18 20.074 -9.643 5.551 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.774 -10.955 3.131 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.506 -10.697 3.191 1.00 0.53 H new ATOM 0 HG2 ARG A 18 20.725 -12.041 5.219 1.00 0.70 H new ATOM 0 HG3 ARG A 18 18.988 -12.095 5.447 1.00 0.70 H new ATOM 0 HD2 ARG A 18 18.668 -13.495 3.497 1.00 1.15 H new ATOM 0 HD3 ARG A 18 20.291 -13.186 2.913 1.00 1.15 H new ATOM 0 HE ARG A 18 20.728 -14.357 5.444 1.00 1.96 H new ATOM 0 HH11 ARG A 18 18.931 -15.081 2.534 1.00 2.84 H new ATOM 0 HH12 ARG A 18 19.081 -16.831 2.727 1.00 2.84 H new ATOM 0 HH21 ARG A 18 20.921 -16.595 5.691 1.00 3.63 H new ATOM 0 HH22 ARG A 18 20.198 -17.681 4.499 1.00 3.63 H new ATOM 246 N LYS A 19 20.809 -7.702 4.122 1.00 0.40 N ATOM 247 CA LYS A 19 21.138 -6.472 3.354 1.00 0.35 C ATOM 248 C LYS A 19 21.299 -6.845 1.877 1.00 0.31 C ATOM 249 O LYS A 19 21.964 -7.803 1.535 1.00 0.33 O ATOM 250 CB LYS A 19 22.440 -5.861 3.902 1.00 0.38 C ATOM 251 CG LYS A 19 23.069 -4.920 2.866 1.00 0.40 C ATOM 252 CD LYS A 19 24.130 -4.048 3.539 1.00 0.62 C ATOM 253 CE LYS A 19 25.244 -4.925 4.114 1.00 0.97 C ATOM 254 NZ LYS A 19 25.616 -5.980 3.129 1.00 1.79 N ATOM 0 H LYS A 19 21.504 -7.984 4.813 1.00 0.40 H new ATOM 0 HA LYS A 19 20.340 -5.736 3.454 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.233 -5.313 4.821 1.00 0.38 H new ATOM 0 HB3 LYS A 19 23.143 -6.655 4.155 1.00 0.38 H new ATOM 0 HG2 LYS A 19 23.519 -5.500 2.060 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.300 -4.292 2.417 1.00 0.40 H new ATOM 0 HD2 LYS A 19 24.546 -3.345 2.817 1.00 0.62 H new ATOM 0 HD3 LYS A 19 23.675 -3.457 4.334 1.00 0.62 H new ATOM 0 HE2 LYS A 19 26.114 -4.314 4.352 1.00 0.97 H new ATOM 0 HE3 LYS A 19 24.913 -5.385 5.045 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 26.600 -6.275 3.291 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 24.985 -6.799 3.243 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 25.523 -5.603 2.164 1.00 1.79 H new ATOM 268 N LEU A 20 20.688 -6.098 1.001 1.00 0.27 N ATOM 269 CA LEU A 20 20.797 -6.410 -0.450 1.00 0.27 C ATOM 270 C LEU A 20 22.199 -6.008 -0.961 1.00 0.27 C ATOM 271 O LEU A 20 22.605 -4.883 -0.744 1.00 0.27 O ATOM 272 CB LEU A 20 19.755 -5.591 -1.212 1.00 0.24 C ATOM 273 CG LEU A 20 18.392 -5.696 -0.524 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.335 -5.036 -1.411 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.027 -7.170 -0.307 1.00 0.27 C ATOM 0 H LEU A 20 20.117 -5.284 1.228 1.00 0.27 H new ATOM 0 HA LEU A 20 20.635 -7.477 -0.605 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.067 -4.548 -1.260 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.681 -5.949 -2.239 1.00 0.24 H new ATOM 0 HG LEU A 20 18.434 -5.194 0.443 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.360 -5.106 -0.929 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.590 -3.987 -1.562 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.300 -5.544 -2.375 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.056 -7.236 0.183 1.00 0.27 H new ATOM 0 HD22 LEU A 20 17.983 -7.679 -1.270 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.783 -7.643 0.320 1.00 0.27 H new ATOM 287 N PRO A 21 22.910 -6.894 -1.646 1.00 0.31 N ATOM 288 CA PRO A 21 24.239 -6.535 -2.175 1.00 0.34 C ATOM 289 C PRO A 21 24.119 -5.291 -3.057 1.00 0.30 C ATOM 290 O PRO A 21 23.152 -5.120 -3.771 1.00 0.29 O ATOM 291 CB PRO A 21 24.684 -7.758 -3.010 1.00 0.39 C ATOM 292 CG PRO A 21 23.639 -8.885 -2.774 1.00 0.42 C ATOM 293 CD PRO A 21 22.483 -8.281 -1.945 1.00 0.35 C ATOM 0 HA PRO A 21 24.957 -6.305 -1.388 1.00 0.34 H new ATOM 0 HB2 PRO A 21 24.740 -7.501 -4.068 1.00 0.39 H new ATOM 0 HB3 PRO A 21 25.679 -8.087 -2.709 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.269 -9.270 -3.724 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.092 -9.724 -2.245 1.00 0.42 H new ATOM 0 HD2 PRO A 21 21.547 -8.294 -2.504 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.315 -8.848 -1.030 1.00 0.35 H new ATOM 301 N ARG A 22 25.096 -4.431 -3.032 1.00 0.31 N ATOM 302 CA ARG A 22 25.029 -3.221 -3.895 1.00 0.30 C ATOM 303 C ARG A 22 24.714 -3.667 -5.325 1.00 0.31 C ATOM 304 O ARG A 22 24.021 -2.995 -6.063 1.00 0.31 O ATOM 305 CB ARG A 22 26.378 -2.490 -3.858 1.00 0.33 C ATOM 306 CG ARG A 22 26.386 -1.331 -4.868 1.00 0.69 C ATOM 307 CD ARG A 22 25.179 -0.415 -4.631 1.00 1.24 C ATOM 308 NE ARG A 22 25.458 0.930 -5.209 1.00 1.34 N ATOM 309 CZ ARG A 22 24.480 1.776 -5.393 1.00 2.07 C ATOM 310 NH1 ARG A 22 23.260 1.442 -5.073 1.00 2.89 N ATOM 311 NH2 ARG A 22 24.722 2.955 -5.897 1.00 2.44 N ATOM 0 H ARG A 22 25.933 -4.512 -2.455 1.00 0.31 H new ATOM 0 HA ARG A 22 24.254 -2.543 -3.539 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.565 -2.108 -2.854 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.183 -3.187 -4.088 1.00 0.33 H new ATOM 0 HG2 ARG A 22 27.310 -0.760 -4.771 1.00 0.69 H new ATOM 0 HG3 ARG A 22 26.360 -1.724 -5.884 1.00 0.69 H new ATOM 0 HD2 ARG A 22 24.288 -0.843 -5.090 1.00 1.24 H new ATOM 0 HD3 ARG A 22 24.977 -0.330 -3.563 1.00 1.24 H new ATOM 0 HE ARG A 22 26.412 1.190 -5.461 1.00 1.34 H new ATOM 0 HH11 ARG A 22 23.070 0.520 -4.679 1.00 2.89 H new ATOM 0 HH12 ARG A 22 22.496 2.102 -5.217 1.00 2.89 H new ATOM 0 HH21 ARG A 22 25.675 3.217 -6.148 1.00 2.44 H new ATOM 0 HH22 ARG A 22 23.958 3.615 -6.040 1.00 2.44 H new ATOM 325 N ASN A 23 25.220 -4.808 -5.713 1.00 0.34 N ATOM 326 CA ASN A 23 24.954 -5.319 -7.088 1.00 0.37 C ATOM 327 C ASN A 23 23.516 -5.838 -7.177 1.00 0.37 C ATOM 328 O ASN A 23 23.174 -6.587 -8.071 1.00 0.40 O ATOM 329 CB ASN A 23 25.930 -6.454 -7.409 1.00 0.42 C ATOM 330 CG ASN A 23 25.642 -7.651 -6.501 1.00 1.47 C ATOM 331 OD1 ASN A 23 24.578 -8.233 -6.561 1.00 2.16 O ATOM 332 ND2 ASN A 23 26.555 -8.047 -5.654 1.00 2.38 N ATOM 0 H ASN A 23 25.807 -5.409 -5.135 1.00 0.34 H new ATOM 0 HA ASN A 23 25.089 -4.510 -7.806 1.00 0.37 H new ATOM 0 HB2 ASN A 23 25.832 -6.746 -8.455 1.00 0.42 H new ATOM 0 HB3 ASN A 23 26.956 -6.116 -7.267 1.00 0.42 H new ATOM 0 HD21 ASN A 23 26.373 -8.844 -5.044 1.00 2.38 H new ATOM 0 HD22 ASN A 23 27.449 -7.559 -5.603 1.00 2.38 H new ATOM 339 N PHE A 24 22.674 -5.455 -6.252 1.00 0.33 N ATOM 340 CA PHE A 24 21.254 -5.934 -6.273 1.00 0.33 C ATOM 341 C PHE A 24 20.333 -4.771 -5.889 1.00 0.30 C ATOM 342 O PHE A 24 19.262 -4.962 -5.349 1.00 0.28 O ATOM 343 CB PHE A 24 21.105 -7.086 -5.259 1.00 0.33 C ATOM 344 CG PHE A 24 19.898 -7.946 -5.592 1.00 0.35 C ATOM 345 CD1 PHE A 24 19.827 -8.618 -6.832 1.00 0.39 C ATOM 346 CD2 PHE A 24 18.851 -8.088 -4.659 1.00 0.35 C ATOM 347 CE1 PHE A 24 18.713 -9.424 -7.133 1.00 0.41 C ATOM 348 CE2 PHE A 24 17.738 -8.894 -4.963 1.00 0.37 C ATOM 349 CZ PHE A 24 17.669 -9.562 -6.199 1.00 0.41 C ATOM 0 H PHE A 24 22.907 -4.830 -5.480 1.00 0.33 H new ATOM 0 HA PHE A 24 20.985 -6.291 -7.267 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.006 -7.699 -5.264 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.001 -6.680 -4.253 1.00 0.33 H new ATOM 0 HD1 PHE A 24 20.627 -8.513 -7.549 1.00 0.39 H new ATOM 0 HD2 PHE A 24 18.903 -7.577 -3.709 1.00 0.35 H new ATOM 0 HE1 PHE A 24 18.659 -9.937 -8.082 1.00 0.41 H new ATOM 0 HE2 PHE A 24 16.936 -9.000 -4.247 1.00 0.37 H new ATOM 0 HZ PHE A 24 16.815 -10.181 -6.431 1.00 0.41 H new ATOM 359 N VAL A 25 20.748 -3.564 -6.177 1.00 0.30 N ATOM 360 CA VAL A 25 19.915 -2.369 -5.848 1.00 0.28 C ATOM 361 C VAL A 25 20.195 -1.272 -6.875 1.00 0.30 C ATOM 362 O VAL A 25 21.070 -0.449 -6.695 1.00 0.31 O ATOM 363 CB VAL A 25 20.279 -1.851 -4.454 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.341 -0.706 -4.074 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.138 -2.978 -3.430 1.00 0.23 C ATOM 0 H VAL A 25 21.637 -3.354 -6.630 1.00 0.30 H new ATOM 0 HA VAL A 25 18.861 -2.645 -5.868 1.00 0.28 H new ATOM 0 HB VAL A 25 21.309 -1.495 -4.462 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.600 -0.337 -3.082 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.441 0.102 -4.799 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.312 -1.065 -4.070 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.398 -2.604 -2.440 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.109 -3.337 -3.424 1.00 0.23 H new ATOM 0 HG23 VAL A 25 20.806 -3.797 -3.696 1.00 0.23 H new ATOM 375 N VAL A 26 19.466 -1.258 -7.959 1.00 0.33 N ATOM 376 CA VAL A 26 19.696 -0.222 -9.003 1.00 0.36 C ATOM 377 C VAL A 26 18.897 1.036 -8.670 1.00 0.35 C ATOM 378 O VAL A 26 19.075 2.072 -9.278 1.00 0.37 O ATOM 379 CB VAL A 26 19.245 -0.765 -10.358 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.121 -1.958 -10.742 1.00 0.78 C ATOM 381 CG2 VAL A 26 17.783 -1.212 -10.273 1.00 0.61 C ATOM 0 H VAL A 26 18.720 -1.922 -8.165 1.00 0.33 H new ATOM 0 HA VAL A 26 20.757 0.026 -9.038 1.00 0.36 H new ATOM 0 HB VAL A 26 19.340 0.017 -11.112 1.00 0.41 H new ATOM 0 HG11 VAL A 26 19.802 -2.348 -11.709 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.162 -1.640 -10.805 1.00 0.78 H new ATOM 0 HG13 VAL A 26 20.025 -2.738 -9.987 1.00 0.78 H new ATOM 0 HG21 VAL A 26 17.464 -1.599 -11.241 1.00 0.61 H new ATOM 0 HG22 VAL A 26 17.685 -1.993 -9.520 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.158 -0.362 -9.998 1.00 0.61 H new ATOM 391 N ASP A 27 18.018 0.959 -7.711 1.00 0.32 N ATOM 392 CA ASP A 27 17.218 2.162 -7.355 1.00 0.31 C ATOM 393 C ASP A 27 16.449 1.896 -6.066 1.00 0.27 C ATOM 394 O ASP A 27 16.633 0.883 -5.421 1.00 0.25 O ATOM 395 CB ASP A 27 16.231 2.467 -8.486 1.00 0.34 C ATOM 396 CG ASP A 27 15.662 3.874 -8.301 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.413 4.822 -8.461 1.00 1.13 O ATOM 398 OD2 ASP A 27 14.483 3.981 -8.005 1.00 1.09 O ATOM 0 H ASP A 27 17.820 0.122 -7.162 1.00 0.32 H new ATOM 0 HA ASP A 27 17.882 3.014 -7.212 1.00 0.31 H new ATOM 0 HB2 ASP A 27 16.732 2.390 -9.451 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.424 1.734 -8.486 1.00 0.34 H new ATOM 403 N TYR A 28 15.588 2.796 -5.684 1.00 0.26 N ATOM 404 CA TYR A 28 14.808 2.587 -4.435 1.00 0.23 C ATOM 405 C TYR A 28 13.514 3.392 -4.493 1.00 0.25 C ATOM 406 O TYR A 28 13.191 4.016 -5.484 1.00 0.29 O ATOM 407 CB TYR A 28 15.639 3.009 -3.216 1.00 0.19 C ATOM 408 CG TYR A 28 15.738 4.520 -3.125 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.385 5.251 -4.142 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.191 5.197 -2.015 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.483 6.652 -4.049 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.291 6.596 -1.920 1.00 0.22 C ATOM 413 CZ TYR A 28 15.936 7.325 -2.937 1.00 0.25 C ATOM 414 OH TYR A 28 16.033 8.699 -2.846 1.00 0.28 O ATOM 0 H TYR A 28 15.391 3.665 -6.181 1.00 0.26 H new ATOM 0 HA TYR A 28 14.564 1.529 -4.341 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.185 2.615 -2.307 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.638 2.579 -3.285 1.00 0.19 H new ATOM 0 HD1 TYR A 28 16.806 4.736 -4.993 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.694 4.639 -1.236 1.00 0.19 H new ATOM 0 HE1 TYR A 28 16.977 7.212 -4.829 1.00 0.26 H new ATOM 0 HE2 TYR A 28 14.873 7.111 -1.068 1.00 0.22 H new ATOM 0 HH TYR A 28 15.604 9.003 -2.019 1.00 0.28 H new ATOM 424 N TYR A 29 12.768 3.361 -3.434 1.00 0.23 N ATOM 425 CA TYR A 29 11.479 4.094 -3.393 1.00 0.25 C ATOM 426 C TYR A 29 11.068 4.260 -1.925 1.00 0.22 C ATOM 427 O TYR A 29 11.209 3.352 -1.135 1.00 0.23 O ATOM 428 CB TYR A 29 10.437 3.271 -4.171 1.00 0.29 C ATOM 429 CG TYR A 29 9.033 3.678 -3.788 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.516 4.910 -4.226 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.246 2.823 -2.994 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.208 5.289 -3.870 1.00 0.39 C ATOM 433 CE2 TYR A 29 6.938 3.202 -2.636 1.00 0.38 C ATOM 434 CZ TYR A 29 6.418 4.435 -3.074 1.00 0.36 C ATOM 435 OH TYR A 29 5.136 4.807 -2.725 1.00 0.39 O ATOM 0 H TYR A 29 12.999 2.852 -2.581 1.00 0.23 H new ATOM 0 HA TYR A 29 11.561 5.081 -3.848 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.582 3.413 -5.242 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.580 2.210 -3.968 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.122 5.565 -4.835 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.645 1.877 -2.660 1.00 0.35 H new ATOM 0 HE1 TYR A 29 6.809 6.235 -4.207 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.334 2.547 -2.026 1.00 0.38 H new ATOM 0 HH TYR A 29 4.730 4.105 -2.176 1.00 0.39 H new ATOM 445 N GLU A 30 10.568 5.407 -1.548 1.00 0.22 N ATOM 446 CA GLU A 30 10.157 5.613 -0.123 1.00 0.20 C ATOM 447 C GLU A 30 8.654 5.349 0.012 1.00 0.21 C ATOM 448 O GLU A 30 7.907 5.438 -0.943 1.00 0.24 O ATOM 449 CB GLU A 30 10.469 7.052 0.296 1.00 0.22 C ATOM 450 CG GLU A 30 11.962 7.186 0.611 1.00 0.25 C ATOM 451 CD GLU A 30 12.344 8.666 0.665 1.00 0.69 C ATOM 452 OE1 GLU A 30 12.167 9.340 -0.337 1.00 1.43 O ATOM 453 OE2 GLU A 30 12.807 9.101 1.706 1.00 1.35 O ATOM 0 H GLU A 30 10.426 6.210 -2.161 1.00 0.22 H new ATOM 0 HA GLU A 30 10.706 4.925 0.521 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.193 7.741 -0.502 1.00 0.22 H new ATOM 0 HB3 GLU A 30 9.877 7.323 1.170 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.187 6.707 1.564 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.552 6.675 -0.150 1.00 0.25 H new ATOM 460 N THR A 31 8.210 5.015 1.192 1.00 0.19 N ATOM 461 CA THR A 31 6.758 4.731 1.401 1.00 0.21 C ATOM 462 C THR A 31 5.952 6.029 1.364 1.00 0.25 C ATOM 463 O THR A 31 6.431 7.066 0.951 1.00 0.27 O ATOM 464 CB THR A 31 6.572 4.073 2.766 1.00 0.20 C ATOM 465 OG1 THR A 31 7.257 4.839 3.740 1.00 0.21 O ATOM 466 CG2 THR A 31 7.133 2.653 2.722 1.00 0.20 C ATOM 0 H THR A 31 8.791 4.926 2.025 1.00 0.19 H new ATOM 0 HA THR A 31 6.408 4.070 0.608 1.00 0.21 H new ATOM 0 HB THR A 31 5.513 4.027 3.022 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.510 5.705 3.357 1.00 0.21 H new ATOM 0 HG21 THR A 31 7.002 2.180 3.695 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.604 2.076 1.964 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.194 2.689 2.476 1.00 0.20 H new ATOM 474 N SER A 32 4.724 5.967 1.803 1.00 0.27 N ATOM 475 CA SER A 32 3.861 7.180 1.812 1.00 0.31 C ATOM 476 C SER A 32 4.097 7.964 3.102 1.00 0.33 C ATOM 477 O SER A 32 5.194 8.021 3.620 1.00 0.33 O ATOM 478 CB SER A 32 2.395 6.754 1.743 1.00 0.33 C ATOM 479 OG SER A 32 1.590 7.887 1.442 1.00 1.27 O ATOM 0 H SER A 32 4.279 5.121 2.158 1.00 0.27 H new ATOM 0 HA SER A 32 4.104 7.807 0.955 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.263 5.987 0.980 1.00 0.33 H new ATOM 0 HB3 SER A 32 2.087 6.316 2.692 1.00 0.33 H new ATOM 0 HG SER A 32 0.887 7.630 0.810 1.00 1.27 H new ATOM 485 N SER A 33 3.065 8.569 3.621 1.00 0.36 N ATOM 486 CA SER A 33 3.197 9.360 4.882 1.00 0.40 C ATOM 487 C SER A 33 1.948 9.142 5.729 1.00 0.40 C ATOM 488 O SER A 33 2.004 9.080 6.941 1.00 0.42 O ATOM 489 CB SER A 33 3.309 10.840 4.535 1.00 0.46 C ATOM 490 OG SER A 33 2.010 11.364 4.292 1.00 0.48 O ATOM 0 H SER A 33 2.126 8.550 3.223 1.00 0.36 H new ATOM 0 HA SER A 33 4.084 9.042 5.431 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.786 11.382 5.352 1.00 0.46 H new ATOM 0 HB3 SER A 33 3.938 10.973 3.655 1.00 0.46 H new ATOM 0 HG SER A 33 2.078 12.316 4.070 1.00 0.48 H new ATOM 496 N LEU A 34 0.820 9.032 5.081 1.00 0.39 N ATOM 497 CA LEU A 34 -0.471 8.820 5.803 1.00 0.39 C ATOM 498 C LEU A 34 -0.272 7.848 6.967 1.00 0.37 C ATOM 499 O LEU A 34 -0.561 8.157 8.106 1.00 0.40 O ATOM 500 CB LEU A 34 -1.500 8.230 4.835 1.00 0.36 C ATOM 501 CG LEU A 34 -1.426 8.946 3.486 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.578 8.474 2.593 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.528 10.461 3.702 1.00 0.45 C ATOM 0 H LEU A 34 0.736 9.081 4.066 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.822 9.777 6.189 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.314 7.164 4.700 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.502 8.329 5.253 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.476 8.714 3.004 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.525 8.984 1.631 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.500 7.398 2.438 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.529 8.704 3.074 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.475 10.970 2.740 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.476 10.697 4.186 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.705 10.795 4.335 1.00 0.45 H new ATOM 515 N CYS A 35 0.217 6.677 6.685 1.00 0.33 N ATOM 516 CA CYS A 35 0.433 5.684 7.771 1.00 0.34 C ATOM 517 C CYS A 35 1.591 6.155 8.660 1.00 0.39 C ATOM 518 O CYS A 35 2.649 6.504 8.185 1.00 0.38 O ATOM 519 CB CYS A 35 0.757 4.315 7.158 1.00 0.32 C ATOM 520 SG CYS A 35 1.841 4.525 5.724 1.00 0.39 S ATOM 0 H CYS A 35 0.477 6.363 5.750 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.469 5.593 8.376 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.240 3.679 7.900 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.163 3.813 6.859 1.00 0.32 H new ATOM 525 N SER A 36 1.379 6.195 9.946 1.00 0.44 N ATOM 526 CA SER A 36 2.450 6.662 10.877 1.00 0.51 C ATOM 527 C SER A 36 3.645 5.694 10.892 1.00 0.51 C ATOM 528 O SER A 36 4.300 5.545 11.904 1.00 0.58 O ATOM 529 CB SER A 36 1.874 6.766 12.289 1.00 0.59 C ATOM 530 OG SER A 36 2.793 7.462 13.121 1.00 1.41 O ATOM 0 H SER A 36 0.505 5.923 10.397 1.00 0.44 H new ATOM 0 HA SER A 36 2.802 7.634 10.532 1.00 0.51 H new ATOM 0 HB2 SER A 36 0.918 7.289 12.267 1.00 0.59 H new ATOM 0 HB3 SER A 36 1.684 5.771 12.691 1.00 0.59 H new ATOM 0 HG SER A 36 3.685 7.066 13.026 1.00 1.41 H new ATOM 536 N GLN A 37 3.949 5.031 9.803 1.00 0.45 N ATOM 537 CA GLN A 37 5.114 4.089 9.826 1.00 0.47 C ATOM 538 C GLN A 37 5.693 3.899 8.416 1.00 0.36 C ATOM 539 O GLN A 37 5.612 2.819 7.870 1.00 0.35 O ATOM 540 CB GLN A 37 4.657 2.731 10.375 1.00 0.55 C ATOM 541 CG GLN A 37 3.337 2.319 9.716 1.00 0.78 C ATOM 542 CD GLN A 37 2.887 0.968 10.275 1.00 0.79 C ATOM 543 OE1 GLN A 37 2.571 0.855 11.442 1.00 1.24 O ATOM 544 NE2 GLN A 37 2.844 -0.070 9.484 1.00 1.47 N ATOM 0 H GLN A 37 3.453 5.098 8.914 1.00 0.45 H new ATOM 0 HA GLN A 37 5.890 4.511 10.465 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.420 1.976 10.184 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.531 2.790 11.456 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.574 3.074 9.903 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.463 2.254 8.635 1.00 0.78 H new ATOM 0 HE21 GLN A 37 3.109 0.025 8.504 1.00 1.47 H new ATOM 0 HE22 GLN A 37 2.545 -0.975 9.846 1.00 1.47 H new ATOM 553 N PRO A 38 6.282 4.941 7.869 1.00 0.34 N ATOM 554 CA PRO A 38 6.895 4.867 6.528 1.00 0.26 C ATOM 555 C PRO A 38 8.164 4.003 6.599 1.00 0.25 C ATOM 556 O PRO A 38 8.544 3.518 7.645 1.00 0.27 O ATOM 557 CB PRO A 38 7.241 6.333 6.173 1.00 0.33 C ATOM 558 CG PRO A 38 7.009 7.187 7.455 1.00 0.43 C ATOM 559 CD PRO A 38 6.379 6.265 8.523 1.00 0.43 C ATOM 0 HA PRO A 38 6.241 4.418 5.780 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.276 6.414 5.839 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.614 6.689 5.356 1.00 0.33 H new ATOM 0 HG2 PRO A 38 7.951 7.602 7.815 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.351 8.029 7.240 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.997 6.219 9.420 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.398 6.628 8.830 1.00 0.43 H new ATOM 567 N ALA A 39 8.818 3.822 5.490 1.00 0.23 N ATOM 568 CA ALA A 39 10.059 3.012 5.461 1.00 0.22 C ATOM 569 C ALA A 39 10.728 3.218 4.106 1.00 0.19 C ATOM 570 O ALA A 39 10.137 3.774 3.202 1.00 0.22 O ATOM 571 CB ALA A 39 9.716 1.532 5.642 1.00 0.23 C ATOM 0 H ALA A 39 8.539 4.208 4.588 1.00 0.23 H new ATOM 0 HA ALA A 39 10.727 3.319 6.266 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.632 0.941 5.620 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.215 1.389 6.599 1.00 0.23 H new ATOM 0 HB3 ALA A 39 9.057 1.210 4.836 1.00 0.23 H new ATOM 577 N VAL A 40 11.938 2.759 3.940 1.00 0.15 N ATOM 578 CA VAL A 40 12.617 2.916 2.619 1.00 0.13 C ATOM 579 C VAL A 40 12.436 1.609 1.855 1.00 0.13 C ATOM 580 O VAL A 40 12.454 0.540 2.432 1.00 0.18 O ATOM 581 CB VAL A 40 14.110 3.205 2.825 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.872 2.966 1.516 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.285 4.664 3.239 1.00 0.16 C ATOM 0 H VAL A 40 12.485 2.284 4.658 1.00 0.15 H new ATOM 0 HA VAL A 40 12.187 3.749 2.062 1.00 0.13 H new ATOM 0 HB VAL A 40 14.500 2.544 3.599 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.931 3.173 1.669 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.746 1.929 1.206 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.481 3.626 0.742 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.344 4.876 3.387 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.891 5.314 2.458 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.745 4.846 4.168 1.00 0.16 H new ATOM 593 N VAL A 41 12.245 1.692 0.566 1.00 0.15 N ATOM 594 CA VAL A 41 12.039 0.457 -0.257 1.00 0.16 C ATOM 595 C VAL A 41 13.135 0.358 -1.321 1.00 0.16 C ATOM 596 O VAL A 41 13.284 1.223 -2.153 1.00 0.18 O ATOM 597 CB VAL A 41 10.661 0.525 -0.924 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.228 -0.874 -1.356 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.637 1.076 0.073 1.00 0.23 C ATOM 0 H VAL A 41 12.222 2.566 0.041 1.00 0.15 H new ATOM 0 HA VAL A 41 12.089 -0.425 0.381 1.00 0.16 H new ATOM 0 HB VAL A 41 10.718 1.177 -1.796 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.248 -0.821 -1.830 1.00 0.25 H new ATOM 0 HG12 VAL A 41 10.952 -1.277 -2.064 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.174 -1.524 -0.483 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.657 1.124 -0.401 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.587 0.421 0.943 1.00 0.23 H new ATOM 0 HG23 VAL A 41 9.937 2.075 0.388 1.00 0.23 H new ATOM 609 N PHE A 42 13.912 -0.694 -1.299 1.00 0.15 N ATOM 610 CA PHE A 42 15.006 -0.839 -2.308 1.00 0.17 C ATOM 611 C PHE A 42 14.493 -1.592 -3.539 1.00 0.21 C ATOM 612 O PHE A 42 13.820 -2.597 -3.433 1.00 0.23 O ATOM 613 CB PHE A 42 16.170 -1.631 -1.697 1.00 0.16 C ATOM 614 CG PHE A 42 16.949 -0.757 -0.739 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.644 0.369 -1.220 1.00 0.14 C ATOM 616 CD2 PHE A 42 16.991 -1.075 0.634 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.378 1.177 -0.331 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.727 -0.269 1.521 1.00 0.14 C ATOM 619 CZ PHE A 42 18.420 0.858 1.039 1.00 0.14 C ATOM 0 H PHE A 42 13.837 -1.458 -0.628 1.00 0.15 H new ATOM 0 HA PHE A 42 15.342 0.155 -2.602 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.788 -2.507 -1.173 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.828 -1.993 -2.487 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.614 0.613 -2.272 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.458 -1.938 1.005 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.909 2.042 -0.700 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.761 -0.515 2.572 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.984 1.478 1.721 1.00 0.14 H new ATOM 629 N GLN A 43 14.835 -1.119 -4.710 1.00 0.24 N ATOM 630 CA GLN A 43 14.409 -1.804 -5.967 1.00 0.28 C ATOM 631 C GLN A 43 15.594 -2.644 -6.456 1.00 0.30 C ATOM 632 O GLN A 43 16.680 -2.125 -6.653 1.00 0.30 O ATOM 633 CB GLN A 43 14.038 -0.746 -7.007 1.00 0.32 C ATOM 634 CG GLN A 43 12.789 0.006 -6.545 1.00 0.32 C ATOM 635 CD GLN A 43 12.551 1.211 -7.455 1.00 0.58 C ATOM 636 OE1 GLN A 43 12.484 2.333 -6.994 1.00 1.29 O ATOM 637 NE2 GLN A 43 12.419 1.027 -8.741 1.00 1.31 N ATOM 0 H GLN A 43 15.397 -0.279 -4.850 1.00 0.24 H new ATOM 0 HA GLN A 43 13.543 -2.444 -5.800 1.00 0.28 H new ATOM 0 HB2 GLN A 43 14.865 -0.049 -7.144 1.00 0.32 H new ATOM 0 HB3 GLN A 43 13.855 -1.218 -7.972 1.00 0.32 H new ATOM 0 HG2 GLN A 43 11.924 -0.657 -6.568 1.00 0.32 H new ATOM 0 HG3 GLN A 43 12.911 0.335 -5.513 1.00 0.32 H new ATOM 0 HE21 GLN A 43 12.475 0.086 -9.130 1.00 1.31 H new ATOM 0 HE22 GLN A 43 12.260 1.825 -9.357 1.00 1.31 H new ATOM 646 N THR A 44 15.421 -3.942 -6.614 1.00 0.32 N ATOM 647 CA THR A 44 16.584 -4.799 -7.038 1.00 0.34 C ATOM 648 C THR A 44 16.567 -5.079 -8.539 1.00 0.39 C ATOM 649 O THR A 44 15.951 -4.377 -9.317 1.00 0.41 O ATOM 650 CB THR A 44 16.525 -6.132 -6.296 1.00 0.34 C ATOM 651 OG1 THR A 44 15.614 -6.992 -6.958 1.00 0.38 O ATOM 652 CG2 THR A 44 16.060 -5.896 -4.857 1.00 0.29 C ATOM 0 H THR A 44 14.541 -4.438 -6.471 1.00 0.32 H new ATOM 0 HA THR A 44 17.499 -4.257 -6.798 1.00 0.34 H new ATOM 0 HB THR A 44 17.514 -6.590 -6.282 1.00 0.34 H new ATOM 0 HG1 THR A 44 15.922 -7.919 -6.877 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.018 -6.848 -4.327 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.761 -5.231 -4.353 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.070 -5.441 -4.865 1.00 0.29 H new ATOM 660 N LYS A 45 17.268 -6.114 -8.941 1.00 0.43 N ATOM 661 CA LYS A 45 17.347 -6.488 -10.386 1.00 0.48 C ATOM 662 C LYS A 45 16.574 -7.789 -10.629 1.00 0.51 C ATOM 663 O LYS A 45 16.214 -8.098 -11.747 1.00 0.56 O ATOM 664 CB LYS A 45 18.814 -6.714 -10.770 1.00 0.50 C ATOM 665 CG LYS A 45 19.684 -5.582 -10.223 1.00 0.46 C ATOM 666 CD LYS A 45 21.147 -5.856 -10.583 1.00 0.49 C ATOM 667 CE LYS A 45 22.015 -4.660 -10.184 1.00 0.54 C ATOM 668 NZ LYS A 45 23.443 -5.084 -10.124 1.00 1.55 N ATOM 0 H LYS A 45 17.796 -6.723 -8.317 1.00 0.43 H new ATOM 0 HA LYS A 45 16.917 -5.686 -10.986 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.158 -7.670 -10.375 1.00 0.50 H new ATOM 0 HB3 LYS A 45 18.910 -6.764 -11.855 1.00 0.50 H new ATOM 0 HG2 LYS A 45 19.366 -4.627 -10.642 1.00 0.46 H new ATOM 0 HG3 LYS A 45 19.570 -5.509 -9.141 1.00 0.46 H new ATOM 0 HD2 LYS A 45 21.494 -6.754 -10.073 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.239 -6.042 -11.653 1.00 0.49 H new ATOM 0 HE2 LYS A 45 21.894 -3.852 -10.905 1.00 0.54 H new ATOM 0 HE3 LYS A 45 21.698 -4.273 -9.216 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 24.012 -4.328 -9.693 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 23.525 -5.948 -9.551 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 23.790 -5.272 -11.086 1.00 1.55 H new ATOM 682 N ARG A 46 16.334 -8.564 -9.594 1.00 0.50 N ATOM 683 CA ARG A 46 15.600 -9.861 -9.767 1.00 0.54 C ATOM 684 C ARG A 46 14.482 -9.944 -8.721 1.00 0.49 C ATOM 685 O ARG A 46 14.351 -10.909 -8.001 1.00 0.48 O ATOM 686 CB ARG A 46 16.596 -11.026 -9.586 1.00 0.59 C ATOM 687 CG ARG A 46 16.089 -12.316 -10.274 1.00 0.72 C ATOM 688 CD ARG A 46 15.056 -13.050 -9.403 1.00 0.92 C ATOM 689 NE ARG A 46 15.060 -14.509 -9.746 1.00 1.48 N ATOM 690 CZ ARG A 46 14.925 -14.923 -10.979 1.00 2.13 C ATOM 691 NH1 ARG A 46 14.581 -14.091 -11.924 1.00 2.62 N ATOM 692 NH2 ARG A 46 15.074 -16.189 -11.255 1.00 2.82 N ATOM 0 H ARG A 46 16.615 -8.353 -8.636 1.00 0.50 H new ATOM 0 HA ARG A 46 15.159 -9.921 -10.762 1.00 0.54 H new ATOM 0 HB2 ARG A 46 17.564 -10.747 -10.002 1.00 0.59 H new ATOM 0 HB3 ARG A 46 16.748 -11.215 -8.523 1.00 0.59 H new ATOM 0 HG2 ARG A 46 15.643 -12.065 -11.236 1.00 0.72 H new ATOM 0 HG3 ARG A 46 16.932 -12.977 -10.476 1.00 0.72 H new ATOM 0 HD2 ARG A 46 15.291 -12.913 -8.348 1.00 0.92 H new ATOM 0 HD3 ARG A 46 14.063 -12.630 -9.565 1.00 0.92 H new ATOM 0 HE ARG A 46 15.171 -15.195 -9.000 1.00 1.48 H new ATOM 0 HH11 ARG A 46 14.415 -13.109 -11.703 1.00 2.62 H new ATOM 0 HH12 ARG A 46 14.478 -14.423 -12.883 1.00 2.62 H new ATOM 0 HH21 ARG A 46 15.295 -16.851 -10.511 1.00 2.82 H new ATOM 0 HH22 ARG A 46 14.970 -16.517 -12.215 1.00 2.82 H new ATOM 706 N SER A 47 13.668 -8.932 -8.644 1.00 0.46 N ATOM 707 CA SER A 47 12.546 -8.936 -7.674 1.00 0.42 C ATOM 708 C SER A 47 11.623 -7.772 -8.017 1.00 0.42 C ATOM 709 O SER A 47 11.067 -7.700 -9.095 1.00 0.46 O ATOM 710 CB SER A 47 13.077 -8.798 -6.240 1.00 0.38 C ATOM 711 OG SER A 47 13.565 -7.482 -6.033 1.00 1.07 O ATOM 0 H SER A 47 13.735 -8.093 -9.220 1.00 0.46 H new ATOM 0 HA SER A 47 12.000 -9.877 -7.734 1.00 0.42 H new ATOM 0 HB2 SER A 47 12.283 -9.018 -5.526 1.00 0.38 H new ATOM 0 HB3 SER A 47 13.873 -9.522 -6.066 1.00 0.38 H new ATOM 0 HG SER A 47 14.431 -7.380 -6.480 1.00 1.07 H new ATOM 717 N LYS A 48 11.474 -6.855 -7.122 1.00 0.38 N ATOM 718 CA LYS A 48 10.612 -5.679 -7.384 1.00 0.40 C ATOM 719 C LYS A 48 11.030 -4.588 -6.416 1.00 0.35 C ATOM 720 O LYS A 48 11.933 -3.816 -6.669 1.00 0.34 O ATOM 721 CB LYS A 48 9.139 -6.030 -7.131 1.00 0.44 C ATOM 722 CG LYS A 48 8.558 -6.832 -8.304 1.00 1.11 C ATOM 723 CD LYS A 48 7.016 -6.776 -8.255 1.00 1.38 C ATOM 724 CE LYS A 48 6.505 -5.542 -9.011 1.00 2.13 C ATOM 725 NZ LYS A 48 6.511 -5.820 -10.475 1.00 2.73 N ATOM 0 H LYS A 48 11.918 -6.866 -6.204 1.00 0.38 H new ATOM 0 HA LYS A 48 10.720 -5.358 -8.420 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.052 -6.608 -6.211 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.562 -5.116 -6.989 1.00 0.44 H new ATOM 0 HG2 LYS A 48 8.917 -6.425 -9.249 1.00 1.11 H new ATOM 0 HG3 LYS A 48 8.896 -7.867 -8.253 1.00 1.11 H new ATOM 0 HD2 LYS A 48 6.598 -7.681 -8.697 1.00 1.38 H new ATOM 0 HD3 LYS A 48 6.679 -6.742 -7.219 1.00 1.38 H new ATOM 0 HE2 LYS A 48 5.497 -5.292 -8.681 1.00 2.13 H new ATOM 0 HE3 LYS A 48 7.135 -4.680 -8.791 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 6.602 -4.926 -10.998 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 7.313 -6.440 -10.707 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 5.622 -6.289 -10.743 1.00 2.73 H new ATOM 739 N GLN A 49 10.373 -4.551 -5.290 1.00 0.33 N ATOM 740 CA GLN A 49 10.684 -3.546 -4.241 1.00 0.30 C ATOM 741 C GLN A 49 10.846 -4.293 -2.908 1.00 0.25 C ATOM 742 O GLN A 49 10.166 -5.270 -2.648 1.00 0.26 O ATOM 743 CB GLN A 49 9.527 -2.521 -4.164 1.00 0.35 C ATOM 744 CG GLN A 49 8.721 -2.532 -5.469 1.00 0.82 C ATOM 745 CD GLN A 49 7.848 -1.277 -5.545 1.00 0.89 C ATOM 746 OE1 GLN A 49 6.665 -1.360 -5.811 1.00 1.53 O ATOM 747 NE2 GLN A 49 8.384 -0.109 -5.320 1.00 1.52 N ATOM 0 H GLN A 49 9.616 -5.191 -5.050 1.00 0.33 H new ATOM 0 HA GLN A 49 11.603 -3.006 -4.469 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.875 -2.760 -3.324 1.00 0.35 H new ATOM 0 HB3 GLN A 49 9.927 -1.523 -3.984 1.00 0.35 H new ATOM 0 HG2 GLN A 49 9.396 -2.570 -6.324 1.00 0.82 H new ATOM 0 HG3 GLN A 49 8.097 -3.424 -5.515 1.00 0.82 H new ATOM 0 HE21 GLN A 49 9.377 -0.038 -5.097 1.00 1.52 H new ATOM 0 HE22 GLN A 49 7.810 0.733 -5.367 1.00 1.52 H new ATOM 756 N VAL A 50 11.749 -3.853 -2.070 1.00 0.23 N ATOM 757 CA VAL A 50 11.970 -4.538 -0.755 1.00 0.19 C ATOM 758 C VAL A 50 11.987 -3.498 0.355 1.00 0.16 C ATOM 759 O VAL A 50 12.753 -2.563 0.321 1.00 0.15 O ATOM 760 CB VAL A 50 13.315 -5.271 -0.784 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.417 -6.197 0.432 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.422 -6.092 -2.077 1.00 0.31 C ATOM 0 H VAL A 50 12.347 -3.044 -2.239 1.00 0.23 H new ATOM 0 HA VAL A 50 11.168 -5.254 -0.575 1.00 0.19 H new ATOM 0 HB VAL A 50 14.128 -4.546 -0.752 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.374 -6.719 0.412 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.344 -5.607 1.346 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.606 -6.925 0.404 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.379 -6.614 -2.099 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.611 -6.819 -2.114 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.352 -5.426 -2.937 1.00 0.31 H new ATOM 772 N CYS A 51 11.148 -3.657 1.338 1.00 0.16 N ATOM 773 CA CYS A 51 11.103 -2.670 2.449 1.00 0.15 C ATOM 774 C CYS A 51 12.349 -2.820 3.318 1.00 0.14 C ATOM 775 O CYS A 51 12.916 -3.888 3.433 1.00 0.16 O ATOM 776 CB CYS A 51 9.855 -2.927 3.293 1.00 0.17 C ATOM 777 SG CYS A 51 8.378 -2.663 2.280 1.00 0.21 S ATOM 0 H CYS A 51 10.489 -4.431 1.420 1.00 0.16 H new ATOM 0 HA CYS A 51 11.070 -1.659 2.042 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.867 -3.946 3.679 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.842 -2.260 4.155 1.00 0.17 H new ATOM 782 N ALA A 52 12.789 -1.747 3.921 1.00 0.12 N ATOM 783 CA ALA A 52 14.010 -1.805 4.776 1.00 0.13 C ATOM 784 C ALA A 52 13.826 -0.890 5.990 1.00 0.15 C ATOM 785 O ALA A 52 13.379 0.235 5.871 1.00 0.15 O ATOM 786 CB ALA A 52 15.216 -1.324 3.965 1.00 0.11 C ATOM 0 H ALA A 52 12.352 -0.828 3.857 1.00 0.12 H new ATOM 0 HA ALA A 52 14.173 -2.830 5.110 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.111 -1.364 4.585 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.349 -1.966 3.094 1.00 0.11 H new ATOM 0 HB3 ALA A 52 15.048 -0.298 3.637 1.00 0.11 H new ATOM 792 N ASP A 53 14.168 -1.369 7.155 1.00 0.18 N ATOM 793 CA ASP A 53 14.017 -0.536 8.383 1.00 0.22 C ATOM 794 C ASP A 53 15.028 0.638 8.332 1.00 0.21 C ATOM 795 O ASP A 53 16.216 0.388 8.326 1.00 0.22 O ATOM 796 CB ASP A 53 14.328 -1.403 9.606 1.00 0.27 C ATOM 797 CG ASP A 53 13.876 -0.681 10.877 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.045 0.205 10.770 1.00 2.17 O ATOM 799 OD2 ASP A 53 14.370 -1.028 11.938 1.00 2.10 O ATOM 0 H ASP A 53 14.546 -2.303 7.310 1.00 0.18 H new ATOM 0 HA ASP A 53 13.001 -0.146 8.444 1.00 0.22 H new ATOM 0 HB2 ASP A 53 13.820 -2.364 9.522 1.00 0.27 H new ATOM 0 HB3 ASP A 53 15.397 -1.611 9.655 1.00 0.27 H new ATOM 804 N PRO A 54 14.567 1.885 8.294 1.00 0.22 N ATOM 805 CA PRO A 54 15.503 3.031 8.244 1.00 0.24 C ATOM 806 C PRO A 54 16.389 3.046 9.498 1.00 0.28 C ATOM 807 O PRO A 54 17.311 3.829 9.608 1.00 0.30 O ATOM 808 CB PRO A 54 14.601 4.285 8.188 1.00 0.27 C ATOM 809 CG PRO A 54 13.122 3.806 8.230 1.00 0.27 C ATOM 810 CD PRO A 54 13.133 2.262 8.298 1.00 0.24 C ATOM 0 HA PRO A 54 16.175 2.982 7.387 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.813 4.946 9.028 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.793 4.854 7.278 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.609 4.224 9.096 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.584 4.147 7.345 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.634 1.904 9.198 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.609 1.826 7.448 1.00 0.24 H new ATOM 818 N SER A 55 16.105 2.199 10.444 1.00 0.31 N ATOM 819 CA SER A 55 16.918 2.178 11.694 1.00 0.36 C ATOM 820 C SER A 55 18.262 1.496 11.429 1.00 0.36 C ATOM 821 O SER A 55 19.209 1.667 12.171 1.00 0.40 O ATOM 822 CB SER A 55 16.162 1.405 12.775 1.00 0.40 C ATOM 823 OG SER A 55 16.773 1.645 14.036 1.00 1.42 O ATOM 0 H SER A 55 15.345 1.519 10.408 1.00 0.31 H new ATOM 0 HA SER A 55 17.094 3.201 12.026 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.118 1.717 12.798 1.00 0.40 H new ATOM 0 HB3 SER A 55 16.172 0.339 12.550 1.00 0.40 H new ATOM 0 HG SER A 55 16.290 1.152 14.732 1.00 1.42 H new ATOM 829 N GLU A 56 18.361 0.730 10.376 1.00 0.33 N ATOM 830 CA GLU A 56 19.652 0.048 10.072 1.00 0.34 C ATOM 831 C GLU A 56 20.584 1.030 9.353 1.00 0.33 C ATOM 832 O GLU A 56 20.291 1.524 8.283 1.00 0.29 O ATOM 833 CB GLU A 56 19.391 -1.170 9.187 1.00 0.31 C ATOM 834 CG GLU A 56 18.867 -2.328 10.041 1.00 0.35 C ATOM 835 CD GLU A 56 20.014 -2.912 10.870 1.00 1.30 C ATOM 836 OE1 GLU A 56 20.933 -3.451 10.276 1.00 2.01 O ATOM 837 OE2 GLU A 56 19.952 -2.810 12.084 1.00 2.08 O ATOM 0 H GLU A 56 17.606 0.547 9.715 1.00 0.33 H new ATOM 0 HA GLU A 56 20.122 -0.282 10.998 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.666 -0.920 8.413 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.309 -1.466 8.680 1.00 0.31 H new ATOM 0 HG2 GLU A 56 18.071 -1.978 10.698 1.00 0.35 H new ATOM 0 HG3 GLU A 56 18.437 -3.099 9.402 1.00 0.35 H new ATOM 844 N SER A 57 21.699 1.323 9.957 1.00 0.37 N ATOM 845 CA SER A 57 22.668 2.282 9.356 1.00 0.38 C ATOM 846 C SER A 57 22.987 1.926 7.901 1.00 0.35 C ATOM 847 O SER A 57 23.139 2.798 7.068 1.00 0.34 O ATOM 848 CB SER A 57 23.962 2.262 10.170 1.00 0.44 C ATOM 849 OG SER A 57 24.966 2.990 9.476 1.00 1.37 O ATOM 0 H SER A 57 21.986 0.934 10.855 1.00 0.37 H new ATOM 0 HA SER A 57 22.217 3.274 9.372 1.00 0.38 H new ATOM 0 HB2 SER A 57 23.793 2.701 11.153 1.00 0.44 H new ATOM 0 HB3 SER A 57 24.288 1.234 10.331 1.00 0.44 H new ATOM 0 HG SER A 57 25.796 2.980 9.997 1.00 1.37 H new ATOM 855 N TRP A 58 23.117 0.667 7.578 1.00 0.34 N ATOM 856 CA TRP A 58 23.455 0.312 6.173 1.00 0.32 C ATOM 857 C TRP A 58 22.356 0.812 5.238 1.00 0.27 C ATOM 858 O TRP A 58 22.604 1.145 4.098 1.00 0.27 O ATOM 859 CB TRP A 58 23.670 -1.203 6.036 1.00 0.34 C ATOM 860 CG TRP A 58 22.369 -1.947 5.956 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.830 -2.668 6.965 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.459 -2.086 4.822 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.646 -3.238 6.530 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.369 -2.906 5.221 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.466 -1.583 3.501 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.325 -3.219 4.339 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.416 -1.894 2.611 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.347 -2.709 3.031 1.00 0.26 C ATOM 0 H TRP A 58 23.005 -0.120 8.217 1.00 0.34 H new ATOM 0 HA TRP A 58 24.389 0.798 5.892 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.260 -1.407 5.143 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.245 -1.567 6.888 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.255 -2.781 7.951 1.00 0.32 H new ATOM 0 HE1 TRP A 58 20.051 -3.832 7.108 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.281 -0.956 3.170 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.509 -3.848 4.664 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.432 -1.505 1.603 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.544 -2.942 2.347 1.00 0.26 H new ATOM 879 N VAL A 59 21.149 0.894 5.713 1.00 0.24 N ATOM 880 CA VAL A 59 20.054 1.397 4.844 1.00 0.20 C ATOM 881 C VAL A 59 20.309 2.869 4.550 1.00 0.22 C ATOM 882 O VAL A 59 20.202 3.318 3.427 1.00 0.21 O ATOM 883 CB VAL A 59 18.719 1.230 5.565 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.589 1.816 4.716 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.478 -0.261 5.793 1.00 0.19 C ATOM 0 H VAL A 59 20.873 0.636 6.661 1.00 0.24 H new ATOM 0 HA VAL A 59 20.022 0.836 3.910 1.00 0.20 H new ATOM 0 HB VAL A 59 18.743 1.756 6.519 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.640 1.693 5.238 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.774 2.877 4.546 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.547 1.297 3.758 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.528 -0.401 6.308 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.450 -0.776 4.833 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.284 -0.671 6.401 1.00 0.19 H new ATOM 895 N GLN A 60 20.666 3.621 5.549 1.00 0.25 N ATOM 896 CA GLN A 60 20.950 5.064 5.320 1.00 0.28 C ATOM 897 C GLN A 60 22.175 5.197 4.409 1.00 0.30 C ATOM 898 O GLN A 60 22.255 6.084 3.582 1.00 0.31 O ATOM 899 CB GLN A 60 21.231 5.749 6.659 1.00 0.33 C ATOM 900 CG GLN A 60 21.375 7.256 6.442 1.00 1.25 C ATOM 901 CD GLN A 60 21.644 7.942 7.782 1.00 1.65 C ATOM 902 OE1 GLN A 60 21.273 7.435 8.822 1.00 2.33 O ATOM 903 NE2 GLN A 60 22.279 9.081 7.803 1.00 2.14 N ATOM 0 H GLN A 60 20.774 3.302 6.512 1.00 0.25 H new ATOM 0 HA GLN A 60 20.089 5.537 4.848 1.00 0.28 H new ATOM 0 HB2 GLN A 60 20.420 5.548 7.359 1.00 0.33 H new ATOM 0 HB3 GLN A 60 22.142 5.346 7.101 1.00 0.33 H new ATOM 0 HG2 GLN A 60 22.191 7.458 5.748 1.00 1.25 H new ATOM 0 HG3 GLN A 60 20.467 7.658 5.992 1.00 1.25 H new ATOM 0 HE21 GLN A 60 22.591 9.507 6.930 1.00 2.14 H new ATOM 0 HE22 GLN A 60 22.464 9.546 8.692 1.00 2.14 H new ATOM 912 N GLU A 61 23.131 4.320 4.559 1.00 0.31 N ATOM 913 CA GLU A 61 24.357 4.387 3.710 1.00 0.33 C ATOM 914 C GLU A 61 24.002 4.115 2.246 1.00 0.31 C ATOM 915 O GLU A 61 24.370 4.859 1.360 1.00 0.32 O ATOM 916 CB GLU A 61 25.365 3.341 4.191 1.00 0.35 C ATOM 917 CG GLU A 61 26.729 3.618 3.555 1.00 0.40 C ATOM 918 CD GLU A 61 27.355 4.852 4.206 1.00 1.29 C ATOM 919 OE1 GLU A 61 26.762 5.373 5.136 1.00 2.03 O ATOM 920 OE2 GLU A 61 28.417 5.256 3.763 1.00 1.99 O ATOM 0 H GLU A 61 23.116 3.557 5.236 1.00 0.31 H new ATOM 0 HA GLU A 61 24.791 5.384 3.791 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.446 3.371 5.278 1.00 0.35 H new ATOM 0 HB3 GLU A 61 25.023 2.341 3.924 1.00 0.35 H new ATOM 0 HG2 GLU A 61 27.383 2.755 3.682 1.00 0.40 H new ATOM 0 HG3 GLU A 61 26.616 3.777 2.483 1.00 0.40 H new ATOM 927 N TYR A 62 23.294 3.052 1.985 1.00 0.28 N ATOM 928 CA TYR A 62 22.922 2.728 0.578 1.00 0.28 C ATOM 929 C TYR A 62 22.061 3.857 0.001 1.00 0.28 C ATOM 930 O TYR A 62 22.166 4.195 -1.161 1.00 0.30 O ATOM 931 CB TYR A 62 22.132 1.409 0.538 1.00 0.25 C ATOM 932 CG TYR A 62 23.074 0.216 0.566 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.044 0.091 1.583 1.00 0.29 C ATOM 934 CD2 TYR A 62 22.971 -0.779 -0.429 1.00 0.27 C ATOM 935 CE1 TYR A 62 24.903 -1.026 1.604 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.833 -1.892 -0.407 1.00 0.29 C ATOM 937 CZ TYR A 62 24.798 -2.015 0.608 1.00 0.31 C ATOM 938 OH TYR A 62 25.640 -3.108 0.630 1.00 0.34 O ATOM 0 H TYR A 62 22.956 2.392 2.686 1.00 0.28 H new ATOM 0 HA TYR A 62 23.829 2.622 -0.017 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.452 1.361 1.388 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.519 1.374 -0.363 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.128 0.851 2.345 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.230 -0.687 -1.209 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.643 -1.123 2.385 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.753 -2.652 -1.170 1.00 0.29 H new ATOM 0 HH TYR A 62 25.434 -3.695 -0.127 1.00 0.34 H new ATOM 948 N VAL A 63 21.216 4.448 0.800 1.00 0.27 N ATOM 949 CA VAL A 63 20.364 5.552 0.289 1.00 0.28 C ATOM 950 C VAL A 63 21.264 6.727 -0.067 1.00 0.32 C ATOM 951 O VAL A 63 21.070 7.397 -1.059 1.00 0.34 O ATOM 952 CB VAL A 63 19.367 5.969 1.373 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.647 7.253 0.949 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.341 4.852 1.574 1.00 0.25 C ATOM 0 H VAL A 63 21.081 4.213 1.783 1.00 0.27 H new ATOM 0 HA VAL A 63 19.811 5.228 -0.593 1.00 0.28 H new ATOM 0 HB VAL A 63 19.902 6.149 2.306 1.00 0.28 H new ATOM 0 HG11 VAL A 63 17.938 7.546 1.724 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.377 8.049 0.806 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.112 7.079 0.015 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.629 5.146 2.346 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.810 4.674 0.639 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.852 3.939 1.881 1.00 0.25 H new ATOM 964 N TYR A 64 22.250 6.974 0.741 1.00 0.34 N ATOM 965 CA TYR A 64 23.170 8.102 0.463 1.00 0.38 C ATOM 966 C TYR A 64 23.875 7.851 -0.866 1.00 0.38 C ATOM 967 O TYR A 64 24.022 8.734 -1.686 1.00 0.41 O ATOM 968 CB TYR A 64 24.207 8.195 1.585 1.00 0.41 C ATOM 969 CG TYR A 64 24.867 9.555 1.559 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.172 10.684 2.032 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.177 9.694 1.059 1.00 0.49 C ATOM 972 CE1 TYR A 64 24.785 11.952 2.007 1.00 0.52 C ATOM 973 CE2 TYR A 64 26.791 10.962 1.035 1.00 0.54 C ATOM 974 CZ TYR A 64 26.094 12.090 1.509 1.00 0.55 C ATOM 975 OH TYR A 64 26.695 13.332 1.484 1.00 0.60 O ATOM 0 H TYR A 64 22.459 6.441 1.585 1.00 0.34 H new ATOM 0 HA TYR A 64 22.610 9.036 0.410 1.00 0.38 H new ATOM 0 HB2 TYR A 64 23.728 8.031 2.550 1.00 0.41 H new ATOM 0 HB3 TYR A 64 24.958 7.414 1.465 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.168 10.578 2.415 1.00 0.48 H new ATOM 0 HD2 TYR A 64 26.710 8.829 0.694 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.251 12.818 2.370 1.00 0.52 H new ATOM 0 HE2 TYR A 64 27.796 11.069 0.653 1.00 0.54 H new ATOM 0 HH TYR A 64 27.598 13.251 1.111 1.00 0.60 H new ATOM 985 N ASP A 65 24.312 6.645 -1.079 1.00 0.36 N ATOM 986 CA ASP A 65 25.013 6.313 -2.349 1.00 0.37 C ATOM 987 C ASP A 65 24.062 6.524 -3.530 1.00 0.37 C ATOM 988 O ASP A 65 24.467 6.924 -4.604 1.00 0.40 O ATOM 989 CB ASP A 65 25.460 4.848 -2.302 1.00 0.35 C ATOM 990 CG ASP A 65 26.733 4.721 -1.461 1.00 0.39 C ATOM 991 OD1 ASP A 65 26.611 4.588 -0.255 1.00 1.15 O ATOM 992 OD2 ASP A 65 27.808 4.760 -2.037 1.00 1.11 O ATOM 0 H ASP A 65 24.214 5.869 -0.424 1.00 0.36 H new ATOM 0 HA ASP A 65 25.882 6.959 -2.471 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.669 4.230 -1.877 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.642 4.481 -3.312 1.00 0.35 H new ATOM 997 N LEU A 66 22.803 6.257 -3.338 1.00 0.33 N ATOM 998 CA LEU A 66 21.819 6.437 -4.442 1.00 0.34 C ATOM 999 C LEU A 66 21.589 7.932 -4.685 1.00 0.39 C ATOM 1000 O LEU A 66 21.311 8.357 -5.788 1.00 0.42 O ATOM 1001 CB LEU A 66 20.499 5.764 -4.042 1.00 0.31 C ATOM 1002 CG LEU A 66 20.579 4.243 -4.292 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.534 3.524 -3.434 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.298 3.926 -5.770 1.00 0.30 C ATOM 0 H LEU A 66 22.409 5.920 -2.459 1.00 0.33 H new ATOM 0 HA LEU A 66 22.199 5.984 -5.358 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.288 5.956 -2.990 1.00 0.31 H new ATOM 0 HB3 LEU A 66 19.676 6.191 -4.615 1.00 0.31 H new ATOM 0 HG LEU A 66 21.582 3.904 -4.031 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.593 2.450 -3.613 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.726 3.728 -2.380 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.539 3.882 -3.697 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.358 2.849 -5.929 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.300 4.276 -6.034 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.036 4.427 -6.396 1.00 0.30 H new ATOM 1016 N GLU A 67 21.708 8.732 -3.664 1.00 0.40 N ATOM 1017 CA GLU A 67 21.502 10.199 -3.834 1.00 0.45 C ATOM 1018 C GLU A 67 22.688 10.786 -4.595 1.00 0.50 C ATOM 1019 O GLU A 67 22.571 11.783 -5.280 1.00 0.55 O ATOM 1020 CB GLU A 67 21.406 10.861 -2.461 1.00 0.46 C ATOM 1021 CG GLU A 67 20.076 10.493 -1.814 1.00 0.44 C ATOM 1022 CD GLU A 67 19.907 11.268 -0.507 1.00 1.13 C ATOM 1023 OE1 GLU A 67 20.799 11.194 0.322 1.00 1.81 O ATOM 1024 OE2 GLU A 67 18.888 11.923 -0.356 1.00 1.88 O ATOM 0 H GLU A 67 21.940 8.434 -2.716 1.00 0.40 H new ATOM 0 HA GLU A 67 20.582 10.378 -4.390 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.233 10.536 -1.829 1.00 0.46 H new ATOM 0 HB3 GLU A 67 21.488 11.943 -2.560 1.00 0.46 H new ATOM 0 HG2 GLU A 67 19.255 10.722 -2.493 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.039 9.421 -1.620 1.00 0.44 H new ATOM 1116 N SER B 5 10.742 -9.588 -3.476 1.00 0.44 N ATOM 1117 CA SER B 5 11.345 -9.939 -2.154 1.00 0.30 C ATOM 1118 C SER B 5 10.392 -9.520 -1.021 1.00 0.27 C ATOM 1119 O SER B 5 9.858 -10.351 -0.313 1.00 0.30 O ATOM 1120 CB SER B 5 12.709 -9.244 -2.015 1.00 0.49 C ATOM 1121 OG SER B 5 13.710 -10.230 -1.796 1.00 1.52 O ATOM 0 HA SER B 5 11.497 -11.016 -2.089 1.00 0.30 H new ATOM 0 HB2 SER B 5 12.934 -8.672 -2.915 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.689 -8.537 -1.186 1.00 0.49 H new ATOM 0 HG SER B 5 14.584 -9.795 -1.708 1.00 1.52 H new ATOM 1127 N ASP B 6 10.168 -8.243 -0.846 1.00 0.24 N ATOM 1128 CA ASP B 6 9.243 -7.792 0.243 1.00 0.23 C ATOM 1129 C ASP B 6 8.712 -6.385 -0.076 1.00 0.21 C ATOM 1130 O ASP B 6 9.044 -5.439 0.609 1.00 0.20 O ATOM 1131 CB ASP B 6 9.995 -7.757 1.584 1.00 0.25 C ATOM 1132 CG ASP B 6 8.990 -7.769 2.739 1.00 1.26 C ATOM 1133 OD1 ASP B 6 8.445 -8.825 3.014 1.00 2.03 O ATOM 1134 OD2 ASP B 6 8.782 -6.720 3.326 1.00 2.00 O ATOM 0 H ASP B 6 10.581 -7.496 -1.404 1.00 0.24 H new ATOM 0 HA ASP B 6 8.409 -8.490 0.311 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.662 -8.616 1.661 1.00 0.25 H new ATOM 0 HB3 ASP B 6 10.617 -6.864 1.640 1.00 0.25 H new ATOM 1139 N PRO B 7 7.900 -6.277 -1.106 1.00 0.22 N ATOM 1140 CA PRO B 7 7.334 -4.973 -1.499 1.00 0.22 C ATOM 1141 C PRO B 7 6.425 -4.441 -0.369 1.00 0.20 C ATOM 1142 O PRO B 7 6.122 -5.168 0.557 1.00 0.20 O ATOM 1143 CB PRO B 7 6.528 -5.263 -2.789 1.00 0.25 C ATOM 1144 CG PRO B 7 6.639 -6.789 -3.080 1.00 0.27 C ATOM 1145 CD PRO B 7 7.489 -7.418 -1.952 1.00 0.26 C ATOM 0 HA PRO B 7 8.094 -4.211 -1.672 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.485 -4.972 -2.663 1.00 0.25 H new ATOM 0 HB3 PRO B 7 6.921 -4.684 -3.625 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.650 -7.245 -3.114 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.103 -6.961 -4.051 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.912 -8.146 -1.381 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.355 -7.943 -2.355 1.00 0.26 H new ATOM 1153 N PRO B 8 6.011 -3.194 -0.472 1.00 0.21 N ATOM 1154 CA PRO B 8 5.134 -2.584 0.549 1.00 0.22 C ATOM 1155 C PRO B 8 3.788 -3.326 0.591 1.00 0.22 C ATOM 1156 O PRO B 8 3.677 -4.458 0.164 1.00 0.22 O ATOM 1157 CB PRO B 8 4.951 -1.116 0.090 1.00 0.24 C ATOM 1158 CG PRO B 8 5.629 -0.977 -1.303 1.00 0.26 C ATOM 1159 CD PRO B 8 6.376 -2.298 -1.591 1.00 0.24 C ATOM 0 HA PRO B 8 5.553 -2.639 1.554 1.00 0.22 H new ATOM 0 HB2 PRO B 8 3.893 -0.862 0.029 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.403 -0.430 0.807 1.00 0.24 H new ATOM 0 HG2 PRO B 8 4.884 -0.782 -2.074 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.322 -0.136 -1.310 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.075 -2.721 -2.550 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.454 -2.141 -1.636 1.00 0.24 H new ATOM 1167 N THR B 9 2.765 -2.688 1.100 1.00 0.23 N ATOM 1168 CA THR B 9 1.428 -3.345 1.170 1.00 0.24 C ATOM 1169 C THR B 9 0.337 -2.276 1.153 1.00 0.24 C ATOM 1170 O THR B 9 0.315 -1.379 1.973 1.00 0.25 O ATOM 1171 CB THR B 9 1.324 -4.158 2.459 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.479 -4.974 2.596 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.074 -5.041 2.412 1.00 0.29 C ATOM 0 H THR B 9 2.800 -1.738 1.471 1.00 0.23 H new ATOM 0 HA THR B 9 1.304 -4.008 0.314 1.00 0.24 H new ATOM 0 HB THR B 9 1.253 -3.481 3.310 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.499 -5.365 3.494 1.00 0.26 H new ATOM 0 HG21 THR B 9 0.003 -5.620 3.333 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.811 -4.413 2.308 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.139 -5.719 1.561 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.568 -2.368 0.223 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.661 -1.363 0.140 1.00 0.23 C ATOM 1183 C ALA B 10 -2.596 -1.518 1.341 1.00 0.22 C ATOM 1184 O ALA B 10 -3.647 -2.120 1.245 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.448 -1.588 -1.151 1.00 0.23 C ATOM 0 H ALA B 10 -0.598 -3.100 -0.487 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.236 -0.359 0.144 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.252 -0.855 -1.220 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.782 -1.478 -2.007 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.872 -2.592 -1.148 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.223 -0.967 2.469 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.085 -1.063 3.689 1.00 0.25 C ATOM 1193 C CYS B 11 -3.686 0.315 3.974 1.00 0.25 C ATOM 1194 O CYS B 11 -3.015 1.324 3.882 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.230 -1.504 4.882 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.321 -3.010 4.450 1.00 0.34 S ATOM 0 H CYS B 11 -1.353 -0.451 2.599 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.881 -1.790 3.528 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.533 -0.712 5.156 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.864 -1.685 5.750 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.946 0.369 4.306 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.584 1.685 4.583 1.00 0.24 C ATOM 1203 C CYS B 12 -5.106 2.214 5.936 1.00 0.24 C ATOM 1204 O CYS B 12 -4.902 1.463 6.871 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.106 1.522 4.611 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.694 1.051 2.966 1.00 0.24 S ATOM 0 H CYS B 12 -5.560 -0.440 4.397 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.307 2.390 3.799 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.388 0.763 5.340 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.576 2.454 4.924 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.935 3.506 6.047 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.478 4.112 7.336 1.00 0.27 C ATOM 1213 C PHE B 13 -5.677 4.783 8.012 1.00 0.24 C ATOM 1214 O PHE B 13 -5.663 5.072 9.192 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.398 5.159 7.049 1.00 0.30 C ATOM 1216 CG PHE B 13 -4.007 6.305 6.280 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.277 6.163 4.906 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.316 7.511 6.938 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.855 7.228 4.190 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.896 8.575 6.223 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.165 8.434 4.848 1.00 0.37 C ATOM 0 H PHE B 13 -5.094 4.174 5.293 1.00 0.25 H new ATOM 0 HA PHE B 13 -4.066 3.342 7.989 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.968 5.520 7.983 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.585 4.712 6.476 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -4.041 5.238 4.402 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.108 7.619 7.992 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -5.061 7.120 3.135 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.135 9.499 6.728 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.609 9.251 4.298 1.00 0.37 H new ATOM 1231 N SER B 14 -6.714 5.032 7.258 1.00 0.21 N ATOM 1232 CA SER B 14 -7.927 5.682 7.827 1.00 0.20 C ATOM 1233 C SER B 14 -9.133 5.332 6.953 1.00 0.18 C ATOM 1234 O SER B 14 -9.151 4.314 6.291 1.00 0.17 O ATOM 1235 CB SER B 14 -7.732 7.199 7.850 1.00 0.20 C ATOM 1236 OG SER B 14 -7.700 7.688 6.516 1.00 0.25 O ATOM 0 H SER B 14 -6.772 4.810 6.264 1.00 0.21 H new ATOM 0 HA SER B 14 -8.094 5.328 8.844 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.542 7.673 8.404 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.804 7.450 8.364 1.00 0.20 H new ATOM 0 HG SER B 14 -6.777 7.683 6.188 1.00 0.25 H new ATOM 1242 N TYR B 15 -10.143 6.161 6.942 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.344 5.861 6.105 1.00 0.20 C ATOM 1244 C TYR B 15 -12.066 7.162 5.753 1.00 0.24 C ATOM 1245 O TYR B 15 -11.855 8.187 6.370 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.300 4.948 6.886 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.511 3.909 7.643 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -11.138 2.707 7.012 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -11.146 4.141 8.984 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.402 1.739 7.720 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.409 3.172 9.692 1.00 0.28 C ATOM 1252 CZ TYR B 15 -10.036 1.972 9.059 1.00 0.27 C ATOM 1253 OH TYR B 15 -9.315 1.022 9.752 1.00 0.32 O ATOM 0 H TYR B 15 -10.190 7.030 7.474 1.00 0.19 H new ATOM 0 HA TYR B 15 -11.026 5.362 5.190 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.898 5.540 7.579 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.995 4.462 6.201 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.417 2.528 5.984 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.432 5.063 9.469 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -10.118 0.817 7.236 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -10.130 3.350 10.720 1.00 0.28 H new ATOM 0 HH TYR B 15 -9.144 1.341 10.663 1.00 0.32 H new ATOM 1263 N THR B 16 -12.924 7.125 4.770 1.00 0.22 N ATOM 1264 CA THR B 16 -13.665 8.361 4.392 1.00 0.28 C ATOM 1265 C THR B 16 -14.477 8.832 5.602 1.00 0.32 C ATOM 1266 O THR B 16 -14.172 8.488 6.728 1.00 0.38 O ATOM 1267 CB THR B 16 -14.580 8.069 3.192 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.394 9.201 2.923 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.465 6.859 3.486 1.00 0.27 C ATOM 0 H THR B 16 -13.143 6.297 4.215 1.00 0.22 H new ATOM 0 HA THR B 16 -12.970 9.149 4.101 1.00 0.28 H new ATOM 0 HB THR B 16 -13.961 7.852 2.321 1.00 0.28 H new ATOM 0 HG1 THR B 16 -15.975 9.012 2.156 1.00 0.39 H new ATOM 0 HG21 THR B 16 -16.109 6.662 2.629 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.838 5.988 3.677 1.00 0.27 H new ATOM 0 HG23 THR B 16 -16.080 7.063 4.362 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.501 9.620 5.396 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.315 10.112 6.550 1.00 0.42 C ATOM 1279 C ALA B 17 -17.786 10.178 6.142 1.00 0.45 C ATOM 1280 O ALA B 17 -18.624 10.658 6.879 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.835 11.510 6.942 1.00 0.50 C ATOM 0 H ALA B 17 -15.809 9.944 4.479 1.00 0.36 H new ATOM 0 HA ALA B 17 -16.202 9.433 7.395 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.425 11.875 7.783 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.784 11.467 7.227 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.954 12.186 6.095 1.00 0.50 H new ATOM 1287 N ARG B 18 -18.105 9.694 4.972 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.522 9.719 4.503 1.00 0.48 C ATOM 1289 C ARG B 18 -19.809 8.443 3.710 1.00 0.41 C ATOM 1290 O ARG B 18 -19.026 8.032 2.877 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.734 10.939 3.602 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.889 12.194 4.463 1.00 0.70 C ATOM 1293 CD ARG B 18 -19.811 13.433 3.574 1.00 1.15 C ATOM 1294 NE ARG B 18 -20.313 14.618 4.324 1.00 1.96 N ATOM 1295 CZ ARG B 18 -20.069 15.821 3.882 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -19.385 15.985 2.782 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -20.508 16.859 4.539 1.00 3.63 N ATOM 0 H ARG B 18 -17.442 9.280 4.317 1.00 0.47 H new ATOM 0 HA ARG B 18 -20.195 9.778 5.359 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.889 11.054 2.924 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.621 10.798 2.985 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -20.843 12.171 4.990 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -19.106 12.227 5.221 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -18.782 13.600 3.256 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -20.404 13.283 2.671 1.00 1.15 H new ATOM 0 HE ARG B 18 -20.847 14.489 5.183 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -19.042 15.173 2.269 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -19.194 16.925 2.436 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -21.042 16.730 5.398 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -20.317 17.799 4.193 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.925 7.817 3.954 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.253 6.575 3.203 1.00 0.35 C ATOM 1313 C LYS B 19 -21.410 6.928 1.721 1.00 0.31 C ATOM 1314 O LYS B 19 -22.073 7.881 1.364 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.556 5.973 3.756 1.00 0.38 C ATOM 1316 CG LYS B 19 -23.183 5.017 2.731 1.00 0.40 C ATOM 1317 CD LYS B 19 -24.245 4.155 3.414 1.00 0.62 C ATOM 1318 CE LYS B 19 -25.361 5.040 3.974 1.00 0.97 C ATOM 1319 NZ LYS B 19 -25.731 6.081 2.972 1.00 1.79 N ATOM 0 H LYS B 19 -21.622 8.110 4.638 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.457 5.839 3.316 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.352 5.438 4.684 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.259 6.771 3.996 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.631 5.585 1.916 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.413 4.383 2.292 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -24.659 3.442 2.701 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -23.792 3.575 4.218 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -26.232 4.432 4.219 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -25.033 5.513 4.899 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -26.698 6.415 3.159 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -25.069 6.880 3.041 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -25.684 5.675 2.016 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.797 6.169 0.857 1.00 0.27 N ATOM 1334 CA LEU B 20 -20.901 6.460 -0.598 1.00 0.27 C ATOM 1335 C LEU B 20 -22.302 6.051 -1.109 1.00 0.27 C ATOM 1336 O LEU B 20 -22.708 4.928 -0.875 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.856 5.630 -1.346 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.496 5.745 -0.656 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.437 5.073 -1.530 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.130 7.221 -0.458 1.00 0.27 C ATOM 0 H LEU B 20 -20.227 5.358 1.097 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.739 7.525 -0.767 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.167 4.586 -1.380 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.779 5.974 -2.378 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.542 5.257 0.318 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.463 5.150 -1.046 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.692 4.022 -1.667 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.400 5.567 -2.501 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.160 7.292 0.034 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.083 7.717 -1.427 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -18.887 7.704 0.160 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.011 6.927 -1.807 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.338 6.561 -2.335 1.00 0.34 C ATOM 1354 C PRO B 21 -24.216 5.304 -3.199 1.00 0.30 C ATOM 1355 O PRO B 21 -23.247 5.124 -3.907 1.00 0.29 O ATOM 1356 CB PRO B 21 -24.781 7.772 -3.188 1.00 0.39 C ATOM 1357 CG PRO B 21 -23.737 8.902 -2.965 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.584 8.311 -2.124 1.00 0.35 C ATOM 0 HA PRO B 21 -25.059 6.343 -1.547 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -24.834 7.500 -4.242 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -25.776 8.105 -2.894 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -23.364 9.273 -3.920 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.192 9.748 -2.450 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -21.646 8.317 -2.680 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.420 8.891 -1.216 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.194 4.445 -3.165 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.124 3.223 -4.010 1.00 0.30 C ATOM 1368 C ARG B 22 -24.805 3.648 -5.445 1.00 0.31 C ATOM 1369 O ARG B 22 -24.110 2.966 -6.172 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.472 2.492 -3.967 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.477 1.320 -4.959 1.00 0.69 C ATOM 1372 CD ARG B 22 -25.272 0.406 -4.707 1.00 1.24 C ATOM 1373 NE ARG B 22 -25.549 -0.946 -5.267 1.00 1.34 N ATOM 1374 CZ ARG B 22 -24.572 -1.794 -5.436 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -23.352 -1.456 -5.117 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -24.812 -2.980 -5.924 1.00 2.44 N ATOM 0 H ARG B 22 -26.034 4.535 -2.593 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.350 2.551 -3.641 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.661 2.124 -2.959 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.277 3.186 -4.210 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -27.401 0.751 -4.856 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -26.448 1.699 -5.981 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -24.379 0.827 -5.170 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -25.073 0.335 -3.638 1.00 1.24 H new ATOM 0 HE ARG B 22 -26.502 -1.209 -5.518 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -23.163 -0.529 -4.736 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -22.588 -2.119 -5.249 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -25.765 -3.245 -6.174 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -24.047 -3.642 -6.056 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.310 4.785 -5.851 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.040 5.276 -7.232 1.00 0.37 C ATOM 1392 C ASN B 23 -23.602 5.794 -7.325 1.00 0.37 C ATOM 1393 O ASN B 23 -23.257 6.530 -8.228 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.015 6.407 -7.572 1.00 0.42 C ATOM 1395 CG ASN B 23 -25.729 7.616 -6.679 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -24.664 8.196 -6.745 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -26.643 8.023 -5.841 1.00 2.38 N ATOM 0 H ASN B 23 -25.899 5.394 -5.283 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.173 4.456 -7.938 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -25.914 6.685 -8.621 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -27.042 6.071 -7.429 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -26.463 8.828 -5.241 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -27.537 7.536 -5.786 1.00 2.38 H new ATOM 1404 N PHE B 24 -22.761 5.424 -6.391 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.342 5.903 -6.415 1.00 0.33 C ATOM 1406 C PHE B 24 -20.422 4.745 -6.013 1.00 0.30 C ATOM 1407 O PHE B 24 -19.353 4.943 -5.472 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.196 7.068 -5.418 1.00 0.33 C ATOM 1409 CG PHE B 24 -19.988 7.923 -5.760 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -19.913 8.578 -7.008 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -18.943 8.078 -4.824 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -18.798 9.379 -7.317 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -17.829 8.881 -5.137 1.00 0.37 C ATOM 1414 CZ PHE B 24 -17.757 9.531 -6.382 1.00 0.41 C ATOM 0 H PHE B 24 -22.995 4.810 -5.611 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.070 6.247 -7.413 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.097 7.681 -5.434 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.095 6.676 -4.406 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -20.712 8.464 -7.726 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -18.998 7.580 -3.867 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -18.741 9.878 -8.273 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.029 8.998 -4.420 1.00 0.37 H new ATOM 0 HZ PHE B 24 -16.903 10.147 -6.621 1.00 0.41 H new ATOM 1424 N VAL B 25 -20.837 3.533 -6.284 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.004 2.344 -5.935 1.00 0.28 C ATOM 1426 C VAL B 25 -20.282 1.232 -6.949 1.00 0.30 C ATOM 1427 O VAL B 25 -21.157 0.411 -6.759 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.372 1.846 -4.537 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.435 0.705 -4.137 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.233 2.986 -3.528 1.00 0.23 C ATOM 0 H VAL B 25 -21.725 3.316 -6.736 1.00 0.30 H new ATOM 0 HA VAL B 25 -18.950 2.619 -5.954 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.402 1.491 -4.545 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.698 0.351 -3.140 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.533 -0.113 -4.851 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.406 1.063 -4.135 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.496 2.626 -2.534 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.204 3.344 -3.523 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -20.900 3.802 -3.807 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.550 1.203 -8.031 1.00 0.33 N ATOM 1441 CA VAL B 26 -19.776 0.152 -9.060 1.00 0.36 C ATOM 1442 C VAL B 26 -18.980 -1.100 -8.707 1.00 0.35 C ATOM 1443 O VAL B 26 -19.155 -2.146 -9.301 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.321 0.677 -10.422 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.195 1.863 -10.826 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -17.859 1.124 -10.338 1.00 0.61 C ATOM 0 H VAL B 26 -18.804 1.865 -8.245 1.00 0.33 H new ATOM 0 HA VAL B 26 -20.836 -0.098 -9.095 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.414 -0.114 -11.166 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -19.872 2.239 -11.797 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.235 1.544 -10.888 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.102 2.654 -10.082 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -17.536 1.498 -11.310 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -17.763 1.915 -9.595 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.236 0.278 -10.050 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.103 -1.010 -7.747 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.304 -2.209 -7.372 1.00 0.31 C ATOM 1458 C ASP B 27 -16.540 -1.925 -6.085 1.00 0.27 C ATOM 1459 O ASP B 27 -16.723 -0.903 -5.455 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.314 -2.529 -8.495 1.00 0.34 C ATOM 1461 CG ASP B 27 -15.745 -3.934 -8.290 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.497 -4.884 -8.438 1.00 1.13 O ATOM 1463 OD2 ASP B 27 -14.567 -4.037 -7.988 1.00 1.09 O ATOM 0 H ASP B 27 -17.906 -0.166 -7.210 1.00 0.32 H new ATOM 0 HA ASP B 27 -17.968 -3.059 -7.219 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -16.812 -2.465 -9.462 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.507 -1.796 -8.503 1.00 0.34 H new ATOM 1468 N TYR B 28 -15.678 -2.819 -5.688 1.00 0.26 N ATOM 1469 CA TYR B 28 -14.902 -2.594 -4.441 1.00 0.23 C ATOM 1470 C TYR B 28 -13.607 -3.400 -4.483 1.00 0.25 C ATOM 1471 O TYR B 28 -13.282 -4.036 -5.464 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.737 -2.997 -3.218 1.00 0.19 C ATOM 1473 CG TYR B 28 -15.835 -4.507 -3.106 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.479 -5.252 -4.114 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.292 -5.168 -1.985 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.578 -6.652 -4.002 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.392 -6.565 -1.870 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.034 -7.310 -2.879 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.132 -8.682 -2.769 1.00 0.28 O ATOM 0 H TYR B 28 -15.479 -3.694 -6.173 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.657 -1.535 -4.362 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.286 -2.589 -2.314 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.736 -2.568 -3.297 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -16.897 -4.749 -4.973 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.797 -4.599 -1.212 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.070 -7.222 -4.776 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -14.977 -7.067 -1.009 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.705 -8.975 -1.937 1.00 0.28 H new ATOM 1489 N TYR B 29 -12.865 -3.353 -3.421 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.576 -4.084 -3.366 1.00 0.25 C ATOM 1491 C TYR B 29 -11.170 -4.230 -1.896 1.00 0.22 C ATOM 1492 O TYR B 29 -11.313 -3.312 -1.119 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.532 -3.273 -4.153 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.129 -3.675 -3.760 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.610 -4.912 -4.181 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.343 -2.809 -2.976 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.303 -5.287 -3.815 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.037 -3.181 -2.610 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.515 -4.421 -3.029 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.234 -4.788 -2.672 1.00 0.39 O ATOM 0 H TYR B 29 -13.099 -2.832 -2.576 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.656 -5.077 -3.807 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -10.674 -3.431 -5.222 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.676 -2.209 -3.966 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.213 -5.574 -4.785 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.743 -1.858 -2.655 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -6.904 -6.238 -4.136 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.435 -2.517 -2.008 1.00 0.38 H new ATOM 0 HH TYR B 29 -4.829 -4.078 -2.132 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.671 -5.372 -1.501 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.263 -5.557 -0.072 1.00 0.20 C ATOM 1512 C GLU B 30 -8.760 -5.291 0.062 1.00 0.21 C ATOM 1513 O GLU B 30 -8.012 -5.393 -0.888 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.576 -6.991 0.366 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.071 -7.120 0.678 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.453 -8.600 0.752 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -12.273 -9.287 -0.239 1.00 1.43 O ATOM 1518 OE2 GLU B 30 -12.918 -9.020 1.798 1.00 1.35 O ATOM 0 H GLU B 30 -10.528 -6.184 -2.102 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.813 -4.860 0.561 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.297 -7.691 -0.421 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -9.987 -7.250 1.246 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.300 -6.627 1.623 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.658 -6.620 -0.092 1.00 0.25 H new ATOM 1525 N THR B 31 -8.320 -4.942 1.240 1.00 0.19 N ATOM 1526 CA THR B 31 -6.869 -4.656 1.449 1.00 0.21 C ATOM 1527 C THR B 31 -6.063 -5.952 1.433 1.00 0.25 C ATOM 1528 O THR B 31 -6.541 -6.996 1.033 1.00 0.27 O ATOM 1529 CB THR B 31 -6.686 -3.979 2.805 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.377 -4.729 3.787 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.242 -2.557 2.740 1.00 0.20 C ATOM 0 H THR B 31 -8.904 -4.842 2.070 1.00 0.19 H new ATOM 0 HA THR B 31 -6.517 -4.007 0.647 1.00 0.21 H new ATOM 0 HB THR B 31 -5.628 -3.932 3.063 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.434 -5.665 3.503 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.113 -2.071 3.707 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.708 -1.992 1.976 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.303 -2.592 2.491 1.00 0.20 H new ATOM 1539 N SER B 32 -4.835 -5.886 1.874 1.00 0.27 N ATOM 1540 CA SER B 32 -3.973 -7.098 1.902 1.00 0.31 C ATOM 1541 C SER B 32 -4.213 -7.864 3.202 1.00 0.33 C ATOM 1542 O SER B 32 -5.311 -7.913 3.718 1.00 0.33 O ATOM 1543 CB SER B 32 -2.507 -6.674 1.831 1.00 0.33 C ATOM 1544 OG SER B 32 -1.702 -7.810 1.548 1.00 1.27 O ATOM 0 H SER B 32 -4.390 -5.035 2.219 1.00 0.27 H new ATOM 0 HA SER B 32 -4.214 -7.737 1.053 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.373 -5.917 1.058 1.00 0.33 H new ATOM 0 HB3 SER B 32 -2.201 -6.223 2.775 1.00 0.33 H new ATOM 0 HG SER B 32 -0.997 -7.562 0.914 1.00 1.27 H new ATOM 1550 N SER B 33 -3.183 -8.462 3.732 1.00 0.36 N ATOM 1551 CA SER B 33 -3.318 -9.235 5.004 1.00 0.40 C ATOM 1552 C SER B 33 -2.071 -9.004 5.851 1.00 0.40 C ATOM 1553 O SER B 33 -2.131 -8.923 7.062 1.00 0.42 O ATOM 1554 CB SER B 33 -3.428 -10.720 4.678 1.00 0.46 C ATOM 1555 OG SER B 33 -2.128 -11.247 4.446 1.00 0.48 O ATOM 0 H SER B 33 -2.243 -8.450 3.336 1.00 0.36 H new ATOM 0 HA SER B 33 -4.206 -8.910 5.546 1.00 0.40 H new ATOM 0 HB2 SER B 33 -3.907 -11.250 5.501 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.054 -10.866 3.798 1.00 0.46 H new ATOM 0 HG SER B 33 -2.195 -12.202 4.238 1.00 0.48 H new ATOM 1561 N LEU B 34 -0.941 -8.905 5.205 1.00 0.39 N ATOM 1562 CA LEU B 34 0.348 -8.681 5.928 1.00 0.39 C ATOM 1563 C LEU B 34 0.146 -7.693 7.077 1.00 0.37 C ATOM 1564 O LEU B 34 0.430 -7.986 8.221 1.00 0.40 O ATOM 1565 CB LEU B 34 1.381 -8.105 4.955 1.00 0.36 C ATOM 1566 CG LEU B 34 1.310 -8.841 3.614 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.463 -8.380 2.719 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.411 -10.352 3.852 1.00 0.45 C ATOM 0 H LEU B 34 -0.853 -8.971 4.191 1.00 0.39 H new ATOM 0 HA LEU B 34 0.697 -9.633 6.329 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.197 -7.041 4.805 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.381 -8.199 5.377 1.00 0.36 H new ATOM 0 HG LEU B 34 0.362 -8.618 3.125 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.414 -8.903 1.764 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.385 -7.306 2.549 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.413 -8.602 3.206 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.360 -10.875 2.897 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.358 -10.581 4.341 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.587 -10.676 4.487 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.343 -6.525 6.777 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.561 -5.517 7.849 1.00 0.34 C ATOM 1582 C CYS B 35 -1.721 -5.976 8.741 1.00 0.39 C ATOM 1583 O CYS B 35 -2.779 -6.331 8.268 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.883 -4.158 7.217 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.964 -4.388 5.783 1.00 0.40 S ATOM 0 H CYS B 35 -0.601 -6.224 5.837 1.00 0.33 H new ATOM 0 HA CYS B 35 0.340 -5.418 8.455 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.368 -3.512 7.949 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.038 -3.661 6.913 1.00 0.32 H new ATOM 1590 N SER B 36 -1.515 -5.997 10.027 1.00 0.44 N ATOM 1591 CA SER B 36 -2.587 -6.450 10.963 1.00 0.51 C ATOM 1592 C SER B 36 -3.782 -5.482 10.960 1.00 0.51 C ATOM 1593 O SER B 36 -4.440 -5.318 11.969 1.00 0.58 O ATOM 1594 CB SER B 36 -2.015 -6.536 12.378 1.00 0.59 C ATOM 1595 OG SER B 36 -2.936 -7.220 13.217 1.00 1.41 O ATOM 0 H SER B 36 -0.643 -5.718 10.476 1.00 0.44 H new ATOM 0 HA SER B 36 -2.938 -7.427 10.632 1.00 0.51 H new ATOM 0 HB2 SER B 36 -1.059 -7.060 12.365 1.00 0.59 H new ATOM 0 HB3 SER B 36 -1.825 -5.536 12.767 1.00 0.59 H new ATOM 0 HG SER B 36 -3.817 -6.795 13.151 1.00 1.41 H new ATOM 1601 N GLN B 37 -4.084 -4.835 9.862 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.248 -3.893 9.867 1.00 0.47 C ATOM 1603 C GLN B 37 -5.823 -3.724 8.452 1.00 0.36 C ATOM 1604 O GLN B 37 -5.738 -2.652 7.889 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.793 -2.528 10.397 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.469 -2.126 9.737 1.00 0.78 C ATOM 1607 CD GLN B 37 -3.021 -0.767 10.278 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -2.709 -0.637 11.445 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -2.977 0.259 9.473 1.00 1.48 N ATOM 0 H GLN B 37 -3.585 -4.915 8.976 1.00 0.45 H new ATOM 0 HA GLN B 37 -6.026 -4.305 10.510 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.555 -1.776 10.191 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.671 -2.571 11.479 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.707 -2.879 9.938 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.590 -2.077 8.655 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -3.239 0.150 8.493 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -2.681 1.170 9.824 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.412 -4.773 7.920 1.00 0.34 N ATOM 1619 CA PRO B 38 -7.023 -4.720 6.578 1.00 0.26 C ATOM 1620 C PRO B 38 -8.294 -3.858 6.634 1.00 0.25 C ATOM 1621 O PRO B 38 -8.682 -3.368 7.675 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.363 -6.191 6.242 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.135 -7.027 7.537 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.510 -6.088 8.592 1.00 0.43 C ATOM 0 HA PRO B 38 -6.369 -4.280 5.825 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.396 -6.279 5.905 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.731 -6.556 5.433 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -8.078 -7.437 7.899 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.476 -7.872 7.337 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -7.131 -6.030 9.486 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.529 -6.445 8.907 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.939 -3.685 5.519 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.183 -2.878 5.477 1.00 0.22 C ATOM 1634 C ALA B 39 -10.845 -3.103 4.122 1.00 0.19 C ATOM 1635 O ALA B 39 -10.251 -3.670 3.227 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.841 -1.395 5.639 1.00 0.23 C ATOM 0 H ALA B 39 -8.652 -4.075 4.621 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.854 -3.174 6.283 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.757 -0.805 5.608 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.341 -1.239 6.595 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.181 -1.083 4.830 1.00 0.23 H new ATOM 1642 N VAL B 40 -12.056 -2.647 3.946 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.730 -2.822 2.624 1.00 0.13 C ATOM 1644 C VAL B 40 -12.546 -1.527 1.843 1.00 0.13 C ATOM 1645 O VAL B 40 -12.566 -0.449 2.405 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.224 -3.107 2.829 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -14.982 -2.887 1.515 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.400 -4.561 3.264 1.00 0.16 C ATOM 0 H VAL B 40 -12.607 -2.163 4.655 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.298 -3.662 2.080 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.617 -2.435 3.592 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.042 -3.091 1.668 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.854 -1.854 1.190 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.590 -3.559 0.752 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.459 -4.771 3.412 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -14.003 -5.222 2.493 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.863 -4.729 4.198 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.352 -1.627 0.556 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.145 -0.405 -0.283 1.00 0.16 C ATOM 1660 C VAL B 41 -13.237 -0.319 -1.353 1.00 0.16 C ATOM 1661 O VAL B 41 -13.385 -1.197 -2.173 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.764 -0.483 -0.947 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.330 0.910 -1.396 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.743 -1.019 0.061 1.00 0.23 C ATOM 0 H VAL B 41 -12.327 -2.508 0.043 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.198 0.485 0.344 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.819 -1.147 -1.810 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.349 0.851 -1.867 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.053 1.304 -2.111 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.278 1.571 -0.531 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.762 -1.075 -0.410 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.695 -0.351 0.921 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.044 -2.013 0.390 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.014 0.732 -1.347 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.106 0.863 -2.362 1.00 0.17 C ATOM 1676 C PHE B 42 -14.588 1.597 -3.601 1.00 0.21 C ATOM 1677 O PHE B 42 -13.914 2.604 -3.507 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.270 1.663 -1.765 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.052 0.803 -0.797 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.746 -0.331 -1.264 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.098 1.142 0.571 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.483 -1.125 -0.366 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.837 0.347 1.468 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.529 -0.787 1.000 1.00 0.14 C ATOM 0 H PHE B 42 -13.942 1.505 -0.685 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.443 -0.135 -2.644 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -15.889 2.546 -1.252 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -16.925 2.015 -2.562 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.712 -0.591 -2.312 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.567 2.011 0.931 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -19.014 -1.994 -0.725 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.873 0.607 2.516 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.095 -1.397 1.689 1.00 0.14 H new ATOM 1694 N GLN B 43 -14.929 1.110 -4.766 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.499 1.777 -6.032 1.00 0.28 C ATOM 1696 C GLN B 43 -15.681 2.609 -6.536 1.00 0.30 C ATOM 1697 O GLN B 43 -16.767 2.088 -6.729 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.125 0.703 -7.056 1.00 0.32 C ATOM 1699 CG GLN B 43 -12.876 -0.042 -6.580 1.00 0.32 C ATOM 1700 CD GLN B 43 -12.636 -1.260 -7.473 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -12.571 -2.375 -6.995 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -12.501 -1.094 -8.760 1.00 1.31 N ATOM 0 H GLN B 43 -15.493 0.270 -4.896 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.633 2.419 -5.872 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -14.952 0.004 -7.184 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -13.940 1.160 -8.028 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.011 0.620 -6.611 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.000 -0.357 -5.544 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -12.555 -0.158 -9.162 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -12.341 -1.900 -9.364 1.00 1.31 H new ATOM 1711 N THR B 44 -15.509 3.905 -6.712 1.00 0.32 N ATOM 1712 CA THR B 44 -16.670 4.756 -7.151 1.00 0.34 C ATOM 1713 C THR B 44 -16.649 5.014 -8.656 1.00 0.39 C ATOM 1714 O THR B 44 -16.030 4.302 -9.422 1.00 0.41 O ATOM 1715 CB THR B 44 -16.613 6.099 -6.429 1.00 0.34 C ATOM 1716 OG1 THR B 44 -15.700 6.950 -7.100 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.151 5.884 -4.985 1.00 0.29 C ATOM 0 H THR B 44 -14.630 4.403 -6.573 1.00 0.32 H new ATOM 0 HA THR B 44 -17.585 4.218 -6.905 1.00 0.34 H new ATOM 0 HB THR B 44 -17.602 6.556 -6.425 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.008 7.878 -7.033 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.110 6.843 -4.469 1.00 0.29 H new ATOM 0 HG22 THR B 44 -16.853 5.226 -4.473 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.160 5.429 -4.984 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.348 6.044 -9.075 1.00 0.43 N ATOM 1726 CA LYS B 45 -17.423 6.398 -10.525 1.00 0.48 C ATOM 1727 C LYS B 45 -16.650 7.695 -10.784 1.00 0.51 C ATOM 1728 O LYS B 45 -16.288 7.989 -11.905 1.00 0.56 O ATOM 1729 CB LYS B 45 -18.890 6.619 -10.916 1.00 0.50 C ATOM 1730 CG LYS B 45 -19.761 5.494 -10.356 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.223 5.764 -10.724 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.092 4.574 -10.310 1.00 0.54 C ATOM 1733 NZ LYS B 45 -23.519 4.999 -10.260 1.00 1.55 N ATOM 0 H LYS B 45 -17.877 6.663 -8.461 1.00 0.43 H new ATOM 0 HA LYS B 45 -16.991 5.588 -11.112 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.235 7.580 -10.534 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -18.983 6.655 -12.001 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -19.442 4.534 -10.761 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -19.650 5.436 -9.273 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -21.571 6.670 -10.227 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.312 5.935 -11.797 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -21.969 3.755 -11.019 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -21.777 4.201 -9.335 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -24.084 4.264 -9.789 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -23.598 5.890 -9.729 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -23.873 5.141 -11.228 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.411 8.484 -9.760 1.00 0.50 N ATOM 1748 CA ARG B 46 -15.678 9.779 -9.949 1.00 0.54 C ATOM 1749 C ARG B 46 -14.563 9.877 -8.901 1.00 0.49 C ATOM 1750 O ARG B 46 -14.434 10.852 -8.193 1.00 0.48 O ATOM 1751 CB ARG B 46 -16.675 10.946 -9.787 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.166 12.226 -10.491 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.136 12.972 -9.628 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.140 14.427 -9.992 1.00 1.48 N ATOM 1755 CZ ARG B 46 -15.002 14.822 -11.230 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -14.656 13.978 -12.162 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -15.153 16.085 -11.526 1.00 2.82 N ATOM 0 H ARG B 46 -16.693 8.286 -8.800 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.235 9.826 -10.944 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -17.642 10.661 -10.202 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -16.830 11.149 -8.727 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -15.717 11.962 -11.448 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -17.008 12.884 -10.705 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -15.374 12.850 -8.571 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.143 12.550 -9.782 1.00 0.92 H new ATOM 0 HE ARG B 46 -15.253 15.124 -9.256 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -14.490 12.999 -11.928 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -14.551 14.297 -13.125 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -15.377 16.757 -10.793 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -15.046 16.399 -12.491 1.00 2.82 H new ATOM 1771 N SER B 47 -13.749 8.865 -8.807 1.00 0.46 N ATOM 1772 CA SER B 47 -12.630 8.884 -7.834 1.00 0.42 C ATOM 1773 C SER B 47 -11.707 7.715 -8.157 1.00 0.42 C ATOM 1774 O SER B 47 -11.148 7.627 -9.233 1.00 0.46 O ATOM 1775 CB SER B 47 -13.164 8.765 -6.399 1.00 0.38 C ATOM 1776 OG SER B 47 -13.653 7.452 -6.175 1.00 1.07 O ATOM 0 H SER B 47 -13.814 8.017 -9.370 1.00 0.46 H new ATOM 0 HA SER B 47 -12.085 9.825 -7.907 1.00 0.42 H new ATOM 0 HB2 SER B 47 -12.372 8.994 -5.686 1.00 0.38 H new ATOM 0 HB3 SER B 47 -13.960 9.492 -6.236 1.00 0.38 H new ATOM 0 HG SER B 47 -14.533 7.354 -6.596 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.559 6.810 -7.250 1.00 0.38 N ATOM 1783 CA LYS B 48 -10.698 5.630 -7.493 1.00 0.40 C ATOM 1784 C LYS B 48 -11.118 4.554 -6.511 1.00 0.35 C ATOM 1785 O LYS B 48 -12.020 3.778 -6.756 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.225 5.985 -7.241 1.00 0.44 C ATOM 1787 CG LYS B 48 -8.640 6.771 -8.423 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.098 6.715 -8.369 1.00 1.38 C ATOM 1789 CE LYS B 48 -6.585 5.471 -9.107 1.00 2.13 C ATOM 1790 NZ LYS B 48 -6.587 5.728 -10.574 1.00 2.73 N ATOM 0 H LYS B 48 -12.004 6.834 -6.333 1.00 0.38 H new ATOM 0 HA LYS B 48 -10.804 5.294 -8.524 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.140 6.576 -6.329 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -8.649 5.073 -7.085 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -8.997 6.352 -9.364 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -8.978 7.807 -8.387 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -6.678 7.614 -8.821 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -6.764 6.695 -7.332 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -5.577 5.226 -8.771 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -7.216 4.612 -8.877 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -6.659 4.825 -11.085 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -7.398 6.331 -10.820 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -5.705 6.208 -10.844 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.465 4.533 -5.382 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.779 3.542 -4.321 1.00 0.30 C ATOM 1806 C GLN B 49 -10.944 4.308 -2.999 1.00 0.25 C ATOM 1807 O GLN B 49 -10.265 5.289 -2.751 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.621 2.518 -4.226 1.00 0.35 C ATOM 1809 CG GLN B 49 -8.811 2.512 -5.529 1.00 0.82 C ATOM 1810 CD GLN B 49 -7.938 1.256 -5.584 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -6.754 1.335 -5.849 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -8.475 0.091 -5.345 1.00 1.52 N ATOM 0 H GLN B 49 -9.710 5.177 -5.148 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.697 2.998 -4.544 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -8.972 2.769 -3.387 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -10.021 1.523 -4.033 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -9.483 2.538 -6.387 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -8.187 3.404 -5.585 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -9.468 0.023 -5.123 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -7.902 -0.752 -5.381 1.00 1.52 H new ATOM 1821 N VAL B 50 -11.849 3.879 -2.156 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.074 4.584 -0.853 1.00 0.19 C ATOM 1823 C VAL B 50 -12.094 3.559 0.272 1.00 0.16 C ATOM 1824 O VAL B 50 -12.860 2.623 0.249 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.419 5.316 -0.895 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.524 6.258 0.307 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.522 6.118 -2.199 1.00 0.31 C ATOM 0 H VAL B 50 -12.446 3.067 -2.313 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.273 5.304 -0.682 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.233 4.592 -0.854 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.481 6.779 0.278 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.453 5.681 1.229 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.713 6.985 0.271 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.479 6.640 -2.231 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.711 6.845 -2.244 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.450 5.440 -3.050 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.256 3.732 1.256 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.215 2.760 2.380 1.00 0.15 C ATOM 1839 C CYS B 51 -12.464 2.922 3.243 1.00 0.14 C ATOM 1840 O CYS B 51 -13.030 3.993 3.342 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.970 3.029 3.223 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.490 2.750 2.220 1.00 0.21 S ATOM 0 H CYS B 51 -10.597 4.507 1.329 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.182 1.743 1.988 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.983 4.054 3.593 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.960 2.375 4.095 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.906 1.857 3.860 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.130 1.927 4.711 1.00 0.13 C ATOM 1849 C ALA B 52 -13.948 1.030 5.937 1.00 0.15 C ATOM 1850 O ALA B 52 -13.501 -0.098 5.836 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.332 1.436 3.903 1.00 0.11 C ATOM 0 H ALA B 52 -12.469 0.937 3.810 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.295 2.956 5.031 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.229 1.485 4.520 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.461 2.067 3.023 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.163 0.406 3.589 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.294 1.524 7.095 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.146 0.709 8.334 1.00 0.22 C ATOM 1859 C ASP B 53 -15.157 -0.464 8.297 1.00 0.21 C ATOM 1860 O ASP B 53 -16.345 -0.215 8.284 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.460 1.594 9.545 1.00 0.27 C ATOM 1862 CG ASP B 53 -14.012 0.890 10.828 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -13.180 0.003 10.735 1.00 2.17 O ATOM 1864 OD2 ASP B 53 -14.509 1.252 11.882 1.00 2.10 O ATOM 0 H ASP B 53 -14.674 2.460 7.236 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.130 0.319 8.403 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -13.951 2.553 9.448 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -15.529 1.803 9.588 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.698 -1.712 8.280 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.632 -2.858 8.242 1.00 0.24 C ATOM 1871 C PRO B 54 -16.523 -2.856 9.494 1.00 0.28 C ATOM 1872 O PRO B 54 -17.446 -3.637 9.613 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.732 -4.114 8.208 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.252 -3.634 8.248 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.264 -2.090 8.294 1.00 0.24 C ATOM 0 HA PRO B 54 -16.299 -2.820 7.381 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.947 -4.762 9.057 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.921 -4.696 7.306 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.741 -4.039 9.121 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.711 -3.987 7.370 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.768 -1.719 9.191 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.737 -1.666 7.439 1.00 0.24 H new ATOM 1883 N SER B 55 -16.242 -1.995 10.429 1.00 0.31 N ATOM 1884 CA SER B 55 -17.057 -1.956 11.676 1.00 0.36 C ATOM 1885 C SER B 55 -18.401 -1.277 11.397 1.00 0.36 C ATOM 1886 O SER B 55 -19.349 -1.437 12.139 1.00 0.40 O ATOM 1887 CB SER B 55 -16.305 -1.168 12.750 1.00 0.40 C ATOM 1888 OG SER B 55 -16.919 -1.390 14.013 1.00 1.42 O ATOM 0 H SER B 55 -15.483 -1.315 10.385 1.00 0.31 H new ATOM 0 HA SER B 55 -17.233 -2.975 12.022 1.00 0.36 H new ATOM 0 HB2 SER B 55 -15.261 -1.479 12.781 1.00 0.40 H new ATOM 0 HB3 SER B 55 -16.314 -0.105 12.510 1.00 0.40 H new ATOM 0 HG SER B 55 -16.438 -0.887 14.703 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.496 -0.527 10.333 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.787 0.151 10.017 1.00 0.33 C ATOM 1896 C GLU B 56 -20.717 -0.841 9.309 1.00 0.33 C ATOM 1897 O GLU B 56 -20.421 -1.350 8.247 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.522 1.356 9.115 1.00 0.31 C ATOM 1899 CG GLU B 56 -19.001 2.526 9.955 1.00 0.35 C ATOM 1900 CD GLU B 56 -20.149 3.121 10.771 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -21.067 3.652 10.167 1.00 2.01 O ATOM 1902 OE2 GLU B 56 -20.091 3.037 11.987 1.00 2.08 O ATOM 0 H GLU B 56 -17.739 -0.354 9.671 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.260 0.494 10.937 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.794 1.094 8.347 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.438 1.645 8.600 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -18.207 2.185 10.620 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.568 3.288 9.307 1.00 0.35 H new ATOM 1909 N SER B 57 -21.833 -1.126 9.913 1.00 0.37 N ATOM 1910 CA SER B 57 -22.801 -2.093 9.324 1.00 0.38 C ATOM 1911 C SER B 57 -23.115 -1.758 7.863 1.00 0.35 C ATOM 1912 O SER B 57 -23.265 -2.640 7.041 1.00 0.34 O ATOM 1913 CB SER B 57 -24.097 -2.062 10.135 1.00 0.44 C ATOM 1914 OG SER B 57 -25.098 -2.799 9.446 1.00 1.37 O ATOM 0 H SER B 57 -22.122 -0.724 10.805 1.00 0.37 H new ATOM 0 HA SER B 57 -22.351 -3.085 9.356 1.00 0.38 H new ATOM 0 HB2 SER B 57 -23.931 -2.488 11.124 1.00 0.44 H new ATOM 0 HB3 SER B 57 -24.423 -1.032 10.282 1.00 0.44 H new ATOM 0 HG SER B 57 -25.930 -2.783 9.963 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.243 -0.504 7.522 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.578 -0.168 6.111 1.00 0.32 C ATOM 1922 C TRP B 58 -22.477 -0.681 5.186 1.00 0.27 C ATOM 1923 O TRP B 58 -22.722 -1.030 4.051 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.792 1.345 5.951 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.492 2.087 5.866 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -21.955 2.823 6.866 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.579 2.211 4.733 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.770 3.386 6.425 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.490 3.037 5.122 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.582 1.689 3.419 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.442 3.336 4.239 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.529 1.987 2.526 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.461 2.809 2.938 1.00 0.26 C ATOM 0 H TRP B 58 -23.132 0.292 8.151 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.512 -0.658 5.836 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.378 1.536 5.052 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.370 1.721 6.795 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.382 2.951 7.850 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.176 3.987 6.996 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.396 1.057 3.095 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.626 3.967 4.558 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.542 1.584 1.524 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.657 3.034 2.253 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.271 -0.757 5.666 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.174 -1.272 4.807 1.00 0.20 C ATOM 1946 C VAL B 59 -20.429 -2.748 4.533 1.00 0.22 C ATOM 1947 O VAL B 59 -20.319 -3.212 3.417 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.840 -1.094 5.530 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.707 -1.693 4.692 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.600 0.400 5.736 1.00 0.19 C ATOM 0 H VAL B 59 -20.998 -0.486 6.611 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.139 -0.725 3.865 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.866 -1.605 6.492 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.759 -1.562 5.215 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.892 -2.756 4.537 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.662 -1.188 3.727 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.651 0.548 6.251 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.569 0.900 4.768 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.408 0.819 6.336 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.788 -3.486 5.541 1.00 0.25 N ATOM 1961 CA GLN B 60 -21.072 -4.932 5.332 1.00 0.28 C ATOM 1962 C GLN B 60 -22.293 -5.077 4.419 1.00 0.30 C ATOM 1963 O GLN B 60 -22.371 -5.976 3.605 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.355 -5.598 6.679 1.00 0.33 C ATOM 1965 CG GLN B 60 -21.500 -7.109 6.484 1.00 1.25 C ATOM 1966 CD GLN B 60 -21.773 -7.774 7.833 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -21.404 -7.252 8.866 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -22.407 -8.914 7.868 1.00 2.14 N ATOM 0 H GLN B 60 -20.897 -3.154 6.499 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.210 -5.413 4.869 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -20.545 -5.387 7.378 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -22.266 -5.188 7.114 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -22.314 -7.320 5.791 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -20.591 -7.518 6.042 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -22.717 -9.352 7.001 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -22.593 -9.367 8.763 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.250 -4.198 4.554 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.474 -4.277 3.704 1.00 0.33 C ATOM 1979 C GLU B 61 -24.114 -4.026 2.237 1.00 0.31 C ATOM 1980 O GLU B 61 -24.481 -4.782 1.360 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.483 -3.225 4.166 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.844 -3.510 3.531 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.472 -4.736 4.198 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -26.882 -5.243 5.137 1.00 2.03 O ATOM 1985 OE2 GLU B 61 -28.534 -5.146 3.758 1.00 1.99 O ATOM 0 H GLU B 61 -23.237 -3.425 5.219 1.00 0.31 H new ATOM 0 HA GLU B 61 -24.909 -5.272 3.799 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.567 -3.239 5.253 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.140 -2.229 3.885 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -27.498 -2.646 3.645 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -26.729 -3.684 2.461 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.406 -2.966 1.964 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.031 -2.663 0.551 1.00 0.28 C ATOM 1994 C TYR B 62 -22.167 -3.800 -0.006 1.00 0.28 C ATOM 1995 O TYR B 62 -22.268 -4.154 -1.164 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.239 -1.344 0.495 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.182 -0.152 0.503 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.154 -0.012 1.517 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.077 0.831 -0.505 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.013 1.105 1.520 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -23.937 1.942 -0.501 1.00 0.29 C ATOM 2002 CZ TYR B 62 -24.905 2.081 0.511 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.747 3.173 0.514 1.00 0.34 O ATOM 0 H TYR B 62 -23.070 -2.296 2.656 1.00 0.28 H new ATOM 0 HA TYR B 62 -23.937 -2.567 -0.048 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.562 -1.284 1.347 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.623 -1.321 -0.404 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.239 -0.761 2.290 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.333 0.729 -1.281 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.755 1.213 2.297 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.855 2.690 -1.275 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.538 3.749 -0.251 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.325 -4.380 0.804 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.472 -5.490 0.311 1.00 0.28 C ATOM 2015 C VAL B 63 -21.369 -6.670 -0.032 1.00 0.32 C ATOM 2016 O VAL B 63 -21.174 -7.355 -1.015 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.478 -5.893 1.402 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.756 -7.182 0.999 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.452 -4.772 1.590 1.00 0.25 C ATOM 0 H VAL B 63 -21.193 -4.132 1.784 1.00 0.27 H new ATOM 0 HA VAL B 63 -19.917 -5.176 -0.573 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.016 -6.061 2.335 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.050 -7.463 1.780 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.485 -7.981 0.865 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.218 -7.021 0.065 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.742 -5.055 2.367 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -17.919 -4.606 0.654 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -18.964 -3.856 1.883 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.358 -6.906 0.777 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.278 -8.038 0.512 1.00 0.38 C ATOM 2031 C TYR B 64 -23.979 -7.806 -0.823 1.00 0.39 C ATOM 2032 O TYR B 64 -24.124 -8.700 -1.630 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.318 -8.115 1.633 1.00 0.41 C ATOM 2034 CG TYR B 64 -24.979 -9.475 1.623 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.284 -10.597 2.116 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.287 -9.621 1.123 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -24.897 -11.865 2.106 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -26.900 -10.889 1.114 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.205 -12.011 1.605 1.00 0.55 C ATOM 2040 OH TYR B 64 -26.806 -13.253 1.596 1.00 0.60 O ATOM 0 H TYR B 64 -22.569 -6.361 1.613 1.00 0.34 H new ATOM 0 HA TYR B 64 -22.718 -8.973 0.473 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -23.841 -7.939 2.597 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.068 -7.335 1.501 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.281 -10.485 2.502 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -26.820 -8.761 0.746 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.364 -12.725 2.483 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -27.903 -11.001 0.730 1.00 0.54 H new ATOM 0 HH TYR B 64 -27.707 -13.178 1.219 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.415 -6.603 -1.053 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.113 -6.288 -2.330 1.00 0.37 C ATOM 2052 C ASP B 65 -24.159 -6.517 -3.506 1.00 0.37 C ATOM 2053 O ASP B 65 -24.561 -6.930 -4.575 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.560 -4.822 -2.305 1.00 0.35 C ATOM 2055 CG ASP B 65 -26.835 -4.684 -1.468 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -26.716 -4.534 -0.264 1.00 1.15 O ATOM 2057 OD2 ASP B 65 -27.908 -4.731 -2.048 1.00 1.11 O ATOM 0 H ASP B 65 -24.318 -5.818 -0.409 1.00 0.36 H new ATOM 0 HA ASP B 65 -25.983 -6.935 -2.445 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -24.770 -4.198 -1.887 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -25.740 -4.470 -3.321 1.00 0.35 H new ATOM 2062 N LEU B 66 -22.900 -6.247 -3.314 1.00 0.33 N ATOM 2063 CA LEU B 66 -21.913 -6.443 -4.412 1.00 0.34 C ATOM 2064 C LEU B 66 -21.682 -7.942 -4.633 1.00 0.39 C ATOM 2065 O LEU B 66 -21.401 -8.382 -5.730 1.00 0.42 O ATOM 2066 CB LEU B 66 -20.595 -5.763 -4.018 1.00 0.31 C ATOM 2067 CG LEU B 66 -20.673 -4.246 -4.289 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.631 -3.515 -3.439 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.389 -3.949 -5.771 1.00 0.30 C ATOM 0 H LEU B 66 -22.509 -5.897 -2.439 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.290 -6.005 -5.336 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.388 -5.941 -2.963 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -19.770 -6.198 -4.583 1.00 0.31 H new ATOM 0 HG LEU B 66 -21.676 -3.904 -4.034 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.689 -2.444 -3.633 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -19.826 -3.703 -2.383 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.635 -3.876 -3.694 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.448 -2.875 -5.945 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.391 -4.304 -6.028 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.126 -4.458 -6.392 1.00 0.30 H new ATOM 2081 N GLU B 67 -21.804 -8.725 -3.601 1.00 0.40 N ATOM 2082 CA GLU B 67 -21.597 -10.195 -3.750 1.00 0.45 C ATOM 2083 C GLU B 67 -22.782 -10.793 -4.506 1.00 0.50 C ATOM 2084 O GLU B 67 -22.663 -11.798 -5.176 1.00 0.55 O ATOM 2085 CB GLU B 67 -21.507 -10.838 -2.368 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.177 -10.460 -1.722 1.00 0.44 C ATOM 2087 CD GLU B 67 -20.012 -11.217 -0.403 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -20.906 -11.132 0.422 1.00 1.81 O ATOM 2089 OE2 GLU B 67 -18.994 -11.870 -0.241 1.00 1.88 O ATOM 0 H GLU B 67 -22.038 -8.413 -2.659 1.00 0.40 H new ATOM 0 HA GLU B 67 -20.675 -10.381 -4.300 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.336 -10.504 -1.744 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -21.589 -11.922 -2.452 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -19.354 -10.699 -2.395 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.141 -9.385 -1.543 1.00 0.44 H new