USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 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 166:sc= -0.3 USER MOD Set 1.2: B 47 SER OG : rot -35:sc= 0.374 USER MOD Set 2.1: B 23 ASN : amide:sc= -1.31! C(o=-1.3!,f=-0.88!) USER MOD Set 2.2: B 45 LYS NZ :NH3+ -152:sc= 0 (180deg=0) USER MOD Set 3.1: A 23 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.87) USER MOD Set 3.2: A 45 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 4.1: A 44 THR OG1 : rot 161:sc= -0.275 USER MOD Set 4.2: A 47 SER OG : rot -40:sc= 0.161 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 169:sc= -0.39 USER MOD Single : A 14 SER OG : rot -83:sc= 1.49 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.344 USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= -2.8! (180deg=-5.64!) 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 43:sc= -1.09 USER MOD Single : A 32 SER OG : rot -130:sc= -0.304 USER MOD Single : A 33 SER OG : rot 180:sc= -0.129 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD Single : A 43 GLN : amide:sc= -2.08! C(o=-2.1!,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00186 K(o=-0.0019,f=-1.6!) 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= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 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 166:sc= -0.457 USER MOD Single : B 14 SER OG : rot -79:sc= 1.47 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.302! USER MOD Single : B 19 LYS NZ :NH3+ -102:sc= -2.56! (180deg=-5.31!) 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= -0.999 USER MOD Single : B 32 SER OG : rot -130:sc= -0.306 USER MOD Single : B 33 SER OG : rot 180:sc= -0.121 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.013) USER MOD Single : B 43 GLN : amide:sc= -2.07! C(o=-2.1!,f=-5.1!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.7!) 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= -0.049 X(o=-0.049,f=-0.047) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.944 9.525 -3.996 1.00 0.44 N ATOM 52 CA SER A 5 -11.533 9.951 -2.693 1.00 0.30 C ATOM 53 C SER A 5 -10.564 9.607 -1.546 1.00 0.27 C ATOM 54 O SER A 5 -10.002 10.483 -0.918 1.00 0.30 O ATOM 55 CB SER A 5 -12.891 9.256 -2.498 1.00 0.49 C ATOM 56 OG SER A 5 -13.912 10.245 -2.448 1.00 1.52 O ATOM 0 HA SER A 5 -11.691 11.029 -2.691 1.00 0.30 H new ATOM 0 HB2 SER A 5 -13.079 8.561 -3.316 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.887 8.672 -1.578 1.00 0.49 H new ATOM 0 HG SER A 5 -14.782 9.811 -2.326 1.00 1.52 H new ATOM 62 N ASP A 6 -10.366 8.343 -1.267 1.00 0.24 N ATOM 63 CA ASP A 6 -9.433 7.958 -0.160 1.00 0.23 C ATOM 64 C ASP A 6 -8.922 6.525 -0.384 1.00 0.21 C ATOM 65 O ASP A 6 -9.271 5.633 0.363 1.00 0.20 O ATOM 66 CB ASP A 6 -10.172 8.016 1.184 1.00 0.25 C ATOM 67 CG ASP A 6 -10.974 9.316 1.276 1.00 1.26 C ATOM 68 OD1 ASP A 6 -10.401 10.315 1.679 1.00 2.00 O ATOM 69 OD2 ASP A 6 -12.147 9.290 0.942 1.00 2.03 O ATOM 0 H ASP A 6 -10.807 7.563 -1.754 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.592 8.652 -0.150 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.838 7.159 1.281 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -9.458 7.959 2.005 1.00 0.25 H new ATOM 74 N PRO A 7 -8.114 6.335 -1.407 1.00 0.22 N ATOM 75 CA PRO A 7 -7.569 4.999 -1.718 1.00 0.22 C ATOM 76 C PRO A 7 -6.634 4.533 -0.578 1.00 0.20 C ATOM 77 O PRO A 7 -6.281 5.320 0.278 1.00 0.20 O ATOM 78 CB PRO A 7 -6.793 5.188 -3.045 1.00 0.25 C ATOM 79 CG PRO A 7 -6.862 6.700 -3.417 1.00 0.27 C ATOM 80 CD PRO A 7 -7.689 7.414 -2.325 1.00 0.26 C ATOM 0 HA PRO A 7 -8.342 4.237 -1.814 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.757 4.868 -2.932 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.231 4.578 -3.835 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.860 7.125 -3.478 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.324 6.833 -4.395 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -7.093 8.164 -1.805 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.548 7.930 -2.753 1.00 0.26 H new ATOM 88 N PRO A 8 -6.252 3.268 -0.599 1.00 0.21 N ATOM 89 CA PRO A 8 -5.353 2.709 0.435 1.00 0.22 C ATOM 90 C PRO A 8 -3.991 3.422 0.389 1.00 0.22 C ATOM 91 O PRO A 8 -3.872 4.522 -0.112 1.00 0.22 O ATOM 92 CB PRO A 8 -5.215 1.210 0.071 1.00 0.24 C ATOM 93 CG PRO A 8 -5.933 0.994 -1.291 1.00 0.26 C ATOM 94 CD PRO A 8 -6.681 2.302 -1.635 1.00 0.24 C ATOM 0 HA PRO A 8 -5.738 2.842 1.446 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.165 0.927 0.000 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.662 0.585 0.844 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -5.211 0.749 -2.070 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.630 0.159 -1.228 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.424 2.654 -2.634 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.761 2.156 -1.617 1.00 0.24 H new ATOM 102 N THR A 9 -2.965 2.797 0.910 1.00 0.23 N ATOM 103 CA THR A 9 -1.614 3.432 0.898 1.00 0.24 C ATOM 104 C THR A 9 -0.534 2.349 0.927 1.00 0.24 C ATOM 105 O THR A 9 -0.539 1.470 1.765 1.00 0.25 O ATOM 106 CB THR A 9 -1.463 4.328 2.128 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.633 5.117 2.283 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.247 5.238 1.953 1.00 0.29 C ATOM 0 H THR A 9 -3.006 1.874 1.343 1.00 0.23 H new ATOM 0 HA THR A 9 -1.505 4.028 -0.008 1.00 0.24 H new ATOM 0 HB THR A 9 -1.323 3.709 3.014 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.615 5.560 3.157 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.141 5.876 2.830 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.649 4.629 1.836 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.382 5.859 1.067 1.00 0.29 H new ATOM 116 N ALA A 10 0.393 2.413 0.013 1.00 0.23 N ATOM 117 CA ALA A 10 1.481 1.398 -0.025 1.00 0.23 C ATOM 118 C ALA A 10 2.416 1.593 1.169 1.00 0.22 C ATOM 119 O ALA A 10 3.463 2.198 1.052 1.00 0.27 O ATOM 120 CB ALA A 10 2.275 1.563 -1.319 1.00 0.23 C ATOM 0 H ALA A 10 0.444 3.128 -0.713 1.00 0.23 H new ATOM 0 HA ALA A 10 1.045 0.400 0.020 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.074 0.822 -1.353 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.613 1.422 -2.173 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.706 2.563 -1.356 1.00 0.23 H new ATOM 126 N CYS A 11 2.051 1.074 2.313 1.00 0.25 N ATOM 127 CA CYS A 11 2.916 1.208 3.527 1.00 0.25 C ATOM 128 C CYS A 11 3.522 -0.159 3.847 1.00 0.25 C ATOM 129 O CYS A 11 2.850 -1.171 3.800 1.00 0.26 O ATOM 130 CB CYS A 11 2.064 1.679 4.711 1.00 0.25 C ATOM 131 SG CYS A 11 1.210 3.214 4.269 1.00 0.33 S ATOM 0 H CYS A 11 1.183 0.558 2.461 1.00 0.25 H new ATOM 0 HA CYS A 11 3.708 1.934 3.344 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.338 0.911 4.979 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.695 1.840 5.585 1.00 0.25 H new ATOM 136 N CYS A 12 4.788 -0.202 4.163 1.00 0.24 N ATOM 137 CA CYS A 12 5.426 -1.511 4.475 1.00 0.24 C ATOM 138 C CYS A 12 4.910 -2.019 5.822 1.00 0.24 C ATOM 139 O CYS A 12 4.699 -1.256 6.744 1.00 0.27 O ATOM 140 CB CYS A 12 6.947 -1.343 4.541 1.00 0.24 C ATOM 141 SG CYS A 12 7.579 -0.901 2.904 1.00 0.24 S ATOM 0 H CYS A 12 5.405 0.609 4.218 1.00 0.24 H new ATOM 0 HA CYS A 12 5.177 -2.229 3.694 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.207 -0.569 5.264 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.411 -2.268 4.884 1.00 0.24 H new ATOM 146 N PHE A 13 4.712 -3.306 5.943 1.00 0.25 N ATOM 147 CA PHE A 13 4.214 -3.884 7.228 1.00 0.27 C ATOM 148 C PHE A 13 5.395 -4.511 7.971 1.00 0.24 C ATOM 149 O PHE A 13 5.341 -4.761 9.159 1.00 0.26 O ATOM 150 CB PHE A 13 3.169 -4.964 6.927 1.00 0.30 C ATOM 151 CG PHE A 13 3.831 -6.117 6.210 1.00 0.31 C ATOM 152 CD1 PHE A 13 4.132 -6.012 4.839 1.00 0.31 C ATOM 153 CD2 PHE A 13 4.153 -7.293 6.914 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.756 -7.082 4.172 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.777 -8.364 6.247 1.00 0.37 C ATOM 156 CZ PHE A 13 5.079 -8.259 4.876 1.00 0.37 C ATOM 0 H PHE A 13 4.875 -3.987 5.201 1.00 0.25 H new ATOM 0 HA PHE A 13 3.760 -3.104 7.839 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.712 -5.312 7.854 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.369 -4.550 6.313 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.884 -5.110 4.299 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.921 -7.373 7.966 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.987 -7.001 3.120 1.00 0.34 H new ATOM 0 HE2 PHE A 13 5.024 -9.266 6.787 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.558 -9.080 4.364 1.00 0.37 H new ATOM 166 N SER A 14 6.465 -4.762 7.268 1.00 0.21 N ATOM 167 CA SER A 14 7.666 -5.369 7.906 1.00 0.20 C ATOM 168 C SER A 14 8.895 -5.027 7.062 1.00 0.18 C ATOM 169 O SER A 14 8.917 -4.036 6.360 1.00 0.17 O ATOM 170 CB SER A 14 7.498 -6.886 7.975 1.00 0.20 C ATOM 171 OG SER A 14 7.340 -7.403 6.660 1.00 0.25 O ATOM 0 H SER A 14 6.559 -4.571 6.271 1.00 0.21 H new ATOM 0 HA SER A 14 7.788 -4.978 8.916 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.367 -7.338 8.454 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.631 -7.140 8.584 1.00 0.20 H new ATOM 0 HG SER A 14 6.403 -7.318 6.386 1.00 0.25 H new ATOM 177 N TYR A 15 9.919 -5.834 7.121 1.00 0.19 N ATOM 178 CA TYR A 15 11.144 -5.544 6.316 1.00 0.20 C ATOM 179 C TYR A 15 11.887 -6.850 6.040 1.00 0.24 C ATOM 180 O TYR A 15 11.707 -7.835 6.728 1.00 0.29 O ATOM 181 CB TYR A 15 12.060 -4.591 7.098 1.00 0.22 C ATOM 182 CG TYR A 15 11.228 -3.546 7.800 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.815 -2.391 7.110 1.00 0.21 C ATOM 184 CD2 TYR A 15 10.864 -3.728 9.149 1.00 0.25 C ATOM 185 CE1 TYR A 15 10.039 -1.418 7.767 1.00 0.23 C ATOM 186 CE2 TYR A 15 10.087 -2.755 9.806 1.00 0.28 C ATOM 187 CZ TYR A 15 9.675 -1.599 9.116 1.00 0.27 C ATOM 188 OH TYR A 15 8.914 -0.645 9.760 1.00 0.32 O ATOM 0 H TYR A 15 9.962 -6.680 7.690 1.00 0.19 H new ATOM 0 HA TYR A 15 10.858 -5.078 5.373 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.647 -5.151 7.826 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.766 -4.112 6.420 1.00 0.22 H new ATOM 0 HD1 TYR A 15 11.094 -2.251 6.076 1.00 0.21 H new ATOM 0 HD2 TYR A 15 11.181 -4.614 9.679 1.00 0.25 H new ATOM 0 HE1 TYR A 15 9.722 -0.532 7.237 1.00 0.23 H new ATOM 0 HE2 TYR A 15 9.807 -2.895 10.840 1.00 0.28 H new ATOM 0 HH TYR A 15 8.751 -0.926 10.685 1.00 0.32 H new ATOM 198 N THR A 16 12.729 -6.867 5.043 1.00 0.22 N ATOM 199 CA THR A 16 13.482 -8.115 4.743 1.00 0.28 C ATOM 200 C THR A 16 14.312 -8.495 5.971 1.00 0.32 C ATOM 201 O THR A 16 14.040 -8.053 7.070 1.00 0.38 O ATOM 202 CB THR A 16 14.389 -7.900 3.522 1.00 0.28 C ATOM 203 OG1 THR A 16 15.141 -9.079 3.277 1.00 0.39 O ATOM 204 CG2 THR A 16 15.340 -6.729 3.771 1.00 0.27 C ATOM 0 H THR A 16 12.926 -6.077 4.428 1.00 0.22 H new ATOM 0 HA THR A 16 12.788 -8.923 4.511 1.00 0.28 H new ATOM 0 HB THR A 16 13.769 -7.674 2.655 1.00 0.28 H new ATOM 0 HG1 THR A 16 15.718 -8.943 2.497 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.978 -6.586 2.899 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.762 -5.822 3.950 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.959 -6.942 4.642 1.00 0.27 H new ATOM 212 N ALA A 17 15.317 -9.310 5.804 1.00 0.36 N ATOM 213 CA ALA A 17 16.157 -9.717 6.970 1.00 0.42 C ATOM 214 C ALA A 17 17.603 -9.867 6.512 1.00 0.45 C ATOM 215 O ALA A 17 18.435 -10.408 7.212 1.00 0.63 O ATOM 216 CB ALA A 17 15.656 -11.056 7.512 1.00 0.50 C ATOM 0 H ALA A 17 15.595 -9.713 4.909 1.00 0.36 H new ATOM 0 HA ALA A 17 16.094 -8.961 7.753 1.00 0.42 H new ATOM 0 HB1 ALA A 17 16.267 -11.356 8.363 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.618 -10.955 7.828 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.725 -11.813 6.731 1.00 0.50 H new ATOM 222 N ARG A 18 17.909 -9.391 5.334 1.00 0.47 N ATOM 223 CA ARG A 18 19.301 -9.502 4.810 1.00 0.48 C ATOM 224 C ARG A 18 19.659 -8.236 4.034 1.00 0.41 C ATOM 225 O ARG A 18 18.932 -7.803 3.162 1.00 0.37 O ATOM 226 CB ARG A 18 19.389 -10.712 3.876 1.00 0.53 C ATOM 227 CG ARG A 18 18.890 -11.968 4.606 1.00 0.70 C ATOM 228 CD ARG A 18 19.435 -13.225 3.924 1.00 1.15 C ATOM 229 NE ARG A 18 19.394 -13.062 2.433 1.00 1.96 N ATOM 230 CZ ARG A 18 18.283 -12.774 1.807 1.00 2.64 C ATOM 231 NH1 ARG A 18 17.143 -12.791 2.440 1.00 2.84 N ATOM 232 NH2 ARG A 18 18.309 -12.519 0.527 1.00 3.63 N ATOM 0 H ARG A 18 17.250 -8.927 4.709 1.00 0.47 H new ATOM 0 HA ARG A 18 19.996 -9.624 5.641 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.790 -10.538 2.982 1.00 0.53 H new ATOM 0 HB3 ARG A 18 20.418 -10.856 3.547 1.00 0.53 H new ATOM 0 HG2 ARG A 18 19.209 -11.943 5.648 1.00 0.70 H new ATOM 0 HG3 ARG A 18 17.800 -11.989 4.607 1.00 0.70 H new ATOM 0 HD2 ARG A 18 20.459 -13.410 4.249 1.00 1.15 H new ATOM 0 HD3 ARG A 18 18.845 -14.093 4.219 1.00 1.15 H new ATOM 0 HE ARG A 18 20.253 -13.179 1.895 1.00 1.96 H new ATOM 0 HH11 ARG A 18 17.114 -13.030 3.431 1.00 2.84 H new ATOM 0 HH12 ARG A 18 16.281 -12.565 1.944 1.00 2.84 H new ATOM 0 HH21 ARG A 18 19.194 -12.545 0.020 1.00 3.63 H new ATOM 0 HH22 ARG A 18 17.445 -12.294 0.034 1.00 3.63 H new ATOM 246 N LYS A 19 20.780 -7.645 4.337 1.00 0.40 N ATOM 247 CA LYS A 19 21.196 -6.413 3.611 1.00 0.35 C ATOM 248 C LYS A 19 21.405 -6.771 2.136 1.00 0.31 C ATOM 249 O LYS A 19 22.137 -7.683 1.807 1.00 0.33 O ATOM 250 CB LYS A 19 22.503 -5.892 4.239 1.00 0.38 C ATOM 251 CG LYS A 19 23.094 -4.721 3.430 1.00 0.40 C ATOM 252 CD LYS A 19 24.559 -4.496 3.832 1.00 0.62 C ATOM 253 CE LYS A 19 24.693 -4.428 5.359 1.00 0.97 C ATOM 254 NZ LYS A 19 24.736 -5.810 5.917 1.00 1.79 N ATOM 0 H LYS A 19 21.428 -7.963 5.058 1.00 0.40 H new ATOM 0 HA LYS A 19 20.436 -5.635 3.684 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.312 -5.568 5.262 1.00 0.38 H new ATOM 0 HB3 LYS A 19 23.230 -6.702 4.292 1.00 0.38 H new ATOM 0 HG2 LYS A 19 23.029 -4.935 2.363 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.515 -3.815 3.609 1.00 0.40 H new ATOM 0 HD2 LYS A 19 25.177 -5.305 3.442 1.00 0.62 H new ATOM 0 HD3 LYS A 19 24.926 -3.571 3.387 1.00 0.62 H new ATOM 0 HE2 LYS A 19 25.599 -3.886 5.631 1.00 0.97 H new ATOM 0 HE3 LYS A 19 23.853 -3.879 5.784 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 25.448 -5.857 6.674 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 23.803 -6.058 6.303 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 24.988 -6.481 5.163 1.00 1.79 H new ATOM 268 N LEU A 20 20.768 -6.059 1.246 1.00 0.27 N ATOM 269 CA LEU A 20 20.935 -6.362 -0.202 1.00 0.27 C ATOM 270 C LEU A 20 22.333 -5.887 -0.661 1.00 0.27 C ATOM 271 O LEU A 20 22.651 -4.731 -0.467 1.00 0.27 O ATOM 272 CB LEU A 20 19.879 -5.598 -1.009 1.00 0.24 C ATOM 273 CG LEU A 20 18.507 -5.724 -0.346 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.462 -5.059 -1.240 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.150 -7.202 -0.164 1.00 0.27 C ATOM 0 H LEU A 20 20.141 -5.283 1.459 1.00 0.27 H new ATOM 0 HA LEU A 20 20.825 -7.435 -0.361 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.159 -4.547 -1.083 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.836 -5.989 -2.026 1.00 0.24 H new ATOM 0 HG LEU A 20 18.529 -5.239 0.630 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.479 -5.143 -0.776 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.712 -4.006 -1.371 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.448 -5.552 -2.212 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.171 -7.284 0.309 1.00 0.27 H new ATOM 0 HD22 LEU A 20 18.125 -7.693 -1.137 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.899 -7.682 0.466 1.00 0.27 H new ATOM 287 N PRO A 21 23.137 -6.746 -1.269 1.00 0.31 N ATOM 288 CA PRO A 21 24.466 -6.316 -1.737 1.00 0.34 C ATOM 289 C PRO A 21 24.314 -5.112 -2.668 1.00 0.30 C ATOM 290 O PRO A 21 23.374 -5.028 -3.431 1.00 0.29 O ATOM 291 CB PRO A 21 25.037 -7.534 -2.499 1.00 0.39 C ATOM 292 CG PRO A 21 24.059 -8.722 -2.273 1.00 0.42 C ATOM 293 CD PRO A 21 22.820 -8.169 -1.538 1.00 0.35 C ATOM 0 HA PRO A 21 25.123 -6.012 -0.922 1.00 0.34 H new ATOM 0 HB2 PRO A 21 25.132 -7.312 -3.562 1.00 0.39 H new ATOM 0 HB3 PRO A 21 26.034 -7.782 -2.135 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.772 -9.169 -3.225 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.536 -9.505 -1.684 1.00 0.42 H new ATOM 0 HD2 PRO A 21 21.923 -8.265 -2.150 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.634 -8.714 -0.612 1.00 0.35 H new ATOM 301 N ARG A 22 25.235 -4.192 -2.631 1.00 0.31 N ATOM 302 CA ARG A 22 25.136 -3.019 -3.542 1.00 0.30 C ATOM 303 C ARG A 22 24.903 -3.529 -4.964 1.00 0.31 C ATOM 304 O ARG A 22 24.234 -2.906 -5.764 1.00 0.31 O ATOM 305 CB ARG A 22 26.436 -2.216 -3.488 1.00 0.33 C ATOM 306 CG ARG A 22 26.346 -1.037 -4.465 1.00 0.69 C ATOM 307 CD ARG A 22 27.545 -0.102 -4.265 1.00 1.24 C ATOM 308 NE ARG A 22 27.217 1.263 -4.794 1.00 1.34 N ATOM 309 CZ ARG A 22 26.786 1.436 -6.017 1.00 2.07 C ATOM 310 NH1 ARG A 22 26.815 0.456 -6.876 1.00 2.89 N ATOM 311 NH2 ARG A 22 26.380 2.617 -6.397 1.00 2.44 N ATOM 0 H ARG A 22 26.047 -4.200 -2.014 1.00 0.31 H new ATOM 0 HA ARG A 22 24.311 -2.375 -3.237 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.610 -1.851 -2.476 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.281 -2.854 -3.747 1.00 0.33 H new ATOM 0 HG2 ARG A 22 26.327 -1.404 -5.491 1.00 0.69 H new ATOM 0 HG3 ARG A 22 25.417 -0.490 -4.305 1.00 0.69 H new ATOM 0 HD2 ARG A 22 27.798 -0.041 -3.207 1.00 1.24 H new ATOM 0 HD3 ARG A 22 28.419 -0.501 -4.779 1.00 1.24 H new ATOM 0 HE ARG A 22 27.333 2.074 -4.187 1.00 1.34 H new ATOM 0 HH11 ARG A 22 27.176 -0.456 -6.597 1.00 2.89 H new ATOM 0 HH12 ARG A 22 26.477 0.601 -7.827 1.00 2.89 H new ATOM 0 HH21 ARG A 22 26.400 3.398 -5.742 1.00 2.44 H new ATOM 0 HH22 ARG A 22 26.043 2.758 -7.349 1.00 2.44 H new ATOM 325 N ASN A 23 25.454 -4.673 -5.279 1.00 0.34 N ATOM 326 CA ASN A 23 25.274 -5.248 -6.641 1.00 0.37 C ATOM 327 C ASN A 23 23.847 -5.778 -6.798 1.00 0.37 C ATOM 328 O ASN A 23 23.553 -6.524 -7.711 1.00 0.40 O ATOM 329 CB ASN A 23 26.268 -6.394 -6.844 1.00 0.42 C ATOM 330 CG ASN A 23 26.099 -6.974 -8.249 1.00 1.47 C ATOM 331 OD1 ASN A 23 26.066 -8.176 -8.422 1.00 2.16 O ATOM 332 ND2 ASN A 23 25.991 -6.166 -9.266 1.00 2.38 N ATOM 0 H ASN A 23 26.024 -5.235 -4.646 1.00 0.34 H new ATOM 0 HA ASN A 23 25.452 -4.471 -7.385 1.00 0.37 H new ATOM 0 HB2 ASN A 23 27.288 -6.033 -6.708 1.00 0.42 H new ATOM 0 HB3 ASN A 23 26.102 -7.170 -6.097 1.00 0.42 H new ATOM 0 HD21 ASN A 23 25.879 -6.543 -10.207 1.00 2.38 H new ATOM 0 HD22 ASN A 23 26.019 -5.157 -9.121 1.00 2.38 H new ATOM 339 N PHE A 24 22.957 -5.407 -5.911 1.00 0.33 N ATOM 340 CA PHE A 24 21.543 -5.898 -6.005 1.00 0.33 C ATOM 341 C PHE A 24 20.588 -4.753 -5.657 1.00 0.30 C ATOM 342 O PHE A 24 19.509 -4.964 -5.138 1.00 0.28 O ATOM 343 CB PHE A 24 21.347 -7.061 -5.017 1.00 0.33 C ATOM 344 CG PHE A 24 20.157 -7.907 -5.423 1.00 0.35 C ATOM 345 CD1 PHE A 24 20.150 -8.565 -6.671 1.00 0.39 C ATOM 346 CD2 PHE A 24 19.056 -8.045 -4.552 1.00 0.35 C ATOM 347 CE1 PHE A 24 19.049 -9.355 -7.045 1.00 0.41 C ATOM 348 CE2 PHE A 24 17.954 -8.837 -4.929 1.00 0.37 C ATOM 349 CZ PHE A 24 17.950 -9.492 -6.175 1.00 0.41 C ATOM 0 H PHE A 24 23.147 -4.785 -5.125 1.00 0.33 H new ATOM 0 HA PHE A 24 21.335 -6.245 -7.017 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.246 -7.677 -4.988 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.196 -6.670 -4.011 1.00 0.33 H new ATOM 0 HD1 PHE A 24 20.992 -8.462 -7.340 1.00 0.39 H new ATOM 0 HD2 PHE A 24 19.058 -7.543 -3.596 1.00 0.35 H new ATOM 0 HE1 PHE A 24 19.046 -9.858 -8.001 1.00 0.41 H new ATOM 0 HE2 PHE A 24 17.111 -8.942 -4.262 1.00 0.37 H new ATOM 0 HZ PHE A 24 17.105 -10.099 -6.464 1.00 0.41 H new ATOM 359 N VAL A 25 20.977 -3.543 -5.951 1.00 0.30 N ATOM 360 CA VAL A 25 20.103 -2.370 -5.660 1.00 0.28 C ATOM 361 C VAL A 25 20.364 -1.305 -6.717 1.00 0.30 C ATOM 362 O VAL A 25 21.225 -0.458 -6.579 1.00 0.31 O ATOM 363 CB VAL A 25 20.417 -1.818 -4.267 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.464 -0.666 -3.943 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.234 -2.928 -3.229 1.00 0.23 C ATOM 0 H VAL A 25 21.871 -3.314 -6.385 1.00 0.30 H new ATOM 0 HA VAL A 25 19.055 -2.668 -5.683 1.00 0.28 H new ATOM 0 HB VAL A 25 21.445 -1.457 -4.245 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.690 -0.275 -2.951 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.586 0.126 -4.682 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.436 -1.027 -3.965 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.457 -2.538 -2.236 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.205 -3.285 -3.256 1.00 0.23 H new ATOM 0 HG23 VAL A 25 20.910 -3.753 -3.455 1.00 0.23 H new ATOM 375 N VAL A 26 19.626 -1.367 -7.783 1.00 0.33 N ATOM 376 CA VAL A 26 19.800 -0.396 -8.893 1.00 0.36 C ATOM 377 C VAL A 26 19.048 0.897 -8.571 1.00 0.35 C ATOM 378 O VAL A 26 19.277 1.924 -9.179 1.00 0.37 O ATOM 379 CB VAL A 26 19.243 -1.041 -10.175 1.00 0.41 C ATOM 380 CG1 VAL A 26 17.993 -1.861 -9.829 1.00 0.78 C ATOM 381 CG2 VAL A 26 18.881 0.033 -11.208 1.00 0.61 C ATOM 0 H VAL A 26 18.896 -2.062 -7.936 1.00 0.33 H new ATOM 0 HA VAL A 26 20.853 -0.149 -9.029 1.00 0.36 H new ATOM 0 HB VAL A 26 20.007 -1.690 -10.602 1.00 0.41 H new ATOM 0 HG11 VAL A 26 17.596 -2.319 -10.735 1.00 0.78 H new ATOM 0 HG12 VAL A 26 18.256 -2.640 -9.113 1.00 0.78 H new ATOM 0 HG13 VAL A 26 17.238 -1.207 -9.392 1.00 0.78 H new ATOM 0 HG21 VAL A 26 18.489 -0.444 -12.107 1.00 0.61 H new ATOM 0 HG22 VAL A 26 18.125 0.698 -10.791 1.00 0.61 H new ATOM 0 HG23 VAL A 26 19.771 0.609 -11.461 1.00 0.61 H new ATOM 391 N ASP A 27 18.150 0.856 -7.632 1.00 0.32 N ATOM 392 CA ASP A 27 17.386 2.085 -7.297 1.00 0.31 C ATOM 393 C ASP A 27 16.579 1.844 -6.023 1.00 0.27 C ATOM 394 O ASP A 27 16.741 0.840 -5.358 1.00 0.25 O ATOM 395 CB ASP A 27 16.441 2.411 -8.460 1.00 0.34 C ATOM 396 CG ASP A 27 15.993 3.871 -8.370 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.843 4.719 -8.154 1.00 1.09 O ATOM 398 OD2 ASP A 27 14.807 4.116 -8.518 1.00 1.13 O ATOM 0 H ASP A 27 17.912 0.029 -7.084 1.00 0.32 H new ATOM 0 HA ASP A 27 18.067 2.920 -7.135 1.00 0.31 H new ATOM 0 HB2 ASP A 27 16.944 2.233 -9.410 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.573 1.752 -8.431 1.00 0.34 H new ATOM 403 N TYR A 28 15.710 2.751 -5.675 1.00 0.26 N ATOM 404 CA TYR A 28 14.897 2.557 -4.443 1.00 0.23 C ATOM 405 C TYR A 28 13.614 3.377 -4.526 1.00 0.25 C ATOM 406 O TYR A 28 13.318 4.005 -5.524 1.00 0.29 O ATOM 407 CB TYR A 28 15.706 2.970 -3.208 1.00 0.19 C ATOM 408 CG TYR A 28 15.839 4.478 -3.133 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.545 5.177 -4.131 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.264 5.183 -2.055 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.678 6.575 -4.053 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.397 6.580 -1.975 1.00 0.22 C ATOM 413 CZ TYR A 28 16.103 7.279 -2.975 1.00 0.25 C ATOM 414 OH TYR A 28 16.235 8.650 -2.897 1.00 0.28 O ATOM 0 H TYR A 28 15.528 3.614 -6.187 1.00 0.26 H new ATOM 0 HA TYR A 28 14.635 1.502 -4.357 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.218 2.598 -2.307 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.695 2.514 -3.246 1.00 0.19 H new ATOM 0 HD1 TYR A 28 16.985 4.639 -4.958 1.00 0.25 H new ATOM 0 HD2 TYR A 28 14.721 4.648 -1.290 1.00 0.19 H new ATOM 0 HE1 TYR A 28 17.221 7.109 -4.819 1.00 0.26 H new ATOM 0 HE2 TYR A 28 14.958 7.118 -1.147 1.00 0.22 H new ATOM 0 HH TYR A 28 15.779 8.977 -2.094 1.00 0.28 H new ATOM 424 N TYR A 29 12.846 3.352 -3.482 1.00 0.23 N ATOM 425 CA TYR A 29 11.564 4.098 -3.465 1.00 0.25 C ATOM 426 C TYR A 29 11.130 4.279 -2.004 1.00 0.22 C ATOM 427 O TYR A 29 11.256 3.379 -1.203 1.00 0.23 O ATOM 428 CB TYR A 29 10.525 3.282 -4.253 1.00 0.29 C ATOM 429 CG TYR A 29 9.123 3.718 -3.900 1.00 0.31 C ATOM 430 CD1 TYR A 29 8.650 4.969 -4.328 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.293 2.871 -3.139 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.344 5.379 -3.997 1.00 0.39 C ATOM 433 CE2 TYR A 29 6.988 3.278 -2.809 1.00 0.38 C ATOM 434 CZ TYR A 29 6.512 4.533 -3.237 1.00 0.36 C ATOM 435 OH TYR A 29 5.232 4.935 -2.912 1.00 0.39 O ATOM 0 H TYR A 29 13.054 2.839 -2.626 1.00 0.23 H new ATOM 0 HA TYR A 29 11.665 5.081 -3.925 1.00 0.25 H new ATOM 0 HB2 TYR A 29 10.692 3.408 -5.323 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.647 2.221 -4.034 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.288 5.617 -4.911 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.659 1.910 -2.809 1.00 0.35 H new ATOM 0 HE1 TYR A 29 6.980 6.341 -4.326 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.351 2.628 -2.227 1.00 0.38 H new ATOM 0 HH TYR A 29 4.793 4.234 -2.386 1.00 0.39 H new ATOM 445 N GLU A 30 10.624 5.429 -1.646 1.00 0.22 N ATOM 446 CA GLU A 30 10.188 5.649 -0.231 1.00 0.20 C ATOM 447 C GLU A 30 8.683 5.386 -0.113 1.00 0.21 C ATOM 448 O GLU A 30 7.948 5.479 -1.075 1.00 0.24 O ATOM 449 CB GLU A 30 10.490 7.092 0.179 1.00 0.22 C ATOM 450 CG GLU A 30 11.988 7.245 0.461 1.00 0.25 C ATOM 451 CD GLU A 30 12.289 8.696 0.843 1.00 0.69 C ATOM 452 OE1 GLU A 30 12.383 9.516 -0.055 1.00 1.35 O ATOM 453 OE2 GLU A 30 12.420 8.961 2.026 1.00 1.43 O ATOM 0 H GLU A 30 10.493 6.226 -2.269 1.00 0.22 H new ATOM 0 HA GLU A 30 10.728 4.966 0.425 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.187 7.776 -0.613 1.00 0.22 H new ATOM 0 HB3 GLU A 30 9.914 7.357 1.066 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.287 6.576 1.268 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.565 6.962 -0.419 1.00 0.25 H new ATOM 460 N THR A 31 8.225 5.050 1.062 1.00 0.19 N ATOM 461 CA THR A 31 6.771 4.767 1.255 1.00 0.21 C ATOM 462 C THR A 31 5.969 6.068 1.227 1.00 0.25 C ATOM 463 O THR A 31 6.449 7.105 0.813 1.00 0.27 O ATOM 464 CB THR A 31 6.571 4.089 2.610 1.00 0.20 C ATOM 465 OG1 THR A 31 7.272 4.823 3.595 1.00 0.21 O ATOM 466 CG2 THR A 31 7.104 2.657 2.544 1.00 0.20 C ATOM 0 H THR A 31 8.797 4.958 1.902 1.00 0.19 H new ATOM 0 HA THR A 31 6.425 4.118 0.451 1.00 0.21 H new ATOM 0 HB THR A 31 5.511 4.060 2.864 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.131 5.782 3.451 1.00 0.21 H new ATOM 0 HG21 THR A 31 6.962 2.171 3.509 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.564 2.103 1.776 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.166 2.675 2.299 1.00 0.20 H new ATOM 474 N SER A 32 4.743 6.012 1.673 1.00 0.27 N ATOM 475 CA SER A 32 3.882 7.226 1.688 1.00 0.31 C ATOM 476 C SER A 32 4.120 8.007 2.979 1.00 0.33 C ATOM 477 O SER A 32 5.223 8.085 3.483 1.00 0.33 O ATOM 478 CB SER A 32 2.418 6.799 1.624 1.00 0.33 C ATOM 479 OG SER A 32 2.225 5.945 0.504 1.00 1.27 O ATOM 0 H SER A 32 4.298 5.167 2.031 1.00 0.27 H new ATOM 0 HA SER A 32 4.125 7.856 0.832 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.138 6.282 2.542 1.00 0.33 H new ATOM 0 HB3 SER A 32 1.775 7.675 1.542 1.00 0.33 H new ATOM 0 HG SER A 32 1.458 6.259 -0.019 1.00 1.27 H new ATOM 485 N SER A 33 3.082 8.588 3.514 1.00 0.36 N ATOM 486 CA SER A 33 3.212 9.377 4.776 1.00 0.40 C ATOM 487 C SER A 33 1.960 9.165 5.621 1.00 0.40 C ATOM 488 O SER A 33 2.013 9.107 6.832 1.00 0.42 O ATOM 489 CB SER A 33 3.329 10.857 4.429 1.00 0.46 C ATOM 490 OG SER A 33 2.033 11.384 4.181 1.00 0.48 O ATOM 0 H SER A 33 2.139 8.551 3.128 1.00 0.36 H new ATOM 0 HA SER A 33 4.095 9.054 5.327 1.00 0.40 H new ATOM 0 HB2 SER A 33 3.804 11.398 5.248 1.00 0.46 H new ATOM 0 HB3 SER A 33 3.962 10.988 3.551 1.00 0.46 H new ATOM 0 HG SER A 33 2.104 12.336 3.959 1.00 0.48 H new ATOM 496 N LEU A 34 0.831 9.057 4.973 1.00 0.39 N ATOM 497 CA LEU A 34 -0.460 8.851 5.696 1.00 0.39 C ATOM 498 C LEU A 34 -0.266 7.877 6.858 1.00 0.37 C ATOM 499 O LEU A 34 -0.554 8.184 7.998 1.00 0.40 O ATOM 500 CB LEU A 34 -1.497 8.270 4.733 1.00 0.36 C ATOM 501 CG LEU A 34 -1.431 8.993 3.386 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.590 8.523 2.503 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.533 10.505 3.609 1.00 0.45 C ATOM 0 H LEU A 34 0.747 9.103 3.958 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.802 9.811 6.082 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.316 7.205 4.591 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.495 8.370 5.159 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.484 8.766 2.896 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.547 9.036 1.542 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.513 7.447 2.344 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.536 8.751 2.993 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.486 11.018 2.649 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.479 10.738 4.099 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.707 10.836 4.239 1.00 0.45 H new ATOM 515 N CYS A 35 0.218 6.704 6.573 1.00 0.33 N ATOM 516 CA CYS A 35 0.428 5.708 7.657 1.00 0.34 C ATOM 517 C CYS A 35 1.572 6.182 8.559 1.00 0.39 C ATOM 518 O CYS A 35 2.627 6.555 8.096 1.00 0.38 O ATOM 519 CB CYS A 35 0.766 4.344 7.044 1.00 0.32 C ATOM 520 SG CYS A 35 1.867 4.565 5.623 1.00 0.39 S ATOM 0 H CYS A 35 0.477 6.391 5.637 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.481 5.610 8.251 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.243 3.708 7.790 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.148 3.839 6.732 1.00 0.32 H new ATOM 525 N SER A 36 1.354 6.198 9.844 1.00 0.44 N ATOM 526 CA SER A 36 2.412 6.664 10.787 1.00 0.51 C ATOM 527 C SER A 36 3.618 5.712 10.789 1.00 0.51 C ATOM 528 O SER A 36 4.268 5.549 11.802 1.00 0.58 O ATOM 529 CB SER A 36 1.828 6.737 12.198 1.00 0.59 C ATOM 530 OG SER A 36 1.293 5.467 12.550 1.00 1.41 O ATOM 0 H SER A 36 0.482 5.906 10.286 1.00 0.44 H new ATOM 0 HA SER A 36 2.753 7.647 10.462 1.00 0.51 H new ATOM 0 HB2 SER A 36 2.600 7.029 12.909 1.00 0.59 H new ATOM 0 HB3 SER A 36 1.049 7.498 12.243 1.00 0.59 H new ATOM 0 HG SER A 36 0.919 5.509 13.455 1.00 1.41 H new ATOM 536 N GLN A 37 3.936 5.073 9.690 1.00 0.45 N ATOM 537 CA GLN A 37 5.109 4.143 9.702 1.00 0.47 C ATOM 538 C GLN A 37 5.703 3.982 8.294 1.00 0.36 C ATOM 539 O GLN A 37 5.667 2.901 7.745 1.00 0.35 O ATOM 540 CB GLN A 37 4.657 2.772 10.217 1.00 0.55 C ATOM 541 CG GLN A 37 3.356 2.363 9.521 1.00 0.78 C ATOM 542 CD GLN A 37 3.030 0.909 9.864 1.00 0.79 C ATOM 543 OE1 GLN A 37 1.924 0.600 10.259 1.00 1.24 O ATOM 544 NE2 GLN A 37 3.953 -0.003 9.729 1.00 1.47 N ATOM 0 H GLN A 37 3.445 5.152 8.800 1.00 0.45 H new ATOM 0 HA GLN A 37 5.876 4.562 10.354 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.431 2.028 10.028 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.507 2.809 11.296 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.541 3.014 9.838 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.456 2.480 8.442 1.00 0.78 H new ATOM 0 HE21 GLN A 37 4.882 0.257 9.397 1.00 1.47 H new ATOM 0 HE22 GLN A 37 3.746 -0.976 9.955 1.00 1.47 H new ATOM 553 N PRO A 38 6.257 5.046 7.753 1.00 0.34 N ATOM 554 CA PRO A 38 6.884 4.992 6.417 1.00 0.26 C ATOM 555 C PRO A 38 8.140 4.110 6.490 1.00 0.25 C ATOM 556 O PRO A 38 8.500 3.606 7.536 1.00 0.27 O ATOM 557 CB PRO A 38 7.250 6.460 6.094 1.00 0.33 C ATOM 558 CG PRO A 38 6.962 7.305 7.370 1.00 0.43 C ATOM 559 CD PRO A 38 6.303 6.370 8.410 1.00 0.43 C ATOM 0 HA PRO A 38 6.235 4.568 5.651 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.299 6.540 5.810 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.663 6.825 5.251 1.00 0.33 H new ATOM 0 HG2 PRO A 38 7.885 7.728 7.766 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.303 8.141 7.135 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.883 6.334 9.332 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.304 6.715 8.675 1.00 0.43 H new ATOM 567 N ALA A 39 8.806 3.932 5.388 1.00 0.23 N ATOM 568 CA ALA A 39 10.034 3.100 5.369 1.00 0.22 C ATOM 569 C ALA A 39 10.712 3.290 4.017 1.00 0.19 C ATOM 570 O ALA A 39 10.139 3.862 3.110 1.00 0.22 O ATOM 571 CB ALA A 39 9.664 1.628 5.553 1.00 0.23 C ATOM 0 H ALA A 39 8.547 4.334 4.487 1.00 0.23 H new ATOM 0 HA ALA A 39 10.703 3.397 6.176 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.569 1.021 5.538 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.155 1.497 6.508 1.00 0.23 H new ATOM 0 HB3 ALA A 39 9.004 1.315 4.744 1.00 0.23 H new ATOM 577 N VAL A 40 11.911 2.799 3.854 1.00 0.15 N ATOM 578 CA VAL A 40 12.599 2.937 2.536 1.00 0.13 C ATOM 579 C VAL A 40 12.411 1.626 1.779 1.00 0.13 C ATOM 580 O VAL A 40 12.399 0.560 2.364 1.00 0.18 O ATOM 581 CB VAL A 40 14.094 3.215 2.749 1.00 0.12 C ATOM 582 CG1 VAL A 40 14.863 2.957 1.450 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.278 4.677 3.153 1.00 0.16 C ATOM 0 H VAL A 40 12.443 2.310 4.573 1.00 0.15 H new ATOM 0 HA VAL A 40 12.179 3.768 1.970 1.00 0.13 H new ATOM 0 HB VAL A 40 14.474 2.558 3.531 1.00 0.12 H new ATOM 0 HG11 VAL A 40 15.923 3.156 1.609 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.730 1.918 1.149 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.484 3.613 0.666 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.338 4.882 3.306 1.00 0.16 H new ATOM 0 HG22 VAL A 40 13.894 5.324 2.364 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.734 4.870 4.078 1.00 0.16 H new ATOM 593 N VAL A 41 12.251 1.703 0.485 1.00 0.15 N ATOM 594 CA VAL A 41 12.043 0.468 -0.336 1.00 0.16 C ATOM 595 C VAL A 41 13.156 0.355 -1.379 1.00 0.16 C ATOM 596 O VAL A 41 13.297 1.194 -2.240 1.00 0.18 O ATOM 597 CB VAL A 41 10.678 0.557 -1.026 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.243 -0.830 -1.493 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.647 1.097 -0.031 1.00 0.23 C ATOM 0 H VAL A 41 12.255 2.574 -0.045 1.00 0.15 H new ATOM 0 HA VAL A 41 12.070 -0.415 0.302 1.00 0.16 H new ATOM 0 HB VAL A 41 10.751 1.222 -1.887 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.272 -0.761 -1.983 1.00 0.25 H new ATOM 0 HG12 VAL A 41 10.977 -1.224 -2.196 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.169 -1.497 -0.634 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.673 1.163 -0.516 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.581 0.426 0.825 1.00 0.23 H new ATOM 0 HG23 VAL A 41 9.952 2.087 0.307 1.00 0.23 H new ATOM 609 N PHE A 42 13.958 -0.673 -1.308 1.00 0.15 N ATOM 610 CA PHE A 42 15.069 -0.821 -2.294 1.00 0.17 C ATOM 611 C PHE A 42 14.586 -1.593 -3.524 1.00 0.21 C ATOM 612 O PHE A 42 13.948 -2.621 -3.421 1.00 0.23 O ATOM 613 CB PHE A 42 16.230 -1.592 -1.652 1.00 0.16 C ATOM 614 CG PHE A 42 16.993 -0.688 -0.709 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.684 0.433 -1.213 1.00 0.14 C ATOM 616 CD2 PHE A 42 17.023 -0.969 0.671 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.399 1.271 -0.338 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.741 -0.132 1.544 1.00 0.14 C ATOM 619 CZ PHE A 42 18.429 0.989 1.040 1.00 0.14 C ATOM 0 H PHE A 42 13.893 -1.416 -0.612 1.00 0.15 H new ATOM 0 HA PHE A 42 15.401 0.173 -2.595 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.847 -2.457 -1.110 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.898 -1.971 -2.426 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.664 0.648 -2.271 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.495 -1.827 1.059 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.925 2.131 -0.724 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.765 -0.349 2.602 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.979 1.632 1.711 1.00 0.14 H new ATOM 629 N GLN A 43 14.917 -1.106 -4.690 1.00 0.24 N ATOM 630 CA GLN A 43 14.523 -1.800 -5.949 1.00 0.28 C ATOM 631 C GLN A 43 15.723 -2.631 -6.408 1.00 0.30 C ATOM 632 O GLN A 43 16.803 -2.105 -6.596 1.00 0.30 O ATOM 633 CB GLN A 43 14.169 -0.750 -7.004 1.00 0.32 C ATOM 634 CG GLN A 43 12.909 0.001 -6.571 1.00 0.32 C ATOM 635 CD GLN A 43 12.726 1.241 -7.450 1.00 0.58 C ATOM 636 OE1 GLN A 43 12.469 2.319 -6.953 1.00 1.29 O ATOM 637 NE2 GLN A 43 12.849 1.131 -8.744 1.00 1.31 N ATOM 0 H GLN A 43 15.450 -0.247 -4.824 1.00 0.24 H new ATOM 0 HA GLN A 43 13.658 -2.445 -5.796 1.00 0.28 H new ATOM 0 HB2 GLN A 43 14.997 -0.052 -7.130 1.00 0.32 H new ATOM 0 HB3 GLN A 43 14.006 -1.229 -7.969 1.00 0.32 H new ATOM 0 HG2 GLN A 43 12.038 -0.649 -6.655 1.00 0.32 H new ATOM 0 HG3 GLN A 43 12.989 0.293 -5.524 1.00 0.32 H new ATOM 0 HE21 GLN A 43 13.065 0.225 -9.161 1.00 1.31 H new ATOM 0 HE22 GLN A 43 12.729 1.951 -9.339 1.00 1.31 H new ATOM 646 N THR A 44 15.571 -3.930 -6.547 1.00 0.32 N ATOM 647 CA THR A 44 16.749 -4.779 -6.942 1.00 0.34 C ATOM 648 C THR A 44 16.751 -5.088 -8.438 1.00 0.39 C ATOM 649 O THR A 44 15.975 -4.558 -9.208 1.00 0.41 O ATOM 650 CB THR A 44 16.709 -6.094 -6.167 1.00 0.34 C ATOM 651 OG1 THR A 44 15.801 -6.984 -6.798 1.00 0.38 O ATOM 652 CG2 THR A 44 16.254 -5.828 -4.731 1.00 0.29 C ATOM 0 H THR A 44 14.696 -4.435 -6.407 1.00 0.32 H new ATOM 0 HA THR A 44 17.654 -4.219 -6.707 1.00 0.34 H new ATOM 0 HB THR A 44 17.704 -6.540 -6.152 1.00 0.34 H new ATOM 0 HG1 THR A 44 15.986 -7.901 -6.506 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.226 -6.767 -4.178 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.953 -5.144 -4.249 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.259 -5.383 -4.741 1.00 0.29 H new ATOM 660 N LYS A 45 17.653 -5.948 -8.843 1.00 0.43 N ATOM 661 CA LYS A 45 17.777 -6.327 -10.280 1.00 0.48 C ATOM 662 C LYS A 45 17.036 -7.644 -10.553 1.00 0.51 C ATOM 663 O LYS A 45 16.739 -7.964 -11.687 1.00 0.56 O ATOM 664 CB LYS A 45 19.263 -6.510 -10.612 1.00 0.50 C ATOM 665 CG LYS A 45 20.077 -5.389 -9.964 1.00 0.46 C ATOM 666 CD LYS A 45 21.538 -5.501 -10.402 1.00 0.49 C ATOM 667 CE LYS A 45 22.289 -4.227 -10.010 1.00 0.54 C ATOM 668 NZ LYS A 45 23.671 -4.274 -10.566 1.00 1.55 N ATOM 0 H LYS A 45 18.320 -6.410 -8.225 1.00 0.43 H new ATOM 0 HA LYS A 45 17.339 -5.543 -10.898 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.609 -7.479 -10.252 1.00 0.50 H new ATOM 0 HB3 LYS A 45 19.408 -6.500 -11.692 1.00 0.50 H new ATOM 0 HG2 LYS A 45 19.673 -4.418 -10.252 1.00 0.46 H new ATOM 0 HG3 LYS A 45 20.006 -5.454 -8.878 1.00 0.46 H new ATOM 0 HD2 LYS A 45 22.003 -6.368 -9.934 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.595 -5.652 -11.480 1.00 0.49 H new ATOM 0 HE2 LYS A 45 21.763 -3.351 -10.389 1.00 0.54 H new ATOM 0 HE3 LYS A 45 22.325 -4.133 -8.925 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 24.304 -3.702 -9.971 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 24.006 -5.259 -10.581 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 23.669 -3.894 -11.534 1.00 1.55 H new ATOM 682 N ARG A 46 16.743 -8.417 -9.530 1.00 0.50 N ATOM 683 CA ARG A 46 16.030 -9.720 -9.748 1.00 0.54 C ATOM 684 C ARG A 46 14.927 -9.865 -8.693 1.00 0.49 C ATOM 685 O ARG A 46 14.852 -10.839 -7.974 1.00 0.48 O ATOM 686 CB ARG A 46 17.041 -10.879 -9.626 1.00 0.59 C ATOM 687 CG ARG A 46 16.547 -12.133 -10.380 1.00 0.72 C ATOM 688 CD ARG A 46 15.437 -12.847 -9.599 1.00 0.92 C ATOM 689 NE ARG A 46 15.272 -14.228 -10.134 1.00 1.48 N ATOM 690 CZ ARG A 46 14.610 -15.117 -9.446 1.00 2.13 C ATOM 691 NH1 ARG A 46 14.086 -14.795 -8.295 1.00 2.62 N ATOM 692 NH2 ARG A 46 14.470 -16.329 -9.909 1.00 2.82 N ATOM 0 H ARG A 46 16.966 -8.203 -8.558 1.00 0.50 H new ATOM 0 HA ARG A 46 15.583 -9.744 -10.742 1.00 0.54 H new ATOM 0 HB2 ARG A 46 18.006 -10.567 -10.026 1.00 0.59 H new ATOM 0 HB3 ARG A 46 17.196 -11.121 -8.575 1.00 0.59 H new ATOM 0 HG2 ARG A 46 16.177 -11.847 -11.364 1.00 0.72 H new ATOM 0 HG3 ARG A 46 17.381 -12.817 -10.540 1.00 0.72 H new ATOM 0 HD2 ARG A 46 15.687 -12.882 -8.539 1.00 0.92 H new ATOM 0 HD3 ARG A 46 14.501 -12.296 -9.688 1.00 0.92 H new ATOM 0 HE ARG A 46 15.676 -14.478 -11.037 1.00 1.48 H new ATOM 0 HH11 ARG A 46 14.194 -13.848 -7.933 1.00 2.62 H new ATOM 0 HH12 ARG A 46 13.569 -15.491 -7.758 1.00 2.62 H new ATOM 0 HH21 ARG A 46 14.878 -16.581 -10.809 1.00 2.82 H new ATOM 0 HH22 ARG A 46 13.952 -17.024 -9.371 1.00 2.82 H new ATOM 706 N SER A 47 14.064 -8.894 -8.605 1.00 0.46 N ATOM 707 CA SER A 47 12.951 -8.952 -7.626 1.00 0.42 C ATOM 708 C SER A 47 11.974 -7.834 -7.980 1.00 0.42 C ATOM 709 O SER A 47 11.436 -7.787 -9.069 1.00 0.46 O ATOM 710 CB SER A 47 13.482 -8.772 -6.195 1.00 0.38 C ATOM 711 OG SER A 47 14.637 -9.580 -6.014 1.00 1.07 O ATOM 0 H SER A 47 14.085 -8.051 -9.179 1.00 0.46 H new ATOM 0 HA SER A 47 12.454 -9.921 -7.669 1.00 0.42 H new ATOM 0 HB2 SER A 47 13.726 -7.725 -6.015 1.00 0.38 H new ATOM 0 HB3 SER A 47 12.714 -9.049 -5.473 1.00 0.38 H new ATOM 0 HG SER A 47 14.506 -10.443 -6.459 1.00 1.07 H new ATOM 717 N LYS A 48 11.762 -6.925 -7.087 1.00 0.38 N ATOM 718 CA LYS A 48 10.849 -5.789 -7.365 1.00 0.40 C ATOM 719 C LYS A 48 11.224 -4.664 -6.417 1.00 0.35 C ATOM 720 O LYS A 48 12.082 -3.850 -6.700 1.00 0.34 O ATOM 721 CB LYS A 48 9.395 -6.204 -7.117 1.00 0.44 C ATOM 722 CG LYS A 48 8.947 -7.204 -8.188 1.00 1.11 C ATOM 723 CD LYS A 48 7.422 -7.328 -8.167 1.00 1.38 C ATOM 724 CE LYS A 48 6.970 -8.274 -9.281 1.00 2.13 C ATOM 725 NZ LYS A 48 5.481 -8.278 -9.356 1.00 2.73 N ATOM 0 H LYS A 48 12.187 -6.917 -6.160 1.00 0.38 H new ATOM 0 HA LYS A 48 10.941 -5.474 -8.404 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.299 -6.651 -6.127 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.749 -5.326 -7.134 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.282 -6.874 -9.171 1.00 1.11 H new ATOM 0 HG3 LYS A 48 9.404 -8.177 -8.006 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.091 -7.705 -7.199 1.00 1.38 H new ATOM 0 HD3 LYS A 48 6.965 -6.347 -8.301 1.00 1.38 H new ATOM 0 HE2 LYS A 48 7.392 -7.958 -10.235 1.00 2.13 H new ATOM 0 HE3 LYS A 48 7.338 -9.282 -9.088 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 5.173 -8.921 -10.113 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 5.089 -8.599 -8.448 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 5.141 -7.316 -9.559 1.00 2.73 H new ATOM 739 N GLN A 49 10.600 -4.642 -5.272 1.00 0.33 N ATOM 740 CA GLN A 49 10.903 -3.602 -4.249 1.00 0.30 C ATOM 741 C GLN A 49 11.005 -4.306 -2.889 1.00 0.25 C ATOM 742 O GLN A 49 10.278 -5.243 -2.614 1.00 0.26 O ATOM 743 CB GLN A 49 9.778 -2.537 -4.239 1.00 0.35 C ATOM 744 CG GLN A 49 8.966 -2.618 -5.536 1.00 0.82 C ATOM 745 CD GLN A 49 7.962 -1.465 -5.584 1.00 0.89 C ATOM 746 OE1 GLN A 49 8.102 -0.493 -4.870 1.00 1.53 O ATOM 747 NE2 GLN A 49 6.948 -1.533 -6.403 1.00 1.52 N ATOM 0 H GLN A 49 9.881 -5.312 -4.998 1.00 0.33 H new ATOM 0 HA GLN A 49 11.840 -3.092 -4.473 1.00 0.30 H new ATOM 0 HB2 GLN A 49 9.125 -2.695 -3.381 1.00 0.35 H new ATOM 0 HB3 GLN A 49 10.209 -1.542 -4.132 1.00 0.35 H new ATOM 0 HG2 GLN A 49 9.632 -2.570 -6.398 1.00 0.82 H new ATOM 0 HG3 GLN A 49 8.442 -3.572 -5.590 1.00 0.82 H new ATOM 0 HE21 GLN A 49 6.831 -2.350 -7.003 1.00 1.52 H new ATOM 0 HE22 GLN A 49 6.273 -0.769 -6.443 1.00 1.52 H new ATOM 756 N VAL A 50 11.912 -3.879 -2.045 1.00 0.23 N ATOM 757 CA VAL A 50 12.077 -4.532 -0.707 1.00 0.19 C ATOM 758 C VAL A 50 12.066 -3.469 0.382 1.00 0.16 C ATOM 759 O VAL A 50 12.835 -2.533 0.352 1.00 0.15 O ATOM 760 CB VAL A 50 13.412 -5.285 -0.673 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.432 -6.234 0.526 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.576 -6.083 -1.973 1.00 0.31 C ATOM 0 H VAL A 50 12.549 -3.103 -2.225 1.00 0.23 H new ATOM 0 HA VAL A 50 11.258 -5.231 -0.538 1.00 0.19 H new ATOM 0 HB VAL A 50 14.233 -4.574 -0.579 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.381 -6.770 0.550 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.315 -5.661 1.446 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.614 -6.949 0.438 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.524 -6.620 -1.953 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.757 -6.796 -2.068 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.563 -5.401 -2.823 1.00 0.31 H new ATOM 772 N CYS A 51 11.203 -3.615 1.348 1.00 0.16 N ATOM 773 CA CYS A 51 11.131 -2.612 2.443 1.00 0.15 C ATOM 774 C CYS A 51 12.356 -2.760 3.341 1.00 0.14 C ATOM 775 O CYS A 51 12.897 -3.836 3.500 1.00 0.16 O ATOM 776 CB CYS A 51 9.863 -2.857 3.262 1.00 0.17 C ATOM 777 SG CYS A 51 8.409 -2.608 2.213 1.00 0.21 S ATOM 0 H CYS A 51 10.543 -4.389 1.425 1.00 0.16 H new ATOM 0 HA CYS A 51 11.107 -1.606 2.025 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.866 -3.871 3.663 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.831 -2.178 4.114 1.00 0.17 H new ATOM 782 N ALA A 52 12.806 -1.678 3.921 1.00 0.12 N ATOM 783 CA ALA A 52 14.010 -1.738 4.804 1.00 0.13 C ATOM 784 C ALA A 52 13.819 -0.802 5.997 1.00 0.15 C ATOM 785 O ALA A 52 13.367 0.320 5.856 1.00 0.15 O ATOM 786 CB ALA A 52 15.240 -1.294 4.009 1.00 0.11 C ATOM 0 H ALA A 52 12.390 -0.752 3.821 1.00 0.12 H new ATOM 0 HA ALA A 52 14.147 -2.759 5.161 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.121 -1.336 4.649 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.380 -1.957 3.155 1.00 0.11 H new ATOM 0 HB3 ALA A 52 15.096 -0.273 3.656 1.00 0.11 H new ATOM 792 N ASP A 53 14.158 -1.258 7.172 1.00 0.18 N ATOM 793 CA ASP A 53 14.000 -0.404 8.384 1.00 0.22 C ATOM 794 C ASP A 53 15.007 0.771 8.318 1.00 0.21 C ATOM 795 O ASP A 53 16.196 0.525 8.323 1.00 0.22 O ATOM 796 CB ASP A 53 14.307 -1.247 9.624 1.00 0.27 C ATOM 797 CG ASP A 53 13.954 -0.451 10.883 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.863 0.761 10.787 1.00 2.10 O ATOM 799 OD2 ASP A 53 13.778 -1.069 11.920 1.00 2.17 O ATOM 0 H ASP A 53 14.539 -2.188 7.345 1.00 0.18 H new ATOM 0 HA ASP A 53 12.983 -0.016 8.432 1.00 0.22 H new ATOM 0 HB2 ASP A 53 13.736 -2.175 9.596 1.00 0.27 H new ATOM 0 HB3 ASP A 53 15.362 -1.521 9.638 1.00 0.27 H new ATOM 804 N PRO A 54 14.544 2.016 8.258 1.00 0.22 N ATOM 805 CA PRO A 54 15.476 3.162 8.193 1.00 0.24 C ATOM 806 C PRO A 54 16.361 3.195 9.449 1.00 0.28 C ATOM 807 O PRO A 54 17.280 3.984 9.551 1.00 0.30 O ATOM 808 CB PRO A 54 14.571 4.414 8.122 1.00 0.27 C ATOM 809 CG PRO A 54 13.093 3.930 8.148 1.00 0.27 C ATOM 810 CD PRO A 54 13.109 2.388 8.245 1.00 0.24 C ATOM 0 HA PRO A 54 16.148 3.103 7.337 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.771 5.079 8.962 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.772 4.980 7.213 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.563 4.362 8.997 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.569 4.252 7.248 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.605 2.045 9.148 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.592 1.935 7.399 1.00 0.24 H new ATOM 818 N SER A 55 16.079 2.358 10.405 1.00 0.31 N ATOM 819 CA SER A 55 16.890 2.354 11.656 1.00 0.36 C ATOM 820 C SER A 55 18.231 1.656 11.408 1.00 0.36 C ATOM 821 O SER A 55 19.170 1.822 12.160 1.00 0.40 O ATOM 822 CB SER A 55 16.127 1.612 12.752 1.00 0.40 C ATOM 823 OG SER A 55 16.840 1.719 13.977 1.00 1.42 O ATOM 0 H SER A 55 15.322 1.675 10.376 1.00 0.31 H new ATOM 0 HA SER A 55 17.074 3.382 11.967 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.127 2.031 12.862 1.00 0.40 H new ATOM 0 HB3 SER A 55 16.005 0.564 12.480 1.00 0.40 H new ATOM 0 HG SER A 55 16.352 1.245 14.682 1.00 1.42 H new ATOM 829 N GLU A 56 18.333 0.880 10.363 1.00 0.33 N ATOM 830 CA GLU A 56 19.622 0.184 10.080 1.00 0.34 C ATOM 831 C GLU A 56 20.574 1.154 9.370 1.00 0.33 C ATOM 832 O GLU A 56 20.294 1.658 8.299 1.00 0.29 O ATOM 833 CB GLU A 56 19.361 -1.036 9.196 1.00 0.31 C ATOM 834 CG GLU A 56 18.840 -2.195 10.051 1.00 0.35 C ATOM 835 CD GLU A 56 18.377 -3.333 9.140 1.00 1.30 C ATOM 836 OE1 GLU A 56 17.527 -3.086 8.300 1.00 2.08 O ATOM 837 OE2 GLU A 56 18.880 -4.434 9.298 1.00 2.01 O ATOM 0 H GLU A 56 17.584 0.698 9.695 1.00 0.33 H new ATOM 0 HA GLU A 56 20.076 -0.146 11.014 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.634 -0.787 8.423 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.279 -1.331 8.688 1.00 0.31 H new ATOM 0 HG2 GLU A 56 19.624 -2.548 10.721 1.00 0.35 H new ATOM 0 HG3 GLU A 56 18.014 -1.857 10.677 1.00 0.35 H new ATOM 844 N SER A 57 21.689 1.426 9.981 1.00 0.37 N ATOM 845 CA SER A 57 22.679 2.371 9.393 1.00 0.38 C ATOM 846 C SER A 57 22.993 2.021 7.934 1.00 0.35 C ATOM 847 O SER A 57 23.159 2.898 7.109 1.00 0.34 O ATOM 848 CB SER A 57 23.970 2.317 10.210 1.00 0.44 C ATOM 849 OG SER A 57 25.030 2.885 9.451 1.00 1.37 O ATOM 0 H SER A 57 21.963 1.027 10.879 1.00 0.37 H new ATOM 0 HA SER A 57 22.250 3.373 9.418 1.00 0.38 H new ATOM 0 HB2 SER A 57 23.845 2.862 11.146 1.00 0.44 H new ATOM 0 HB3 SER A 57 24.206 1.285 10.471 1.00 0.44 H new ATOM 0 HG SER A 57 25.859 2.853 9.972 1.00 1.37 H new ATOM 855 N TRP A 58 23.103 0.764 7.602 1.00 0.34 N ATOM 856 CA TRP A 58 23.437 0.418 6.191 1.00 0.32 C ATOM 857 C TRP A 58 22.349 0.945 5.262 1.00 0.27 C ATOM 858 O TRP A 58 22.610 1.307 4.133 1.00 0.27 O ATOM 859 CB TRP A 58 23.624 -1.099 6.031 1.00 0.34 C ATOM 860 CG TRP A 58 22.315 -1.825 5.990 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.818 -2.569 7.005 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.353 -1.927 4.898 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.614 -3.123 6.609 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.278 -2.752 5.324 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.302 -1.389 3.591 1.00 0.27 C ATOM 866 CZ2 TRP A 58 19.191 -3.036 4.486 1.00 0.25 C ATOM 867 CZ3 TRP A 58 20.210 -1.673 2.742 1.00 0.27 C ATOM 868 CH2 TRP A 58 19.155 -2.493 3.192 1.00 0.26 C ATOM 0 H TRP A 58 22.979 -0.027 8.234 1.00 0.34 H new ATOM 0 HA TRP A 58 24.381 0.892 5.921 1.00 0.32 H new ATOM 0 HB2 TRP A 58 24.179 -1.301 5.115 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.224 -1.479 6.858 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.286 -2.708 7.969 1.00 0.32 H new ATOM 0 HE1 TRP A 58 20.044 -3.732 7.196 1.00 0.29 H new ATOM 0 HE3 TRP A 58 22.104 -0.757 3.240 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.387 -3.668 4.833 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 20.183 -1.261 1.744 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.319 -2.703 2.541 1.00 0.26 H new ATOM 879 N VAL A 59 21.139 1.025 5.728 1.00 0.24 N ATOM 880 CA VAL A 59 20.059 1.556 4.860 1.00 0.20 C ATOM 881 C VAL A 59 20.351 3.022 4.574 1.00 0.22 C ATOM 882 O VAL A 59 20.292 3.470 3.447 1.00 0.21 O ATOM 883 CB VAL A 59 18.719 1.420 5.578 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.603 2.018 4.718 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.449 -0.063 5.822 1.00 0.19 C ATOM 0 H VAL A 59 20.852 0.748 6.667 1.00 0.24 H new ATOM 0 HA VAL A 59 20.014 0.999 3.924 1.00 0.20 H new ATOM 0 HB VAL A 59 18.749 1.955 6.527 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.650 1.917 5.237 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.808 3.073 4.538 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.555 1.490 3.766 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.494 -0.179 6.335 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.415 -0.588 4.868 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.245 -0.481 6.438 1.00 0.19 H new ATOM 895 N GLN A 60 20.688 3.769 5.582 1.00 0.25 N ATOM 896 CA GLN A 60 21.009 5.206 5.357 1.00 0.28 C ATOM 897 C GLN A 60 22.260 5.305 4.480 1.00 0.30 C ATOM 898 O GLN A 60 22.376 6.173 3.637 1.00 0.31 O ATOM 899 CB GLN A 60 21.266 5.892 6.700 1.00 0.33 C ATOM 900 CG GLN A 60 19.984 5.872 7.535 1.00 1.25 C ATOM 901 CD GLN A 60 18.995 6.898 6.979 1.00 1.65 C ATOM 902 OE1 GLN A 60 17.953 6.540 6.468 1.00 2.33 O ATOM 903 NE2 GLN A 60 19.278 8.170 7.058 1.00 2.14 N ATOM 0 H GLN A 60 20.756 3.452 6.549 1.00 0.25 H new ATOM 0 HA GLN A 60 20.172 5.697 4.861 1.00 0.28 H new ATOM 0 HB2 GLN A 60 22.068 5.382 7.233 1.00 0.33 H new ATOM 0 HB3 GLN A 60 21.592 6.920 6.539 1.00 0.33 H new ATOM 0 HG2 GLN A 60 19.541 4.876 7.516 1.00 1.25 H new ATOM 0 HG3 GLN A 60 20.212 6.099 8.576 1.00 1.25 H new ATOM 0 HE21 GLN A 60 20.153 8.472 7.487 1.00 2.14 H new ATOM 0 HE22 GLN A 60 18.624 8.862 6.691 1.00 2.14 H new ATOM 912 N GLU A 61 23.198 4.419 4.677 1.00 0.31 N ATOM 913 CA GLU A 61 24.449 4.449 3.864 1.00 0.33 C ATOM 914 C GLU A 61 24.127 4.153 2.397 1.00 0.31 C ATOM 915 O GLU A 61 24.530 4.872 1.505 1.00 0.32 O ATOM 916 CB GLU A 61 25.425 3.396 4.393 1.00 0.35 C ATOM 917 CG GLU A 61 26.807 3.626 3.778 1.00 0.40 C ATOM 918 CD GLU A 61 27.437 4.877 4.393 1.00 1.29 C ATOM 919 OE1 GLU A 61 27.872 4.801 5.529 1.00 1.99 O ATOM 920 OE2 GLU A 61 27.475 5.891 3.715 1.00 2.03 O ATOM 0 H GLU A 61 23.152 3.672 5.370 1.00 0.31 H new ATOM 0 HA GLU A 61 24.900 5.439 3.938 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.485 3.454 5.480 1.00 0.35 H new ATOM 0 HB3 GLU A 61 25.067 2.396 4.146 1.00 0.35 H new ATOM 0 HG2 GLU A 61 27.445 2.760 3.956 1.00 0.40 H new ATOM 0 HG3 GLU A 61 26.721 3.743 2.698 1.00 0.40 H new ATOM 927 N TYR A 62 23.405 3.098 2.142 1.00 0.28 N ATOM 928 CA TYR A 62 23.059 2.751 0.732 1.00 0.28 C ATOM 929 C TYR A 62 22.237 3.887 0.116 1.00 0.28 C ATOM 930 O TYR A 62 22.356 4.186 -1.055 1.00 0.30 O ATOM 931 CB TYR A 62 22.244 1.447 0.703 1.00 0.25 C ATOM 932 CG TYR A 62 23.163 0.239 0.768 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.142 0.134 1.779 1.00 0.29 C ATOM 934 CD2 TYR A 62 23.035 -0.790 -0.189 1.00 0.27 C ATOM 935 CE1 TYR A 62 24.986 -0.993 1.830 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.881 -1.915 -0.136 1.00 0.29 C ATOM 937 CZ TYR A 62 24.855 -2.016 0.873 1.00 0.31 C ATOM 938 OH TYR A 62 25.683 -3.118 0.924 1.00 0.34 O ATOM 0 H TYR A 62 23.039 2.460 2.848 1.00 0.28 H new ATOM 0 HA TYR A 62 23.975 2.612 0.158 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.549 1.428 1.543 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.645 1.406 -0.207 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.244 0.918 2.514 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.287 -0.715 -0.964 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.734 -1.072 2.605 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.781 -2.700 -0.871 1.00 0.29 H new ATOM 0 HH TYR A 62 25.459 -3.729 0.192 1.00 0.34 H new ATOM 948 N VAL A 63 21.415 4.530 0.895 1.00 0.27 N ATOM 949 CA VAL A 63 20.605 5.650 0.352 1.00 0.28 C ATOM 950 C VAL A 63 21.559 6.761 -0.061 1.00 0.32 C ATOM 951 O VAL A 63 21.392 7.397 -1.082 1.00 0.34 O ATOM 952 CB VAL A 63 19.645 6.153 1.437 1.00 0.28 C ATOM 953 CG1 VAL A 63 19.037 7.497 1.023 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.523 5.129 1.634 1.00 0.25 C ATOM 0 H VAL A 63 21.270 4.327 1.884 1.00 0.27 H new ATOM 0 HA VAL A 63 20.019 5.324 -0.507 1.00 0.28 H new ATOM 0 HB VAL A 63 20.197 6.284 2.368 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.357 7.844 1.801 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.833 8.229 0.884 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.488 7.376 0.089 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.838 5.483 2.405 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.980 5.000 0.698 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.951 4.174 1.940 1.00 0.25 H new ATOM 964 N TYR A 64 22.566 6.988 0.728 1.00 0.34 N ATOM 965 CA TYR A 64 23.547 8.049 0.396 1.00 0.38 C ATOM 966 C TYR A 64 24.254 7.684 -0.907 1.00 0.38 C ATOM 967 O TYR A 64 24.468 8.512 -1.768 1.00 0.41 O ATOM 968 CB TYR A 64 24.575 8.155 1.527 1.00 0.41 C ATOM 969 CG TYR A 64 25.296 9.481 1.443 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.655 10.660 1.870 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.610 9.540 0.939 1.00 0.49 C ATOM 972 CE1 TYR A 64 25.325 11.895 1.793 1.00 0.52 C ATOM 973 CE2 TYR A 64 27.281 10.776 0.861 1.00 0.54 C ATOM 974 CZ TYR A 64 26.638 11.953 1.289 1.00 0.55 C ATOM 975 OH TYR A 64 27.296 13.164 1.214 1.00 0.60 O ATOM 0 H TYR A 64 22.752 6.481 1.593 1.00 0.34 H new ATOM 0 HA TYR A 64 23.037 9.005 0.279 1.00 0.38 H new ATOM 0 HB2 TYR A 64 24.078 8.062 2.492 1.00 0.41 H new ATOM 0 HB3 TYR A 64 25.291 7.336 1.457 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.648 10.616 2.257 1.00 0.48 H new ATOM 0 HD2 TYR A 64 27.103 8.637 0.612 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.832 12.798 2.121 1.00 0.52 H new ATOM 0 HE2 TYR A 64 28.288 10.821 0.473 1.00 0.54 H new ATOM 0 HH TYR A 64 28.193 13.027 0.844 1.00 0.60 H new ATOM 985 N ASP A 65 24.619 6.444 -1.046 1.00 0.36 N ATOM 986 CA ASP A 65 25.320 5.999 -2.283 1.00 0.37 C ATOM 987 C ASP A 65 24.410 6.213 -3.495 1.00 0.37 C ATOM 988 O ASP A 65 24.861 6.538 -4.575 1.00 0.40 O ATOM 989 CB ASP A 65 25.665 4.512 -2.154 1.00 0.35 C ATOM 990 CG ASP A 65 26.903 4.342 -1.270 1.00 0.39 C ATOM 991 OD1 ASP A 65 26.884 4.838 -0.157 1.00 1.11 O ATOM 992 OD2 ASP A 65 27.849 3.719 -1.725 1.00 1.15 O ATOM 0 H ASP A 65 24.462 5.713 -0.352 1.00 0.36 H new ATOM 0 HA ASP A 65 26.234 6.578 -2.416 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.823 3.970 -1.724 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.849 4.085 -3.140 1.00 0.35 H new ATOM 997 N LEU A 66 23.133 6.032 -3.321 1.00 0.33 N ATOM 998 CA LEU A 66 22.187 6.219 -4.456 1.00 0.34 C ATOM 999 C LEU A 66 22.059 7.712 -4.774 1.00 0.39 C ATOM 1000 O LEU A 66 21.828 8.099 -5.902 1.00 0.42 O ATOM 1001 CB LEU A 66 20.820 5.646 -4.058 1.00 0.31 C ATOM 1002 CG LEU A 66 20.811 4.113 -4.239 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.715 3.495 -3.368 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.527 3.749 -5.707 1.00 0.30 C ATOM 0 H LEU A 66 22.700 5.761 -2.438 1.00 0.33 H new ATOM 0 HA LEU A 66 22.556 5.701 -5.341 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.600 5.898 -3.021 1.00 0.31 H new ATOM 0 HB3 LEU A 66 20.037 6.096 -4.668 1.00 0.31 H new ATOM 0 HG LEU A 66 21.788 3.728 -3.947 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.713 2.413 -3.499 1.00 0.24 H new ATOM 0 HD12 LEU A 66 19.905 3.733 -2.321 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.746 3.898 -3.662 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.524 2.665 -5.819 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.555 4.147 -5.999 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.301 4.177 -6.344 1.00 0.30 H new ATOM 1016 N GLU A 67 22.214 8.550 -3.791 1.00 0.40 N ATOM 1017 CA GLU A 67 22.110 10.017 -4.038 1.00 0.45 C ATOM 1018 C GLU A 67 23.350 10.484 -4.795 1.00 0.50 C ATOM 1019 O GLU A 67 23.317 11.450 -5.533 1.00 0.55 O ATOM 1020 CB GLU A 67 22.029 10.755 -2.702 1.00 0.46 C ATOM 1021 CG GLU A 67 20.663 10.503 -2.071 1.00 0.44 C ATOM 1022 CD GLU A 67 20.517 11.353 -0.807 1.00 1.13 C ATOM 1023 OE1 GLU A 67 20.802 12.537 -0.877 1.00 1.81 O ATOM 1024 OE2 GLU A 67 20.123 10.804 0.210 1.00 1.88 O ATOM 0 H GLU A 67 22.408 8.285 -2.825 1.00 0.40 H new ATOM 0 HA GLU A 67 21.216 10.227 -4.624 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.820 10.412 -2.035 1.00 0.46 H new ATOM 0 HB3 GLU A 67 22.181 11.824 -2.854 1.00 0.46 H new ATOM 0 HG2 GLU A 67 19.873 10.749 -2.780 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.554 9.447 -1.826 1.00 0.44 H new ATOM 1116 N SER B 5 10.849 -9.523 -3.832 1.00 0.44 N ATOM 1117 CA SER B 5 11.434 -9.931 -2.521 1.00 0.30 C ATOM 1118 C SER B 5 10.462 -9.571 -1.382 1.00 0.27 C ATOM 1119 O SER B 5 9.898 -10.437 -0.743 1.00 0.30 O ATOM 1120 CB SER B 5 12.790 -9.234 -2.332 1.00 0.49 C ATOM 1121 OG SER B 5 13.812 -10.222 -2.266 1.00 1.52 O ATOM 0 HA SER B 5 11.592 -11.009 -2.503 1.00 0.30 H new ATOM 0 HB2 SER B 5 12.980 -8.550 -3.159 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.783 -8.638 -1.420 1.00 0.49 H new ATOM 0 HG SER B 5 14.681 -9.786 -2.147 1.00 1.52 H new ATOM 1127 N ASP B 6 10.263 -8.304 -1.122 1.00 0.24 N ATOM 1128 CA ASP B 6 9.327 -7.902 -0.023 1.00 0.23 C ATOM 1129 C ASP B 6 8.817 -6.474 -0.269 1.00 0.21 C ATOM 1130 O ASP B 6 9.164 -5.571 0.467 1.00 0.20 O ATOM 1131 CB ASP B 6 10.063 -7.942 1.324 1.00 0.25 C ATOM 1132 CG ASP B 6 10.864 -9.240 1.436 1.00 1.26 C ATOM 1133 OD1 ASP B 6 10.291 -10.233 1.852 1.00 2.00 O ATOM 1134 OD2 ASP B 6 12.038 -9.219 1.105 1.00 2.03 O ATOM 0 H ASP B 6 10.705 -7.531 -1.620 1.00 0.24 H new ATOM 0 HA ASP B 6 8.485 -8.595 -0.005 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.729 -7.084 1.411 1.00 0.25 H new ATOM 0 HB3 ASP B 6 9.347 -7.874 2.143 1.00 0.25 H new ATOM 1139 N PRO B 7 8.012 -6.297 -1.295 1.00 0.22 N ATOM 1140 CA PRO B 7 7.467 -4.966 -1.626 1.00 0.22 C ATOM 1141 C PRO B 7 6.529 -4.484 -0.496 1.00 0.20 C ATOM 1142 O PRO B 7 6.173 -5.258 0.370 1.00 0.20 O ATOM 1143 CB PRO B 7 6.696 -5.174 -2.953 1.00 0.25 C ATOM 1144 CG PRO B 7 6.764 -6.690 -3.305 1.00 0.27 C ATOM 1145 CD PRO B 7 7.588 -7.389 -2.199 1.00 0.26 C ATOM 0 HA PRO B 7 8.240 -4.205 -1.730 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.660 -4.851 -2.849 1.00 0.25 H new ATOM 0 HB3 PRO B 7 7.137 -4.576 -3.750 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.762 -7.115 -3.363 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.229 -6.836 -4.280 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.990 -8.131 -1.670 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.448 -7.912 -2.617 1.00 0.26 H new ATOM 1153 N PRO B 8 6.148 -3.219 -0.536 1.00 0.21 N ATOM 1154 CA PRO B 8 5.246 -2.646 0.487 1.00 0.22 C ATOM 1155 C PRO B 8 3.883 -3.360 0.447 1.00 0.22 C ATOM 1156 O PRO B 8 3.766 -4.466 -0.038 1.00 0.22 O ATOM 1157 CB PRO B 8 5.108 -1.152 0.102 1.00 0.24 C ATOM 1158 CG PRO B 8 5.830 -0.955 -1.262 1.00 0.26 C ATOM 1159 CD PRO B 8 6.579 -2.268 -1.584 1.00 0.24 C ATOM 0 HA PRO B 8 5.629 -2.765 1.501 1.00 0.22 H new ATOM 0 HB2 PRO B 8 4.058 -0.871 0.025 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.553 -0.516 0.867 1.00 0.24 H new ATOM 0 HG2 PRO B 8 5.110 -0.722 -2.047 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.527 -0.119 -1.210 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.325 -2.634 -2.579 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.659 -2.122 -1.565 1.00 0.24 H new ATOM 1167 N THR B 9 2.856 -2.727 0.956 1.00 0.23 N ATOM 1168 CA THR B 9 1.505 -3.362 0.950 1.00 0.24 C ATOM 1169 C THR B 9 0.425 -2.280 0.960 1.00 0.24 C ATOM 1170 O THR B 9 0.429 -1.389 1.787 1.00 0.25 O ATOM 1171 CB THR B 9 1.350 -4.240 2.192 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.520 -5.028 2.362 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.135 -5.154 2.027 1.00 0.29 C ATOM 0 H THR B 9 2.896 -1.798 1.375 1.00 0.23 H new ATOM 0 HA THR B 9 1.399 -3.971 0.053 1.00 0.24 H new ATOM 0 HB THR B 9 1.207 -3.607 3.068 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.523 -5.419 3.261 1.00 0.26 H new ATOM 0 HG21 THR B 9 0.027 -5.779 2.914 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.762 -4.548 1.899 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.273 -5.788 1.151 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.499 -2.356 0.045 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.587 -1.341 -0.010 1.00 0.23 C ATOM 1183 C ALA B 10 -2.525 -1.520 1.184 1.00 0.22 C ATOM 1184 O ALA B 10 -3.573 -2.127 1.074 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.378 -1.525 -1.304 1.00 0.23 C ATOM 0 H ALA B 10 -0.548 -3.081 -0.671 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.152 -0.342 0.022 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.177 -0.785 -1.351 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.713 -1.396 -2.158 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.809 -2.526 -1.328 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.162 -0.985 2.322 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.030 -1.101 3.535 1.00 0.25 C ATOM 1193 C CYS B 11 -3.638 0.269 3.834 1.00 0.25 C ATOM 1194 O CYS B 11 -2.967 1.281 3.775 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.182 -1.556 4.727 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.327 -3.098 4.309 1.00 0.34 S ATOM 0 H CYS B 11 -1.294 -0.468 2.465 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.822 -1.829 3.360 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.457 -0.785 4.986 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.815 -1.705 5.602 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.904 0.317 4.145 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.544 1.630 4.438 1.00 0.24 C ATOM 1203 C CYS B 12 -5.032 2.158 5.779 1.00 0.24 C ATOM 1204 O CYS B 12 -4.824 1.409 6.712 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.065 1.461 4.503 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.693 0.998 2.869 1.00 0.24 S ATOM 0 H CYS B 12 -5.521 -0.493 4.209 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.294 2.337 3.647 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.325 0.696 5.234 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.531 2.389 4.833 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.834 3.447 5.881 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.340 4.043 7.160 1.00 0.27 C ATOM 1213 C PHE B 13 -5.523 4.680 7.891 1.00 0.24 C ATOM 1214 O PHE B 13 -5.472 4.947 9.076 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.294 5.117 6.847 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.954 6.260 6.111 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.252 6.136 4.742 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.278 7.446 6.798 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.873 7.197 4.058 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.900 8.508 6.115 1.00 0.37 C ATOM 1221 CZ PHE B 13 -5.198 8.384 4.744 1.00 0.37 C ATOM 0 H PHE B 13 -4.994 4.117 5.129 1.00 0.25 H new ATOM 0 HA PHE B 13 -3.889 3.272 7.784 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.840 5.478 7.770 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.492 4.694 6.241 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -4.004 5.226 4.216 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -4.049 7.541 7.849 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -5.101 7.102 3.007 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -5.149 9.417 6.642 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.675 9.198 4.219 1.00 0.37 H new ATOM 1231 N SER B 14 -6.592 4.921 7.182 1.00 0.21 N ATOM 1232 CA SER B 14 -7.794 5.535 7.807 1.00 0.20 C ATOM 1233 C SER B 14 -9.021 5.182 6.965 1.00 0.18 C ATOM 1234 O SER B 14 -9.042 4.181 6.278 1.00 0.17 O ATOM 1235 CB SER B 14 -7.627 7.055 7.856 1.00 0.20 C ATOM 1236 OG SER B 14 -7.465 7.552 6.534 1.00 0.25 O ATOM 0 H SER B 14 -6.683 4.716 6.187 1.00 0.21 H new ATOM 0 HA SER B 14 -7.918 5.157 8.822 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.498 7.513 8.325 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.762 7.318 8.464 1.00 0.20 H new ATOM 0 HG SER B 14 -6.542 7.405 6.240 1.00 0.25 H new ATOM 1242 N TYR B 15 -10.045 5.990 7.010 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.268 5.691 6.206 1.00 0.20 C ATOM 1244 C TYR B 15 -12.010 6.992 5.909 1.00 0.24 C ATOM 1245 O TYR B 15 -11.832 7.987 6.584 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.186 4.749 6.999 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.357 3.713 7.718 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -10.944 2.548 7.045 1.00 0.21 C ATOM 1249 CD2 TYR B 15 -10.995 3.914 9.064 1.00 0.25 C ATOM 1250 CE1 TYR B 15 -10.170 1.584 7.718 1.00 0.23 C ATOM 1251 CE2 TYR B 15 -10.221 2.950 9.737 1.00 0.28 C ATOM 1252 CZ TYR B 15 -9.808 1.784 9.064 1.00 0.27 C ATOM 1253 OH TYR B 15 -9.049 0.839 9.723 1.00 0.32 O ATOM 0 H TYR B 15 -10.089 6.843 7.567 1.00 0.19 H new ATOM 0 HA TYR B 15 -10.980 5.213 5.270 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.775 5.320 7.717 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.891 4.261 6.326 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.221 2.394 6.013 1.00 0.21 H new ATOM 0 HD2 TYR B 15 -11.311 4.808 9.580 1.00 0.25 H new ATOM 0 HE1 TYR B 15 -9.853 0.690 7.201 1.00 0.23 H new ATOM 0 HE2 TYR B 15 -9.944 3.105 10.769 1.00 0.28 H new ATOM 0 HH TYR B 15 -8.888 1.133 10.644 1.00 0.32 H new ATOM 1263 N THR B 16 -12.849 6.995 4.909 1.00 0.22 N ATOM 1264 CA THR B 16 -13.601 8.239 4.590 1.00 0.28 C ATOM 1265 C THR B 16 -14.434 8.635 5.810 1.00 0.32 C ATOM 1266 O THR B 16 -14.166 8.209 6.916 1.00 0.38 O ATOM 1267 CB THR B 16 -14.505 8.006 3.371 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.256 9.181 3.105 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.455 6.839 3.632 1.00 0.27 C ATOM 0 H THR B 16 -13.044 6.197 4.305 1.00 0.22 H new ATOM 0 HA THR B 16 -12.907 9.044 4.349 1.00 0.28 H new ATOM 0 HB THR B 16 -13.882 7.767 2.509 1.00 0.28 H new ATOM 0 HG1 THR B 16 -15.831 9.032 2.326 1.00 0.39 H new ATOM 0 HG21 THR B 16 -16.090 6.685 2.760 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.877 5.935 3.824 1.00 0.27 H new ATOM 0 HG23 THR B 16 -16.077 7.063 4.499 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.438 9.448 5.629 1.00 0.36 N ATOM 1278 CA ALA B 17 -16.282 9.871 6.787 1.00 0.42 C ATOM 1279 C ALA B 17 -17.727 10.014 6.323 1.00 0.45 C ATOM 1280 O ALA B 17 -18.561 10.566 7.013 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.782 11.218 7.310 1.00 0.50 C ATOM 0 H ALA B 17 -15.713 9.840 4.728 1.00 0.36 H new ATOM 0 HA ALA B 17 -16.222 9.126 7.581 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -16.395 11.530 8.155 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.745 11.122 7.630 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.849 11.964 6.518 1.00 0.50 H new ATOM 1287 N ARG B 18 -18.029 9.522 5.151 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.420 9.626 4.622 1.00 0.48 C ATOM 1289 C ARG B 18 -19.776 8.348 3.863 1.00 0.41 C ATOM 1290 O ARG B 18 -19.047 7.903 2.998 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.506 10.821 3.670 1.00 0.53 C ATOM 1292 CG ARG B 18 -19.009 12.088 4.384 1.00 0.70 C ATOM 1293 CD ARG B 18 -19.551 13.335 3.683 1.00 1.15 C ATOM 1294 NE ARG B 18 -19.505 13.151 2.194 1.00 1.96 N ATOM 1295 CZ ARG B 18 -18.394 12.854 1.576 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -17.255 12.880 2.212 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -18.417 12.582 0.300 1.00 3.63 N ATOM 0 H ARG B 18 -17.368 9.050 4.534 1.00 0.47 H new ATOM 0 HA ARG B 18 -20.117 9.761 5.449 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.905 10.634 2.780 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.534 10.959 3.336 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -19.331 12.078 5.425 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -17.919 12.109 4.388 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -20.576 13.525 4.002 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -18.962 14.207 3.968 1.00 1.15 H new ATOM 0 HE ARG B 18 -20.362 13.261 1.652 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -17.228 13.134 3.200 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -16.392 12.647 1.722 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -19.300 12.602 -0.210 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -17.552 12.349 -0.188 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.898 7.762 4.171 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.312 6.521 3.461 1.00 0.35 C ATOM 1313 C LYS B 19 -21.517 6.857 1.981 1.00 0.31 C ATOM 1314 O LYS B 19 -22.249 7.764 1.636 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.620 6.007 4.093 1.00 0.38 C ATOM 1316 CG LYS B 19 -23.210 4.825 3.299 1.00 0.40 C ATOM 1317 CD LYS B 19 -24.675 4.606 3.700 1.00 0.62 C ATOM 1318 CE LYS B 19 -24.814 4.560 5.226 1.00 0.97 C ATOM 1319 NZ LYS B 19 -24.858 5.949 5.766 1.00 1.79 N ATOM 0 H LYS B 19 -21.548 8.090 4.886 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.552 5.745 3.547 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.430 5.697 5.121 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.348 6.818 4.134 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -23.142 5.024 2.229 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.632 3.921 3.492 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -25.292 5.409 3.297 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -25.041 3.675 3.268 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -25.721 4.023 5.503 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -23.976 4.016 5.661 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -23.931 6.195 6.168 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -25.090 6.612 4.999 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -25.584 6.010 6.508 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.878 6.133 1.103 1.00 0.27 N ATOM 1334 CA LEU B 20 -21.040 6.415 -0.350 1.00 0.27 C ATOM 1335 C LEU B 20 -22.436 5.933 -0.805 1.00 0.27 C ATOM 1336 O LEU B 20 -22.756 4.780 -0.596 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.982 5.640 -1.144 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.612 5.775 -0.479 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.564 5.096 -1.361 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.256 7.255 -0.315 1.00 0.27 C ATOM 0 H LEU B 20 -20.252 5.360 1.329 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.929 7.485 -0.524 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.262 4.588 -1.205 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.936 6.017 -2.166 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.636 5.303 0.503 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.583 5.187 -0.895 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.814 4.042 -1.477 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.547 5.575 -2.340 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.279 7.344 0.159 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.229 7.733 -1.294 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -19.007 7.743 0.307 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.240 6.784 -1.428 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.568 6.348 -1.894 1.00 0.34 C ATOM 1354 C PRO B 21 -24.413 5.131 -2.808 1.00 0.30 C ATOM 1355 O PRO B 21 -23.471 5.036 -3.567 1.00 0.29 O ATOM 1356 CB PRO B 21 -25.136 7.554 -2.676 1.00 0.39 C ATOM 1357 CG PRO B 21 -24.160 8.745 -2.462 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.922 8.203 -1.716 1.00 0.35 C ATOM 0 HA PRO B 21 -25.228 6.056 -1.077 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.226 7.317 -3.736 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -26.135 7.807 -2.320 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -23.871 9.180 -3.419 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.640 9.535 -1.884 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -22.023 8.290 -2.327 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.739 8.761 -0.798 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.334 4.211 -2.760 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.233 3.025 -3.654 1.00 0.30 C ATOM 1368 C ARG B 22 -24.995 3.516 -5.083 1.00 0.31 C ATOM 1369 O ARG B 22 -24.323 2.880 -5.872 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.532 2.222 -3.593 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.440 1.031 -4.552 1.00 0.69 C ATOM 1372 CD ARG B 22 -27.639 0.098 -4.343 1.00 1.24 C ATOM 1373 NE ARG B 22 -27.310 -1.273 -4.852 1.00 1.34 N ATOM 1374 CZ ARG B 22 -26.876 -1.465 -6.070 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -26.901 -0.496 -6.945 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -26.469 -2.651 -6.433 1.00 2.44 N ATOM 0 H ARG B 22 -26.147 4.228 -2.145 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.410 2.385 -3.337 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.708 1.871 -2.576 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.377 2.856 -3.863 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -26.418 1.384 -5.583 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -25.511 0.487 -4.382 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -27.895 0.051 -3.285 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -28.512 0.490 -4.865 1.00 1.24 H new ATOM 0 HE ARG B 22 -27.428 -2.075 -4.233 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -27.261 0.421 -6.681 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -26.560 -0.656 -7.893 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -26.490 -3.423 -5.767 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -26.130 -2.805 -7.382 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.546 4.654 -5.415 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.362 5.211 -6.785 1.00 0.37 C ATOM 1392 C ASN B 23 -23.934 5.738 -6.945 1.00 0.37 C ATOM 1393 O ASN B 23 -23.637 6.471 -7.868 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.354 6.353 -7.006 1.00 0.42 C ATOM 1395 CG ASN B 23 -26.183 6.914 -8.418 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -26.149 8.113 -8.609 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -26.071 6.091 -9.425 1.00 2.38 N ATOM 0 H ASN B 23 -26.118 5.224 -4.792 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.538 4.425 -7.519 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -27.374 5.994 -6.867 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -26.189 7.139 -6.269 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -25.955 6.455 -10.371 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -26.099 5.084 -9.266 1.00 2.38 H new ATOM 1404 N PHE B 24 -23.046 5.380 -6.051 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.632 5.869 -6.147 1.00 0.33 C ATOM 1406 C PHE B 24 -20.678 4.730 -5.780 1.00 0.30 C ATOM 1407 O PHE B 24 -19.601 4.948 -5.263 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.439 7.047 -5.176 1.00 0.33 C ATOM 1409 CG PHE B 24 -20.248 7.887 -5.590 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -20.237 8.527 -6.847 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -19.149 8.038 -4.718 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -19.135 9.312 -7.230 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -18.047 8.823 -5.103 1.00 0.37 C ATOM 1414 CZ PHE B 24 -18.039 9.460 -6.358 1.00 0.41 C ATOM 0 H PHE B 24 -23.238 4.769 -5.257 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.421 6.201 -7.164 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.338 7.663 -5.160 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.292 6.671 -4.164 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -21.077 8.414 -7.517 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -19.154 7.551 -3.754 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -19.129 9.801 -8.193 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.206 8.937 -4.435 1.00 0.37 H new ATOM 0 HZ PHE B 24 -17.192 10.062 -6.652 1.00 0.41 H new ATOM 1424 N VAL B 25 -21.066 3.516 -6.060 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.193 2.346 -5.749 1.00 0.28 C ATOM 1426 C VAL B 25 -20.451 1.266 -6.792 1.00 0.30 C ATOM 1427 O VAL B 25 -21.313 0.422 -6.645 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.512 1.815 -4.350 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.560 0.667 -4.007 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.331 2.939 -3.327 1.00 0.23 C ATOM 0 H VAL B 25 -21.958 3.282 -6.495 1.00 0.30 H new ATOM 0 HA VAL B 25 -19.144 2.642 -5.772 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.541 1.456 -4.326 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.789 0.290 -3.010 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.681 -0.135 -4.735 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.532 1.027 -4.031 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.558 2.563 -2.329 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.301 3.294 -3.355 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -21.005 3.761 -3.567 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.710 1.314 -7.857 1.00 0.33 N ATOM 1441 CA VAL B 26 -19.882 0.328 -8.954 1.00 0.36 C ATOM 1442 C VAL B 26 -19.131 -0.960 -8.611 1.00 0.35 C ATOM 1443 O VAL B 26 -19.358 -1.996 -9.204 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.321 0.954 -10.243 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -18.072 1.780 -9.905 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -18.956 -0.133 -11.260 1.00 0.61 C ATOM 0 H VAL B 26 -18.979 2.007 -8.017 1.00 0.33 H new ATOM 0 HA VAL B 26 -20.935 0.080 -9.090 1.00 0.36 H new ATOM 0 HB VAL B 26 -20.085 1.596 -10.681 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -17.672 2.225 -10.816 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -18.337 2.570 -9.202 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -17.318 1.133 -9.456 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -18.562 0.332 -12.164 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -18.201 -0.793 -10.832 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -19.845 -0.712 -11.509 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.235 -0.907 -7.671 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.472 -2.131 -7.316 1.00 0.31 C ATOM 1458 C ASP B 27 -16.669 -1.873 -6.044 1.00 0.27 C ATOM 1459 O ASP B 27 -16.832 -0.859 -5.394 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.524 -2.472 -8.471 1.00 0.34 C ATOM 1461 CG ASP B 27 -16.076 -3.932 -8.359 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -16.926 -4.777 -8.134 1.00 1.09 O ATOM 1463 OD2 ASP B 27 -14.890 -4.180 -8.501 1.00 1.13 O ATOM 0 H ASP B 27 -17.998 -0.073 -7.134 1.00 0.32 H new ATOM 0 HA ASP B 27 -18.154 -2.964 -7.144 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -17.024 -2.308 -9.425 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -15.656 -1.813 -8.448 1.00 0.34 H new ATOM 1468 N TYR B 28 -15.800 -2.774 -5.680 1.00 0.26 N ATOM 1469 CA TYR B 28 -14.992 -2.562 -4.449 1.00 0.23 C ATOM 1470 C TYR B 28 -13.708 -3.383 -4.517 1.00 0.25 C ATOM 1471 O TYR B 28 -13.410 -4.027 -5.504 1.00 0.29 O ATOM 1472 CB TYR B 28 -15.802 -2.958 -3.210 1.00 0.19 C ATOM 1473 CG TYR B 28 -15.935 -4.465 -3.114 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.640 -5.178 -4.104 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.365 -5.155 -2.025 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -16.772 -6.575 -4.007 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.498 -6.552 -1.925 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.202 -7.263 -2.917 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.332 -8.633 -2.822 1.00 0.28 O ATOM 0 H TYR B 28 -15.615 -3.644 -6.180 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.733 -1.506 -4.378 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.316 -2.573 -2.314 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -16.791 -2.503 -3.256 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -17.079 -4.651 -4.938 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -14.825 -4.610 -1.265 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.310 -7.121 -4.768 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -15.061 -7.079 -1.089 1.00 0.22 H new ATOM 0 HH TYR B 28 -15.880 -8.949 -2.012 1.00 0.28 H new ATOM 1489 N TYR B 29 -12.943 -3.344 -3.471 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.661 -4.090 -3.440 1.00 0.25 C ATOM 1491 C TYR B 29 -11.231 -4.251 -1.975 1.00 0.22 C ATOM 1492 O TYR B 29 -11.359 -3.340 -1.187 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.620 -3.285 -4.236 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.219 -3.716 -3.872 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -8.744 -4.973 -4.282 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.390 -2.858 -3.123 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.439 -5.378 -3.943 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.085 -3.260 -2.782 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.610 -4.522 -3.192 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.330 -4.919 -2.859 1.00 0.39 O ATOM 0 H TYR B 29 -13.154 -2.819 -2.622 1.00 0.23 H new ATOM 0 HA TYR B 29 -11.761 -5.079 -3.886 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -10.783 -3.426 -5.304 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -10.743 -2.221 -4.033 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.380 -5.629 -4.858 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.756 -1.891 -2.810 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -7.074 -6.344 -4.258 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.449 -2.603 -2.207 1.00 0.38 H new ATOM 0 HH TYR B 29 -4.892 -4.212 -2.341 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.726 -5.396 -1.601 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.295 -5.595 -0.180 1.00 0.20 C ATOM 1512 C GLU B 30 -8.790 -5.331 -0.062 1.00 0.21 C ATOM 1513 O GLU B 30 -8.051 -5.437 -1.022 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.598 -7.032 0.248 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.095 -7.182 0.529 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.398 -8.626 0.930 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -12.490 -9.459 0.044 1.00 1.35 O ATOM 1518 OE2 GLU B 30 -12.532 -8.875 2.117 1.00 1.43 O ATOM 0 H GLU B 30 -10.592 -6.201 -2.213 1.00 0.22 H new ATOM 0 HA GLU B 30 -10.836 -4.903 0.465 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.294 -7.727 -0.535 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -10.024 -7.285 1.139 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.396 -6.502 1.326 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.671 -6.911 -0.356 1.00 0.25 H new ATOM 1525 N THR B 31 -8.335 -4.978 1.108 1.00 0.19 N ATOM 1526 CA THR B 31 -6.881 -4.694 1.302 1.00 0.21 C ATOM 1527 C THR B 31 -6.079 -5.995 1.295 1.00 0.25 C ATOM 1528 O THR B 31 -6.558 -7.037 0.895 1.00 0.27 O ATOM 1529 CB THR B 31 -6.684 -3.995 2.648 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.388 -4.715 3.642 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.215 -2.564 2.559 1.00 0.20 C ATOM 0 H THR B 31 -8.909 -4.873 1.944 1.00 0.19 H new ATOM 0 HA THR B 31 -6.533 -4.057 0.489 1.00 0.21 H new ATOM 0 HB THR B 31 -5.625 -3.962 2.904 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.463 -5.655 3.374 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.076 -2.064 3.517 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.672 -2.022 1.785 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.276 -2.584 2.311 1.00 0.20 H new ATOM 1539 N SER B 32 -4.854 -5.932 1.743 1.00 0.27 N ATOM 1540 CA SER B 32 -3.994 -7.145 1.779 1.00 0.31 C ATOM 1541 C SER B 32 -4.234 -7.909 3.080 1.00 0.33 C ATOM 1542 O SER B 32 -5.339 -7.979 3.582 1.00 0.33 O ATOM 1543 CB SER B 32 -2.528 -6.719 1.713 1.00 0.33 C ATOM 1544 OG SER B 32 -2.333 -5.881 0.581 1.00 1.27 O ATOM 0 H SER B 32 -4.410 -5.081 2.089 1.00 0.27 H new ATOM 0 HA SER B 32 -4.236 -7.787 0.932 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.250 -6.189 2.624 1.00 0.33 H new ATOM 0 HB3 SER B 32 -1.885 -7.597 1.645 1.00 0.33 H new ATOM 0 HG SER B 32 -1.565 -6.202 0.064 1.00 1.27 H new ATOM 1550 N SER B 33 -3.198 -8.481 3.625 1.00 0.36 N ATOM 1551 CA SER B 33 -3.331 -9.253 4.897 1.00 0.40 C ATOM 1552 C SER B 33 -2.081 -9.028 5.742 1.00 0.40 C ATOM 1553 O SER B 33 -2.139 -8.952 6.953 1.00 0.42 O ATOM 1554 CB SER B 33 -3.448 -10.737 4.571 1.00 0.46 C ATOM 1555 OG SER B 33 -2.151 -11.268 4.334 1.00 0.48 O ATOM 0 H SER B 33 -2.253 -8.448 3.241 1.00 0.36 H new ATOM 0 HA SER B 33 -4.216 -8.924 5.441 1.00 0.40 H new ATOM 0 HB2 SER B 33 -3.925 -11.266 5.396 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.078 -10.880 3.693 1.00 0.46 H new ATOM 0 HG SER B 33 -2.222 -12.223 4.126 1.00 0.48 H new ATOM 1561 N LEU B 34 -0.951 -8.930 5.096 1.00 0.39 N ATOM 1562 CA LEU B 34 0.337 -8.714 5.820 1.00 0.39 C ATOM 1563 C LEU B 34 0.141 -7.724 6.968 1.00 0.37 C ATOM 1564 O LEU B 34 0.425 -8.014 8.113 1.00 0.40 O ATOM 1565 CB LEU B 34 1.377 -8.146 4.852 1.00 0.36 C ATOM 1566 CG LEU B 34 1.316 -8.888 3.516 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.476 -8.430 2.629 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.416 -10.397 3.759 1.00 0.45 C ATOM 0 H LEU B 34 -0.863 -8.991 4.082 1.00 0.39 H new ATOM 0 HA LEU B 34 0.677 -9.669 6.220 1.00 0.39 H new ATOM 0 HB2 LEU B 34 1.195 -7.083 4.694 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.374 -8.239 5.283 1.00 0.36 H new ATOM 0 HG LEU B 34 0.371 -8.668 3.020 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.435 -8.957 1.676 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.398 -7.357 2.454 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.422 -8.649 3.125 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.372 -10.923 2.805 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.359 -10.624 4.255 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.588 -10.720 4.390 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.343 -6.554 6.665 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.555 -5.543 7.736 1.00 0.34 C ATOM 1582 C CYS B 35 -1.702 -6.004 8.640 1.00 0.39 C ATOM 1583 O CYS B 35 -2.756 -6.384 8.179 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.892 -4.188 7.102 1.00 0.32 C ATOM 1585 SG CYS B 35 -1.987 -4.429 5.680 1.00 0.40 S ATOM 0 H CYS B 35 -0.601 -6.254 5.725 1.00 0.33 H new ATOM 0 HA CYS B 35 0.352 -5.437 8.332 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.373 -3.542 7.837 1.00 0.32 H new ATOM 0 HB3 CYS B 35 0.023 -3.686 6.787 1.00 0.32 H new ATOM 1590 N SER B 36 -1.487 -6.001 9.926 1.00 0.44 N ATOM 1591 CA SER B 36 -2.548 -6.455 10.872 1.00 0.51 C ATOM 1592 C SER B 36 -3.754 -5.503 10.857 1.00 0.51 C ATOM 1593 O SER B 36 -4.408 -5.325 11.866 1.00 0.58 O ATOM 1594 CB SER B 36 -1.968 -6.507 12.286 1.00 0.59 C ATOM 1595 OG SER B 36 -1.434 -5.234 12.621 1.00 1.41 O ATOM 0 H SER B 36 -0.617 -5.702 10.366 1.00 0.44 H new ATOM 0 HA SER B 36 -2.887 -7.443 10.560 1.00 0.51 H new ATOM 0 HB2 SER B 36 -2.743 -6.788 12.999 1.00 0.59 H new ATOM 0 HB3 SER B 36 -1.189 -7.268 12.344 1.00 0.59 H new ATOM 0 HG SER B 36 -1.063 -5.263 13.528 1.00 1.41 H new ATOM 1601 N GLN B 37 -4.067 -4.878 9.747 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.241 -3.949 9.743 1.00 0.47 C ATOM 1603 C GLN B 37 -5.831 -3.807 8.331 1.00 0.36 C ATOM 1604 O GLN B 37 -5.790 -2.736 7.766 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.791 -2.571 10.240 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.488 -2.172 9.543 1.00 0.78 C ATOM 1607 CD GLN B 37 -3.162 -0.712 9.866 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -2.056 -0.397 10.260 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -4.085 0.198 9.716 1.00 1.48 N ATOM 0 H GLN B 37 -3.571 -4.968 8.860 1.00 0.45 H new ATOM 0 HA GLN B 37 -6.009 -4.360 10.398 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.565 -1.830 10.038 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.645 -2.593 11.320 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.675 -2.819 9.872 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.584 -2.304 8.465 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -5.013 -0.066 9.385 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -3.879 1.174 9.929 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.386 -4.879 7.806 1.00 0.34 N ATOM 1619 CA PRO B 38 -7.010 -4.845 6.467 1.00 0.26 C ATOM 1620 C PRO B 38 -8.268 -3.965 6.526 1.00 0.25 C ATOM 1621 O PRO B 38 -8.637 -3.456 7.565 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.371 -6.319 6.163 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.088 -7.144 7.453 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.435 -6.193 8.482 1.00 0.43 C ATOM 0 HA PRO B 38 -6.361 -4.430 5.696 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.418 -6.406 5.874 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.778 -6.695 5.329 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -8.013 -7.562 7.851 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.427 -7.983 7.234 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -7.019 -6.143 9.401 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.437 -6.534 8.757 1.00 0.43 H new ATOM 1632 N ALA B 39 -8.927 -3.796 5.418 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.157 -2.969 5.385 1.00 0.22 C ATOM 1634 C ALA B 39 -10.830 -3.177 4.033 1.00 0.19 C ATOM 1635 O ALA B 39 -10.253 -3.760 3.136 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.792 -1.493 5.552 1.00 0.23 C ATOM 0 H ALA B 39 -8.660 -4.203 4.521 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.828 -3.259 6.194 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.699 -0.889 5.527 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.286 -1.349 6.507 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.130 -1.188 4.741 1.00 0.23 H new ATOM 1642 N VAL B 40 -12.028 -2.689 3.859 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.712 -2.844 2.541 1.00 0.13 C ATOM 1644 C VAL B 40 -12.522 -1.544 1.767 1.00 0.13 C ATOM 1645 O VAL B 40 -12.511 -0.470 2.336 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.207 -3.119 2.754 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -14.973 -2.879 1.448 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.393 -4.575 3.177 1.00 0.16 C ATOM 0 H VAL B 40 -12.563 -2.190 4.570 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.290 -3.682 1.987 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.588 -2.451 3.526 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.033 -3.076 1.607 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -14.839 -1.844 1.133 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.592 -3.546 0.675 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.453 -4.777 3.330 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -14.007 -5.232 2.398 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -13.852 -4.756 4.105 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.358 -1.639 0.475 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.148 -0.417 -0.363 1.00 0.16 C ATOM 1660 C VAL B 41 -13.257 -0.318 -1.412 1.00 0.16 C ATOM 1661 O VAL B 41 -13.396 -1.169 -2.261 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.781 -0.515 -1.048 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.345 0.866 -1.532 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.753 -1.041 -0.042 1.00 0.23 C ATOM 0 H VAL B 41 -12.360 -2.518 -0.043 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.177 0.475 0.263 1.00 0.16 H new ATOM 0 HB VAL B 41 -10.851 -1.191 -1.900 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.372 0.791 -2.018 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.077 1.251 -2.242 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.274 1.544 -0.681 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.777 -1.113 -0.523 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.690 -0.358 0.805 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.059 -2.027 0.309 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.060 0.711 -1.356 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.169 0.846 -2.348 1.00 0.17 C ATOM 1676 C PHE B 42 -14.682 1.599 -3.588 1.00 0.21 C ATOM 1677 O PHE B 42 -14.044 2.629 -3.497 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.332 1.625 -1.719 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.098 0.735 -0.767 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.787 -0.393 -1.256 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.131 1.034 0.609 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.505 -1.219 -0.372 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.851 0.210 1.493 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.538 -0.918 1.003 1.00 0.14 C ATOM 0 H PHE B 42 -13.997 1.462 -0.669 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.501 -0.151 -2.637 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -15.951 2.497 -1.187 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -16.997 1.994 -2.500 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.764 -0.624 -2.311 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.603 1.897 0.986 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -19.031 -2.084 -0.748 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.877 0.442 2.547 1.00 0.14 H new ATOM 0 HZ PHE B 42 -19.090 -1.552 1.682 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.011 1.097 -4.748 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.613 1.773 -6.015 1.00 0.28 C ATOM 1696 C GLN B 43 -15.812 2.597 -6.489 1.00 0.30 C ATOM 1697 O GLN B 43 -16.890 2.069 -6.672 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.256 0.708 -7.054 1.00 0.32 C ATOM 1699 CG GLN B 43 -12.997 -0.038 -6.608 1.00 0.32 C ATOM 1700 CD GLN B 43 -12.812 -1.289 -7.467 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -12.556 -2.360 -6.955 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -12.931 -1.197 -8.764 1.00 1.31 N ATOM 0 H GLN B 43 -15.545 0.237 -4.872 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.748 2.420 -5.868 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -15.083 0.008 -7.172 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -14.091 1.174 -8.026 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.126 0.611 -6.700 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.079 -0.315 -5.557 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -13.146 -0.297 -9.194 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -12.809 -2.025 -9.347 1.00 1.31 H new ATOM 1711 N THR B 44 -15.659 3.893 -6.645 1.00 0.32 N ATOM 1712 CA THR B 44 -16.836 4.737 -7.055 1.00 0.34 C ATOM 1713 C THR B 44 -16.834 5.026 -8.556 1.00 0.39 C ATOM 1714 O THR B 44 -16.055 4.484 -9.315 1.00 0.41 O ATOM 1715 CB THR B 44 -16.798 6.064 -6.299 1.00 0.34 C ATOM 1716 OG1 THR B 44 -15.888 6.943 -6.940 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.347 5.817 -4.858 1.00 0.29 C ATOM 0 H THR B 44 -14.784 4.399 -6.509 1.00 0.32 H new ATOM 0 HA THR B 44 -17.742 4.180 -6.814 1.00 0.34 H new ATOM 0 HB THR B 44 -17.792 6.511 -6.294 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.020 7.854 -6.603 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.320 6.763 -4.318 1.00 0.29 H new ATOM 0 HG22 THR B 44 -17.047 5.140 -4.369 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.352 5.371 -4.859 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.735 5.880 -8.975 1.00 0.43 N ATOM 1726 CA LYS B 45 -17.854 6.238 -10.418 1.00 0.48 C ATOM 1727 C LYS B 45 -17.113 7.551 -10.707 1.00 0.51 C ATOM 1728 O LYS B 45 -16.813 7.854 -11.844 1.00 0.56 O ATOM 1729 CB LYS B 45 -19.339 6.416 -10.757 1.00 0.50 C ATOM 1730 CG LYS B 45 -20.155 5.305 -10.094 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.615 5.410 -10.539 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.368 4.142 -10.131 1.00 0.54 C ATOM 1733 NZ LYS B 45 -23.748 4.181 -10.692 1.00 1.55 N ATOM 0 H LYS B 45 -18.403 6.351 -8.365 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.414 5.445 -11.023 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.686 7.390 -10.413 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.481 6.390 -11.837 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -19.750 4.330 -10.366 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -20.087 5.387 -9.009 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -22.082 6.284 -10.086 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.668 5.545 -11.619 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -21.841 3.260 -10.495 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -22.408 4.064 -9.045 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -24.387 3.632 -10.082 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -24.076 5.167 -10.739 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -23.746 3.771 -11.648 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.823 8.339 -9.694 1.00 0.50 N ATOM 1748 CA ARG B 46 -16.109 9.639 -9.929 1.00 0.54 C ATOM 1749 C ARG B 46 -15.008 9.798 -8.873 1.00 0.49 C ATOM 1750 O ARG B 46 -14.936 10.782 -8.168 1.00 0.48 O ATOM 1751 CB ARG B 46 -17.120 10.799 -9.827 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.624 12.042 -10.597 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.515 12.767 -9.823 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.351 14.141 -10.376 1.00 1.48 N ATOM 1755 CZ ARG B 46 -14.690 15.040 -9.699 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -14.169 14.733 -8.542 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -14.549 16.245 -10.178 1.00 2.82 N ATOM 0 H ARG B 46 -17.049 8.139 -8.720 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.659 9.650 -10.922 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -18.083 10.481 -10.226 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -17.278 11.056 -8.780 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.251 11.742 -11.576 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -17.457 12.724 -10.768 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -15.766 12.816 -8.764 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.578 12.215 -9.903 1.00 0.92 H new ATOM 0 HE ARG B 46 -15.755 14.379 -11.282 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -14.279 13.791 -8.167 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -13.652 15.435 -8.013 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -14.955 16.485 -11.082 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -14.032 16.947 -9.648 1.00 2.82 H new ATOM 1771 N SER B 47 -14.146 8.829 -8.770 1.00 0.46 N ATOM 1772 CA SER B 47 -13.036 8.899 -7.788 1.00 0.42 C ATOM 1773 C SER B 47 -12.058 7.777 -8.123 1.00 0.42 C ATOM 1774 O SER B 47 -11.517 7.715 -9.210 1.00 0.46 O ATOM 1775 CB SER B 47 -13.571 8.741 -6.356 1.00 0.38 C ATOM 1776 OG SER B 47 -14.726 9.551 -6.190 1.00 1.07 O ATOM 0 H SER B 47 -14.165 7.979 -9.334 1.00 0.46 H new ATOM 0 HA SER B 47 -12.538 9.867 -7.843 1.00 0.42 H new ATOM 0 HB2 SER B 47 -13.815 7.697 -6.161 1.00 0.38 H new ATOM 0 HB3 SER B 47 -12.805 9.029 -5.636 1.00 0.38 H new ATOM 0 HG SER B 47 -14.626 10.374 -6.713 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.849 6.881 -7.217 1.00 0.38 N ATOM 1783 CA LYS B 48 -10.935 5.741 -7.477 1.00 0.40 C ATOM 1784 C LYS B 48 -11.314 4.630 -6.514 1.00 0.35 C ATOM 1785 O LYS B 48 -12.169 3.812 -6.788 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.482 6.160 -7.230 1.00 0.44 C ATOM 1787 CG LYS B 48 -9.031 7.145 -8.315 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.505 7.268 -8.290 1.00 1.38 C ATOM 1789 CE LYS B 48 -7.051 8.199 -9.416 1.00 2.13 C ATOM 1790 NZ LYS B 48 -5.562 8.202 -9.487 1.00 2.73 N ATOM 0 H LYS B 48 -12.277 6.886 -6.291 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.023 5.411 -8.512 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.390 6.621 -6.247 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -8.836 5.282 -7.232 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.363 6.801 -9.295 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.488 8.120 -8.148 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.176 7.658 -7.327 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -7.048 6.286 -8.409 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -7.471 7.869 -10.366 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -7.419 9.209 -9.238 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -5.252 8.835 -10.252 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -5.172 8.536 -8.583 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -5.222 7.238 -9.676 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.692 4.624 -5.367 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.998 3.599 -4.330 1.00 0.30 C ATOM 1806 C GLN B 49 -11.103 4.322 -2.980 1.00 0.25 C ATOM 1807 O GLN B 49 -10.378 5.263 -2.716 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.873 2.534 -4.302 1.00 0.35 C ATOM 1809 CG GLN B 49 -9.057 2.597 -5.599 1.00 0.82 C ATOM 1810 CD GLN B 49 -8.053 1.442 -5.627 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -8.194 0.481 -4.899 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -7.037 1.500 -6.444 1.00 1.52 N ATOM 0 H GLN B 49 -9.973 5.297 -5.101 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.935 3.087 -4.549 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -9.222 2.704 -3.445 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -10.305 1.540 -4.182 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -9.720 2.537 -6.462 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -8.533 3.550 -5.665 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -6.920 2.308 -7.055 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -6.360 0.737 -6.471 1.00 1.52 H new ATOM 1821 N VAL B 50 -12.012 3.905 -2.133 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.182 4.578 -0.805 1.00 0.19 C ATOM 1823 C VAL B 50 -12.173 3.531 0.300 1.00 0.16 C ATOM 1824 O VAL B 50 -12.941 2.595 0.281 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.516 5.331 -0.785 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.539 6.298 0.402 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.676 6.110 -2.097 1.00 0.31 C ATOM 0 H VAL B 50 -12.646 3.125 -2.304 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.364 5.280 -0.645 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.338 4.622 -0.683 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.488 6.834 0.416 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.424 5.738 1.330 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.721 7.012 0.306 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.624 6.648 -2.088 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.856 6.821 -2.200 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.661 5.415 -2.937 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.313 3.689 1.266 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.244 2.703 2.375 1.00 0.15 C ATOM 1839 C CYS B 51 -12.471 2.863 3.268 1.00 0.14 C ATOM 1840 O CYS B 51 -13.012 3.941 3.409 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.978 2.959 3.194 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.521 2.696 2.152 1.00 0.21 S ATOM 0 H CYS B 51 -10.652 4.463 1.334 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.219 1.691 1.970 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.982 3.978 3.581 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.948 2.291 4.055 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.923 1.790 3.862 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.130 1.863 4.740 1.00 0.13 C ATOM 1849 C ALA B 52 -13.941 0.942 5.947 1.00 0.15 C ATOM 1850 O ALA B 52 -13.490 -0.182 5.822 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.357 1.406 3.947 1.00 0.11 C ATOM 0 H ALA B 52 -12.507 0.862 3.777 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.270 2.888 5.082 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.241 1.457 4.583 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.494 2.055 3.082 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.211 0.380 3.610 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.283 1.415 7.114 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.130 0.578 8.338 1.00 0.22 C ATOM 1859 C ASP B 53 -15.136 -0.597 8.285 1.00 0.21 C ATOM 1860 O ASP B 53 -16.326 -0.351 8.284 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.440 1.438 9.565 1.00 0.27 C ATOM 1862 CG ASP B 53 -14.090 0.661 10.836 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -14.000 -0.553 10.758 1.00 2.10 O ATOM 1864 OD2 ASP B 53 -13.918 1.293 11.865 1.00 2.17 O ATOM 0 H ASP B 53 -14.663 2.348 7.273 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.113 0.190 8.395 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -13.870 2.366 9.525 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -15.495 1.712 9.573 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.673 -1.843 8.244 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.604 -2.991 8.194 1.00 0.24 C ATOM 1871 C PRO B 54 -16.494 -3.006 9.447 1.00 0.28 C ATOM 1872 O PRO B 54 -17.412 -3.793 9.559 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.700 -4.244 8.143 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.222 -3.759 8.166 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.237 -2.216 8.241 1.00 0.24 C ATOM 0 HA PRO B 54 -16.273 -2.945 7.335 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -14.902 -4.897 8.992 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.899 -4.823 7.241 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.695 -4.179 9.023 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.695 -4.094 7.272 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.735 -1.860 9.141 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.717 -1.775 7.391 1.00 0.24 H new ATOM 1883 N SER B 55 -16.214 -2.155 10.392 1.00 0.31 N ATOM 1884 CA SER B 55 -17.029 -2.132 11.640 1.00 0.36 C ATOM 1885 C SER B 55 -18.369 -1.439 11.380 1.00 0.36 C ATOM 1886 O SER B 55 -19.311 -1.594 12.131 1.00 0.40 O ATOM 1887 CB SER B 55 -16.268 -1.375 12.729 1.00 0.40 C ATOM 1888 OG SER B 55 -16.985 -1.466 13.952 1.00 1.42 O ATOM 0 H SER B 55 -15.456 -1.473 10.356 1.00 0.31 H new ATOM 0 HA SER B 55 -17.215 -3.156 11.964 1.00 0.36 H new ATOM 0 HB2 SER B 55 -15.269 -1.793 12.848 1.00 0.40 H new ATOM 0 HB3 SER B 55 -16.144 -0.330 12.443 1.00 0.40 H new ATOM 0 HG SER B 55 -16.499 -0.983 14.653 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.468 -0.678 10.323 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.756 0.014 10.027 1.00 0.33 C ATOM 1896 C GLU B 56 -20.706 -0.966 9.329 1.00 0.33 C ATOM 1897 O GLU B 56 -20.423 -1.484 8.265 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.493 1.222 9.125 1.00 0.31 C ATOM 1899 CG GLU B 56 -18.974 2.393 9.965 1.00 0.35 C ATOM 1900 CD GLU B 56 -18.508 3.518 9.040 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -17.657 3.259 8.206 1.00 2.08 O ATOM 1902 OE2 GLU B 56 -19.012 4.621 9.181 1.00 2.01 O ATOM 0 H GLU B 56 -17.717 -0.506 9.655 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.212 0.358 10.955 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.764 0.962 8.357 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.410 1.510 8.610 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -19.760 2.755 10.628 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.150 2.063 10.598 1.00 0.35 H new ATOM 1909 N SER B 57 -21.823 -1.229 9.940 1.00 0.37 N ATOM 1910 CA SER B 57 -22.812 -2.182 9.362 1.00 0.38 C ATOM 1911 C SER B 57 -23.121 -1.854 7.898 1.00 0.35 C ATOM 1912 O SER B 57 -23.284 -2.741 7.085 1.00 0.34 O ATOM 1913 CB SER B 57 -24.105 -2.116 10.175 1.00 0.44 C ATOM 1914 OG SER B 57 -25.163 -2.695 9.421 1.00 1.37 O ATOM 0 H SER B 57 -22.100 -0.818 10.832 1.00 0.37 H new ATOM 0 HA SER B 57 -22.383 -3.183 9.402 1.00 0.38 H new ATOM 0 HB2 SER B 57 -23.982 -2.647 11.119 1.00 0.44 H new ATOM 0 HB3 SER B 57 -24.342 -1.081 10.420 1.00 0.44 H new ATOM 0 HG SER B 57 -25.994 -2.656 9.940 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.231 -0.601 7.547 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.560 -0.274 6.131 1.00 0.32 C ATOM 1922 C TRP B 58 -22.470 -0.815 5.212 1.00 0.27 C ATOM 1923 O TRP B 58 -22.727 -1.192 4.088 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.748 1.240 5.948 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.438 1.966 5.902 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -21.943 2.724 6.907 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.472 2.052 4.810 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.738 3.272 6.506 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.399 2.884 5.229 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.418 1.496 3.510 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.310 3.155 4.389 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.323 1.767 2.662 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -19.270 2.594 3.103 1.00 0.26 C ATOM 0 H TRP B 58 -23.109 0.199 8.169 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.504 -0.751 5.866 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.300 1.428 5.027 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.351 1.632 6.767 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.413 2.877 7.867 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -20.169 3.889 7.086 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -22.220 0.860 3.165 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.507 3.792 4.729 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.292 1.339 1.671 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.433 2.796 2.451 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.261 -0.887 5.683 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.178 -1.431 4.825 1.00 0.20 C ATOM 1946 C VAL B 59 -20.469 -2.901 4.558 1.00 0.22 C ATOM 1947 O VAL B 59 -20.408 -3.365 3.438 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.841 -1.284 5.545 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.723 -1.895 4.696 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.571 0.201 5.768 1.00 0.19 C ATOM 0 H VAL B 59 -20.976 -0.595 6.618 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.130 -0.888 3.881 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.875 -1.804 6.502 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.771 -1.787 5.216 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.928 -2.953 4.531 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.673 -1.381 3.736 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.618 0.324 6.282 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.533 0.712 4.806 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.369 0.629 6.375 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.810 -3.634 5.577 1.00 0.25 N ATOM 1961 CA GLN B 60 -21.130 -5.074 5.371 1.00 0.28 C ATOM 1962 C GLN B 60 -22.379 -5.185 4.492 1.00 0.30 C ATOM 1963 O GLN B 60 -22.492 -6.065 3.661 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.391 -5.740 6.723 1.00 0.33 C ATOM 1965 CG GLN B 60 -20.111 -5.709 7.561 1.00 1.25 C ATOM 1966 CD GLN B 60 -19.120 -6.743 7.022 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -18.077 -6.391 6.509 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -19.405 -8.013 7.118 1.00 2.14 N ATOM 0 H GLN B 60 -20.881 -3.303 6.539 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.292 -5.573 4.884 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -22.194 -5.222 7.247 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -21.718 -6.769 6.577 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -19.667 -4.714 7.529 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -20.342 -5.922 8.605 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -20.281 -8.308 7.549 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -18.752 -8.711 6.762 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.317 -4.296 4.674 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.566 -4.338 3.858 1.00 0.33 C ATOM 1979 C GLU B 61 -24.240 -4.062 2.388 1.00 0.31 C ATOM 1980 O GLU B 61 -24.642 -4.794 1.505 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.543 -3.278 4.369 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.924 -3.516 3.754 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.555 -4.759 4.384 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -27.994 -4.666 5.519 1.00 1.99 O ATOM 1985 OE2 GLU B 61 -27.591 -5.782 3.721 1.00 2.03 O ATOM 0 H GLU B 61 -23.273 -3.539 5.356 1.00 0.31 H new ATOM 0 HA GLU B 61 -25.017 -5.327 3.945 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.606 -3.320 5.456 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.184 -2.282 4.109 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -27.562 -2.648 3.919 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -26.836 -3.647 2.675 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.517 -3.011 2.119 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.168 -2.684 0.706 1.00 0.28 C ATOM 1994 C TYR B 62 -22.343 -3.829 0.108 1.00 0.28 C ATOM 1995 O TYR B 62 -22.459 -4.144 -1.059 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.351 -1.380 0.661 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.272 -0.172 0.706 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.253 -0.053 1.713 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.141 0.843 -0.265 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.097 1.075 1.746 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -23.985 1.969 -0.231 1.00 0.29 C ATOM 2002 CZ TYR B 62 -24.963 2.084 0.775 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.792 3.187 0.809 1.00 0.34 O ATOM 0 H TYR B 62 -23.152 -2.363 2.817 1.00 0.28 H new ATOM 0 HA TYR B 62 -24.083 -2.553 0.128 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.659 -1.348 1.503 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.749 -1.352 -0.248 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.357 -0.827 2.459 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.391 0.756 -1.037 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.847 1.165 2.517 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.882 2.744 -0.976 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.567 3.788 0.069 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.524 -4.461 0.899 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.712 -5.588 0.374 1.00 0.28 C ATOM 2015 C VAL B 63 -21.665 -6.705 -0.027 1.00 0.32 C ATOM 2016 O VAL B 63 -21.496 -7.356 -1.036 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.755 -6.076 1.469 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -19.146 -7.425 1.075 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.634 -5.049 1.654 1.00 0.25 C ATOM 0 H VAL B 63 -21.383 -4.245 1.886 1.00 0.27 H new ATOM 0 HA VAL B 63 -20.123 -5.274 -0.488 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.309 -6.194 2.400 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.468 -7.761 1.860 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.941 -8.159 0.943 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.594 -7.316 0.141 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.951 -5.392 2.432 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -18.089 -4.933 0.717 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -19.063 -4.090 1.945 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.675 -6.921 0.764 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.654 -7.986 0.443 1.00 0.38 C ATOM 2031 C TYR B 64 -24.358 -7.640 -0.866 1.00 0.39 C ATOM 2032 O TYR B 64 -24.569 -8.480 -1.717 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.686 -8.075 1.572 1.00 0.41 C ATOM 2034 CG TYR B 64 -25.407 -9.403 1.506 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.766 -10.575 1.952 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.719 -9.469 0.998 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -25.436 -11.812 1.890 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -27.390 -10.706 0.937 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.748 -11.878 1.383 1.00 0.55 C ATOM 2040 OH TYR B 64 -27.406 -13.089 1.323 1.00 0.60 O ATOM 0 H TYR B 64 -22.863 -6.403 1.622 1.00 0.34 H new ATOM 0 HA TYR B 64 -23.143 -8.943 0.340 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -24.192 -7.967 2.538 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.402 -7.258 1.487 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.760 -10.525 2.342 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -27.211 -8.571 0.655 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.943 -12.710 2.231 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -28.396 -10.756 0.548 1.00 0.54 H new ATOM 0 HH TYR B 64 -28.302 -12.956 0.949 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.722 -6.402 -1.024 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.420 -5.974 -2.269 1.00 0.37 C ATOM 2052 C ASP B 65 -24.506 -6.205 -3.475 1.00 0.37 C ATOM 2053 O ASP B 65 -24.955 -6.545 -4.553 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.765 -4.485 -2.162 1.00 0.35 C ATOM 2055 CG ASP B 65 -27.007 -4.304 -1.286 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -26.991 -4.784 -0.163 1.00 1.11 O ATOM 2057 OD2 ASP B 65 -27.951 -3.688 -1.750 1.00 1.15 O ATOM 0 H ASP B 65 -24.566 -5.661 -0.341 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.334 -6.554 -2.397 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -24.925 -3.937 -1.736 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -25.945 -4.071 -3.154 1.00 0.35 H new ATOM 2062 N LEU B 66 -23.230 -6.021 -3.302 1.00 0.33 N ATOM 2063 CA LEU B 66 -22.281 -6.225 -4.431 1.00 0.34 C ATOM 2064 C LEU B 66 -22.151 -7.722 -4.726 1.00 0.39 C ATOM 2065 O LEU B 66 -21.917 -8.125 -5.849 1.00 0.42 O ATOM 2066 CB LEU B 66 -20.915 -5.647 -4.036 1.00 0.31 C ATOM 2067 CG LEU B 66 -20.906 -4.116 -4.239 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -19.811 -3.486 -3.373 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.618 -3.773 -5.710 1.00 0.30 C ATOM 0 H LEU B 66 -22.799 -5.736 -2.422 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.648 -5.721 -5.325 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.699 -5.885 -2.994 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -20.130 -6.106 -4.637 1.00 0.31 H new ATOM 0 HG LEU B 66 -21.884 -3.727 -3.956 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -19.808 -2.406 -3.519 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -20.003 -3.710 -2.324 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -18.841 -3.894 -3.659 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.615 -2.690 -5.837 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.645 -4.174 -5.993 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.390 -4.211 -6.343 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.310 -8.546 -3.732 1.00 0.40 N ATOM 2082 CA GLU B 67 -22.205 -10.017 -3.958 1.00 0.45 C ATOM 2083 C GLU B 67 -23.443 -10.495 -4.712 1.00 0.50 C ATOM 2084 O GLU B 67 -23.408 -11.470 -5.437 1.00 0.55 O ATOM 2085 CB GLU B 67 -22.127 -10.735 -2.611 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.764 -10.474 -1.980 1.00 0.44 C ATOM 2087 CD GLU B 67 -20.621 -11.307 -0.704 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -20.905 -12.491 -0.759 1.00 1.81 O ATOM 2089 OE2 GLU B 67 -20.229 -10.745 0.305 1.00 1.88 O ATOM 0 H GLU B 67 -22.508 -8.267 -2.771 1.00 0.40 H new ATOM 0 HA GLU B 67 -21.309 -10.236 -4.539 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.920 -10.382 -1.951 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -22.279 -11.806 -2.747 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -19.971 -10.729 -2.684 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.656 -9.414 -1.749 1.00 0.44 H new