USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 THR OG1 : rot 142:sc= -0.463 USER MOD Set 1.2: B 47 SER OG : rot -46:sc= -0.059 USER MOD Set 2.1: B 19 LYS NZ :NH3+ 155:sc= -0.192 (180deg=-0.993) USER MOD Set 2.2: B 62 TYR OH : rot 180:sc= -0.0169 USER MOD Set 3.1: A 44 THR OG1 : rot 143:sc= -0.457 USER MOD Set 3.2: A 47 SER OG : rot -37:sc= 0.0576 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 159:sc= -0.196 (180deg=-1) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= -0.0165 USER MOD Single : A 5 SER OG : rot 70:sc= -2.62! USER MOD Single : A 9 THR OG1 : rot 168:sc= -0.705 USER MOD Single : A 14 SER OG : rot -81:sc= 1.28 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.501 USER MOD Single : A 23 ASN : amide:sc= -4.79! C(o=-4.8!,f=-1!) 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 41:sc= -0.697 USER MOD Single : A 32 SER OG : rot -170:sc= 0.341 USER MOD Single : A 33 SER OG : rot -60:sc= -0.136 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00249 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 43 GLN : amide:sc= -5.17! K(o=-5.2!,f=-3.2) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= 0.557 (180deg=-0.154!) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -0.164 (180deg=-1.01) USER MOD Single : A 49 GLN : amide:sc= -0.798 K(o=-0.8,f=-0.0061) USER MOD Single : A 55 SER OG : rot 87:sc= 1.2 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 60 GLN : amide:sc= -9.5! C(o=-9.5!,f=-11!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 74:sc= -2.38! USER MOD Single : B 9 THR OG1 : rot 161:sc= -0.74 USER MOD Single : B 14 SER OG : rot -79:sc= 1.34 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.428! USER MOD Single : B 23 ASN : amide:sc= -4.78! C(o=-4.8!,f=-1.1!) 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 29:sc= -0.904 USER MOD Single : B 32 SER OG : rot 180:sc= 0.325 USER MOD Single : B 33 SER OG : rot 180:sc= -0.139 USER MOD Single : B 36 SER OG : rot 180:sc= 0.00272 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 43 GLN : amide:sc= -5! K(o=-5!,f=-3.2) USER MOD Single : B 45 LYS NZ :NH3+ -162:sc= 0.463 (180deg=-0.31!) USER MOD Single : B 48 LYS NZ :NH3+ 153:sc= -0.15 (180deg=-0.988) USER MOD Single : B 49 GLN : amide:sc= -0.84 K(o=-0.84,f=-0.016) USER MOD Single : B 55 SER OG : rot 84:sc= 1.21 USER MOD Single : B 57 SER OG : rot 180:sc= -0.0159 USER MOD Single : B 60 GLN : amide:sc= -9.04! C(o=-9!,f=-11!) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -10.967 9.411 -4.262 1.00 0.00 N ATOM 52 CA SER A 5 -11.456 9.977 -2.969 1.00 0.00 C ATOM 53 C SER A 5 -10.474 9.629 -1.841 1.00 0.00 C ATOM 54 O SER A 5 -9.876 10.499 -1.240 1.00 0.00 O ATOM 55 CB SER A 5 -12.852 9.405 -2.664 1.00 0.00 C ATOM 56 OG SER A 5 -12.853 8.785 -1.384 1.00 0.00 O ATOM 0 HA SER A 5 -11.523 11.062 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.595 10.202 -2.692 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.133 8.681 -3.429 1.00 0.00 H new ATOM 0 HG SER A 5 -12.775 9.471 -0.688 1.00 0.00 H new ATOM 62 N ASP A 6 -10.300 8.365 -1.548 1.00 0.00 N ATOM 63 CA ASP A 6 -9.353 7.971 -0.458 1.00 0.00 C ATOM 64 C ASP A 6 -8.841 6.541 -0.695 1.00 0.00 C ATOM 65 O ASP A 6 -9.037 5.681 0.141 1.00 0.00 O ATOM 66 CB ASP A 6 -10.075 8.024 0.896 1.00 0.00 C ATOM 67 CG ASP A 6 -10.914 9.301 0.980 1.00 0.00 C ATOM 68 OD1 ASP A 6 -10.328 10.365 1.083 1.00 0.00 O ATOM 69 OD2 ASP A 6 -12.128 9.192 0.941 1.00 0.00 O ATOM 0 H ASP A 6 -10.771 7.590 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.511 8.663 -0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.714 7.149 1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.349 8.000 1.708 1.00 0.00 H new ATOM 74 N PRO A 7 -8.195 6.316 -1.821 1.00 0.00 N ATOM 75 CA PRO A 7 -7.655 4.980 -2.143 1.00 0.00 C ATOM 76 C PRO A 7 -6.688 4.518 -1.026 1.00 0.00 C ATOM 77 O PRO A 7 -6.340 5.301 -0.164 1.00 0.00 O ATOM 78 CB PRO A 7 -6.921 5.164 -3.494 1.00 0.00 C ATOM 79 CG PRO A 7 -7.070 6.658 -3.911 1.00 0.00 C ATOM 80 CD PRO A 7 -7.954 7.352 -2.851 1.00 0.00 C ATOM 0 HA PRO A 7 -8.428 4.215 -2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.869 4.896 -3.398 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.348 4.510 -4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.093 7.139 -3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.524 6.737 -4.899 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.453 8.222 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.890 7.703 -3.285 1.00 0.00 H new ATOM 88 N PRO A 8 -6.281 3.262 -1.069 1.00 0.00 N ATOM 89 CA PRO A 8 -5.356 2.708 -0.054 1.00 0.00 C ATOM 90 C PRO A 8 -3.995 3.421 -0.127 1.00 0.00 C ATOM 91 O PRO A 8 -3.883 4.518 -0.638 1.00 0.00 O ATOM 92 CB PRO A 8 -5.221 1.208 -0.418 1.00 0.00 C ATOM 93 CG PRO A 8 -5.959 0.989 -1.771 1.00 0.00 C ATOM 94 CD PRO A 8 -6.703 2.299 -2.112 1.00 0.00 C ATOM 0 HA PRO A 8 -5.721 2.845 0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.171 0.927 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.656 0.583 0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.249 0.735 -2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.661 0.158 -1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.439 2.655 -3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.783 2.154 -2.101 1.00 0.00 H new ATOM 102 N THR A 9 -2.962 2.798 0.384 1.00 0.00 N ATOM 103 CA THR A 9 -1.609 3.428 0.350 1.00 0.00 C ATOM 104 C THR A 9 -0.535 2.341 0.407 1.00 0.00 C ATOM 105 O THR A 9 -0.565 1.463 1.246 1.00 0.00 O ATOM 106 CB THR A 9 -1.454 4.358 1.556 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.637 5.131 1.708 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.257 5.287 1.342 1.00 0.00 C ATOM 0 H THR A 9 -2.999 1.878 0.824 1.00 0.00 H new ATOM 0 HA THR A 9 -1.497 3.999 -0.572 1.00 0.00 H new ATOM 0 HB THR A 9 -1.288 3.763 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.627 5.576 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.150 5.947 2.203 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.649 4.692 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.416 5.884 0.444 1.00 0.00 H new ATOM 116 N ALA A 10 0.413 2.398 -0.484 1.00 0.00 N ATOM 117 CA ALA A 10 1.496 1.378 -0.496 1.00 0.00 C ATOM 118 C ALA A 10 2.402 1.564 0.722 1.00 0.00 C ATOM 119 O ALA A 10 3.452 2.169 0.635 1.00 0.00 O ATOM 120 CB ALA A 10 2.322 1.541 -1.770 1.00 0.00 C ATOM 0 H ALA A 10 0.485 3.112 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 10 1.054 0.382 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.118 0.796 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.680 1.404 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.759 2.539 -1.795 1.00 0.00 H new ATOM 126 N CYS A 11 2.010 1.035 1.854 1.00 0.00 N ATOM 127 CA CYS A 11 2.847 1.160 3.090 1.00 0.00 C ATOM 128 C CYS A 11 3.446 -0.211 3.413 1.00 0.00 C ATOM 129 O CYS A 11 2.796 -1.228 3.275 1.00 0.00 O ATOM 130 CB CYS A 11 1.969 1.626 4.256 1.00 0.00 C ATOM 131 SG CYS A 11 1.141 3.174 3.807 1.00 0.00 S ATOM 0 H CYS A 11 1.140 0.518 1.977 1.00 0.00 H new ATOM 0 HA CYS A 11 3.644 1.887 2.932 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.230 0.862 4.496 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.578 1.772 5.148 1.00 0.00 H new ATOM 136 N CYS A 12 4.681 -0.251 3.832 1.00 0.00 N ATOM 137 CA CYS A 12 5.312 -1.564 4.149 1.00 0.00 C ATOM 138 C CYS A 12 4.780 -2.082 5.486 1.00 0.00 C ATOM 139 O CYS A 12 4.478 -1.320 6.383 1.00 0.00 O ATOM 140 CB CYS A 12 6.831 -1.395 4.237 1.00 0.00 C ATOM 141 SG CYS A 12 7.492 -1.014 2.595 1.00 0.00 S ATOM 0 H CYS A 12 5.278 0.564 3.968 1.00 0.00 H new ATOM 0 HA CYS A 12 5.070 -2.278 3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.079 -0.595 4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.287 -2.307 4.622 1.00 0.00 H new ATOM 146 N PHE A 13 4.670 -3.380 5.623 1.00 0.00 N ATOM 147 CA PHE A 13 4.164 -3.973 6.900 1.00 0.00 C ATOM 148 C PHE A 13 5.343 -4.562 7.675 1.00 0.00 C ATOM 149 O PHE A 13 5.280 -4.759 8.872 1.00 0.00 O ATOM 150 CB PHE A 13 3.172 -5.090 6.580 1.00 0.00 C ATOM 151 CG PHE A 13 3.875 -6.172 5.800 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.123 -5.997 4.425 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.287 -7.353 6.447 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.782 -7.005 3.696 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.947 -8.360 5.718 1.00 0.00 C ATOM 156 CZ PHE A 13 5.194 -8.187 4.342 1.00 0.00 C ATOM 0 H PHE A 13 4.910 -4.059 4.901 1.00 0.00 H new ATOM 0 HA PHE A 13 3.672 -3.203 7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.759 -5.500 7.501 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.335 -4.695 6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.808 -5.090 3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.097 -7.486 7.502 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.972 -6.872 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.264 -9.266 6.214 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.699 -8.960 3.782 1.00 0.00 H new ATOM 166 N SER A 14 6.420 -4.841 6.994 1.00 0.00 N ATOM 167 CA SER A 14 7.613 -5.418 7.672 1.00 0.00 C ATOM 168 C SER A 14 8.857 -5.107 6.839 1.00 0.00 C ATOM 169 O SER A 14 8.922 -4.103 6.161 1.00 0.00 O ATOM 170 CB SER A 14 7.447 -6.933 7.799 1.00 0.00 C ATOM 171 OG SER A 14 7.479 -7.518 6.504 1.00 0.00 O ATOM 0 H SER A 14 6.525 -4.693 5.990 1.00 0.00 H new ATOM 0 HA SER A 14 7.718 -4.985 8.667 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.243 -7.347 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.504 -7.167 8.293 1.00 0.00 H new ATOM 0 HG SER A 14 6.599 -7.428 6.082 1.00 0.00 H new ATOM 177 N TYR A 15 9.846 -5.958 6.884 1.00 0.00 N ATOM 178 CA TYR A 15 11.086 -5.701 6.092 1.00 0.00 C ATOM 179 C TYR A 15 11.782 -7.029 5.791 1.00 0.00 C ATOM 180 O TYR A 15 11.505 -8.039 6.407 1.00 0.00 O ATOM 181 CB TYR A 15 12.033 -4.803 6.898 1.00 0.00 C ATOM 182 CG TYR A 15 11.242 -3.736 7.615 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.888 -2.551 6.943 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.859 -3.927 8.956 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.149 -1.557 7.613 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.121 -2.932 9.627 1.00 0.00 C ATOM 187 CZ TYR A 15 9.766 -1.747 8.954 1.00 0.00 C ATOM 188 OH TYR A 15 9.043 -0.772 9.611 1.00 0.00 O ATOM 0 H TYR A 15 9.851 -6.818 7.433 1.00 0.00 H new ATOM 0 HA TYR A 15 10.822 -5.206 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.590 -5.401 7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.764 -4.342 6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.183 -2.404 5.914 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.131 -4.837 9.471 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.876 -0.648 7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.828 -3.078 10.656 1.00 0.00 H new ATOM 0 HH TYR A 15 8.860 -1.063 10.529 1.00 0.00 H new ATOM 198 N THR A 16 12.691 -7.032 4.855 1.00 0.00 N ATOM 199 CA THR A 16 13.407 -8.298 4.534 1.00 0.00 C ATOM 200 C THR A 16 14.157 -8.771 5.784 1.00 0.00 C ATOM 201 O THR A 16 13.780 -8.453 6.894 1.00 0.00 O ATOM 202 CB THR A 16 14.377 -8.064 3.367 1.00 0.00 C ATOM 203 OG1 THR A 16 15.104 -9.254 3.103 1.00 0.00 O ATOM 204 CG2 THR A 16 15.348 -6.932 3.706 1.00 0.00 C ATOM 0 H THR A 16 12.967 -6.220 4.303 1.00 0.00 H new ATOM 0 HA THR A 16 12.696 -9.068 4.233 1.00 0.00 H new ATOM 0 HB THR A 16 13.804 -7.785 2.483 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.721 -9.102 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.031 -6.776 2.871 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.788 -6.016 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.919 -7.196 4.596 1.00 0.00 H new ATOM 212 N ALA A 17 15.207 -9.532 5.625 1.00 0.00 N ATOM 213 CA ALA A 17 15.964 -10.023 6.817 1.00 0.00 C ATOM 214 C ALA A 17 17.453 -10.089 6.481 1.00 0.00 C ATOM 215 O ALA A 17 18.250 -10.593 7.246 1.00 0.00 O ATOM 216 CB ALA A 17 15.466 -11.421 7.187 1.00 0.00 C ATOM 0 H ALA A 17 15.574 -9.835 4.723 1.00 0.00 H new ATOM 0 HA ALA A 17 15.810 -9.343 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.015 -11.785 8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.402 -11.378 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.626 -12.098 6.348 1.00 0.00 H new ATOM 222 N ARG A 18 17.834 -9.583 5.339 1.00 0.00 N ATOM 223 CA ARG A 18 19.273 -9.612 4.942 1.00 0.00 C ATOM 224 C ARG A 18 19.611 -8.334 4.175 1.00 0.00 C ATOM 225 O ARG A 18 18.880 -7.914 3.300 1.00 0.00 O ATOM 226 CB ARG A 18 19.524 -10.824 4.045 1.00 0.00 C ATOM 227 CG ARG A 18 19.100 -12.104 4.778 1.00 0.00 C ATOM 228 CD ARG A 18 19.755 -13.322 4.124 1.00 0.00 C ATOM 229 NE ARG A 18 19.712 -13.191 2.630 1.00 0.00 N ATOM 230 CZ ARG A 18 18.586 -13.016 1.990 1.00 0.00 C ATOM 231 NH1 ARG A 18 17.446 -13.124 2.614 1.00 0.00 N ATOM 232 NH2 ARG A 18 18.601 -12.782 0.705 1.00 0.00 N ATOM 0 H ARG A 18 17.208 -9.149 4.661 1.00 0.00 H new ATOM 0 HA ARG A 18 19.899 -9.680 5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.964 -10.723 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.579 -10.879 3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.389 -12.045 5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.015 -12.206 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.788 -13.413 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.239 -14.231 4.432 1.00 0.00 H new ATOM 0 HE ARG A 18 20.583 -13.240 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.428 -13.347 3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 18 16.572 -12.986 2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.489 -12.737 0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.725 -12.645 0.201 1.00 0.00 H new ATOM 246 N LYS A 19 20.717 -7.715 4.486 1.00 0.00 N ATOM 247 CA LYS A 19 21.093 -6.470 3.762 1.00 0.00 C ATOM 248 C LYS A 19 21.321 -6.812 2.285 1.00 0.00 C ATOM 249 O LYS A 19 22.025 -7.744 1.954 1.00 0.00 O ATOM 250 CB LYS A 19 22.372 -5.884 4.385 1.00 0.00 C ATOM 251 CG LYS A 19 23.061 -4.931 3.396 1.00 0.00 C ATOM 252 CD LYS A 19 24.085 -4.068 4.135 1.00 0.00 C ATOM 253 CE LYS A 19 25.212 -4.941 4.693 1.00 0.00 C ATOM 254 NZ LYS A 19 25.687 -5.885 3.642 1.00 0.00 N ATOM 0 H LYS A 19 21.373 -8.016 5.207 1.00 0.00 H new ATOM 0 HA LYS A 19 20.298 -5.728 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.126 -5.350 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.053 -6.690 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.554 -5.503 2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.319 -4.296 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.497 -3.320 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.598 -3.529 4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.037 -4.314 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.858 -5.497 5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.645 -6.214 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.044 -6.701 3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.704 -5.400 2.722 1.00 0.00 H new ATOM 268 N LEU A 20 20.724 -6.064 1.401 1.00 0.00 N ATOM 269 CA LEU A 20 20.899 -6.342 -0.050 1.00 0.00 C ATOM 270 C LEU A 20 22.310 -5.895 -0.495 1.00 0.00 C ATOM 271 O LEU A 20 22.649 -4.746 -0.299 1.00 0.00 O ATOM 272 CB LEU A 20 19.867 -5.532 -0.836 1.00 0.00 C ATOM 273 CG LEU A 20 18.486 -5.672 -0.192 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.449 -4.988 -1.081 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.129 -7.156 -0.041 1.00 0.00 C ATOM 0 H LEU A 20 20.122 -5.271 1.621 1.00 0.00 H new ATOM 0 HA LEU A 20 20.771 -7.409 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.160 -4.482 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.832 -5.878 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 20 18.496 -5.205 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.462 -5.084 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.699 -3.932 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.445 -5.459 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.145 -7.249 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.117 -7.629 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.871 -7.646 0.589 1.00 0.00 H new ATOM 287 N PRO A 21 23.103 -6.772 -1.094 1.00 0.00 N ATOM 288 CA PRO A 21 24.445 -6.372 -1.552 1.00 0.00 C ATOM 289 C PRO A 21 24.328 -5.169 -2.489 1.00 0.00 C ATOM 290 O PRO A 21 23.394 -5.064 -3.257 1.00 0.00 O ATOM 291 CB PRO A 21 24.998 -7.603 -2.305 1.00 0.00 C ATOM 292 CG PRO A 21 24.000 -8.773 -2.074 1.00 0.00 C ATOM 293 CD PRO A 21 22.759 -8.189 -1.363 1.00 0.00 C ATOM 0 HA PRO A 21 25.100 -6.079 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.100 -7.389 -3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.990 -7.865 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.719 -9.230 -3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.458 -9.554 -1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.871 -8.267 -1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.545 -8.726 -0.439 1.00 0.00 H new ATOM 301 N ARG A 22 25.271 -4.270 -2.450 1.00 0.00 N ATOM 302 CA ARG A 22 25.205 -3.099 -3.366 1.00 0.00 C ATOM 303 C ARG A 22 24.966 -3.607 -4.790 1.00 0.00 C ATOM 304 O ARG A 22 24.313 -2.969 -5.591 1.00 0.00 O ATOM 305 CB ARG A 22 26.523 -2.324 -3.304 1.00 0.00 C ATOM 306 CG ARG A 22 26.307 -0.917 -3.865 1.00 0.00 C ATOM 307 CD ARG A 22 27.636 -0.170 -3.891 1.00 0.00 C ATOM 308 NE ARG A 22 28.006 0.238 -2.506 1.00 0.00 N ATOM 309 CZ ARG A 22 29.225 0.619 -2.243 1.00 0.00 C ATOM 310 NH1 ARG A 22 30.121 0.642 -3.192 1.00 0.00 N ATOM 311 NH2 ARG A 22 29.549 0.976 -1.030 1.00 0.00 N ATOM 0 H ARG A 22 26.079 -4.295 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 22 24.393 -2.436 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.877 -2.267 -2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.291 -2.843 -3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.891 -0.975 -4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.586 -0.376 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 22 28.414 -0.806 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 22 27.559 0.709 -4.532 1.00 0.00 H new ATOM 0 HE ARG A 22 27.306 0.219 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.868 0.362 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 22 31.074 0.940 -2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 22 28.849 0.957 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 22 30.502 1.274 -0.824 1.00 0.00 H new ATOM 325 N ASN A 23 25.492 -4.762 -5.101 1.00 0.00 N ATOM 326 CA ASN A 23 25.303 -5.334 -6.465 1.00 0.00 C ATOM 327 C ASN A 23 23.867 -5.839 -6.617 1.00 0.00 C ATOM 328 O ASN A 23 23.558 -6.594 -7.517 1.00 0.00 O ATOM 329 CB ASN A 23 26.275 -6.497 -6.669 1.00 0.00 C ATOM 330 CG ASN A 23 27.687 -6.052 -6.287 1.00 0.00 C ATOM 331 OD1 ASN A 23 28.623 -6.823 -6.366 1.00 0.00 O ATOM 332 ND2 ASN A 23 27.880 -4.831 -5.872 1.00 0.00 N ATOM 0 H ASN A 23 26.047 -5.336 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 23 25.496 -4.562 -7.210 1.00 0.00 H new ATOM 0 HB2 ASN A 23 25.973 -7.349 -6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.254 -6.825 -7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 23 28.817 -4.522 -5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.094 -4.185 -5.806 1.00 0.00 H new ATOM 339 N PHE A 24 22.987 -5.436 -5.735 1.00 0.00 N ATOM 340 CA PHE A 24 21.566 -5.901 -5.817 1.00 0.00 C ATOM 341 C PHE A 24 20.639 -4.724 -5.490 1.00 0.00 C ATOM 342 O PHE A 24 19.539 -4.901 -5.006 1.00 0.00 O ATOM 343 CB PHE A 24 21.357 -7.035 -4.797 1.00 0.00 C ATOM 344 CG PHE A 24 20.168 -7.891 -5.182 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.173 -8.593 -6.405 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.059 -7.996 -4.317 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.073 -9.396 -6.760 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.960 -8.800 -4.675 1.00 0.00 C ATOM 349 CZ PHE A 24 17.967 -9.500 -5.896 1.00 0.00 C ATOM 0 H PHE A 24 23.190 -4.804 -4.960 1.00 0.00 H new ATOM 0 HA PHE A 24 21.341 -6.268 -6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.254 -7.653 -4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.201 -6.613 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.021 -8.514 -7.069 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.053 -7.460 -3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.078 -9.933 -7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.111 -8.880 -4.012 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.124 -10.117 -6.170 1.00 0.00 H new ATOM 359 N VAL A 25 21.081 -3.524 -5.761 1.00 0.00 N ATOM 360 CA VAL A 25 20.242 -2.321 -5.480 1.00 0.00 C ATOM 361 C VAL A 25 20.583 -1.229 -6.496 1.00 0.00 C ATOM 362 O VAL A 25 21.442 -0.401 -6.267 1.00 0.00 O ATOM 363 CB VAL A 25 20.538 -1.802 -4.069 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.603 -0.636 -3.748 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.313 -2.921 -3.051 1.00 0.00 C ATOM 0 H VAL A 25 21.995 -3.324 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 25 19.188 -2.587 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 25 21.574 -1.467 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.813 -0.267 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.760 0.165 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.568 -0.974 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.524 -2.549 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.277 -3.257 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.977 -3.756 -3.275 1.00 0.00 H new ATOM 375 N VAL A 26 19.923 -1.227 -7.622 1.00 0.00 N ATOM 376 CA VAL A 26 20.212 -0.196 -8.658 1.00 0.00 C ATOM 377 C VAL A 26 19.435 1.082 -8.351 1.00 0.00 C ATOM 378 O VAL A 26 19.680 2.121 -8.931 1.00 0.00 O ATOM 379 CB VAL A 26 19.795 -0.733 -10.027 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.664 -1.936 -10.387 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.325 -1.161 -9.986 1.00 0.00 C ATOM 0 H VAL A 26 19.194 -1.897 -7.869 1.00 0.00 H new ATOM 0 HA VAL A 26 21.278 0.029 -8.659 1.00 0.00 H new ATOM 0 HB VAL A 26 19.924 0.048 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.368 -2.320 -11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.710 -1.632 -10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.535 -2.716 -9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.030 -1.543 -10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.194 -1.941 -9.236 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.703 -0.303 -9.729 1.00 0.00 H new ATOM 391 N ASP A 27 18.498 1.019 -7.448 1.00 0.00 N ATOM 392 CA ASP A 27 17.713 2.240 -7.118 1.00 0.00 C ATOM 393 C ASP A 27 16.860 1.976 -5.882 1.00 0.00 C ATOM 394 O ASP A 27 16.993 0.958 -5.231 1.00 0.00 O ATOM 395 CB ASP A 27 16.807 2.597 -8.300 1.00 0.00 C ATOM 396 CG ASP A 27 16.245 4.006 -8.105 1.00 0.00 C ATOM 397 OD1 ASP A 27 17.019 4.892 -7.787 1.00 0.00 O ATOM 398 OD2 ASP A 27 15.049 4.174 -8.278 1.00 0.00 O ATOM 0 H ASP A 27 18.243 0.180 -6.927 1.00 0.00 H new ATOM 0 HA ASP A 27 18.393 3.069 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.370 2.544 -9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.993 1.877 -8.378 1.00 0.00 H new ATOM 403 N TYR A 28 15.981 2.881 -5.548 1.00 0.00 N ATOM 404 CA TYR A 28 15.122 2.671 -4.351 1.00 0.00 C ATOM 405 C TYR A 28 13.835 3.479 -4.482 1.00 0.00 C ATOM 406 O TYR A 28 13.580 4.118 -5.483 1.00 0.00 O ATOM 407 CB TYR A 28 15.874 3.086 -3.082 1.00 0.00 C ATOM 408 CG TYR A 28 15.990 4.597 -2.996 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.733 5.307 -3.960 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.367 5.292 -1.940 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.848 6.707 -3.869 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.483 6.690 -1.848 1.00 0.00 C ATOM 413 CZ TYR A 28 16.223 7.400 -2.813 1.00 0.00 C ATOM 414 OH TYR A 28 16.338 8.772 -2.723 1.00 0.00 O ATOM 0 H TYR A 28 15.822 3.754 -6.051 1.00 0.00 H new ATOM 0 HA TYR A 28 14.870 1.613 -4.281 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.352 2.706 -2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.868 2.639 -3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.214 4.777 -4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.799 4.749 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.416 7.251 -4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.005 7.219 -1.037 1.00 0.00 H new ATOM 0 HH TYR A 28 15.846 9.091 -1.937 1.00 0.00 H new ATOM 424 N TYR A 29 13.019 3.431 -3.474 1.00 0.00 N ATOM 425 CA TYR A 29 11.731 4.166 -3.507 1.00 0.00 C ATOM 426 C TYR A 29 11.227 4.316 -2.066 1.00 0.00 C ATOM 427 O TYR A 29 11.252 3.381 -1.299 1.00 0.00 O ATOM 428 CB TYR A 29 10.741 3.352 -4.359 1.00 0.00 C ATOM 429 CG TYR A 29 9.316 3.754 -4.060 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.834 5.001 -4.493 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.473 2.878 -3.349 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.505 5.376 -4.214 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.144 3.251 -3.070 1.00 0.00 C ATOM 434 CZ TYR A 29 6.660 4.502 -3.502 1.00 0.00 C ATOM 435 OH TYR A 29 5.359 4.870 -3.229 1.00 0.00 O ATOM 0 H TYR A 29 13.192 2.907 -2.616 1.00 0.00 H new ATOM 0 HA TYR A 29 11.842 5.158 -3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.953 3.507 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.873 2.288 -4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.482 5.671 -5.039 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.846 1.920 -3.018 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.134 6.334 -4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.497 2.579 -2.526 1.00 0.00 H new ATOM 0 HH TYR A 29 4.914 4.153 -2.732 1.00 0.00 H new ATOM 445 N GLU A 30 10.775 5.480 -1.685 1.00 0.00 N ATOM 446 CA GLU A 30 10.281 5.664 -0.284 1.00 0.00 C ATOM 447 C GLU A 30 8.769 5.411 -0.238 1.00 0.00 C ATOM 448 O GLU A 30 8.076 5.535 -1.228 1.00 0.00 O ATOM 449 CB GLU A 30 10.578 7.092 0.179 1.00 0.00 C ATOM 450 CG GLU A 30 12.061 7.220 0.532 1.00 0.00 C ATOM 451 CD GLU A 30 12.350 8.640 1.020 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.757 9.037 2.010 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.159 9.308 0.397 1.00 0.00 O ATOM 0 H GLU A 30 10.725 6.309 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 30 10.786 4.958 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.319 7.801 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.965 7.339 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.325 6.498 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.674 6.992 -0.340 1.00 0.00 H new ATOM 460 N THR A 31 8.259 5.049 0.908 1.00 0.00 N ATOM 461 CA THR A 31 6.795 4.774 1.032 1.00 0.00 C ATOM 462 C THR A 31 6.003 6.083 0.989 1.00 0.00 C ATOM 463 O THR A 31 6.517 7.126 0.635 1.00 0.00 O ATOM 464 CB THR A 31 6.530 4.077 2.369 1.00 0.00 C ATOM 465 OG1 THR A 31 7.239 4.759 3.386 1.00 0.00 O ATOM 466 CG2 THR A 31 6.998 2.622 2.288 1.00 0.00 C ATOM 0 H THR A 31 8.794 4.931 1.768 1.00 0.00 H new ATOM 0 HA THR A 31 6.481 4.139 0.203 1.00 0.00 H new ATOM 0 HB THR A 31 5.464 4.092 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.171 5.726 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.809 2.126 3.240 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.453 2.108 1.496 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.066 2.595 2.070 1.00 0.00 H new ATOM 474 N SER A 32 4.750 6.026 1.353 1.00 0.00 N ATOM 475 CA SER A 32 3.902 7.250 1.346 1.00 0.00 C ATOM 476 C SER A 32 4.090 8.010 2.657 1.00 0.00 C ATOM 477 O SER A 32 5.173 8.073 3.205 1.00 0.00 O ATOM 478 CB SER A 32 2.435 6.845 1.204 1.00 0.00 C ATOM 479 OG SER A 32 1.652 8.001 0.938 1.00 0.00 O ATOM 0 H SER A 32 4.275 5.176 1.657 1.00 0.00 H new ATOM 0 HA SER A 32 4.191 7.888 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.322 6.122 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.090 6.360 2.117 1.00 0.00 H new ATOM 0 HG SER A 32 0.701 7.774 1.003 1.00 0.00 H new ATOM 485 N SER A 33 3.037 8.591 3.160 1.00 0.00 N ATOM 486 CA SER A 33 3.127 9.360 4.439 1.00 0.00 C ATOM 487 C SER A 33 1.858 9.126 5.251 1.00 0.00 C ATOM 488 O SER A 33 1.885 9.049 6.463 1.00 0.00 O ATOM 489 CB SER A 33 3.240 10.846 4.118 1.00 0.00 C ATOM 490 OG SER A 33 1.945 11.366 3.844 1.00 0.00 O ATOM 0 H SER A 33 2.109 8.567 2.738 1.00 0.00 H new ATOM 0 HA SER A 33 3.998 9.033 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.688 11.378 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.894 10.996 3.259 1.00 0.00 H new ATOM 0 HG SER A 33 1.559 10.894 3.077 1.00 0.00 H new ATOM 496 N LEU A 34 0.744 9.021 4.578 1.00 0.00 N ATOM 497 CA LEU A 34 -0.560 8.798 5.272 1.00 0.00 C ATOM 498 C LEU A 34 -0.386 7.806 6.424 1.00 0.00 C ATOM 499 O LEU A 34 -0.705 8.094 7.561 1.00 0.00 O ATOM 500 CB LEU A 34 -1.574 8.229 4.280 1.00 0.00 C ATOM 501 CG LEU A 34 -1.495 8.982 2.951 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.637 8.523 2.045 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.613 10.488 3.205 1.00 0.00 C ATOM 0 H LEU A 34 0.680 9.081 3.562 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.913 9.751 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.379 7.169 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.580 8.308 4.692 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.540 8.774 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.586 9.057 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.550 7.452 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.591 8.733 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.556 11.022 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.567 10.702 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.799 10.812 3.853 1.00 0.00 H new ATOM 515 N CYS A 35 0.113 6.641 6.134 1.00 0.00 N ATOM 516 CA CYS A 35 0.301 5.629 7.208 1.00 0.00 C ATOM 517 C CYS A 35 1.421 6.089 8.147 1.00 0.00 C ATOM 518 O CYS A 35 2.494 6.451 7.721 1.00 0.00 O ATOM 519 CB CYS A 35 0.653 4.272 6.585 1.00 0.00 C ATOM 520 SG CYS A 35 1.777 4.509 5.186 1.00 0.00 S ATOM 0 H CYS A 35 0.399 6.344 5.201 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.622 5.523 7.778 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.119 3.629 7.332 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.255 3.768 6.252 1.00 0.00 H new ATOM 525 N SER A 36 1.159 6.104 9.424 1.00 0.00 N ATOM 526 CA SER A 36 2.189 6.554 10.405 1.00 0.00 C ATOM 527 C SER A 36 3.379 5.584 10.445 1.00 0.00 C ATOM 528 O SER A 36 3.997 5.412 11.477 1.00 0.00 O ATOM 529 CB SER A 36 1.558 6.633 11.795 1.00 0.00 C ATOM 530 OG SER A 36 0.902 5.404 12.082 1.00 0.00 O ATOM 0 H SER A 36 0.269 5.822 9.834 1.00 0.00 H new ATOM 0 HA SER A 36 2.554 7.534 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.324 6.834 12.544 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.846 7.457 11.838 1.00 0.00 H new ATOM 0 HG SER A 36 0.497 5.450 12.973 1.00 0.00 H new ATOM 536 N GLN A 37 3.719 4.939 9.355 1.00 0.00 N ATOM 537 CA GLN A 37 4.876 3.992 9.400 1.00 0.00 C ATOM 538 C GLN A 37 5.519 3.843 8.013 1.00 0.00 C ATOM 539 O GLN A 37 5.485 2.772 7.442 1.00 0.00 O ATOM 540 CB GLN A 37 4.384 2.622 9.876 1.00 0.00 C ATOM 541 CG GLN A 37 3.098 2.251 9.135 1.00 0.00 C ATOM 542 CD GLN A 37 2.642 0.856 9.569 1.00 0.00 C ATOM 543 OE1 GLN A 37 2.820 0.473 10.707 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.058 0.076 8.702 1.00 0.00 N ATOM 0 H GLN A 37 3.254 5.025 8.451 1.00 0.00 H new ATOM 0 HA GLN A 37 5.623 4.388 10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.150 1.867 9.696 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.203 2.643 10.951 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.319 2.983 9.349 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.267 2.271 8.058 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.908 0.398 7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.751 -0.856 8.980 1.00 0.00 H new ATOM 553 N PRO A 38 6.110 4.907 7.512 1.00 0.00 N ATOM 554 CA PRO A 38 6.782 4.869 6.200 1.00 0.00 C ATOM 555 C PRO A 38 8.044 3.999 6.309 1.00 0.00 C ATOM 556 O PRO A 38 8.393 3.520 7.371 1.00 0.00 O ATOM 557 CB PRO A 38 7.146 6.342 5.900 1.00 0.00 C ATOM 558 CG PRO A 38 6.848 7.165 7.189 1.00 0.00 C ATOM 559 CD PRO A 38 6.151 6.220 8.194 1.00 0.00 C ATOM 0 HA PRO A 38 6.163 4.444 5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.197 6.429 5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.562 6.719 5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.771 7.561 7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.210 8.019 6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.704 6.162 9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.148 6.571 8.437 1.00 0.00 H new ATOM 567 N ALA A 39 8.723 3.802 5.221 1.00 0.00 N ATOM 568 CA ALA A 39 9.958 2.981 5.237 1.00 0.00 C ATOM 569 C ALA A 39 10.674 3.181 3.906 1.00 0.00 C ATOM 570 O ALA A 39 10.111 3.718 2.972 1.00 0.00 O ATOM 571 CB ALA A 39 9.592 1.506 5.407 1.00 0.00 C ATOM 0 H ALA A 39 8.471 4.180 4.308 1.00 0.00 H new ATOM 0 HA ALA A 39 10.602 3.280 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.501 0.905 5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.055 1.370 6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.959 1.190 4.578 1.00 0.00 H new ATOM 577 N VAL A 40 11.900 2.746 3.794 1.00 0.00 N ATOM 578 CA VAL A 40 12.630 2.906 2.502 1.00 0.00 C ATOM 579 C VAL A 40 12.512 1.599 1.729 1.00 0.00 C ATOM 580 O VAL A 40 12.668 0.524 2.274 1.00 0.00 O ATOM 581 CB VAL A 40 14.107 3.225 2.769 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.925 3.009 1.491 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.230 4.685 3.195 1.00 0.00 C ATOM 0 H VAL A 40 12.427 2.288 4.538 1.00 0.00 H new ATOM 0 HA VAL A 40 12.201 3.726 1.926 1.00 0.00 H new ATOM 0 HB VAL A 40 14.482 2.569 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.973 3.237 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.833 1.971 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.552 3.665 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.277 4.921 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.853 5.329 2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.649 4.850 4.102 1.00 0.00 H new ATOM 593 N VAL A 41 12.224 1.692 0.461 1.00 0.00 N ATOM 594 CA VAL A 41 12.073 0.467 -0.385 1.00 0.00 C ATOM 595 C VAL A 41 13.232 0.386 -1.382 1.00 0.00 C ATOM 596 O VAL A 41 13.414 1.257 -2.203 1.00 0.00 O ATOM 597 CB VAL A 41 10.738 0.540 -1.133 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.339 -0.852 -1.618 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.657 1.068 -0.185 1.00 0.00 C ATOM 0 H VAL A 41 12.085 2.573 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 41 12.088 -0.423 0.243 1.00 0.00 H new ATOM 0 HB VAL A 41 10.842 1.206 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.389 -0.794 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.107 -1.237 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.236 -1.520 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.705 1.122 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.562 0.396 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.934 2.062 0.165 1.00 0.00 H new ATOM 609 N PHE A 42 14.025 -0.650 -1.316 1.00 0.00 N ATOM 610 CA PHE A 42 15.178 -0.768 -2.261 1.00 0.00 C ATOM 611 C PHE A 42 14.746 -1.506 -3.530 1.00 0.00 C ATOM 612 O PHE A 42 14.085 -2.524 -3.477 1.00 0.00 O ATOM 613 CB PHE A 42 16.314 -1.557 -1.591 1.00 0.00 C ATOM 614 CG PHE A 42 17.059 -0.673 -0.614 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.764 0.457 -1.077 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.061 -0.985 0.760 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.464 1.273 -0.169 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.762 -0.170 1.668 1.00 0.00 C ATOM 619 CZ PHE A 42 18.464 0.959 1.204 1.00 0.00 C ATOM 0 H PHE A 42 13.927 -1.418 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 42 15.521 0.233 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.907 -2.424 -1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.001 -1.934 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.767 0.697 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.524 -1.851 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.001 2.140 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.762 -0.410 2.721 1.00 0.00 H new ATOM 0 HZ PHE A 42 19.002 1.584 1.901 1.00 0.00 H new ATOM 629 N GLN A 43 15.143 -1.010 -4.672 1.00 0.00 N ATOM 630 CA GLN A 43 14.794 -1.680 -5.959 1.00 0.00 C ATOM 631 C GLN A 43 15.985 -2.556 -6.360 1.00 0.00 C ATOM 632 O GLN A 43 17.094 -2.070 -6.492 1.00 0.00 O ATOM 633 CB GLN A 43 14.536 -0.613 -7.025 1.00 0.00 C ATOM 634 CG GLN A 43 13.285 0.185 -6.654 1.00 0.00 C ATOM 635 CD GLN A 43 13.211 1.448 -7.513 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.684 1.464 -8.633 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.633 2.516 -7.035 1.00 0.00 N ATOM 0 H GLN A 43 15.700 -0.161 -4.769 1.00 0.00 H new ATOM 0 HA GLN A 43 13.897 -2.291 -5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.395 0.053 -7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.406 -1.082 -8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.394 -0.424 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.311 0.452 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.236 2.504 -6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.578 3.363 -7.601 1.00 0.00 H new ATOM 646 N THR A 44 15.783 -3.849 -6.513 1.00 0.00 N ATOM 647 CA THR A 44 16.939 -4.749 -6.850 1.00 0.00 C ATOM 648 C THR A 44 17.008 -5.049 -8.348 1.00 0.00 C ATOM 649 O THR A 44 16.455 -4.344 -9.169 1.00 0.00 O ATOM 650 CB THR A 44 16.789 -6.067 -6.093 1.00 0.00 C ATOM 651 OG1 THR A 44 15.876 -6.904 -6.785 1.00 0.00 O ATOM 652 CG2 THR A 44 16.264 -5.786 -4.685 1.00 0.00 C ATOM 0 H THR A 44 14.880 -4.314 -6.420 1.00 0.00 H new ATOM 0 HA THR A 44 17.856 -4.236 -6.560 1.00 0.00 H new ATOM 0 HB THR A 44 17.757 -6.564 -6.025 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.177 -7.835 -6.726 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.156 -6.725 -4.143 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.966 -5.141 -4.157 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.295 -5.291 -4.750 1.00 0.00 H new ATOM 660 N LYS A 45 17.711 -6.103 -8.696 1.00 0.00 N ATOM 661 CA LYS A 45 17.868 -6.495 -10.131 1.00 0.00 C ATOM 662 C LYS A 45 17.105 -7.795 -10.408 1.00 0.00 C ATOM 663 O LYS A 45 16.672 -8.037 -11.517 1.00 0.00 O ATOM 664 CB LYS A 45 19.356 -6.727 -10.429 1.00 0.00 C ATOM 665 CG LYS A 45 20.199 -5.601 -9.825 1.00 0.00 C ATOM 666 CD LYS A 45 21.679 -5.873 -10.109 1.00 0.00 C ATOM 667 CE LYS A 45 22.521 -4.664 -9.691 1.00 0.00 C ATOM 668 NZ LYS A 45 23.945 -5.079 -9.545 1.00 0.00 N ATOM 0 H LYS A 45 18.189 -6.715 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 45 17.472 -5.699 -10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.671 -7.687 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.516 -6.773 -11.506 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.905 -4.642 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.028 -5.539 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.005 -6.760 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.823 -6.078 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.436 -3.873 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.151 -4.257 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.465 -4.354 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.992 -5.985 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.373 -5.189 -10.487 1.00 0.00 H new ATOM 682 N ARG A 46 16.947 -8.637 -9.410 1.00 0.00 N ATOM 683 CA ARG A 46 16.221 -9.937 -9.611 1.00 0.00 C ATOM 684 C ARG A 46 15.008 -9.965 -8.680 1.00 0.00 C ATOM 685 O ARG A 46 14.747 -10.930 -7.997 1.00 0.00 O ATOM 686 CB ARG A 46 17.176 -11.106 -9.285 1.00 0.00 C ATOM 687 CG ARG A 46 16.718 -12.418 -9.973 1.00 0.00 C ATOM 688 CD ARG A 46 15.609 -13.124 -9.171 1.00 0.00 C ATOM 689 NE ARG A 46 15.673 -14.599 -9.428 1.00 0.00 N ATOM 690 CZ ARG A 46 15.695 -15.077 -10.644 1.00 0.00 C ATOM 691 NH1 ARG A 46 15.455 -14.304 -11.667 1.00 0.00 N ATOM 692 NH2 ARG A 46 15.899 -16.353 -10.832 1.00 0.00 N ATOM 0 H ARG A 46 17.290 -8.480 -8.463 1.00 0.00 H new ATOM 0 HA ARG A 46 15.887 -10.034 -10.644 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.185 -10.855 -9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.217 -11.254 -8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.356 -12.195 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.571 -13.088 -10.083 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.730 -12.923 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.632 -12.735 -9.459 1.00 0.00 H new ATOM 0 HE ARG A 46 15.700 -15.243 -8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.248 -13.316 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.475 -14.688 -12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.040 -16.970 -10.032 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.917 -16.733 -11.779 1.00 0.00 H new ATOM 706 N SER A 47 14.262 -8.905 -8.654 1.00 0.00 N ATOM 707 CA SER A 47 13.063 -8.856 -7.790 1.00 0.00 C ATOM 708 C SER A 47 12.225 -7.661 -8.223 1.00 0.00 C ATOM 709 O SER A 47 11.793 -7.571 -9.357 1.00 0.00 O ATOM 710 CB SER A 47 13.476 -8.725 -6.317 1.00 0.00 C ATOM 711 OG SER A 47 14.537 -9.630 -6.044 1.00 0.00 O ATOM 0 H SER A 47 14.434 -8.061 -9.201 1.00 0.00 H new ATOM 0 HA SER A 47 12.483 -9.773 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.791 -7.703 -6.105 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.626 -8.937 -5.669 1.00 0.00 H new ATOM 0 HG SER A 47 14.391 -10.464 -6.538 1.00 0.00 H new ATOM 717 N LYS A 48 12.004 -6.739 -7.349 1.00 0.00 N ATOM 718 CA LYS A 48 11.216 -5.542 -7.709 1.00 0.00 C ATOM 719 C LYS A 48 11.513 -4.459 -6.679 1.00 0.00 C ATOM 720 O LYS A 48 12.310 -3.570 -6.908 1.00 0.00 O ATOM 721 CB LYS A 48 9.722 -5.893 -7.720 1.00 0.00 C ATOM 722 CG LYS A 48 8.959 -4.837 -8.516 1.00 0.00 C ATOM 723 CD LYS A 48 7.458 -4.982 -8.255 1.00 0.00 C ATOM 724 CE LYS A 48 6.680 -4.128 -9.258 1.00 0.00 C ATOM 725 NZ LYS A 48 6.945 -4.618 -10.640 1.00 0.00 N ATOM 0 H LYS A 48 12.339 -6.761 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 48 11.483 -5.184 -8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.572 -6.877 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.341 -5.941 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.293 -3.840 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.166 -4.950 -9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.162 -6.027 -8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.223 -4.670 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.613 -4.177 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.976 -3.083 -9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.127 -4.406 -11.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.790 -4.145 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.103 -5.646 -10.620 1.00 0.00 H new ATOM 739 N GLN A 49 10.899 -4.552 -5.530 1.00 0.00 N ATOM 740 CA GLN A 49 11.140 -3.556 -4.450 1.00 0.00 C ATOM 741 C GLN A 49 11.168 -4.305 -3.110 1.00 0.00 C ATOM 742 O GLN A 49 10.465 -5.280 -2.921 1.00 0.00 O ATOM 743 CB GLN A 49 10.022 -2.484 -4.458 1.00 0.00 C ATOM 744 CG GLN A 49 9.297 -2.488 -5.808 1.00 0.00 C ATOM 745 CD GLN A 49 8.250 -1.372 -5.829 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.175 -1.543 -6.368 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.521 -0.229 -5.260 1.00 0.00 N ATOM 0 H GLN A 49 10.232 -5.286 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 49 12.090 -3.046 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.312 -2.682 -3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.450 -1.500 -4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.013 -2.345 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.818 -3.453 -5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.424 -0.086 -4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.830 0.521 -5.268 1.00 0.00 H new ATOM 756 N VAL A 50 11.985 -3.867 -2.189 1.00 0.00 N ATOM 757 CA VAL A 50 12.081 -4.552 -0.861 1.00 0.00 C ATOM 758 C VAL A 50 12.035 -3.505 0.244 1.00 0.00 C ATOM 759 O VAL A 50 12.792 -2.560 0.240 1.00 0.00 O ATOM 760 CB VAL A 50 13.408 -5.317 -0.790 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.455 -6.169 0.483 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.536 -6.224 -2.022 1.00 0.00 C ATOM 0 H VAL A 50 12.596 -3.058 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 50 11.251 -5.247 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 50 14.233 -4.605 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.401 -6.709 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.367 -5.523 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.631 -6.882 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.478 -6.770 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.707 -6.932 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.514 -5.615 -2.926 1.00 0.00 H new ATOM 772 N CYS A 51 11.157 -3.670 1.194 1.00 0.00 N ATOM 773 CA CYS A 51 11.059 -2.678 2.296 1.00 0.00 C ATOM 774 C CYS A 51 12.267 -2.822 3.217 1.00 0.00 C ATOM 775 O CYS A 51 12.817 -3.895 3.377 1.00 0.00 O ATOM 776 CB CYS A 51 9.777 -2.936 3.086 1.00 0.00 C ATOM 777 SG CYS A 51 8.347 -2.742 1.993 1.00 0.00 S ATOM 0 H CYS A 51 10.503 -4.451 1.253 1.00 0.00 H new ATOM 0 HA CYS A 51 11.039 -1.669 1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.793 -3.941 3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.706 -2.241 3.922 1.00 0.00 H new ATOM 782 N ALA A 52 12.694 -1.742 3.817 1.00 0.00 N ATOM 783 CA ALA A 52 13.882 -1.796 4.724 1.00 0.00 C ATOM 784 C ALA A 52 13.652 -0.876 5.924 1.00 0.00 C ATOM 785 O ALA A 52 13.213 0.249 5.783 1.00 0.00 O ATOM 786 CB ALA A 52 15.119 -1.320 3.959 1.00 0.00 C ATOM 0 H ALA A 52 12.270 -0.820 3.718 1.00 0.00 H new ATOM 0 HA ALA A 52 14.029 -2.819 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.989 -1.357 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.286 -1.967 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.965 -0.296 3.618 1.00 0.00 H new ATOM 792 N ASP A 53 13.950 -1.347 7.104 1.00 0.00 N ATOM 793 CA ASP A 53 13.754 -0.505 8.319 1.00 0.00 C ATOM 794 C ASP A 53 14.773 0.662 8.302 1.00 0.00 C ATOM 795 O ASP A 53 15.959 0.405 8.346 1.00 0.00 O ATOM 796 CB ASP A 53 14.008 -1.364 9.561 1.00 0.00 C ATOM 797 CG ASP A 53 13.504 -0.626 10.802 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.566 0.592 10.810 1.00 0.00 O ATOM 799 OD2 ASP A 53 13.064 -1.292 11.725 1.00 0.00 O ATOM 0 H ASP A 53 14.322 -2.281 7.280 1.00 0.00 H new ATOM 0 HA ASP A 53 12.739 -0.109 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.499 -2.323 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.073 -1.576 9.658 1.00 0.00 H new ATOM 804 N PRO A 54 14.324 1.911 8.240 1.00 0.00 N ATOM 805 CA PRO A 54 15.268 3.051 8.222 1.00 0.00 C ATOM 806 C PRO A 54 16.087 3.076 9.522 1.00 0.00 C ATOM 807 O PRO A 54 17.015 3.847 9.667 1.00 0.00 O ATOM 808 CB PRO A 54 14.381 4.311 8.105 1.00 0.00 C ATOM 809 CG PRO A 54 12.898 3.842 8.096 1.00 0.00 C ATOM 810 CD PRO A 54 12.894 2.300 8.181 1.00 0.00 C ATOM 0 HA PRO A 54 15.981 2.986 7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.564 4.987 8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.615 4.861 7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.355 4.273 8.937 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.396 4.177 7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.355 1.956 9.064 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.401 1.859 7.315 1.00 0.00 H new ATOM 818 N SER A 55 15.739 2.253 10.467 1.00 0.00 N ATOM 819 CA SER A 55 16.481 2.244 11.760 1.00 0.00 C ATOM 820 C SER A 55 17.823 1.531 11.586 1.00 0.00 C ATOM 821 O SER A 55 18.721 1.678 12.392 1.00 0.00 O ATOM 822 CB SER A 55 15.652 1.515 12.817 1.00 0.00 C ATOM 823 OG SER A 55 14.357 2.097 12.882 1.00 0.00 O ATOM 0 H SER A 55 14.972 1.584 10.402 1.00 0.00 H new ATOM 0 HA SER A 55 16.659 3.271 12.077 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.575 0.456 12.569 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.142 1.580 13.789 1.00 0.00 H new ATOM 0 HG SER A 55 13.772 1.667 12.224 1.00 0.00 H new ATOM 829 N GLU A 56 17.977 0.763 10.541 1.00 0.00 N ATOM 830 CA GLU A 56 19.271 0.054 10.327 1.00 0.00 C ATOM 831 C GLU A 56 20.273 1.019 9.685 1.00 0.00 C ATOM 832 O GLU A 56 20.070 1.523 8.596 1.00 0.00 O ATOM 833 CB GLU A 56 19.051 -1.153 9.416 1.00 0.00 C ATOM 834 CG GLU A 56 18.440 -2.305 10.220 1.00 0.00 C ATOM 835 CD GLU A 56 18.079 -3.452 9.274 1.00 0.00 C ATOM 836 OE1 GLU A 56 17.532 -3.174 8.219 1.00 0.00 O ATOM 837 OE2 GLU A 56 18.355 -4.588 9.621 1.00 0.00 O ATOM 0 H GLU A 56 17.266 0.596 9.829 1.00 0.00 H new ATOM 0 HA GLU A 56 19.664 -0.292 11.283 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.391 -0.883 8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.998 -1.466 8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 56 19.146 -2.651 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.551 -1.962 10.749 1.00 0.00 H new ATOM 844 N SER A 57 21.344 1.287 10.372 1.00 0.00 N ATOM 845 CA SER A 57 22.373 2.229 9.852 1.00 0.00 C ATOM 846 C SER A 57 22.773 1.890 8.413 1.00 0.00 C ATOM 847 O SER A 57 23.001 2.772 7.608 1.00 0.00 O ATOM 848 CB SER A 57 23.611 2.162 10.745 1.00 0.00 C ATOM 849 OG SER A 57 24.182 0.862 10.658 1.00 0.00 O ATOM 0 H SER A 57 21.555 0.888 11.287 1.00 0.00 H new ATOM 0 HA SER A 57 21.948 3.233 9.859 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.338 2.913 10.436 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.342 2.385 11.777 1.00 0.00 H new ATOM 0 HG SER A 57 24.978 0.815 11.228 1.00 0.00 H new ATOM 855 N TRP A 58 22.886 0.634 8.075 1.00 0.00 N ATOM 856 CA TRP A 58 23.302 0.295 6.685 1.00 0.00 C ATOM 857 C TRP A 58 22.263 0.809 5.693 1.00 0.00 C ATOM 858 O TRP A 58 22.580 1.146 4.572 1.00 0.00 O ATOM 859 CB TRP A 58 23.520 -1.217 6.538 1.00 0.00 C ATOM 860 CG TRP A 58 22.224 -1.959 6.427 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.665 -2.686 7.420 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.340 -2.095 5.272 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.495 -3.257 6.956 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.244 -2.920 5.643 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.375 -1.585 3.953 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.220 -3.232 4.739 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.344 -1.896 3.039 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.269 -2.717 3.434 1.00 0.00 C ATOM 0 H TRP A 58 22.711 -0.160 8.690 1.00 0.00 H new ATOM 0 HA TRP A 58 24.252 0.784 6.468 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.127 -1.412 5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.079 -1.589 7.397 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.068 -2.802 8.415 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.890 -3.856 7.518 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.195 -0.954 3.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.399 -3.864 5.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.380 -1.503 2.034 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.482 -2.950 2.732 1.00 0.00 H new ATOM 879 N VAL A 59 21.031 0.903 6.097 1.00 0.00 N ATOM 880 CA VAL A 59 19.999 1.423 5.163 1.00 0.00 C ATOM 881 C VAL A 59 20.294 2.893 4.897 1.00 0.00 C ATOM 882 O VAL A 59 20.187 3.370 3.786 1.00 0.00 O ATOM 883 CB VAL A 59 18.619 1.269 5.799 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.555 1.895 4.894 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.336 -0.220 5.977 1.00 0.00 C ATOM 0 H VAL A 59 20.695 0.645 7.025 1.00 0.00 H new ATOM 0 HA VAL A 59 20.015 0.868 4.225 1.00 0.00 H new ATOM 0 HB VAL A 59 18.594 1.774 6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.573 1.781 5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.771 2.955 4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.562 1.395 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.354 -0.352 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.356 -0.713 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.096 -0.660 6.623 1.00 0.00 H new ATOM 895 N GLN A 60 20.693 3.608 5.908 1.00 0.00 N ATOM 896 CA GLN A 60 21.026 5.047 5.713 1.00 0.00 C ATOM 897 C GLN A 60 22.220 5.155 4.768 1.00 0.00 C ATOM 898 O GLN A 60 22.225 5.926 3.830 1.00 0.00 O ATOM 899 CB GLN A 60 21.408 5.665 7.058 1.00 0.00 C ATOM 900 CG GLN A 60 20.157 5.850 7.909 1.00 0.00 C ATOM 901 CD GLN A 60 19.461 4.503 8.106 1.00 0.00 C ATOM 902 OE1 GLN A 60 18.723 4.057 7.251 1.00 0.00 O ATOM 903 NE2 GLN A 60 19.665 3.832 9.206 1.00 0.00 N ATOM 0 H GLN A 60 20.804 3.261 6.861 1.00 0.00 H new ATOM 0 HA GLN A 60 20.165 5.570 5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.121 5.023 7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.899 6.625 6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.424 6.277 8.876 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.478 6.553 7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.285 4.206 9.924 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.205 2.933 9.348 1.00 0.00 H new ATOM 912 N GLU A 61 23.234 4.387 5.031 1.00 0.00 N ATOM 913 CA GLU A 61 24.458 4.428 4.176 1.00 0.00 C ATOM 914 C GLU A 61 24.103 4.096 2.723 1.00 0.00 C ATOM 915 O GLU A 61 24.484 4.800 1.810 1.00 0.00 O ATOM 916 CB GLU A 61 25.473 3.407 4.696 1.00 0.00 C ATOM 917 CG GLU A 61 26.843 3.686 4.075 1.00 0.00 C ATOM 918 CD GLU A 61 27.872 2.709 4.648 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.777 1.533 4.342 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.737 3.155 5.384 1.00 0.00 O ATOM 0 H GLU A 61 23.273 3.726 5.807 1.00 0.00 H new ATOM 0 HA GLU A 61 24.885 5.430 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.537 3.463 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 61 25.148 2.397 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.791 3.582 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.146 4.712 4.282 1.00 0.00 H new ATOM 927 N TYR A 62 23.380 3.036 2.497 1.00 0.00 N ATOM 928 CA TYR A 62 23.012 2.679 1.095 1.00 0.00 C ATOM 929 C TYR A 62 22.175 3.809 0.485 1.00 0.00 C ATOM 930 O TYR A 62 22.310 4.130 -0.679 1.00 0.00 O ATOM 931 CB TYR A 62 22.205 1.368 1.077 1.00 0.00 C ATOM 932 CG TYR A 62 23.137 0.169 1.128 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.093 0.047 2.157 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.039 -0.836 0.141 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.948 -1.074 2.198 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.894 -1.952 0.182 1.00 0.00 C ATOM 937 CZ TYR A 62 24.847 -2.071 1.210 1.00 0.00 C ATOM 938 OH TYR A 62 25.684 -3.168 1.250 1.00 0.00 O ATOM 0 H TYR A 62 23.029 2.403 3.216 1.00 0.00 H new ATOM 0 HA TYR A 62 23.922 2.541 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.523 1.342 1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.594 1.323 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.171 0.813 2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.306 -0.748 -0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.680 -1.167 2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.819 -2.718 -0.576 1.00 0.00 H new ATOM 0 HH TYR A 62 25.482 -3.761 0.496 1.00 0.00 H new ATOM 948 N VAL A 63 21.324 4.426 1.258 1.00 0.00 N ATOM 949 CA VAL A 63 20.503 5.535 0.709 1.00 0.00 C ATOM 950 C VAL A 63 21.435 6.690 0.370 1.00 0.00 C ATOM 951 O VAL A 63 21.303 7.337 -0.648 1.00 0.00 O ATOM 952 CB VAL A 63 19.477 5.980 1.756 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.820 7.294 1.319 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.400 4.900 1.902 1.00 0.00 C ATOM 0 H VAL A 63 21.164 4.209 2.242 1.00 0.00 H new ATOM 0 HA VAL A 63 19.970 5.210 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 63 19.982 6.131 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.092 7.604 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.583 8.065 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.317 7.149 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.668 5.214 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.902 4.751 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.863 3.965 2.219 1.00 0.00 H new ATOM 964 N TYR A 64 22.384 6.945 1.223 1.00 0.00 N ATOM 965 CA TYR A 64 23.336 8.052 0.966 1.00 0.00 C ATOM 966 C TYR A 64 24.119 7.752 -0.309 1.00 0.00 C ATOM 967 O TYR A 64 24.335 8.611 -1.140 1.00 0.00 O ATOM 968 CB TYR A 64 24.304 8.169 2.149 1.00 0.00 C ATOM 969 CG TYR A 64 24.963 9.530 2.141 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.239 10.664 2.555 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.301 9.663 1.720 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.852 11.932 2.547 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.913 10.931 1.713 1.00 0.00 C ATOM 974 CZ TYR A 64 26.189 12.065 2.127 1.00 0.00 C ATOM 975 OH TYR A 64 26.791 13.308 2.120 1.00 0.00 O ATOM 0 H TYR A 64 22.540 6.431 2.090 1.00 0.00 H new ATOM 0 HA TYR A 64 22.793 8.990 0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.767 8.021 3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.062 7.388 2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.214 10.562 2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.857 8.793 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.296 12.802 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.938 11.034 1.390 1.00 0.00 H new ATOM 0 HH TYR A 64 27.715 13.222 1.804 1.00 0.00 H new ATOM 985 N ASP A 65 24.545 6.534 -0.462 1.00 0.00 N ATOM 986 CA ASP A 65 25.319 6.155 -1.676 1.00 0.00 C ATOM 987 C ASP A 65 24.456 6.383 -2.920 1.00 0.00 C ATOM 988 O ASP A 65 24.944 6.745 -3.972 1.00 0.00 O ATOM 989 CB ASP A 65 25.706 4.675 -1.581 1.00 0.00 C ATOM 990 CG ASP A 65 26.918 4.515 -0.659 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.014 5.268 0.297 1.00 0.00 O ATOM 992 OD2 ASP A 65 27.728 3.644 -0.924 1.00 0.00 O ATOM 0 H ASP A 65 24.390 5.778 0.205 1.00 0.00 H new ATOM 0 HA ASP A 65 26.220 6.764 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.867 4.094 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.938 4.286 -2.572 1.00 0.00 H new ATOM 997 N LEU A 66 23.178 6.170 -2.804 1.00 0.00 N ATOM 998 CA LEU A 66 22.273 6.370 -3.969 1.00 0.00 C ATOM 999 C LEU A 66 22.119 7.868 -4.248 1.00 0.00 C ATOM 1000 O LEU A 66 21.927 8.284 -5.373 1.00 0.00 O ATOM 1001 CB LEU A 66 20.906 5.752 -3.642 1.00 0.00 C ATOM 1002 CG LEU A 66 20.944 4.225 -3.866 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.828 3.557 -3.059 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.733 3.897 -5.353 1.00 0.00 C ATOM 0 H LEU A 66 22.717 5.864 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 66 22.690 5.890 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.639 5.969 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.136 6.200 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 66 21.917 3.854 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.858 2.479 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.968 3.770 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.862 3.945 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.762 2.817 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.765 4.279 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.522 4.362 -5.944 1.00 0.00 H new ATOM 1016 N GLU A 67 22.204 8.679 -3.233 1.00 0.00 N ATOM 1017 CA GLU A 67 22.069 10.150 -3.439 1.00 0.00 C ATOM 1018 C GLU A 67 23.329 10.677 -4.122 1.00 0.00 C ATOM 1019 O GLU A 67 23.299 11.661 -4.836 1.00 0.00 O ATOM 1020 CB GLU A 67 21.903 10.843 -2.087 1.00 0.00 C ATOM 1021 CG GLU A 67 20.533 10.500 -1.506 1.00 0.00 C ATOM 1022 CD GLU A 67 20.266 11.369 -0.274 1.00 0.00 C ATOM 1023 OE1 GLU A 67 19.966 12.538 -0.452 1.00 0.00 O ATOM 1024 OE2 GLU A 67 20.366 10.849 0.825 1.00 0.00 O ATOM 0 H GLU A 67 22.361 8.389 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 67 21.197 10.353 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.690 10.524 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.001 11.922 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.758 10.664 -2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.496 9.445 -1.235 1.00 0.00 H new ATOM 1116 N SER B 5 10.873 -9.413 -4.099 1.00 0.00 N ATOM 1117 CA SER B 5 11.358 -9.961 -2.797 1.00 0.00 C ATOM 1118 C SER B 5 10.372 -9.596 -1.677 1.00 0.00 C ATOM 1119 O SER B 5 9.773 -10.458 -1.065 1.00 0.00 O ATOM 1120 CB SER B 5 12.753 -9.385 -2.496 1.00 0.00 C ATOM 1121 OG SER B 5 12.751 -8.746 -1.226 1.00 0.00 O ATOM 0 HA SER B 5 11.425 -11.047 -2.856 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.496 -10.183 -2.510 1.00 0.00 H new ATOM 0 HB3 SER B 5 13.036 -8.672 -3.271 1.00 0.00 H new ATOM 0 HG SER B 5 12.736 -9.424 -0.519 1.00 0.00 H new ATOM 1127 N ASP B 6 10.198 -8.329 -1.403 1.00 0.00 N ATOM 1128 CA ASP B 6 9.248 -7.920 -0.320 1.00 0.00 C ATOM 1129 C ASP B 6 8.737 -6.493 -0.579 1.00 0.00 C ATOM 1130 O ASP B 6 8.929 -5.622 0.246 1.00 0.00 O ATOM 1131 CB ASP B 6 9.967 -7.954 1.036 1.00 0.00 C ATOM 1132 CG ASP B 6 10.805 -9.229 1.141 1.00 0.00 C ATOM 1133 OD1 ASP B 6 10.219 -10.292 1.256 1.00 0.00 O ATOM 1134 OD2 ASP B 6 12.020 -9.121 1.103 1.00 0.00 O ATOM 0 H ASP B 6 10.670 -7.560 -1.879 1.00 0.00 H new ATOM 0 HA ASP B 6 8.406 -8.612 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.606 -7.077 1.142 1.00 0.00 H new ATOM 0 HB3 ASP B 6 9.239 -7.918 1.846 1.00 0.00 H new ATOM 1139 N PRO B 7 8.093 -6.284 -1.709 1.00 0.00 N ATOM 1140 CA PRO B 7 7.555 -4.952 -2.051 1.00 0.00 C ATOM 1141 C PRO B 7 6.585 -4.475 -0.945 1.00 0.00 C ATOM 1142 O PRO B 7 6.234 -5.246 -0.073 1.00 0.00 O ATOM 1143 CB PRO B 7 6.825 -5.156 -3.402 1.00 0.00 C ATOM 1144 CG PRO B 7 6.975 -6.655 -3.798 1.00 0.00 C ATOM 1145 CD PRO B 7 7.855 -7.334 -2.726 1.00 0.00 C ATOM 0 HA PRO B 7 8.328 -4.188 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.772 -4.887 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.254 -4.512 -4.170 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.999 -7.136 -3.853 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.432 -6.747 -4.783 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.353 -8.198 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.792 -7.691 -3.152 1.00 0.00 H new ATOM 1153 N PRO B 8 6.178 -3.220 -1.006 1.00 0.00 N ATOM 1154 CA PRO B 8 5.250 -2.651 -0.002 1.00 0.00 C ATOM 1155 C PRO B 8 3.889 -3.365 -0.069 1.00 0.00 C ATOM 1156 O PRO B 8 3.779 -4.469 -0.564 1.00 0.00 O ATOM 1157 CB PRO B 8 5.117 -1.157 -0.387 1.00 0.00 C ATOM 1158 CG PRO B 8 5.857 -0.958 -1.741 1.00 0.00 C ATOM 1159 CD PRO B 8 6.602 -2.271 -2.061 1.00 0.00 C ATOM 0 HA PRO B 8 5.612 -2.774 1.019 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.068 -0.876 -0.478 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.551 -0.522 0.385 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.148 -0.717 -2.533 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.558 -0.126 -1.676 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.341 -2.641 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.682 -2.125 -2.049 1.00 0.00 H new ATOM 1167 N THR B 9 2.855 -2.736 0.431 1.00 0.00 N ATOM 1168 CA THR B 9 1.502 -3.367 0.403 1.00 0.00 C ATOM 1169 C THR B 9 0.428 -2.279 0.440 1.00 0.00 C ATOM 1170 O THR B 9 0.455 -1.390 1.267 1.00 0.00 O ATOM 1171 CB THR B 9 1.344 -4.279 1.621 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.525 -5.050 1.786 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.147 -5.211 1.417 1.00 0.00 C ATOM 0 H THR B 9 2.891 -1.810 0.858 1.00 0.00 H new ATOM 0 HA THR B 9 1.393 -3.952 -0.510 1.00 0.00 H new ATOM 0 HB THR B 9 1.177 -3.671 2.510 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.560 -5.404 2.699 1.00 0.00 H new ATOM 0 HG21 THR B 9 0.038 -5.859 2.287 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.759 -4.618 1.291 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.308 -5.821 0.528 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.518 -2.349 -0.452 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.601 -1.327 -0.481 1.00 0.00 C ATOM 1183 C ALA B 10 -2.510 -1.497 0.738 1.00 0.00 C ATOM 1184 O ALA B 10 -3.560 -2.104 0.656 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.424 -1.509 -1.754 1.00 0.00 C ATOM 0 H ALA B 10 -0.589 -3.074 -1.166 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.160 -0.331 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.219 -0.764 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.780 -1.386 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.861 -2.507 -1.765 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.121 -0.952 1.863 1.00 0.00 N ATOM 1192 CA CYS B 11 -2.961 -1.060 3.098 1.00 0.00 C ATOM 1193 C CYS B 11 -3.560 0.315 3.401 1.00 0.00 C ATOM 1194 O CYS B 11 -2.911 1.331 3.249 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.086 -1.509 4.273 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.255 -3.061 3.847 1.00 0.00 S ATOM 0 H CYS B 11 -1.251 -0.433 1.981 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.757 -1.789 2.947 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.348 -0.741 4.506 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.698 -1.644 5.165 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.797 0.362 3.814 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.430 1.678 4.112 1.00 0.00 C ATOM 1203 C CYS B 12 -4.902 2.216 5.442 1.00 0.00 C ATOM 1204 O CYS B 12 -4.602 1.467 6.351 1.00 0.00 O ATOM 1205 CB CYS B 12 -6.949 1.511 4.197 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.605 1.107 2.559 1.00 0.00 S ATOM 0 H CYS B 12 -5.395 -0.451 3.958 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.186 2.381 3.315 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.200 0.722 4.906 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.406 2.429 4.567 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.792 3.514 5.562 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.290 4.126 6.832 1.00 0.00 C ATOM 1213 C PHE B 13 -5.470 4.726 7.594 1.00 0.00 C ATOM 1214 O PHE B 13 -5.411 4.941 8.789 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.296 5.238 6.499 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.997 6.310 5.701 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.241 6.116 4.329 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.411 7.499 6.329 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.898 7.113 3.584 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -5.068 8.497 5.585 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.312 8.304 4.212 1.00 0.00 C ATOM 0 H PHE B 13 -5.030 4.183 4.829 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.800 3.365 7.439 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.885 5.661 7.416 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.458 4.834 5.931 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.924 5.202 3.848 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.225 7.646 7.383 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.085 6.965 2.531 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.385 9.410 6.067 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.816 9.069 3.640 1.00 0.00 H new ATOM 1231 N SER B 14 -6.545 4.996 6.906 1.00 0.00 N ATOM 1232 CA SER B 14 -7.740 5.582 7.573 1.00 0.00 C ATOM 1233 C SER B 14 -8.982 5.260 6.741 1.00 0.00 C ATOM 1234 O SER B 14 -9.045 4.245 6.077 1.00 0.00 O ATOM 1235 CB SER B 14 -7.576 7.098 7.679 1.00 0.00 C ATOM 1236 OG SER B 14 -7.604 7.666 6.375 1.00 0.00 O ATOM 0 H SER B 14 -6.647 4.834 5.904 1.00 0.00 H new ATOM 0 HA SER B 14 -7.846 5.162 8.573 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.375 7.520 8.289 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.635 7.340 8.173 1.00 0.00 H new ATOM 0 HG SER B 14 -6.732 7.541 5.945 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.971 6.110 6.771 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.209 5.843 5.980 1.00 0.00 C ATOM 1244 C TYR B 15 -11.904 7.166 5.659 1.00 0.00 C ATOM 1245 O TYR B 15 -11.628 8.185 6.261 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.158 4.957 6.797 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.369 3.899 7.529 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.013 2.705 6.876 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.990 4.109 8.870 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.277 1.720 7.562 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.254 3.124 9.555 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.897 1.930 8.901 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.176 0.964 9.573 1.00 0.00 O ATOM 0 H TYR B 15 -9.977 6.977 7.308 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.943 5.335 5.053 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.715 5.566 7.509 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.889 4.488 6.138 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.304 2.544 5.849 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.264 5.025 9.372 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.004 0.803 7.061 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.963 3.284 10.583 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.995 1.268 10.487 1.00 0.00 H new ATOM 1263 N THR B 16 -12.811 7.157 4.720 1.00 0.00 N ATOM 1264 CA THR B 16 -13.526 8.418 4.378 1.00 0.00 C ATOM 1265 C THR B 16 -14.278 8.909 5.620 1.00 0.00 C ATOM 1266 O THR B 16 -13.905 8.605 6.735 1.00 0.00 O ATOM 1267 CB THR B 16 -14.493 8.167 3.213 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.219 9.354 2.930 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.465 7.041 3.564 1.00 0.00 C ATOM 0 H THR B 16 -13.086 6.337 4.179 1.00 0.00 H new ATOM 0 HA THR B 16 -12.815 9.183 4.066 1.00 0.00 H new ATOM 0 HB THR B 16 -13.918 7.875 2.335 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.834 9.191 2.185 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.145 6.874 2.729 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.906 6.127 3.765 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.038 7.318 4.449 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.328 9.667 5.447 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.089 10.175 6.630 1.00 0.00 C ATOM 1279 C ALA B 17 -17.576 10.236 6.289 1.00 0.00 C ATOM 1280 O ALA B 17 -18.376 10.750 7.045 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.591 11.577 6.983 1.00 0.00 C ATOM 0 H ALA B 17 -15.693 9.957 4.540 1.00 0.00 H new ATOM 0 HA ALA B 17 -15.938 9.507 7.478 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.142 11.953 7.845 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.528 11.536 7.222 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.747 12.243 6.134 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.955 9.713 5.153 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.393 9.737 4.753 1.00 0.00 C ATOM 1289 C ARG B 18 -19.729 8.448 4.002 1.00 0.00 C ATOM 1290 O ARG B 18 -18.995 8.016 3.136 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.641 10.937 3.838 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.219 12.227 4.554 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.872 13.436 3.881 1.00 0.00 C ATOM 1294 NE ARG B 18 -19.825 13.283 2.388 1.00 0.00 N ATOM 1295 CZ ARG B 18 -18.698 13.098 1.754 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -17.558 13.216 2.380 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -18.709 12.846 0.473 1.00 0.00 N ATOM 0 H ARG B 18 -17.328 9.268 4.482 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.021 9.817 5.640 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -19.078 10.823 2.911 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.695 10.988 3.566 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -19.511 12.183 5.603 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -18.134 12.328 4.529 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -20.906 13.532 4.212 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -19.356 14.349 4.177 1.00 0.00 H new ATOM 0 HE ARG B 18 -20.694 13.325 1.856 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -17.543 13.454 3.372 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -16.683 13.070 1.877 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -19.595 12.794 -0.029 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -17.831 12.701 -0.026 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.834 7.834 4.319 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.209 6.579 3.611 1.00 0.00 C ATOM 1313 C LYS B 19 -21.433 6.900 2.130 1.00 0.00 C ATOM 1314 O LYS B 19 -22.137 7.828 1.783 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.490 6.001 4.239 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.176 5.035 3.262 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.203 4.182 4.011 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.331 5.062 4.552 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.804 5.991 3.486 1.00 0.00 N ATOM 0 H LYS B 19 -21.491 8.145 5.034 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.414 5.839 3.702 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.246 5.480 5.165 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.172 6.810 4.499 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.666 5.596 2.466 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.433 4.393 2.789 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -24.612 3.424 3.343 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -23.718 3.655 4.833 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -26.157 4.439 4.897 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -24.980 5.631 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -26.787 6.269 3.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -25.201 6.838 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.754 5.514 2.563 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.834 6.139 1.257 1.00 0.00 N ATOM 1334 CA LEU B 20 -21.004 6.396 -0.198 1.00 0.00 C ATOM 1335 C LEU B 20 -22.415 5.944 -0.640 1.00 0.00 C ATOM 1336 O LEU B 20 -22.755 4.797 -0.430 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.970 5.576 -0.969 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.591 5.726 -0.324 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.552 5.028 -1.200 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.235 7.212 -0.193 1.00 0.00 C ATOM 0 H LEU B 20 -20.233 5.349 1.490 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.875 7.460 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.262 4.526 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.932 5.907 -2.007 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.603 5.274 0.668 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.566 5.131 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.802 3.971 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.545 5.484 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.252 7.311 0.267 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.221 7.671 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.979 7.711 0.429 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.205 6.812 -1.254 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.547 6.406 -1.710 1.00 0.00 C ATOM 1354 C PRO B 21 -24.427 5.189 -2.631 1.00 0.00 C ATOM 1355 O PRO B 21 -23.492 5.074 -3.394 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.098 7.627 -2.482 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.100 8.799 -2.265 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.861 8.226 -1.542 1.00 0.00 C ATOM 0 HA PRO B 21 -25.204 6.125 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.197 7.398 -3.543 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.090 7.895 -2.120 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.816 9.242 -3.219 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.560 9.589 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.971 8.296 -2.168 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.650 8.776 -0.625 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.371 4.292 -2.581 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.302 3.108 -3.479 1.00 0.00 C ATOM 1368 C ARG B 22 -25.058 3.595 -4.910 1.00 0.00 C ATOM 1369 O ARG B 22 -24.403 2.947 -5.700 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.620 2.333 -3.410 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.402 0.920 -3.951 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.731 0.172 -3.971 1.00 0.00 C ATOM 1373 NE ARG B 22 -28.104 -0.217 -2.581 1.00 0.00 N ATOM 1374 CZ ARG B 22 -29.325 -0.594 -2.316 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -30.219 -0.631 -3.266 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -29.652 -0.935 -1.098 1.00 0.00 N ATOM 0 H ARG B 22 -26.181 4.327 -1.962 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.491 2.449 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.977 2.290 -2.381 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.387 2.844 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.983 0.965 -4.956 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.682 0.388 -3.329 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -28.508 0.801 -4.405 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -27.652 -0.715 -4.599 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.406 -0.189 -1.838 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -29.964 -0.365 -4.217 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -31.173 -0.926 -3.057 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -28.953 -0.906 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -30.606 -1.230 -0.890 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.585 4.746 -5.240 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.390 5.299 -6.610 1.00 0.00 C ATOM 1392 C ASN B 23 -23.954 5.801 -6.765 1.00 0.00 C ATOM 1393 O ASN B 23 -23.643 6.544 -7.675 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.363 6.459 -6.834 1.00 0.00 C ATOM 1395 CG ASN B 23 -27.775 6.020 -6.449 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -28.711 6.790 -6.541 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -27.970 4.804 -6.017 1.00 0.00 N ATOM 0 H ASN B 23 -26.144 5.328 -4.616 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.579 4.516 -7.345 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.063 7.320 -6.237 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.340 6.771 -7.878 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -28.908 4.500 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -27.184 4.158 -5.940 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.077 5.411 -5.876 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.655 5.875 -5.960 1.00 0.00 C ATOM 1406 C PHE B 24 -20.730 4.703 -5.614 1.00 0.00 C ATOM 1407 O PHE B 24 -19.631 4.886 -5.130 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.450 7.024 -4.955 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.259 7.873 -5.350 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.261 8.558 -6.582 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.154 7.991 -4.482 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.160 9.357 -6.944 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.053 8.789 -4.849 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.057 9.472 -6.079 1.00 0.00 C ATOM 0 H PHE B 24 -23.283 4.790 -5.093 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.426 6.228 -6.965 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.347 7.643 -4.914 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.298 6.617 -3.955 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.107 8.470 -7.248 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.152 7.470 -3.536 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.162 9.883 -7.888 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.205 8.877 -4.186 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.213 10.085 -6.359 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.172 3.498 -5.869 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.333 2.300 -5.568 1.00 0.00 C ATOM 1426 C VAL B 25 -20.671 1.195 -6.570 1.00 0.00 C ATOM 1427 O VAL B 25 -21.531 0.369 -6.332 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.633 1.801 -4.152 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.699 0.639 -3.811 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.410 2.934 -3.148 1.00 0.00 C ATOM 0 H VAL B 25 -22.084 3.292 -6.276 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.278 2.565 -5.641 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.669 1.467 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.913 0.284 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.854 -0.173 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.664 0.976 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.624 2.575 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.374 3.269 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.073 3.766 -3.386 1.00 0.00 H new ATOM 1440 N VAL B 26 -20.007 1.175 -7.694 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.294 0.131 -8.717 1.00 0.00 C ATOM 1442 C VAL B 26 -19.518 -1.143 -8.390 1.00 0.00 C ATOM 1443 O VAL B 26 -19.762 -2.190 -8.955 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.872 0.647 -10.092 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.741 1.847 -10.472 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.403 1.077 -10.052 1.00 0.00 C ATOM 0 H VAL B 26 -19.276 1.839 -7.948 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.361 -0.092 -8.718 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.997 -0.145 -10.830 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.442 2.217 -11.453 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.787 1.543 -10.503 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.614 2.637 -9.732 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -18.105 1.445 -11.034 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.276 1.869 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.781 0.224 -9.780 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.583 -1.068 -7.485 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.800 -2.284 -7.136 1.00 0.00 C ATOM 1458 C ASP B 27 -16.951 -2.002 -5.901 1.00 0.00 C ATOM 1459 O ASP B 27 -17.085 -0.976 -5.264 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.891 -2.657 -8.310 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.328 -4.062 -8.093 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -17.104 -4.945 -7.765 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -15.132 -4.233 -8.261 1.00 0.00 O ATOM 0 H ASP B 27 -18.329 -0.222 -6.975 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.480 -3.110 -6.927 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.451 -2.619 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -16.077 -1.937 -8.397 1.00 0.00 H new ATOM 1468 N TYR B 28 -16.072 -2.902 -5.552 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.216 -2.676 -4.356 1.00 0.00 C ATOM 1470 C TYR B 28 -13.929 -3.485 -4.471 1.00 0.00 C ATOM 1471 O TYR B 28 -13.670 -4.139 -5.462 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.972 -3.074 -3.082 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.089 -4.583 -2.976 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.827 -5.306 -3.932 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.468 -5.263 -1.908 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.943 -6.705 -3.823 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.583 -6.659 -1.796 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.321 -7.382 -2.754 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.436 -8.753 -2.645 1.00 0.00 O ATOM 0 H TYR B 28 -15.911 -3.781 -6.043 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.964 -1.617 -4.301 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.452 -2.682 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.966 -2.627 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.305 -4.787 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.902 -4.709 -1.174 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.508 -7.259 -4.558 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.106 -7.177 -0.977 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.947 -9.060 -1.853 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.116 -3.423 -3.462 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.827 -4.158 -3.482 1.00 0.00 C ATOM 1491 C TYR B 29 -11.327 -4.288 -2.037 1.00 0.00 C ATOM 1492 O TYR B 29 -11.355 -3.342 -1.283 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.835 -3.356 -4.342 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.411 -3.754 -4.033 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.927 -5.007 -4.446 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.570 -2.868 -3.332 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.600 -5.379 -4.159 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.243 -3.238 -3.044 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.757 -4.495 -3.457 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.456 -4.859 -3.176 1.00 0.00 O ATOM 0 H TYR B 29 -13.291 -2.887 -2.612 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.936 -5.156 -3.906 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -11.043 -3.526 -5.398 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.967 -2.290 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.573 -5.685 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.943 -1.905 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.228 -6.342 -4.477 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.597 -2.559 -2.507 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.012 -4.135 -2.688 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.877 -5.447 -1.638 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.386 -5.611 -0.234 1.00 0.00 C ATOM 1512 C GLU B 30 -8.875 -5.358 -0.186 1.00 0.00 C ATOM 1513 O GLU B 30 -8.179 -5.496 -1.174 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.684 -7.032 0.249 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.170 -7.155 0.599 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.459 -8.569 1.108 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.868 -8.951 2.104 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.266 -9.245 0.491 1.00 0.00 O ATOM 0 H GLU B 30 -10.827 -6.285 -2.218 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.893 -4.895 0.413 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.422 -7.753 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.074 -7.266 1.122 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.437 -6.421 1.360 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.780 -6.941 -0.279 1.00 0.00 H new ATOM 1525 N THR B 31 -8.368 -4.980 0.956 1.00 0.00 N ATOM 1526 CA THR B 31 -6.904 -4.702 1.081 1.00 0.00 C ATOM 1527 C THR B 31 -6.112 -6.012 1.057 1.00 0.00 C ATOM 1528 O THR B 31 -6.625 -7.059 0.717 1.00 0.00 O ATOM 1529 CB THR B 31 -6.643 -3.987 2.407 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.356 -4.653 3.432 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.110 -2.533 2.306 1.00 0.00 C ATOM 0 H THR B 31 -8.906 -4.851 1.813 1.00 0.00 H new ATOM 0 HA THR B 31 -6.587 -4.078 0.245 1.00 0.00 H new ATOM 0 HB THR B 31 -5.577 -4.000 2.634 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.453 -5.600 3.201 1.00 0.00 H new ATOM 0 HG21 THR B 31 -6.923 -2.024 3.252 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.563 -2.030 1.509 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.177 -2.508 2.085 1.00 0.00 H new ATOM 1539 N SER B 32 -4.860 -5.950 1.424 1.00 0.00 N ATOM 1540 CA SER B 32 -4.012 -7.173 1.437 1.00 0.00 C ATOM 1541 C SER B 32 -4.204 -7.916 2.757 1.00 0.00 C ATOM 1542 O SER B 32 -5.288 -7.971 3.304 1.00 0.00 O ATOM 1543 CB SER B 32 -2.545 -6.771 1.294 1.00 0.00 C ATOM 1544 OG SER B 32 -1.761 -7.930 1.044 1.00 0.00 O ATOM 0 H SER B 32 -4.386 -5.096 1.718 1.00 0.00 H new ATOM 0 HA SER B 32 -4.299 -7.822 0.610 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.430 -6.057 0.478 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.202 -6.275 2.202 1.00 0.00 H new ATOM 0 HG SER B 32 -0.820 -7.674 0.950 1.00 0.00 H new ATOM 1550 N SER B 33 -3.152 -8.489 3.272 1.00 0.00 N ATOM 1551 CA SER B 33 -3.246 -9.240 4.561 1.00 0.00 C ATOM 1552 C SER B 33 -1.978 -8.995 5.374 1.00 0.00 C ATOM 1553 O SER B 33 -2.009 -8.900 6.584 1.00 0.00 O ATOM 1554 CB SER B 33 -3.358 -10.731 4.260 1.00 0.00 C ATOM 1555 OG SER B 33 -2.062 -11.254 3.998 1.00 0.00 O ATOM 0 H SER B 33 -2.222 -8.470 2.853 1.00 0.00 H new ATOM 0 HA SER B 33 -4.119 -8.905 5.122 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.809 -11.252 5.105 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.009 -10.893 3.401 1.00 0.00 H new ATOM 0 HG SER B 33 -2.129 -12.213 3.806 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.863 -8.899 4.701 1.00 0.00 N ATOM 1562 CA LEU B 34 0.438 -8.666 5.397 1.00 0.00 C ATOM 1563 C LEU B 34 0.262 -7.658 6.534 1.00 0.00 C ATOM 1564 O LEU B 34 0.577 -7.930 7.675 1.00 0.00 O ATOM 1565 CB LEU B 34 1.456 -8.111 4.399 1.00 0.00 C ATOM 1566 CG LEU B 34 1.380 -8.883 3.082 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.526 -8.437 2.171 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.497 -10.385 3.356 1.00 0.00 C ATOM 0 H LEU B 34 -0.796 -8.973 3.686 1.00 0.00 H new ATOM 0 HA LEU B 34 0.789 -9.613 5.807 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.262 -7.053 4.221 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.461 -8.185 4.815 1.00 0.00 H new ATOM 0 HG LEU B 34 0.425 -8.682 2.596 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.477 -8.985 1.230 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.440 -7.368 1.974 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.479 -8.640 2.659 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.442 -10.932 2.415 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.450 -10.593 3.842 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.682 -10.701 4.007 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.236 -6.497 6.225 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.427 -5.470 7.285 1.00 0.00 C ATOM 1582 C CYS B 35 -1.549 -5.918 8.227 1.00 0.00 C ATOM 1583 O CYS B 35 -2.622 -6.285 7.803 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.776 -4.122 6.641 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.896 -4.378 5.242 1.00 0.00 S ATOM 0 H CYS B 35 -0.519 -6.214 5.287 1.00 0.00 H new ATOM 0 HA CYS B 35 0.493 -5.355 7.857 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.243 -3.468 7.377 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.133 -3.624 6.304 1.00 0.00 H new ATOM 1590 N SER B 36 -1.291 -5.914 9.505 1.00 0.00 N ATOM 1591 CA SER B 36 -2.324 -6.351 10.489 1.00 0.00 C ATOM 1592 C SER B 36 -3.515 -5.379 10.512 1.00 0.00 C ATOM 1593 O SER B 36 -4.136 -5.195 11.540 1.00 0.00 O ATOM 1594 CB SER B 36 -1.696 -6.409 11.882 1.00 0.00 C ATOM 1595 OG SER B 36 -1.042 -5.177 12.153 1.00 0.00 O ATOM 0 H SER B 36 -0.403 -5.625 9.914 1.00 0.00 H new ATOM 0 HA SER B 36 -2.688 -7.335 10.193 1.00 0.00 H new ATOM 0 HB2 SER B 36 -2.464 -6.599 12.632 1.00 0.00 H new ATOM 0 HB3 SER B 36 -0.984 -7.232 11.939 1.00 0.00 H new ATOM 0 HG SER B 36 -0.640 -5.210 13.046 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.851 -4.750 9.413 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.009 -3.802 9.441 1.00 0.00 C ATOM 1603 C GLN B 37 -5.647 -3.673 8.050 1.00 0.00 C ATOM 1604 O GLN B 37 -5.612 -2.610 7.464 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.518 -2.425 9.900 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.230 -2.064 9.157 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.775 -0.664 9.571 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -2.957 -0.265 10.705 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.188 0.104 8.695 1.00 0.00 N ATOM 0 H GLN B 37 -3.383 -4.848 8.512 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.759 -4.188 10.131 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.283 -1.673 9.708 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.340 -2.431 10.975 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.451 -2.792 9.383 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.397 -2.100 8.080 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -2.036 -0.231 7.744 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -1.881 1.040 8.961 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.237 -4.744 7.563 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.907 -4.724 6.248 1.00 0.00 C ATOM 1620 C PRO B 38 -8.168 -3.853 6.343 1.00 0.00 C ATOM 1621 O PRO B 38 -8.520 -3.360 7.396 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.269 -6.202 5.969 1.00 0.00 C ATOM 1623 CG PRO B 38 -6.974 -7.006 7.269 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.280 -6.048 8.262 1.00 0.00 C ATOM 0 HA PRO B 38 -6.288 -4.310 5.452 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.319 -6.294 5.690 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.683 -6.590 5.136 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.898 -7.397 7.696 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.335 -7.863 7.053 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.836 -5.977 9.197 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.278 -6.396 8.512 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.845 -3.671 5.249 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.078 -2.851 5.250 1.00 0.00 C ATOM 1634 C ALA B 39 -10.793 -3.069 3.921 1.00 0.00 C ATOM 1635 O ALA B 39 -10.226 -3.619 2.995 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.713 -1.374 5.401 1.00 0.00 C ATOM 0 H ALA B 39 -8.591 -4.062 4.342 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.724 -3.140 6.079 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.622 -0.773 5.401 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.179 -1.225 6.340 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.077 -1.070 4.570 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.017 -2.636 3.800 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.744 -2.814 2.507 1.00 0.00 C ATOM 1644 C VAL B 40 -12.623 -1.518 1.715 1.00 0.00 C ATOM 1645 O VAL B 40 -12.781 -0.436 2.246 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.221 -3.129 2.773 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.036 -2.931 1.491 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.346 -4.584 3.221 1.00 0.00 C ATOM 0 H VAL B 40 -12.546 -2.168 4.536 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.314 -3.642 1.944 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.598 -2.461 3.548 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.084 -3.157 1.688 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.944 -1.897 1.157 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.661 -3.598 0.715 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.393 -4.817 3.413 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -13.966 -5.240 2.438 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.768 -4.735 4.133 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.331 -1.629 0.450 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.178 -0.416 -0.412 1.00 0.00 C ATOM 1660 C VAL B 41 -13.334 -0.349 -1.414 1.00 0.00 C ATOM 1661 O VAL B 41 -13.514 -1.232 -2.223 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.841 -0.499 -1.155 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.440 0.886 -1.659 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.763 -1.014 -0.197 1.00 0.00 C ATOM 0 H VAL B 41 -12.190 -2.517 -0.032 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.195 0.483 0.204 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.943 -1.177 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.488 0.820 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.206 1.262 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.339 1.566 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.809 -1.075 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.670 -0.331 0.647 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.041 -2.003 0.166 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.128 0.687 -1.364 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.279 0.793 -2.314 1.00 0.00 C ATOM 1676 C PHE B 42 -14.841 1.513 -3.592 1.00 0.00 C ATOM 1677 O PHE B 42 -14.181 2.532 -3.551 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.415 1.590 -1.658 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.163 0.721 -0.671 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.866 -0.416 -1.120 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.169 1.053 0.699 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.570 -1.218 -0.202 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.874 0.251 1.616 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.573 -0.885 1.165 1.00 0.00 C ATOM 0 H PHE B 42 -14.032 1.463 -0.709 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.624 -0.211 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.009 2.464 -1.149 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.100 1.957 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.864 -0.672 -2.169 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.632 1.924 1.045 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.108 -2.089 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.879 0.507 2.665 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.112 -1.501 1.869 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.236 1.000 -4.728 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.884 1.653 -6.024 1.00 0.00 C ATOM 1696 C GLN B 43 -16.073 2.523 -6.440 1.00 0.00 C ATOM 1697 O GLN B 43 -17.182 2.036 -6.568 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.623 0.571 -7.073 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.372 -0.222 -6.688 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.296 -1.497 -7.529 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.766 -1.528 -8.649 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.720 -2.558 -7.034 1.00 0.00 N ATOM 0 H GLN B 43 -15.792 0.149 -4.814 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.988 2.267 -5.929 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.482 -0.096 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.490 1.026 -8.055 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.481 0.385 -6.847 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.401 -0.474 -5.628 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -12.325 -2.532 -6.094 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.664 -3.413 -7.587 1.00 0.00 H new ATOM 1711 N THR B 44 -15.871 3.813 -6.611 1.00 0.00 N ATOM 1712 CA THR B 44 -17.027 4.708 -6.963 1.00 0.00 C ATOM 1713 C THR B 44 -17.090 4.988 -8.465 1.00 0.00 C ATOM 1714 O THR B 44 -16.536 4.271 -9.275 1.00 0.00 O ATOM 1715 CB THR B 44 -16.878 6.037 -6.225 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.963 6.864 -6.927 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.357 5.776 -4.811 1.00 0.00 C ATOM 0 H THR B 44 -14.968 4.280 -6.524 1.00 0.00 H new ATOM 0 HA THR B 44 -17.945 4.199 -6.668 1.00 0.00 H new ATOM 0 HB THR B 44 -17.845 6.536 -6.167 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.272 7.794 -6.896 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.250 6.723 -4.282 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.061 5.139 -4.276 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.388 5.280 -4.866 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.792 6.036 -8.830 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.946 6.407 -10.271 1.00 0.00 C ATOM 1727 C LYS B 45 -17.182 7.704 -10.564 1.00 0.00 C ATOM 1728 O LYS B 45 -16.746 7.931 -11.676 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.433 6.637 -10.576 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.278 5.519 -9.960 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.758 5.786 -10.251 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.600 4.583 -9.819 1.00 0.00 C ATOM 1733 NZ LYS B 45 -24.025 5.000 -9.682 1.00 0.00 N ATOM 0 H LYS B 45 -18.271 6.658 -8.179 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.550 5.601 -10.889 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.748 7.602 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.590 6.669 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.982 4.554 -10.373 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.110 5.471 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.086 6.680 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.900 5.977 -11.315 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.513 3.782 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -22.232 4.189 -8.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.538 4.299 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -24.072 5.928 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -24.460 5.064 -10.624 1.00 0.00 H new ATOM 1747 N ARG B 46 -17.026 8.560 -9.578 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.300 9.858 -9.795 1.00 0.00 C ATOM 1749 C ARG B 46 -15.090 9.899 -8.861 1.00 0.00 C ATOM 1750 O ARG B 46 -14.831 10.872 -8.191 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.256 11.031 -9.489 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.796 12.333 -10.193 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.689 13.049 -9.399 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.752 14.520 -9.676 1.00 0.00 N ATOM 1755 CZ ARG B 46 -15.773 14.983 -10.899 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -15.529 14.195 -11.910 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -15.974 16.255 -11.105 1.00 0.00 N ATOM 0 H ARG B 46 -17.371 8.416 -8.629 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.963 9.941 -10.828 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.264 10.776 -9.815 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.301 11.194 -8.412 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.432 12.097 -11.193 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.648 13.002 -10.314 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.813 12.863 -8.332 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.712 12.656 -9.680 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.779 15.174 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -15.320 13.210 -11.750 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -15.547 14.564 -12.861 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -16.114 16.884 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -15.991 16.621 -12.057 1.00 0.00 H new ATOM 1771 N SER B 47 -14.343 8.838 -8.819 1.00 0.00 N ATOM 1772 CA SER B 47 -13.147 8.802 -7.950 1.00 0.00 C ATOM 1773 C SER B 47 -12.307 7.600 -8.365 1.00 0.00 C ATOM 1774 O SER B 47 -11.873 7.494 -9.495 1.00 0.00 O ATOM 1775 CB SER B 47 -13.564 8.692 -6.476 1.00 0.00 C ATOM 1776 OG SER B 47 -14.626 9.601 -6.220 1.00 0.00 O ATOM 0 H SER B 47 -14.513 7.987 -9.355 1.00 0.00 H new ATOM 0 HA SER B 47 -12.567 9.718 -8.059 1.00 0.00 H new ATOM 0 HB2 SER B 47 -13.879 7.673 -6.250 1.00 0.00 H new ATOM 0 HB3 SER B 47 -12.716 8.914 -5.828 1.00 0.00 H new ATOM 0 HG SER B 47 -14.410 10.475 -6.608 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.090 6.692 -7.477 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.300 5.490 -7.819 1.00 0.00 C ATOM 1784 C LYS B 48 -11.601 4.422 -6.774 1.00 0.00 C ATOM 1785 O LYS B 48 -12.397 3.529 -6.992 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.807 5.840 -7.830 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.041 4.773 -8.608 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.541 4.923 -8.346 1.00 0.00 C ATOM 1789 CE LYS B 48 -6.761 4.054 -9.334 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.021 4.524 -10.724 1.00 0.00 N ATOM 0 H LYS B 48 -12.429 6.728 -6.516 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.563 5.119 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.655 6.818 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.429 5.903 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.375 3.780 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.245 4.869 -9.674 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.245 5.967 -8.451 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.308 4.627 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -5.694 4.105 -9.115 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.059 3.011 -9.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -6.208 4.287 -11.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -7.875 4.059 -11.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -7.162 5.554 -10.721 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.989 4.530 -5.625 1.00 0.00 N ATOM 1805 CA GLN B 49 -11.235 3.549 -4.530 1.00 0.00 C ATOM 1806 C GLN B 49 -11.266 4.317 -3.202 1.00 0.00 C ATOM 1807 O GLN B 49 -10.563 5.296 -3.025 1.00 0.00 O ATOM 1808 CB GLN B 49 -10.116 2.477 -4.521 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.387 2.462 -5.869 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.340 1.347 -5.870 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -7.263 1.509 -6.410 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.612 0.212 -5.287 1.00 0.00 N ATOM 0 H GLN B 49 -10.321 5.266 -5.397 1.00 0.00 H new ATOM 0 HA GLN B 49 -12.186 3.037 -4.680 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.408 2.686 -3.719 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.544 1.495 -4.320 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.100 2.306 -6.679 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.908 3.425 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -9.515 0.075 -4.834 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.921 -0.538 -5.285 1.00 0.00 H new ATOM 1821 N VAL B 50 -12.086 3.892 -2.277 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.184 4.597 -0.959 1.00 0.00 C ATOM 1823 C VAL B 50 -12.142 3.565 0.161 1.00 0.00 C ATOM 1824 O VAL B 50 -12.900 2.620 0.169 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.511 5.362 -0.902 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.563 6.231 0.358 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.636 6.251 -2.147 1.00 0.00 C ATOM 0 H VAL B 50 -12.697 3.081 -2.376 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.354 5.294 -0.843 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.336 4.650 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.510 6.770 0.389 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.477 5.597 1.241 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.739 6.945 0.342 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.579 6.797 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.807 6.959 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.611 5.629 -3.042 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.266 3.742 1.111 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.172 2.767 2.227 1.00 0.00 C ATOM 1839 C CYS B 51 -12.383 2.924 3.143 1.00 0.00 C ATOM 1840 O CYS B 51 -12.932 3.999 3.285 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.891 3.035 3.017 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.459 2.827 1.932 1.00 0.00 S ATOM 0 H CYS B 51 -10.611 4.522 1.160 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.152 1.752 1.830 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.908 4.045 3.425 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.823 2.351 3.863 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.812 1.852 3.757 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.002 1.920 4.658 1.00 0.00 C ATOM 1849 C ALA B 52 -13.775 1.016 5.873 1.00 0.00 C ATOM 1850 O ALA B 52 -13.334 -0.111 5.748 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.236 1.432 3.898 1.00 0.00 C ATOM 0 H ALA B 52 -12.388 0.928 3.673 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.150 2.948 4.988 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.108 1.479 4.551 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.401 2.065 3.026 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.081 0.403 3.574 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.076 1.504 7.045 1.00 0.00 N ATOM 1858 CA ASP B 53 -13.883 0.679 8.272 1.00 0.00 C ATOM 1859 C ASP B 53 -14.902 -0.489 8.268 1.00 0.00 C ATOM 1860 O ASP B 53 -16.089 -0.230 8.306 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.140 1.554 9.501 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.640 0.834 10.755 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.703 -0.384 10.778 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.202 1.513 11.669 1.00 0.00 O ATOM 0 H ASP B 53 -14.448 2.440 7.207 1.00 0.00 H new ATOM 0 HA ASP B 53 -12.867 0.284 8.296 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -13.631 2.512 9.391 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -15.205 1.768 9.592 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.453 -1.739 8.225 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.397 -2.878 8.221 1.00 0.00 C ATOM 1871 C PRO B 54 -16.220 -2.885 9.519 1.00 0.00 C ATOM 1872 O PRO B 54 -17.148 -3.654 9.672 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.510 -4.140 8.124 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.027 -3.672 8.113 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.022 -2.128 8.176 1.00 0.00 C ATOM 0 HA PRO B 54 -16.108 -2.824 7.397 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.696 -4.804 8.968 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.741 -4.702 7.219 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.487 -4.091 8.962 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.523 -4.020 7.211 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.486 -1.771 9.055 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.526 -1.699 7.305 1.00 0.00 H new ATOM 1883 N SER B 55 -15.874 -2.049 10.454 1.00 0.00 N ATOM 1884 CA SER B 55 -16.620 -2.021 11.744 1.00 0.00 C ATOM 1885 C SER B 55 -17.962 -1.311 11.556 1.00 0.00 C ATOM 1886 O SER B 55 -18.862 -1.447 12.362 1.00 0.00 O ATOM 1887 CB SER B 55 -15.793 -1.277 12.793 1.00 0.00 C ATOM 1888 OG SER B 55 -14.499 -1.859 12.870 1.00 0.00 O ATOM 0 H SER B 55 -15.106 -1.382 10.383 1.00 0.00 H new ATOM 0 HA SER B 55 -16.800 -3.044 12.076 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.715 -0.222 12.530 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.286 -1.328 13.764 1.00 0.00 H new ATOM 0 HG SER B 55 -13.925 -1.473 12.176 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.113 -0.559 10.501 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.405 0.148 10.272 1.00 0.00 C ATOM 1896 C GLU B 56 -20.406 -0.826 9.642 1.00 0.00 C ATOM 1897 O GLU B 56 -20.200 -1.345 8.561 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.183 1.342 9.345 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.575 2.505 10.135 1.00 0.00 C ATOM 1900 CD GLU B 56 -18.211 3.639 9.174 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -17.661 3.346 8.125 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -18.487 4.780 9.503 1.00 0.00 O ATOM 0 H GLU B 56 -17.400 -0.403 9.789 1.00 0.00 H new ATOM 0 HA GLU B 56 -19.799 0.509 11.222 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.521 1.061 8.526 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.129 1.649 8.899 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -19.284 2.861 10.883 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -17.687 2.170 10.672 1.00 0.00 H new ATOM 1909 N SER B 57 -21.479 -1.084 10.330 1.00 0.00 N ATOM 1910 CA SER B 57 -22.506 -2.035 9.820 1.00 0.00 C ATOM 1911 C SER B 57 -22.902 -1.715 8.375 1.00 0.00 C ATOM 1912 O SER B 57 -23.129 -2.608 7.583 1.00 0.00 O ATOM 1913 CB SER B 57 -23.748 -1.953 10.708 1.00 0.00 C ATOM 1914 OG SER B 57 -24.317 -0.655 10.602 1.00 0.00 O ATOM 0 H SER B 57 -21.693 -0.671 11.238 1.00 0.00 H new ATOM 0 HA SER B 57 -22.081 -3.039 9.842 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.475 -2.707 10.406 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.483 -2.163 11.744 1.00 0.00 H new ATOM 0 HG SER B 57 -25.114 -0.600 11.169 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.014 -0.464 8.020 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.426 -0.144 6.625 1.00 0.00 C ATOM 1922 C TRP B 58 -22.385 -0.673 5.642 1.00 0.00 C ATOM 1923 O TRP B 58 -22.698 -1.025 4.524 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.645 1.366 6.455 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.348 2.105 6.336 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.792 2.847 7.321 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.462 2.225 5.182 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.619 3.410 6.852 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.366 3.055 5.545 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.491 1.697 3.871 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.339 3.354 4.639 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.459 1.995 2.954 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.384 2.822 3.341 1.00 0.00 C ATOM 0 H TRP B 58 -22.841 0.339 8.625 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.376 -0.635 6.413 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.250 1.548 5.567 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.206 1.750 7.307 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.198 2.978 8.313 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.014 4.015 7.407 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.309 1.060 3.568 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.519 3.990 4.938 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.493 1.589 1.954 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.595 3.046 2.638 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.154 -0.761 6.049 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.119 -1.294 5.127 1.00 0.00 C ATOM 1946 C VAL B 59 -20.415 -2.767 4.880 1.00 0.00 C ATOM 1947 O VAL B 59 -20.304 -3.261 3.777 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.742 -1.131 5.763 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.675 -1.770 4.871 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.458 0.362 5.922 1.00 0.00 C ATOM 0 H VAL B 59 -20.821 -0.489 6.974 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.131 -0.752 4.181 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.721 -1.623 6.736 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.695 -1.649 5.332 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.890 -2.832 4.749 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.679 -1.285 3.895 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.477 0.499 6.376 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.476 0.842 4.944 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.219 0.811 6.560 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.815 -3.469 5.900 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.149 -4.909 5.725 1.00 0.00 C ATOM 1962 C GLN B 60 -22.339 -5.031 4.778 1.00 0.00 C ATOM 1963 O GLN B 60 -22.342 -5.816 3.850 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.533 -5.508 7.077 1.00 0.00 C ATOM 1965 CG GLN B 60 -20.285 -5.682 7.934 1.00 0.00 C ATOM 1966 CD GLN B 60 -19.590 -4.332 8.114 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -18.849 -3.898 7.254 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -19.797 -3.646 9.204 1.00 0.00 N ATOM 0 H GLN B 60 -20.926 -3.109 6.848 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.287 -5.438 5.317 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -22.247 -4.858 7.584 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.024 -6.470 6.933 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -20.554 -6.095 8.906 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -19.605 -6.392 7.463 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -20.419 -4.010 9.926 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -19.337 -2.745 9.335 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.355 -4.259 5.026 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.576 -4.312 4.169 1.00 0.00 C ATOM 1979 C GLU B 61 -24.217 -4.001 2.714 1.00 0.00 C ATOM 1980 O GLU B 61 -24.595 -4.718 1.809 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.593 -3.284 4.673 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.961 -3.572 4.051 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.991 -2.588 4.609 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.895 -1.415 4.285 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.858 -3.022 5.348 1.00 0.00 O ATOM 0 H GLU B 61 -23.396 -3.586 5.792 1.00 0.00 H new ATOM 0 HA GLU B 61 -25.003 -5.313 4.221 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.660 -3.326 5.760 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.268 -2.277 4.412 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.906 -3.481 2.966 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.264 -4.596 4.270 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.493 -2.943 2.474 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.122 -2.608 1.068 1.00 0.00 C ATOM 1994 C TYR B 62 -22.283 -3.745 0.477 1.00 0.00 C ATOM 1995 O TYR B 62 -22.414 -4.082 -0.684 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.314 -1.296 1.033 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.247 -0.097 1.066 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.206 0.039 2.091 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.145 0.893 0.066 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.060 1.160 2.113 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -24.000 2.011 0.088 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.956 2.145 1.111 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.793 3.242 1.134 1.00 0.00 O ATOM 0 H TYR B 62 -23.144 -2.299 3.184 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.030 -2.480 0.479 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.633 -1.258 1.883 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.701 -1.263 0.132 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.286 -0.716 2.859 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.409 0.793 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.794 1.264 2.898 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.922 2.766 -0.681 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.589 3.825 0.373 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.433 -4.351 1.260 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.612 -5.469 0.730 1.00 0.00 C ATOM 2015 C VAL B 63 -21.542 -6.628 0.404 1.00 0.00 C ATOM 2016 O VAL B 63 -21.407 -7.289 -0.604 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.588 -5.898 1.786 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.930 -7.219 1.370 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.512 -4.817 1.919 1.00 0.00 C ATOM 0 H VAL B 63 -21.274 -4.119 2.240 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.077 -5.157 -0.167 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.095 -6.034 2.741 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.203 -7.517 2.126 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.693 -7.992 1.275 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.425 -7.088 0.413 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.782 -5.120 2.670 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -18.011 -4.682 0.960 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.975 -3.878 2.222 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.494 -6.871 1.258 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.445 -7.981 1.015 1.00 0.00 C ATOM 2031 C TYR B 64 -24.225 -7.699 -0.267 1.00 0.00 C ATOM 2032 O TYR B 64 -24.438 -8.570 -1.086 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.416 -8.081 2.196 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.075 -9.442 2.205 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.352 -10.571 2.636 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.412 -9.582 1.782 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.965 -11.839 2.645 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.025 -10.849 1.791 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.302 -11.978 2.223 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.903 -13.220 2.231 1.00 0.00 O ATOM 0 H TYR B 64 -22.653 -6.344 2.117 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.901 -8.920 0.912 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.882 -7.920 3.132 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.174 -7.301 2.123 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.327 -10.465 2.960 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.967 -8.717 1.451 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.410 -12.705 2.975 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.050 -10.956 1.467 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.826 -13.139 1.911 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.649 -6.483 -0.439 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.421 -6.122 -1.660 1.00 0.00 C ATOM 2052 C ASP B 65 -24.555 -6.366 -2.898 1.00 0.00 C ATOM 2053 O ASP B 65 -25.040 -6.743 -3.947 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.808 -4.641 -1.586 1.00 0.00 C ATOM 2055 CG ASP B 65 -27.023 -4.468 -0.670 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.122 -5.207 0.295 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -27.832 -3.599 -0.951 1.00 0.00 O ATOM 0 H ASP B 65 -24.494 -5.717 0.216 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.321 -6.733 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.970 -4.055 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.036 -4.265 -2.583 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.276 -6.153 -2.781 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.368 -6.369 -3.942 1.00 0.00 C ATOM 2064 C LEU B 66 -22.212 -7.871 -4.198 1.00 0.00 C ATOM 2065 O LEU B 66 -22.018 -8.303 -5.316 1.00 0.00 O ATOM 2066 CB LEU B 66 -21.003 -5.746 -3.619 1.00 0.00 C ATOM 2067 CG LEU B 66 -21.040 -4.223 -3.864 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.925 -3.543 -3.064 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.825 -3.915 -5.355 1.00 0.00 C ATOM 0 H LEU B 66 -22.817 -5.837 -1.927 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.783 -5.902 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.739 -5.948 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.231 -6.203 -4.239 1.00 0.00 H new ATOM 0 HG LEU B 66 -22.014 -3.849 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.955 -2.468 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.067 -3.741 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.959 -3.936 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.854 -2.837 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.856 -4.302 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.613 -4.388 -5.941 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.302 -8.668 -3.172 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.166 -10.141 -3.358 1.00 0.00 C ATOM 2083 C GLU B 67 -23.424 -10.678 -4.037 1.00 0.00 C ATOM 2084 O GLU B 67 -23.391 -11.672 -4.736 1.00 0.00 O ATOM 2085 CB GLU B 67 -22.002 -10.815 -1.995 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.636 -10.464 -1.415 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.372 -11.315 -0.172 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -20.071 -12.486 -0.332 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -20.476 -10.780 0.920 1.00 0.00 O ATOM 0 H GLU B 67 -22.464 -8.365 -2.212 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.293 -10.352 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.791 -10.488 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.098 -11.896 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.858 -10.638 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.600 -9.405 -1.158 1.00 0.00 H new