USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1198 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 43 MET CE :methyl -117:sc= -0.114 (180deg=-0.872) USER MOD Set 1.2: B 51 THR OG1 : rot 118:sc= 0.244 USER MOD Set 2.1: B 35 SER OG : rot 180:sc= -0.0111 USER MOD Set 2.2: B 74 GLN : amide:sc= -3.28! C(o=-3.3!,f=-5.3!) USER MOD Set 3.1: B 24 TYR OH : rot -72:sc= 1.17 USER MOD Set 3.2: B 45 THR OG1 : rot -67:sc= 2.2 USER MOD Set 4.1: A 24 TYR OH : rot -60:sc= 1.24 USER MOD Set 4.2: A 45 THR OG1 : rot -79:sc= 2.12 USER MOD Set 5.1: A 43 MET CE :methyl -117:sc= -0.159 (180deg=-0.916) USER MOD Set 5.2: A 51 THR OG1 : rot 122:sc= 0.268 USER MOD Set 6.1: A 35 SER OG : rot 180:sc=-0.00125 USER MOD Set 6.2: A 74 GLN : amide:sc= -3.4! C(o=-3.4!,f=-5.3!) USER MOD Set 7.1: A 13 CYS SG : rot 82:sc= -3.78! USER MOD Set 7.2: B 13 CYS SG : rot -107:sc= -4.18! USER MOD Single : A 8 THR OG1 : rot -151:sc= -0.673! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -37:sc= 0.0183 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.48 F(o=-2.1!,f=-1.5) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.818) USER MOD Single : A 33 THR OG1 : rot -100:sc= 1.29 USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= 1.22 (180deg=1.03) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 87:sc= 0.0209 USER MOD Single : A 44 ASN : amide:sc= -2.92! C(o=-2.9!,f=-6.8!) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.0359 (180deg=-0.292) USER MOD Single : A 63 MET CE :methyl 146:sc= -0.215 (180deg=-1.82!) USER MOD Single : A 64 MET CE :methyl -156:sc= -1.12 (180deg=-2.35) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 1.32 (180deg=1.09) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0428) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc=-0.00438 X(o=-0.0044,f=0.47) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 103:sc= 0.157 USER MOD Single : A 82 ASN : amide:sc= 1.15 K(o=1.1,f=-0.054) USER MOD Single : A 89 MET CE :methyl -174:sc= -0.832 (180deg=-1.04) USER MOD Single : A 91 CYS SG : rot 68:sc= 0.88 USER MOD Single : A 92 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-2.9) USER MOD Single : A 94 SER OG : rot 99:sc= 1.26 USER MOD Single : B 8 THR OG1 : rot -132:sc= -0.681! USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot -37:sc=-0.00847 USER MOD Single : B 22 GLN :FLIP amide:sc= -1.55 F(o=-2.1!,f=-1.6) USER MOD Single : B 23 LYS NZ :NH3+ 155:sc= 1.19 (180deg=0.775) USER MOD Single : B 33 THR OG1 : rot -82:sc= 1.24 USER MOD Single : B 36 LYS NZ :NH3+ -153:sc= 1.27 (180deg=0.936) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 87:sc= 0.023 USER MOD Single : B 44 ASN : amide:sc= -3.04! C(o=-3!,f=-6.9!) USER MOD Single : B 52 LYS NZ :NH3+ -164:sc= -0.039 (180deg=-0.28) USER MOD Single : B 63 MET CE :methyl 146:sc= -0.217 (180deg=-1.83!) USER MOD Single : B 64 MET CE :methyl -156:sc= -1.23 (180deg=-2.36) USER MOD Single : B 65 LYS NZ :NH3+ 155:sc= 1.28 (180deg=1.13) USER MOD Single : B 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0484) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc=-0.00149 X(o=-0.0015,f=0.44) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 78 SER OG : rot 104:sc= 0.145 USER MOD Single : B 82 ASN : amide:sc= 1.19 K(o=1.2,f=-0.039) USER MOD Single : B 89 MET CE :methyl -176:sc= -0.85 (180deg=-1.02) USER MOD Single : B 91 CYS SG : rot 68:sc= 0.878 USER MOD Single : B 92 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.6) USER MOD Single : B 94 SER OG : rot 102:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -5.241 8.789 11.679 1.00 0.69 N ATOM 94 CA PRO A 7 -5.370 7.952 10.484 1.00 0.54 C ATOM 95 C PRO A 7 -6.089 6.639 10.767 1.00 0.44 C ATOM 96 O PRO A 7 -6.071 6.126 11.889 1.00 0.56 O ATOM 97 CB PRO A 7 -3.915 7.678 10.124 1.00 0.61 C ATOM 98 CG PRO A 7 -3.263 7.594 11.448 1.00 0.75 C ATOM 99 CD PRO A 7 -3.879 8.711 12.245 1.00 0.82 C ATOM 0 HA PRO A 7 -5.955 8.434 9.700 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -3.805 6.752 9.559 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -3.492 8.476 9.514 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -3.442 6.627 11.917 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.183 7.714 11.366 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -3.894 8.489 13.312 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -3.334 9.647 12.122 1.00 0.82 H new ATOM 107 N THR A 8 -6.720 6.105 9.744 1.00 0.34 N ATOM 108 CA THR A 8 -7.382 4.825 9.844 1.00 0.27 C ATOM 109 C THR A 8 -6.439 3.712 9.433 1.00 0.28 C ATOM 110 O THR A 8 -5.274 3.967 9.143 1.00 0.35 O ATOM 111 CB THR A 8 -8.610 4.791 8.944 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.189 4.740 7.579 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.467 6.021 9.190 1.00 0.32 C ATOM 0 H THR A 8 -6.788 6.543 8.826 1.00 0.34 H new ATOM 0 HA THR A 8 -7.687 4.681 10.880 1.00 0.27 H new ATOM 0 HB THR A 8 -9.206 3.907 9.168 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.862 5.172 7.013 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.343 5.989 8.543 1.00 0.32 H new ATOM 0 HG22 THR A 8 -9.786 6.040 10.232 1.00 0.32 H new ATOM 0 HG23 THR A 8 -8.887 6.918 8.972 1.00 0.32 H new ATOM 121 N GLU A 9 -6.962 2.495 9.380 1.00 0.28 N ATOM 122 CA GLU A 9 -6.188 1.308 9.023 1.00 0.33 C ATOM 123 C GLU A 9 -5.350 1.543 7.769 1.00 0.36 C ATOM 124 O GLU A 9 -4.145 1.304 7.755 1.00 0.52 O ATOM 125 CB GLU A 9 -7.144 0.145 8.774 1.00 0.40 C ATOM 126 CG GLU A 9 -6.472 -1.206 8.733 1.00 0.56 C ATOM 127 CD GLU A 9 -6.112 -1.705 10.116 1.00 1.73 C ATOM 128 OE1 GLU A 9 -7.031 -2.082 10.869 1.00 2.48 O ATOM 129 OE2 GLU A 9 -4.918 -1.710 10.464 1.00 2.47 O ATOM 0 H GLU A 9 -7.942 2.299 9.584 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.512 1.081 9.847 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.903 0.138 9.557 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.662 0.310 7.829 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -7.133 -1.925 8.249 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.570 -1.143 8.124 1.00 0.56 H new ATOM 136 N THR A 10 -5.993 2.033 6.726 1.00 0.26 N ATOM 137 CA THR A 10 -5.319 2.258 5.460 1.00 0.27 C ATOM 138 C THR A 10 -4.446 3.495 5.518 1.00 0.27 C ATOM 139 O THR A 10 -3.349 3.500 4.975 1.00 0.31 O ATOM 140 CB THR A 10 -6.321 2.367 4.287 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.737 3.073 3.183 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.599 3.058 4.733 1.00 0.25 C ATOM 0 H THR A 10 -6.982 2.283 6.730 1.00 0.26 H new ATOM 0 HA THR A 10 -4.684 1.391 5.280 1.00 0.27 H new ATOM 0 HB THR A 10 -6.568 1.356 3.961 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.386 3.130 2.451 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.289 3.124 3.892 1.00 0.25 H new ATOM 0 HG22 THR A 10 -8.061 2.485 5.538 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.365 4.061 5.090 1.00 0.25 H new ATOM 150 N GLU A 11 -4.905 4.525 6.201 1.00 0.25 N ATOM 151 CA GLU A 11 -4.161 5.769 6.248 1.00 0.27 C ATOM 152 C GLU A 11 -2.871 5.595 7.032 1.00 0.30 C ATOM 153 O GLU A 11 -1.821 6.099 6.639 1.00 0.32 O ATOM 154 CB GLU A 11 -5.007 6.868 6.855 1.00 0.29 C ATOM 155 CG GLU A 11 -6.383 6.936 6.243 1.00 0.41 C ATOM 156 CD GLU A 11 -7.188 8.111 6.744 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.243 8.310 7.974 1.00 1.85 O ATOM 158 OE2 GLU A 11 -7.787 8.822 5.915 1.00 1.71 O ATOM 0 H GLU A 11 -5.780 4.527 6.726 1.00 0.25 H new ATOM 0 HA GLU A 11 -3.904 6.053 5.228 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.097 6.703 7.929 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.505 7.826 6.721 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.291 7.000 5.159 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -6.920 6.013 6.463 1.00 0.41 H new ATOM 165 N ARG A 12 -2.945 4.850 8.128 1.00 0.35 N ATOM 166 CA ARG A 12 -1.761 4.572 8.928 1.00 0.42 C ATOM 167 C ARG A 12 -0.848 3.609 8.184 1.00 0.43 C ATOM 168 O ARG A 12 0.367 3.635 8.356 1.00 0.47 O ATOM 169 CB ARG A 12 -2.127 4.049 10.332 1.00 0.48 C ATOM 170 CG ARG A 12 -2.970 2.778 10.378 1.00 0.49 C ATOM 171 CD ARG A 12 -2.170 1.535 10.043 1.00 0.56 C ATOM 172 NE ARG A 12 -2.768 0.332 10.610 1.00 1.08 N ATOM 173 CZ ARG A 12 -2.399 -0.208 11.770 1.00 1.35 C ATOM 174 NH1 ARG A 12 -1.459 0.367 12.509 1.00 1.86 N ATOM 175 NH2 ARG A 12 -2.984 -1.315 12.195 1.00 1.95 N ATOM 0 H ARG A 12 -3.806 4.431 8.480 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.222 5.507 9.082 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.203 3.868 10.882 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.664 4.836 10.862 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.403 2.670 11.372 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.800 2.871 9.677 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -2.100 1.430 8.960 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.153 1.646 10.419 1.00 0.56 H new ATOM 0 HE ARG A 12 -3.515 -0.124 10.086 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -1.015 1.228 12.190 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -1.181 -0.052 13.397 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -3.715 -1.753 11.635 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -2.704 -1.731 13.083 1.00 1.95 H new ATOM 189 N CYS A 13 -1.444 2.776 7.334 1.00 0.42 N ATOM 190 CA CYS A 13 -0.674 1.897 6.466 1.00 0.44 C ATOM 191 C CYS A 13 0.120 2.750 5.509 1.00 0.30 C ATOM 192 O CYS A 13 1.290 2.507 5.226 1.00 0.29 O ATOM 193 CB CYS A 13 -1.602 0.977 5.663 1.00 0.57 C ATOM 194 SG CYS A 13 -1.317 1.031 3.877 1.00 2.16 S ATOM 0 H CYS A 13 -2.455 2.693 7.230 1.00 0.42 H new ATOM 0 HA CYS A 13 -0.015 1.279 7.076 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -1.473 -0.048 6.011 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -2.637 1.254 5.865 1.00 0.57 H new ATOM 0 HG CYS A 13 -0.311 0.265 3.575 1.00 2.16 H new ATOM 200 N ILE A 14 -0.543 3.771 5.037 1.00 0.26 N ATOM 201 CA ILE A 14 0.003 4.649 4.051 1.00 0.24 C ATOM 202 C ILE A 14 1.146 5.481 4.616 1.00 0.21 C ATOM 203 O ILE A 14 2.180 5.645 3.970 1.00 0.23 O ATOM 204 CB ILE A 14 -1.119 5.538 3.504 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.030 4.705 2.600 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.555 6.735 2.772 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.328 5.392 2.270 1.00 0.27 C ATOM 0 H ILE A 14 -1.488 4.015 5.333 1.00 0.26 H new ATOM 0 HA ILE A 14 0.423 4.058 3.237 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.709 5.924 4.335 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.502 4.477 1.674 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.244 3.754 3.088 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.373 7.349 2.394 1.00 0.27 H new ATOM 0 HG22 ILE A 14 0.056 7.325 3.455 1.00 0.27 H new ATOM 0 HG23 ILE A 14 0.059 6.395 1.938 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -3.927 4.748 1.626 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.876 5.596 3.190 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.122 6.330 1.754 1.00 0.27 H new ATOM 219 N GLU A 15 0.990 5.957 5.841 1.00 0.24 N ATOM 220 CA GLU A 15 2.007 6.787 6.452 1.00 0.28 C ATOM 221 C GLU A 15 3.155 5.924 6.909 1.00 0.30 C ATOM 222 O GLU A 15 4.287 6.385 7.020 1.00 0.34 O ATOM 223 CB GLU A 15 1.457 7.545 7.647 1.00 0.32 C ATOM 224 CG GLU A 15 0.214 8.362 7.346 1.00 0.33 C ATOM 225 CD GLU A 15 -0.294 9.101 8.565 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.428 8.470 9.636 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.556 10.319 8.463 1.00 1.06 O ATOM 0 H GLU A 15 0.173 5.782 6.426 1.00 0.24 H new ATOM 0 HA GLU A 15 2.345 7.508 5.707 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.227 6.834 8.440 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.232 8.210 8.029 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.435 9.079 6.555 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.569 7.704 6.970 1.00 0.33 H new ATOM 234 N SER A 16 2.856 4.664 7.183 1.00 0.31 N ATOM 235 CA SER A 16 3.879 3.740 7.603 1.00 0.38 C ATOM 236 C SER A 16 4.807 3.450 6.436 1.00 0.29 C ATOM 237 O SER A 16 6.002 3.234 6.613 1.00 0.28 O ATOM 238 CB SER A 16 3.259 2.458 8.175 1.00 0.54 C ATOM 239 OG SER A 16 2.695 1.639 7.172 1.00 0.97 O ATOM 0 H SER A 16 1.919 4.267 7.121 1.00 0.31 H new ATOM 0 HA SER A 16 4.466 4.189 8.404 1.00 0.38 H new ATOM 0 HB2 SER A 16 4.023 1.896 8.712 1.00 0.54 H new ATOM 0 HB3 SER A 16 2.489 2.722 8.900 1.00 0.54 H new ATOM 0 HG SER A 16 2.282 2.202 6.484 1.00 0.97 H new ATOM 245 N LEU A 17 4.250 3.494 5.232 1.00 0.27 N ATOM 246 CA LEU A 17 5.044 3.364 4.026 1.00 0.28 C ATOM 247 C LEU A 17 5.914 4.589 3.860 1.00 0.27 C ATOM 248 O LEU A 17 7.054 4.486 3.445 1.00 0.32 O ATOM 249 CB LEU A 17 4.145 3.187 2.812 1.00 0.29 C ATOM 250 CG LEU A 17 3.213 1.987 2.911 1.00 0.33 C ATOM 251 CD1 LEU A 17 2.271 1.918 1.722 1.00 0.33 C ATOM 252 CD2 LEU A 17 4.025 0.705 3.045 1.00 0.46 C ATOM 0 H LEU A 17 3.251 3.619 5.069 1.00 0.27 H new ATOM 0 HA LEU A 17 5.678 2.482 4.112 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.548 4.089 2.678 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.767 3.081 1.923 1.00 0.29 H new ATOM 0 HG LEU A 17 2.597 2.103 3.803 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.619 1.050 1.824 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.666 2.824 1.684 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.851 1.831 0.803 1.00 0.33 H new ATOM 0 HD21 LEU A 17 3.350 -0.148 3.115 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.667 0.588 2.172 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.640 0.756 3.944 1.00 0.46 H new ATOM 264 N ILE A 18 5.369 5.745 4.206 1.00 0.27 N ATOM 265 CA ILE A 18 6.139 6.977 4.231 1.00 0.30 C ATOM 266 C ILE A 18 7.275 6.853 5.244 1.00 0.28 C ATOM 267 O ILE A 18 8.396 7.285 4.988 1.00 0.30 O ATOM 268 CB ILE A 18 5.238 8.209 4.552 1.00 0.36 C ATOM 269 CG1 ILE A 18 4.614 8.781 3.269 1.00 0.63 C ATOM 270 CG2 ILE A 18 6.022 9.298 5.267 1.00 0.47 C ATOM 271 CD1 ILE A 18 3.727 7.818 2.515 1.00 1.37 C ATOM 0 H ILE A 18 4.391 5.855 4.475 1.00 0.27 H new ATOM 0 HA ILE A 18 6.562 7.139 3.240 1.00 0.30 H new ATOM 0 HB ILE A 18 4.442 7.864 5.212 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.031 9.665 3.528 1.00 0.63 H new ATOM 0 HG13 ILE A 18 5.415 9.110 2.607 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.365 10.142 5.476 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.418 8.906 6.204 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.846 9.628 4.635 1.00 0.47 H new ATOM 0 HD11 ILE A 18 3.332 8.308 1.625 1.00 1.37 H new ATOM 0 HD12 ILE A 18 4.307 6.944 2.220 1.00 1.37 H new ATOM 0 HD13 ILE A 18 2.901 7.507 3.155 1.00 1.37 H new ATOM 283 N ALA A 19 6.981 6.227 6.376 1.00 0.25 N ATOM 284 CA ALA A 19 7.970 6.012 7.422 1.00 0.25 C ATOM 285 C ALA A 19 9.118 5.133 6.931 1.00 0.23 C ATOM 286 O ALA A 19 10.278 5.554 6.948 1.00 0.28 O ATOM 287 CB ALA A 19 7.314 5.396 8.650 1.00 0.28 C ATOM 0 H ALA A 19 6.056 5.856 6.594 1.00 0.25 H new ATOM 0 HA ALA A 19 8.388 6.981 7.694 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.065 5.241 9.424 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.540 6.067 9.024 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.866 4.439 8.382 1.00 0.28 H new ATOM 293 N VAL A 20 8.797 3.917 6.486 1.00 0.20 N ATOM 294 CA VAL A 20 9.823 2.987 6.017 1.00 0.22 C ATOM 295 C VAL A 20 10.501 3.497 4.752 1.00 0.23 C ATOM 296 O VAL A 20 11.726 3.429 4.631 1.00 0.27 O ATOM 297 CB VAL A 20 9.282 1.556 5.774 1.00 0.27 C ATOM 298 CG1 VAL A 20 7.977 1.578 5.002 1.00 0.87 C ATOM 299 CG2 VAL A 20 10.312 0.717 5.039 1.00 0.87 C ATOM 0 H VAL A 20 7.844 3.556 6.441 1.00 0.20 H new ATOM 0 HA VAL A 20 10.555 2.930 6.823 1.00 0.22 H new ATOM 0 HB VAL A 20 9.087 1.107 6.748 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.627 0.557 4.850 1.00 0.87 H new ATOM 0 HG12 VAL A 20 7.230 2.137 5.566 1.00 0.87 H new ATOM 0 HG13 VAL A 20 8.134 2.055 4.035 1.00 0.87 H new ATOM 0 HG21 VAL A 20 9.916 -0.285 4.876 1.00 0.87 H new ATOM 0 HG22 VAL A 20 10.538 1.178 4.078 1.00 0.87 H new ATOM 0 HG23 VAL A 20 11.223 0.655 5.635 1.00 0.87 H new ATOM 309 N PHE A 21 9.717 4.017 3.821 1.00 0.23 N ATOM 310 CA PHE A 21 10.276 4.527 2.576 1.00 0.25 C ATOM 311 C PHE A 21 11.320 5.597 2.860 1.00 0.29 C ATOM 312 O PHE A 21 12.434 5.531 2.362 1.00 0.35 O ATOM 313 CB PHE A 21 9.182 5.108 1.679 1.00 0.26 C ATOM 314 CG PHE A 21 9.701 5.701 0.403 1.00 0.91 C ATOM 315 CD1 PHE A 21 10.095 4.887 -0.640 1.00 1.85 C ATOM 316 CD2 PHE A 21 9.799 7.074 0.250 1.00 1.59 C ATOM 317 CE1 PHE A 21 10.578 5.426 -1.812 1.00 2.48 C ATOM 318 CE2 PHE A 21 10.283 7.618 -0.921 1.00 2.17 C ATOM 319 CZ PHE A 21 10.673 6.793 -1.953 1.00 2.40 C ATOM 0 H PHE A 21 8.703 4.097 3.900 1.00 0.23 H new ATOM 0 HA PHE A 21 10.747 3.692 2.058 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.466 4.322 1.439 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.640 5.875 2.232 1.00 0.26 H new ATOM 0 HD1 PHE A 21 10.024 3.814 -0.536 1.00 1.85 H new ATOM 0 HD2 PHE A 21 9.493 7.725 1.056 1.00 1.59 H new ATOM 0 HE1 PHE A 21 10.882 4.777 -2.620 1.00 2.48 H new ATOM 0 HE2 PHE A 21 10.356 8.690 -1.029 1.00 2.17 H new ATOM 0 HZ PHE A 21 11.053 7.217 -2.871 1.00 2.40 H new ATOM 329 N GLN A 22 10.963 6.550 3.702 1.00 0.30 N ATOM 330 CA GLN A 22 11.792 7.720 3.932 1.00 0.37 C ATOM 331 C GLN A 22 13.010 7.420 4.797 1.00 0.36 C ATOM 332 O GLN A 22 13.999 8.148 4.738 1.00 0.44 O ATOM 333 CB GLN A 22 10.939 8.833 4.535 1.00 0.47 C ATOM 334 CG GLN A 22 10.195 9.632 3.482 1.00 1.12 C ATOM 335 CD GLN A 22 9.196 10.606 4.065 1.00 1.98 C ATOM 336 OE1 GLN A 22 8.154 10.906 3.305 1.00 2.68 O flip ATOM 337 NE2 GLN A 22 9.357 11.095 5.178 1.00 2.66 N flip ATOM 0 H GLN A 22 10.098 6.536 4.242 1.00 0.30 H new ATOM 0 HA GLN A 22 12.187 8.047 2.970 1.00 0.37 H new ATOM 0 HB2 GLN A 22 10.221 8.399 5.231 1.00 0.47 H new ATOM 0 HB3 GLN A 22 11.577 9.503 5.111 1.00 0.47 H new ATOM 0 HG2 GLN A 22 10.916 10.181 2.876 1.00 1.12 H new ATOM 0 HG3 GLN A 22 9.675 8.945 2.815 1.00 1.12 H new ATOM 0 HE21 GLN A 22 10.173 10.839 5.734 1.00 2.66 H new ATOM 0 HE22 GLN A 22 8.675 11.757 5.548 1.00 2.66 H new ATOM 346 N LYS A 23 12.973 6.352 5.579 1.00 0.35 N ATOM 347 CA LYS A 23 14.129 6.016 6.395 1.00 0.39 C ATOM 348 C LYS A 23 15.188 5.288 5.566 1.00 0.40 C ATOM 349 O LYS A 23 16.385 5.471 5.781 1.00 0.49 O ATOM 350 CB LYS A 23 13.728 5.191 7.625 1.00 0.41 C ATOM 351 CG LYS A 23 13.078 3.874 7.313 1.00 0.42 C ATOM 352 CD LYS A 23 12.393 3.319 8.540 1.00 0.63 C ATOM 353 CE LYS A 23 12.285 1.818 8.452 1.00 0.63 C ATOM 354 NZ LYS A 23 11.552 1.218 9.597 1.00 0.91 N ATOM 0 H LYS A 23 12.178 5.718 5.666 1.00 0.35 H new ATOM 0 HA LYS A 23 14.563 6.949 6.755 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.617 5.008 8.228 1.00 0.41 H new ATOM 0 HB3 LYS A 23 13.045 5.782 8.235 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.352 4.001 6.510 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.827 3.167 6.956 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.953 3.597 9.433 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.399 3.756 8.638 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.780 1.550 7.524 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.286 1.390 8.405 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.244 0.257 9.347 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.178 1.176 10.426 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.720 1.801 9.821 1.00 0.91 H new ATOM 368 N TYR A 24 14.745 4.471 4.615 1.00 0.36 N ATOM 369 CA TYR A 24 15.666 3.737 3.752 1.00 0.39 C ATOM 370 C TYR A 24 16.076 4.552 2.535 1.00 0.34 C ATOM 371 O TYR A 24 17.244 4.579 2.166 1.00 0.40 O ATOM 372 CB TYR A 24 15.058 2.404 3.329 1.00 0.46 C ATOM 373 CG TYR A 24 15.081 1.382 4.438 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.245 0.691 4.744 1.00 1.67 C ATOM 375 CD2 TYR A 24 13.952 1.128 5.196 1.00 1.52 C ATOM 376 CE1 TYR A 24 16.282 -0.222 5.779 1.00 1.99 C ATOM 377 CE2 TYR A 24 13.980 0.214 6.228 1.00 1.83 C ATOM 378 CZ TYR A 24 15.145 -0.456 6.517 1.00 1.72 C ATOM 379 OH TYR A 24 15.176 -1.356 7.560 1.00 2.15 O ATOM 0 H TYR A 24 13.758 4.301 4.422 1.00 0.36 H new ATOM 0 HA TYR A 24 16.569 3.542 4.330 1.00 0.39 H new ATOM 0 HB2 TYR A 24 14.029 2.563 3.007 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.604 2.015 2.470 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.137 0.871 4.163 1.00 1.67 H new ATOM 0 HD2 TYR A 24 13.035 1.654 4.976 1.00 1.52 H new ATOM 0 HE1 TYR A 24 17.197 -0.749 6.007 1.00 1.99 H new ATOM 0 HE2 TYR A 24 13.089 0.025 6.808 1.00 1.83 H new ATOM 0 HH TYR A 24 15.418 -2.243 7.220 1.00 2.15 H new ATOM 389 N ALA A 25 15.116 5.216 1.915 1.00 0.29 N ATOM 390 CA ALA A 25 15.397 6.058 0.762 1.00 0.34 C ATOM 391 C ALA A 25 16.227 7.259 1.183 1.00 0.47 C ATOM 392 O ALA A 25 17.043 7.773 0.419 1.00 0.58 O ATOM 393 CB ALA A 25 14.102 6.507 0.106 1.00 0.37 C ATOM 0 H ALA A 25 14.134 5.189 2.190 1.00 0.29 H new ATOM 0 HA ALA A 25 15.966 5.479 0.035 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.329 7.136 -0.755 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.538 5.634 -0.222 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.508 7.074 0.823 1.00 0.37 H new ATOM 399 N GLY A 26 16.028 7.677 2.426 1.00 0.49 N ATOM 400 CA GLY A 26 16.753 8.810 2.959 1.00 0.64 C ATOM 401 C GLY A 26 18.218 8.498 3.209 1.00 0.75 C ATOM 402 O GLY A 26 19.009 9.396 3.496 1.00 0.96 O ATOM 0 H GLY A 26 15.372 7.247 3.078 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.676 9.646 2.264 1.00 0.64 H new ATOM 0 HA3 GLY A 26 16.288 9.128 3.892 1.00 0.64 H new ATOM 503 N THR A 33 14.771 8.867 -3.061 1.00 0.67 N ATOM 504 CA THR A 33 14.430 7.659 -3.791 1.00 0.46 C ATOM 505 C THR A 33 15.283 6.514 -3.256 1.00 0.38 C ATOM 506 O THR A 33 16.444 6.704 -2.895 1.00 0.44 O ATOM 507 CB THR A 33 14.682 7.900 -5.297 1.00 0.45 C ATOM 508 OG1 THR A 33 14.261 9.225 -5.645 1.00 0.66 O ATOM 509 CG2 THR A 33 13.943 6.911 -6.171 1.00 0.43 C ATOM 0 HA THR A 33 13.380 7.399 -3.659 1.00 0.46 H new ATOM 0 HB THR A 33 15.750 7.770 -5.471 1.00 0.45 H new ATOM 0 HG1 THR A 33 13.378 9.187 -6.068 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.153 7.124 -7.219 1.00 0.43 H new ATOM 0 HG22 THR A 33 14.271 5.899 -5.933 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.871 6.997 -5.992 1.00 0.43 H new ATOM 517 N LEU A 34 14.699 5.333 -3.197 1.00 0.32 N ATOM 518 CA LEU A 34 15.297 4.208 -2.502 1.00 0.30 C ATOM 519 C LEU A 34 16.278 3.499 -3.408 1.00 0.31 C ATOM 520 O LEU A 34 15.900 2.738 -4.291 1.00 0.34 O ATOM 521 CB LEU A 34 14.162 3.276 -2.066 1.00 0.30 C ATOM 522 CG LEU A 34 14.093 2.960 -0.575 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.685 2.557 -0.177 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.057 1.851 -0.223 1.00 0.28 C ATOM 0 H LEU A 34 13.798 5.126 -3.628 1.00 0.32 H new ATOM 0 HA LEU A 34 15.853 4.542 -1.626 1.00 0.30 H new ATOM 0 HB2 LEU A 34 13.215 3.724 -2.367 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.259 2.338 -2.612 1.00 0.30 H new ATOM 0 HG LEU A 34 14.371 3.860 -0.027 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.658 2.336 0.890 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.997 3.374 -0.396 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.387 1.672 -0.739 1.00 0.45 H new ATOM 0 HD21 LEU A 34 14.994 1.639 0.844 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.801 0.954 -0.787 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.072 2.159 -0.472 1.00 0.28 H new ATOM 536 N SER A 35 17.549 3.761 -3.162 1.00 0.32 N ATOM 537 CA SER A 35 18.605 3.284 -4.023 1.00 0.33 C ATOM 538 C SER A 35 18.805 1.785 -3.861 1.00 0.32 C ATOM 539 O SER A 35 18.259 1.178 -2.942 1.00 0.30 O ATOM 540 CB SER A 35 19.895 4.060 -3.745 1.00 0.37 C ATOM 541 OG SER A 35 20.878 3.801 -4.733 1.00 0.40 O ATOM 0 H SER A 35 17.872 4.307 -2.364 1.00 0.32 H new ATOM 0 HA SER A 35 18.320 3.458 -5.061 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.680 5.128 -3.715 1.00 0.37 H new ATOM 0 HB3 SER A 35 20.282 3.785 -2.764 1.00 0.37 H new ATOM 0 HG SER A 35 21.689 4.312 -4.529 1.00 0.40 H new ATOM 547 N LYS A 36 19.593 1.208 -4.761 1.00 0.38 N ATOM 548 CA LYS A 36 19.744 -0.238 -4.860 1.00 0.42 C ATOM 549 C LYS A 36 20.034 -0.870 -3.503 1.00 0.36 C ATOM 550 O LYS A 36 19.231 -1.646 -2.995 1.00 0.35 O ATOM 551 CB LYS A 36 20.862 -0.582 -5.847 1.00 0.53 C ATOM 552 CG LYS A 36 20.941 -2.060 -6.188 1.00 0.62 C ATOM 553 CD LYS A 36 19.689 -2.528 -6.909 1.00 0.66 C ATOM 554 CE LYS A 36 19.771 -4.001 -7.278 1.00 0.61 C ATOM 555 NZ LYS A 36 20.826 -4.267 -8.291 1.00 0.65 N ATOM 0 H LYS A 36 20.145 1.730 -5.442 1.00 0.38 H new ATOM 0 HA LYS A 36 18.800 -0.646 -5.222 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.712 -0.014 -6.765 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.816 -0.263 -5.427 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.814 -2.245 -6.814 1.00 0.62 H new ATOM 0 HG3 LYS A 36 21.075 -2.639 -5.275 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.819 -2.360 -6.274 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.545 -1.934 -7.812 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.974 -4.588 -6.382 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.807 -4.332 -7.664 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.542 -5.073 -8.884 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.954 -3.425 -8.888 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.721 -4.489 -7.810 1.00 0.65 H new ATOM 569 N THR A 37 21.153 -0.501 -2.905 1.00 0.37 N ATOM 570 CA THR A 37 21.579 -1.086 -1.642 1.00 0.38 C ATOM 571 C THR A 37 20.607 -0.754 -0.510 1.00 0.36 C ATOM 572 O THR A 37 20.426 -1.535 0.428 1.00 0.38 O ATOM 573 CB THR A 37 22.976 -0.579 -1.269 1.00 0.44 C ATOM 574 OG1 THR A 37 23.888 -0.838 -2.348 1.00 0.48 O ATOM 575 CG2 THR A 37 23.468 -1.262 -0.005 1.00 0.49 C ATOM 0 H THR A 37 21.788 0.206 -3.275 1.00 0.37 H new ATOM 0 HA THR A 37 21.598 -2.168 -1.774 1.00 0.38 H new ATOM 0 HB THR A 37 22.923 0.495 -1.088 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.780 -0.511 -2.108 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.462 -0.891 0.246 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.783 -1.047 0.815 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.514 -2.339 -0.167 1.00 0.49 H new ATOM 583 N GLU A 38 19.956 0.388 -0.624 1.00 0.34 N ATOM 584 CA GLU A 38 19.053 0.857 0.415 1.00 0.34 C ATOM 585 C GLU A 38 17.767 0.055 0.349 1.00 0.34 C ATOM 586 O GLU A 38 17.069 -0.124 1.346 1.00 0.48 O ATOM 587 CB GLU A 38 18.767 2.345 0.236 1.00 0.35 C ATOM 588 CG GLU A 38 19.952 3.135 -0.309 1.00 0.47 C ATOM 589 CD GLU A 38 21.148 3.189 0.628 1.00 1.27 C ATOM 590 OE1 GLU A 38 21.573 2.131 1.137 1.00 2.16 O ATOM 591 OE2 GLU A 38 21.694 4.292 0.825 1.00 1.96 O ATOM 0 H GLU A 38 20.035 1.011 -1.428 1.00 0.34 H new ATOM 0 HA GLU A 38 19.515 0.718 1.392 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.920 2.465 -0.440 1.00 0.35 H new ATOM 0 HB3 GLU A 38 18.471 2.767 1.196 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.265 2.693 -1.255 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.627 4.153 -0.525 1.00 0.47 H new ATOM 598 N PHE A 39 17.476 -0.435 -0.845 1.00 0.29 N ATOM 599 CA PHE A 39 16.321 -1.273 -1.079 1.00 0.31 C ATOM 600 C PHE A 39 16.658 -2.696 -0.693 1.00 0.28 C ATOM 601 O PHE A 39 15.805 -3.452 -0.230 1.00 0.27 O ATOM 602 CB PHE A 39 15.927 -1.195 -2.554 1.00 0.53 C ATOM 603 CG PHE A 39 14.674 -1.940 -2.897 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.447 -1.500 -2.437 1.00 1.78 C ATOM 605 CD2 PHE A 39 14.725 -3.073 -3.690 1.00 1.76 C ATOM 606 CE1 PHE A 39 12.290 -2.179 -2.759 1.00 2.66 C ATOM 607 CE2 PHE A 39 13.574 -3.756 -4.016 1.00 2.62 C ATOM 608 CZ PHE A 39 12.353 -3.309 -3.550 1.00 2.88 C ATOM 0 H PHE A 39 18.038 -0.260 -1.678 1.00 0.29 H new ATOM 0 HA PHE A 39 15.480 -0.931 -0.476 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.800 -0.148 -2.829 1.00 0.53 H new ATOM 0 HB3 PHE A 39 16.746 -1.587 -3.158 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.394 -0.616 -1.819 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.677 -3.426 -4.057 1.00 1.76 H new ATOM 0 HE1 PHE A 39 11.337 -1.827 -2.393 1.00 2.66 H new ATOM 0 HE2 PHE A 39 13.626 -4.640 -4.635 1.00 2.62 H new ATOM 0 HZ PHE A 39 11.449 -3.843 -3.804 1.00 2.88 H new ATOM 618 N LEU A 40 17.921 -3.045 -0.881 1.00 0.33 N ATOM 619 CA LEU A 40 18.425 -4.337 -0.473 1.00 0.37 C ATOM 620 C LEU A 40 18.298 -4.481 1.034 1.00 0.40 C ATOM 621 O LEU A 40 17.769 -5.472 1.527 1.00 0.43 O ATOM 622 CB LEU A 40 19.884 -4.500 -0.893 1.00 0.43 C ATOM 623 CG LEU A 40 20.175 -4.275 -2.380 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.523 -4.865 -2.760 1.00 1.07 C ATOM 625 CD2 LEU A 40 19.065 -4.841 -3.248 1.00 0.46 C ATOM 0 H LEU A 40 18.618 -2.442 -1.318 1.00 0.33 H new ATOM 0 HA LEU A 40 17.837 -5.114 -0.961 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.490 -3.804 -0.313 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.210 -5.505 -0.626 1.00 0.43 H new ATOM 0 HG LEU A 40 20.215 -3.200 -2.557 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.709 -4.694 -3.820 1.00 1.07 H new ATOM 0 HD12 LEU A 40 22.307 -4.388 -2.172 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.520 -5.937 -2.561 1.00 1.07 H new ATOM 0 HD21 LEU A 40 19.299 -4.666 -4.298 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.974 -5.912 -3.070 1.00 0.46 H new ATOM 0 HD23 LEU A 40 18.123 -4.351 -3.000 1.00 0.46 H new ATOM 637 N SER A 41 18.777 -3.475 1.760 1.00 0.42 N ATOM 638 CA SER A 41 18.633 -3.460 3.206 1.00 0.52 C ATOM 639 C SER A 41 17.156 -3.453 3.585 1.00 0.45 C ATOM 640 O SER A 41 16.725 -4.294 4.359 1.00 0.47 O ATOM 641 CB SER A 41 19.371 -2.266 3.824 1.00 0.67 C ATOM 642 OG SER A 41 19.032 -1.048 3.184 1.00 1.40 O ATOM 0 H SER A 41 19.264 -2.667 1.372 1.00 0.42 H new ATOM 0 HA SER A 41 19.088 -4.365 3.608 1.00 0.52 H new ATOM 0 HB2 SER A 41 19.129 -2.199 4.885 1.00 0.67 H new ATOM 0 HB3 SER A 41 20.447 -2.427 3.752 1.00 0.67 H new ATOM 0 HG SER A 41 18.228 -0.673 3.600 1.00 1.40 H new ATOM 648 N PHE A 42 16.389 -2.528 2.993 1.00 0.42 N ATOM 649 CA PHE A 42 14.931 -2.466 3.174 1.00 0.46 C ATOM 650 C PHE A 42 14.300 -3.844 3.070 1.00 0.29 C ATOM 651 O PHE A 42 13.643 -4.303 3.991 1.00 0.43 O ATOM 652 CB PHE A 42 14.318 -1.571 2.101 1.00 0.80 C ATOM 653 CG PHE A 42 12.836 -1.755 1.944 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.978 -1.613 3.020 1.00 2.69 C ATOM 655 CD2 PHE A 42 12.307 -2.101 0.715 1.00 2.77 C ATOM 656 CE1 PHE A 42 10.620 -1.814 2.869 1.00 3.73 C ATOM 657 CE2 PHE A 42 10.955 -2.303 0.560 1.00 3.80 C ATOM 658 CZ PHE A 42 10.109 -2.159 1.638 1.00 4.13 C ATOM 0 H PHE A 42 16.759 -1.804 2.377 1.00 0.42 H new ATOM 0 HA PHE A 42 14.737 -2.063 4.168 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.523 -0.529 2.347 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.805 -1.775 1.147 1.00 0.80 H new ATOM 0 HD1 PHE A 42 12.374 -1.342 3.988 1.00 2.69 H new ATOM 0 HD2 PHE A 42 12.964 -2.214 -0.135 1.00 2.77 H new ATOM 0 HE1 PHE A 42 9.959 -1.701 3.716 1.00 3.73 H new ATOM 0 HE2 PHE A 42 10.557 -2.574 -0.407 1.00 3.80 H new ATOM 0 HZ PHE A 42 9.047 -2.316 1.518 1.00 4.13 H new ATOM 668 N MET A 43 14.487 -4.497 1.945 1.00 0.26 N ATOM 669 CA MET A 43 13.846 -5.780 1.726 1.00 0.29 C ATOM 670 C MET A 43 14.420 -6.876 2.613 1.00 0.29 C ATOM 671 O MET A 43 13.709 -7.794 2.989 1.00 0.37 O ATOM 672 CB MET A 43 13.931 -6.203 0.274 1.00 0.39 C ATOM 673 CG MET A 43 13.068 -5.369 -0.657 1.00 0.62 C ATOM 674 SD MET A 43 12.536 -6.275 -2.127 1.00 1.22 S ATOM 675 CE MET A 43 11.432 -7.489 -1.407 1.00 2.26 C ATOM 0 H MET A 43 15.069 -4.169 1.175 1.00 0.26 H new ATOM 0 HA MET A 43 12.799 -5.642 1.995 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.969 -6.140 -0.053 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.634 -7.248 0.191 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.189 -5.020 -0.114 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.625 -4.484 -0.964 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.827 -8.490 -1.583 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.349 -7.315 -0.334 1.00 2.26 H new ATOM 0 HE3 MET A 43 10.447 -7.402 -1.866 1.00 2.26 H new ATOM 685 N ASN A 44 15.691 -6.800 2.951 1.00 0.29 N ATOM 686 CA ASN A 44 16.287 -7.825 3.801 1.00 0.33 C ATOM 687 C ASN A 44 15.913 -7.622 5.265 1.00 0.32 C ATOM 688 O ASN A 44 16.066 -8.531 6.079 1.00 0.39 O ATOM 689 CB ASN A 44 17.803 -7.844 3.679 1.00 0.42 C ATOM 690 CG ASN A 44 18.304 -8.523 2.419 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.702 -9.473 1.929 1.00 1.54 O ATOM 692 ND2 ASN A 44 19.418 -8.045 1.888 1.00 1.83 N ATOM 0 H ASN A 44 16.326 -6.057 2.660 1.00 0.29 H new ATOM 0 HA ASN A 44 15.889 -8.780 3.456 1.00 0.33 H new ATOM 0 HB2 ASN A 44 18.173 -6.819 3.701 1.00 0.42 H new ATOM 0 HB3 ASN A 44 18.222 -8.353 4.547 1.00 0.42 H new ATOM 0 HD21 ASN A 44 19.803 -8.468 1.044 1.00 1.83 H new ATOM 0 HD22 ASN A 44 19.892 -7.253 2.323 1.00 1.83 H new ATOM 699 N THR A 45 15.452 -6.430 5.605 1.00 0.26 N ATOM 700 CA THR A 45 15.068 -6.130 6.980 1.00 0.29 C ATOM 701 C THR A 45 13.559 -6.088 7.133 1.00 0.28 C ATOM 702 O THR A 45 12.965 -6.868 7.879 1.00 0.34 O ATOM 703 CB THR A 45 15.642 -4.780 7.447 1.00 0.29 C ATOM 704 OG1 THR A 45 15.314 -3.755 6.504 1.00 0.34 O ATOM 705 CG2 THR A 45 17.148 -4.860 7.620 1.00 0.34 C ATOM 0 H THR A 45 15.334 -5.655 4.953 1.00 0.26 H new ATOM 0 HA THR A 45 15.478 -6.930 7.596 1.00 0.29 H new ATOM 0 HB THR A 45 15.198 -4.537 8.413 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.926 -3.805 5.740 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.528 -3.893 7.950 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.389 -5.618 8.365 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.610 -5.126 6.669 1.00 0.34 H new ATOM 713 N GLU A 46 12.955 -5.168 6.409 1.00 0.23 N ATOM 714 CA GLU A 46 11.545 -4.893 6.513 1.00 0.25 C ATOM 715 C GLU A 46 10.730 -5.934 5.756 1.00 0.25 C ATOM 716 O GLU A 46 9.574 -6.164 6.068 1.00 0.34 O ATOM 717 CB GLU A 46 11.251 -3.492 5.977 1.00 0.29 C ATOM 718 CG GLU A 46 11.962 -2.380 6.733 1.00 0.58 C ATOM 719 CD GLU A 46 11.468 -2.198 8.158 1.00 1.17 C ATOM 720 OE1 GLU A 46 11.801 -3.032 9.026 1.00 1.68 O ATOM 721 OE2 GLU A 46 10.758 -1.204 8.428 1.00 1.70 O ATOM 0 H GLU A 46 13.439 -4.586 5.725 1.00 0.23 H new ATOM 0 HA GLU A 46 11.258 -4.941 7.563 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.541 -3.447 4.927 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.176 -3.316 6.018 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.031 -2.592 6.753 1.00 0.58 H new ATOM 0 HG3 GLU A 46 11.833 -1.443 6.191 1.00 0.58 H new ATOM 728 N LEU A 47 11.324 -6.569 4.761 1.00 0.25 N ATOM 729 CA LEU A 47 10.594 -7.576 4.000 1.00 0.26 C ATOM 730 C LEU A 47 11.330 -8.893 3.971 1.00 0.28 C ATOM 731 O LEU A 47 11.213 -9.656 3.015 1.00 0.30 O ATOM 732 CB LEU A 47 10.341 -7.105 2.576 1.00 0.26 C ATOM 733 CG LEU A 47 9.484 -5.855 2.455 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.413 -5.418 1.008 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.093 -6.114 3.013 1.00 0.27 C ATOM 0 H LEU A 47 12.287 -6.413 4.463 1.00 0.25 H new ATOM 0 HA LEU A 47 9.639 -7.724 4.504 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.301 -6.917 2.096 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.860 -7.912 2.023 1.00 0.26 H new ATOM 0 HG LEU A 47 9.938 -5.052 3.036 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.797 -4.522 0.928 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.417 -5.202 0.643 1.00 0.32 H new ATOM 0 HD13 LEU A 47 8.973 -6.215 0.408 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.490 -5.211 2.920 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.622 -6.924 2.455 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.169 -6.393 4.064 1.00 0.27 H new ATOM 747 N ALA A 48 12.103 -9.153 5.011 1.00 0.32 N ATOM 748 CA ALA A 48 12.839 -10.396 5.117 1.00 0.36 C ATOM 749 C ALA A 48 11.897 -11.597 5.083 1.00 0.39 C ATOM 750 O ALA A 48 12.293 -12.698 4.694 1.00 0.44 O ATOM 751 CB ALA A 48 13.671 -10.383 6.379 1.00 0.41 C ATOM 0 H ALA A 48 12.236 -8.515 5.796 1.00 0.32 H new ATOM 0 HA ALA A 48 13.506 -10.489 4.260 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.225 -11.318 6.459 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.371 -9.548 6.345 1.00 0.41 H new ATOM 0 HB3 ALA A 48 13.018 -10.273 7.244 1.00 0.41 H new ATOM 757 N ALA A 49 10.648 -11.368 5.479 1.00 0.38 N ATOM 758 CA ALA A 49 9.598 -12.374 5.370 1.00 0.41 C ATOM 759 C ALA A 49 9.446 -12.829 3.926 1.00 0.41 C ATOM 760 O ALA A 49 9.326 -14.020 3.640 1.00 0.47 O ATOM 761 CB ALA A 49 8.282 -11.805 5.872 1.00 0.44 C ATOM 0 H ALA A 49 10.337 -10.484 5.882 1.00 0.38 H new ATOM 0 HA ALA A 49 9.874 -13.234 5.981 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.502 -12.562 5.787 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.388 -11.508 6.915 1.00 0.44 H new ATOM 0 HB3 ALA A 49 8.010 -10.936 5.274 1.00 0.44 H new ATOM 767 N PHE A 50 9.465 -11.864 3.026 1.00 0.36 N ATOM 768 CA PHE A 50 9.308 -12.115 1.605 1.00 0.37 C ATOM 769 C PHE A 50 10.645 -12.497 0.981 1.00 0.38 C ATOM 770 O PHE A 50 10.763 -13.509 0.294 1.00 0.44 O ATOM 771 CB PHE A 50 8.769 -10.852 0.936 1.00 0.35 C ATOM 772 CG PHE A 50 8.447 -11.012 -0.524 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.251 -11.589 -0.923 1.00 1.32 C ATOM 774 CD2 PHE A 50 9.332 -10.574 -1.498 1.00 1.63 C ATOM 775 CE1 PHE A 50 6.946 -11.727 -2.262 1.00 1.66 C ATOM 776 CE2 PHE A 50 9.032 -10.713 -2.839 1.00 2.09 C ATOM 777 CZ PHE A 50 7.838 -11.289 -3.221 1.00 1.80 C ATOM 0 H PHE A 50 9.590 -10.879 3.261 1.00 0.36 H new ATOM 0 HA PHE A 50 8.611 -12.940 1.460 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.869 -10.533 1.461 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.503 -10.054 1.048 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.550 -11.934 -0.177 1.00 1.32 H new ATOM 0 HD2 PHE A 50 10.266 -10.119 -1.204 1.00 1.63 H new ATOM 0 HE1 PHE A 50 6.010 -12.177 -2.560 1.00 1.66 H new ATOM 0 HE2 PHE A 50 9.731 -10.371 -3.588 1.00 2.09 H new ATOM 0 HZ PHE A 50 7.601 -11.397 -4.269 1.00 1.80 H new ATOM 787 N THR A 51 11.641 -11.670 1.254 1.00 0.36 N ATOM 788 CA THR A 51 12.970 -11.806 0.687 1.00 0.40 C ATOM 789 C THR A 51 13.570 -13.188 0.923 1.00 0.45 C ATOM 790 O THR A 51 14.007 -13.857 -0.013 1.00 0.54 O ATOM 791 CB THR A 51 13.890 -10.747 1.301 1.00 0.39 C ATOM 792 OG1 THR A 51 13.450 -9.444 0.911 1.00 0.39 O ATOM 793 CG2 THR A 51 15.337 -10.962 0.895 1.00 0.49 C ATOM 0 H THR A 51 11.546 -10.874 1.885 1.00 0.36 H new ATOM 0 HA THR A 51 12.881 -11.668 -0.391 1.00 0.40 H new ATOM 0 HB THR A 51 13.839 -10.837 2.386 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.249 -8.914 1.710 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.961 -10.192 1.349 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.668 -11.944 1.234 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.423 -10.905 -0.190 1.00 0.49 H new ATOM 801 N LYS A 52 13.576 -13.617 2.173 1.00 0.48 N ATOM 802 CA LYS A 52 14.231 -14.864 2.539 1.00 0.60 C ATOM 803 C LYS A 52 13.373 -16.060 2.163 1.00 0.69 C ATOM 804 O LYS A 52 13.795 -17.213 2.290 1.00 0.84 O ATOM 805 CB LYS A 52 14.536 -14.872 4.032 1.00 0.70 C ATOM 806 CG LYS A 52 15.491 -13.767 4.439 1.00 0.78 C ATOM 807 CD LYS A 52 15.696 -13.720 5.939 1.00 1.07 C ATOM 808 CE LYS A 52 16.724 -12.666 6.313 1.00 1.24 C ATOM 809 NZ LYS A 52 18.072 -13.002 5.789 1.00 1.82 N ATOM 0 H LYS A 52 13.137 -13.124 2.950 1.00 0.48 H new ATOM 0 HA LYS A 52 15.168 -14.938 1.986 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.605 -14.766 4.590 1.00 0.70 H new ATOM 0 HB3 LYS A 52 14.964 -15.836 4.306 1.00 0.70 H new ATOM 0 HG2 LYS A 52 16.451 -13.918 3.946 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.104 -12.808 4.096 1.00 0.78 H new ATOM 0 HD2 LYS A 52 14.749 -13.502 6.433 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.024 -14.696 6.296 1.00 1.07 H new ATOM 0 HE2 LYS A 52 16.412 -11.698 5.920 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.769 -12.570 7.398 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 18.788 -12.426 6.277 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 18.267 -14.010 5.954 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.107 -12.806 4.768 1.00 1.82 H new ATOM 902 N GLY A 58 18.754 -12.180 -4.948 1.00 0.67 N ATOM 903 CA GLY A 58 18.708 -11.760 -6.332 1.00 0.56 C ATOM 904 C GLY A 58 17.306 -11.383 -6.748 1.00 0.49 C ATOM 905 O GLY A 58 17.099 -10.732 -7.767 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.373 -10.909 -6.478 1.00 0.56 H new ATOM 0 HA3 GLY A 58 19.074 -12.564 -6.970 1.00 0.56 H new ATOM 909 N VAL A 59 16.344 -11.795 -5.943 1.00 0.52 N ATOM 910 CA VAL A 59 14.958 -11.436 -6.162 1.00 0.52 C ATOM 911 C VAL A 59 14.753 -9.945 -5.988 1.00 0.49 C ATOM 912 O VAL A 59 14.017 -9.329 -6.747 1.00 0.49 O ATOM 913 CB VAL A 59 14.015 -12.194 -5.206 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.437 -11.994 -3.758 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.578 -11.742 -5.403 1.00 0.66 C ATOM 0 H VAL A 59 16.501 -12.384 -5.125 1.00 0.52 H new ATOM 0 HA VAL A 59 14.715 -11.719 -7.186 1.00 0.52 H new ATOM 0 HB VAL A 59 14.081 -13.257 -5.439 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.757 -12.538 -3.102 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.451 -12.368 -3.620 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.405 -10.932 -3.513 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.928 -12.288 -4.720 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.502 -10.674 -5.201 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.272 -11.939 -6.430 1.00 0.66 H new ATOM 925 N LEU A 60 15.434 -9.368 -5.006 1.00 0.48 N ATOM 926 CA LEU A 60 15.315 -7.939 -4.736 1.00 0.46 C ATOM 927 C LEU A 60 15.779 -7.164 -5.951 1.00 0.43 C ATOM 928 O LEU A 60 15.350 -6.042 -6.204 1.00 0.41 O ATOM 929 CB LEU A 60 16.160 -7.531 -3.529 1.00 0.48 C ATOM 930 CG LEU A 60 16.134 -8.504 -2.349 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.940 -7.956 -1.177 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.705 -8.790 -1.937 1.00 0.52 C ATOM 0 H LEU A 60 16.073 -9.865 -4.385 1.00 0.48 H new ATOM 0 HA LEU A 60 14.271 -7.716 -4.516 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.193 -7.410 -3.855 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.819 -6.556 -3.181 1.00 0.48 H new ATOM 0 HG LEU A 60 16.596 -9.440 -2.662 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.907 -8.665 -0.350 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.975 -7.806 -1.485 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.515 -7.005 -0.857 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.701 -9.484 -1.096 1.00 0.52 H new ATOM 0 HD22 LEU A 60 14.218 -7.860 -1.643 1.00 0.52 H new ATOM 0 HD23 LEU A 60 14.166 -9.232 -2.775 1.00 0.52 H new ATOM 944 N ASP A 61 16.648 -7.807 -6.705 1.00 0.46 N ATOM 945 CA ASP A 61 17.198 -7.243 -7.928 1.00 0.46 C ATOM 946 C ASP A 61 16.125 -7.208 -8.999 1.00 0.47 C ATOM 947 O ASP A 61 16.016 -6.259 -9.776 1.00 0.51 O ATOM 948 CB ASP A 61 18.377 -8.093 -8.400 1.00 0.47 C ATOM 949 CG ASP A 61 19.262 -7.379 -9.404 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.971 -7.445 -10.614 1.00 1.19 O ATOM 951 OD2 ASP A 61 20.269 -6.765 -8.988 1.00 1.22 O ATOM 0 H ASP A 61 16.996 -8.741 -6.488 1.00 0.46 H new ATOM 0 HA ASP A 61 17.544 -6.228 -7.736 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.977 -8.382 -7.537 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.998 -9.012 -8.847 1.00 0.47 H new ATOM 956 N ARG A 62 15.319 -8.251 -8.998 1.00 0.47 N ATOM 957 CA ARG A 62 14.232 -8.394 -9.945 1.00 0.51 C ATOM 958 C ARG A 62 13.088 -7.468 -9.559 1.00 0.50 C ATOM 959 O ARG A 62 12.405 -6.913 -10.418 1.00 0.56 O ATOM 960 CB ARG A 62 13.771 -9.848 -9.965 1.00 0.55 C ATOM 961 CG ARG A 62 14.929 -10.829 -10.031 1.00 0.55 C ATOM 962 CD ARG A 62 14.457 -12.262 -9.936 1.00 0.62 C ATOM 963 NE ARG A 62 15.561 -13.209 -10.081 1.00 1.45 N ATOM 964 CZ ARG A 62 15.442 -14.523 -9.905 1.00 1.97 C ATOM 965 NH1 ARG A 62 14.275 -15.050 -9.566 1.00 1.66 N ATOM 966 NH2 ARG A 62 16.494 -15.311 -10.066 1.00 3.02 N ATOM 0 H ARG A 62 15.400 -9.025 -8.339 1.00 0.47 H new ATOM 0 HA ARG A 62 14.571 -8.119 -10.944 1.00 0.51 H new ATOM 0 HB2 ARG A 62 13.180 -10.050 -9.072 1.00 0.55 H new ATOM 0 HB3 ARG A 62 13.117 -10.006 -10.823 1.00 0.55 H new ATOM 0 HG2 ARG A 62 15.473 -10.687 -10.965 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.627 -10.622 -9.220 1.00 0.55 H new ATOM 0 HD2 ARG A 62 13.967 -12.420 -8.975 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.712 -12.451 -10.709 1.00 0.62 H new ATOM 0 HE ARG A 62 16.478 -12.841 -10.332 1.00 1.45 H new ATOM 0 HH11 ARG A 62 13.461 -14.448 -9.438 1.00 1.66 H new ATOM 0 HH12 ARG A 62 14.190 -16.058 -9.433 1.00 1.66 H new ATOM 0 HH21 ARG A 62 17.396 -14.911 -10.325 1.00 3.02 H new ATOM 0 HH22 ARG A 62 16.402 -16.318 -9.931 1.00 3.02 H new ATOM 980 N MET A 63 12.893 -7.300 -8.251 1.00 0.45 N ATOM 981 CA MET A 63 11.913 -6.349 -7.743 1.00 0.44 C ATOM 982 C MET A 63 12.338 -4.962 -8.160 1.00 0.41 C ATOM 983 O MET A 63 11.563 -4.207 -8.738 1.00 0.42 O ATOM 984 CB MET A 63 11.825 -6.365 -6.214 1.00 0.43 C ATOM 985 CG MET A 63 11.820 -7.743 -5.568 1.00 0.49 C ATOM 986 SD MET A 63 10.252 -8.627 -5.745 1.00 0.64 S ATOM 987 CE MET A 63 10.384 -9.297 -7.402 1.00 1.54 C ATOM 0 H MET A 63 13.401 -7.810 -7.528 1.00 0.45 H new ATOM 0 HA MET A 63 10.940 -6.627 -8.148 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.667 -5.799 -5.814 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.917 -5.840 -5.915 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.616 -8.343 -6.008 1.00 0.49 H new ATOM 0 HG3 MET A 63 12.049 -7.638 -4.508 1.00 0.49 H new ATOM 0 HE1 MET A 63 9.886 -10.266 -7.443 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.911 -8.615 -8.109 1.00 1.54 H new ATOM 0 HE3 MET A 63 11.435 -9.418 -7.663 1.00 1.54 H new ATOM 997 N MET A 64 13.600 -4.662 -7.870 1.00 0.41 N ATOM 998 CA MET A 64 14.182 -3.362 -8.142 1.00 0.42 C ATOM 999 C MET A 64 13.881 -2.915 -9.560 1.00 0.44 C ATOM 1000 O MET A 64 13.294 -1.868 -9.762 1.00 0.41 O ATOM 1001 CB MET A 64 15.694 -3.401 -7.934 1.00 0.55 C ATOM 1002 CG MET A 64 16.318 -2.024 -7.837 1.00 0.65 C ATOM 1003 SD MET A 64 15.831 -1.169 -6.332 1.00 1.87 S ATOM 1004 CE MET A 64 16.616 0.416 -6.575 1.00 2.41 C ATOM 0 H MET A 64 14.247 -5.321 -7.437 1.00 0.41 H new ATOM 0 HA MET A 64 13.738 -2.649 -7.447 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.915 -3.958 -7.023 1.00 0.55 H new ATOM 0 HB3 MET A 64 16.154 -3.944 -8.759 1.00 0.55 H new ATOM 0 HG2 MET A 64 17.404 -2.115 -7.867 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.024 -1.431 -8.703 1.00 0.65 H new ATOM 0 HE1 MET A 64 16.781 0.892 -5.609 1.00 2.41 H new ATOM 0 HE2 MET A 64 17.572 0.275 -7.079 1.00 2.41 H new ATOM 0 HE3 MET A 64 15.974 1.050 -7.187 1.00 2.41 H new ATOM 1014 N LYS A 65 14.247 -3.728 -10.539 1.00 0.52 N ATOM 1015 CA LYS A 65 14.078 -3.334 -11.935 1.00 0.56 C ATOM 1016 C LYS A 65 12.624 -3.386 -12.392 1.00 0.54 C ATOM 1017 O LYS A 65 12.254 -2.731 -13.369 1.00 0.60 O ATOM 1018 CB LYS A 65 14.976 -4.157 -12.859 1.00 0.66 C ATOM 1019 CG LYS A 65 16.378 -3.580 -12.975 1.00 0.79 C ATOM 1020 CD LYS A 65 16.347 -2.182 -13.583 1.00 0.86 C ATOM 1021 CE LYS A 65 17.700 -1.497 -13.517 1.00 1.57 C ATOM 1022 NZ LYS A 65 17.619 -0.084 -13.975 1.00 2.49 N ATOM 0 H LYS A 65 14.657 -4.651 -10.400 1.00 0.52 H new ATOM 0 HA LYS A 65 14.388 -2.291 -11.999 1.00 0.56 H new ATOM 0 HB2 LYS A 65 15.037 -5.179 -12.485 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.524 -4.207 -13.850 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.841 -3.541 -11.989 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.994 -4.235 -13.591 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.025 -2.247 -14.622 1.00 0.86 H new ATOM 0 HD3 LYS A 65 15.609 -1.576 -13.058 1.00 0.86 H new ATOM 0 HE2 LYS A 65 18.075 -1.528 -12.494 1.00 1.57 H new ATOM 0 HE3 LYS A 65 18.415 -2.040 -14.135 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 18.314 0.490 -13.456 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 17.823 -0.037 -14.994 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 16.663 0.285 -13.796 1.00 2.49 H new ATOM 1036 N LYS A 66 11.804 -4.160 -11.701 1.00 0.50 N ATOM 1037 CA LYS A 66 10.369 -4.169 -11.963 1.00 0.52 C ATOM 1038 C LYS A 66 9.758 -2.835 -11.547 1.00 0.48 C ATOM 1039 O LYS A 66 8.879 -2.290 -12.217 1.00 0.55 O ATOM 1040 CB LYS A 66 9.691 -5.299 -11.181 1.00 0.55 C ATOM 1041 CG LYS A 66 8.179 -5.333 -11.345 1.00 0.91 C ATOM 1042 CD LYS A 66 7.464 -5.429 -10.002 1.00 0.96 C ATOM 1043 CE LYS A 66 7.828 -6.694 -9.236 1.00 0.73 C ATOM 1044 NZ LYS A 66 7.389 -7.926 -9.945 1.00 1.47 N ATOM 0 H LYS A 66 12.103 -4.789 -10.956 1.00 0.50 H new ATOM 0 HA LYS A 66 10.213 -4.328 -13.030 1.00 0.52 H new ATOM 0 HB2 LYS A 66 10.105 -6.253 -11.506 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.931 -5.192 -10.123 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.850 -4.435 -11.868 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.900 -6.184 -11.966 1.00 0.91 H new ATOM 0 HD2 LYS A 66 7.715 -4.557 -9.397 1.00 0.96 H new ATOM 0 HD3 LYS A 66 6.387 -5.404 -10.165 1.00 0.96 H new ATOM 0 HE2 LYS A 66 8.907 -6.728 -9.086 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.370 -6.663 -8.248 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 7.550 -8.753 -9.336 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 6.376 -7.854 -10.171 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 7.933 -8.033 -10.825 1.00 1.47 H new ATOM 1058 N LEU A 67 10.248 -2.321 -10.434 1.00 0.41 N ATOM 1059 CA LEU A 67 9.695 -1.129 -9.817 1.00 0.39 C ATOM 1060 C LEU A 67 10.391 0.128 -10.304 1.00 0.40 C ATOM 1061 O LEU A 67 9.765 1.179 -10.394 1.00 0.46 O ATOM 1062 CB LEU A 67 9.852 -1.240 -8.317 1.00 0.34 C ATOM 1063 CG LEU A 67 9.361 -2.562 -7.727 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.848 -2.727 -6.303 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.845 -2.649 -7.792 1.00 0.37 C ATOM 0 H LEU A 67 11.042 -2.719 -9.932 1.00 0.41 H new ATOM 0 HA LEU A 67 8.643 -1.055 -10.091 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.904 -1.112 -8.064 1.00 0.34 H new ATOM 0 HB3 LEU A 67 9.308 -0.421 -7.845 1.00 0.34 H new ATOM 0 HG LEU A 67 9.774 -3.376 -8.323 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.487 -3.674 -5.902 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.938 -2.718 -6.288 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.470 -1.907 -5.692 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.516 -3.597 -7.367 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.409 -1.827 -7.225 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.521 -2.585 -8.831 1.00 0.37 H new ATOM 1077 N ASP A 68 11.695 0.007 -10.578 1.00 0.40 N ATOM 1078 CA ASP A 68 12.520 1.108 -11.093 1.00 0.42 C ATOM 1079 C ASP A 68 12.027 1.510 -12.471 1.00 0.52 C ATOM 1080 O ASP A 68 12.630 1.221 -13.507 1.00 0.56 O ATOM 1081 CB ASP A 68 13.999 0.683 -11.126 1.00 0.43 C ATOM 1082 CG ASP A 68 14.913 1.655 -11.858 1.00 0.46 C ATOM 1083 OD1 ASP A 68 15.004 2.831 -11.452 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.569 1.231 -12.841 1.00 1.13 O ATOM 0 H ASP A 68 12.212 -0.863 -10.448 1.00 0.40 H new ATOM 0 HA ASP A 68 12.435 1.973 -10.435 1.00 0.42 H new ATOM 0 HB2 ASP A 68 14.355 0.568 -10.102 1.00 0.43 H new ATOM 0 HB3 ASP A 68 14.073 -0.295 -11.601 1.00 0.43 H new ATOM 1089 N THR A 69 10.888 2.145 -12.452 1.00 0.59 N ATOM 1090 CA THR A 69 10.226 2.609 -13.638 1.00 0.74 C ATOM 1091 C THR A 69 10.811 3.956 -14.037 1.00 0.84 C ATOM 1092 O THR A 69 10.713 4.386 -15.187 1.00 0.99 O ATOM 1093 CB THR A 69 8.712 2.704 -13.371 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.977 2.640 -14.600 1.00 0.90 O ATOM 1095 CG2 THR A 69 8.369 3.990 -12.639 1.00 0.83 C ATOM 0 H THR A 69 10.383 2.359 -11.592 1.00 0.59 H new ATOM 0 HA THR A 69 10.379 1.912 -14.462 1.00 0.74 H new ATOM 0 HB THR A 69 8.433 1.858 -12.744 1.00 0.79 H new ATOM 0 HG1 THR A 69 7.017 2.700 -14.411 1.00 0.90 H new ATOM 0 HG21 THR A 69 7.294 4.033 -12.463 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.895 4.017 -11.685 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.672 4.845 -13.244 1.00 0.83 H new ATOM 1103 N ASN A 70 11.451 4.595 -13.065 1.00 0.80 N ATOM 1104 CA ASN A 70 12.156 5.847 -13.284 1.00 0.94 C ATOM 1105 C ASN A 70 13.457 5.565 -14.018 1.00 0.86 C ATOM 1106 O ASN A 70 14.089 6.455 -14.589 1.00 0.97 O ATOM 1107 CB ASN A 70 12.457 6.487 -11.929 1.00 1.01 C ATOM 1108 CG ASN A 70 12.686 7.986 -11.994 1.00 1.25 C ATOM 1109 OD1 ASN A 70 13.128 8.527 -13.007 1.00 1.46 O ATOM 1110 ND2 ASN A 70 12.394 8.669 -10.899 1.00 1.66 N ATOM 0 H ASN A 70 11.494 4.258 -12.103 1.00 0.80 H new ATOM 0 HA ASN A 70 11.545 6.524 -13.881 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.628 6.285 -11.251 1.00 1.01 H new ATOM 0 HB3 ASN A 70 13.341 6.013 -11.502 1.00 1.01 H new ATOM 0 HD21 ASN A 70 12.534 9.679 -10.876 1.00 1.66 H new ATOM 0 HD22 ASN A 70 12.029 8.185 -10.078 1.00 1.66 H new ATOM 1117 N SER A 71 13.817 4.283 -14.005 1.00 0.70 N ATOM 1118 CA SER A 71 15.009 3.776 -14.666 1.00 0.66 C ATOM 1119 C SER A 71 16.251 4.495 -14.168 1.00 0.61 C ATOM 1120 O SER A 71 17.208 4.713 -14.913 1.00 0.65 O ATOM 1121 CB SER A 71 14.870 3.903 -16.183 1.00 0.82 C ATOM 1122 OG SER A 71 13.671 3.285 -16.631 1.00 1.47 O ATOM 0 H SER A 71 13.279 3.560 -13.527 1.00 0.70 H new ATOM 0 HA SER A 71 15.118 2.719 -14.421 1.00 0.66 H new ATOM 0 HB2 SER A 71 14.870 4.956 -16.466 1.00 0.82 H new ATOM 0 HB3 SER A 71 15.728 3.441 -16.672 1.00 0.82 H new ATOM 0 HG SER A 71 13.599 3.378 -17.604 1.00 1.47 H new ATOM 1128 N ASP A 72 16.232 4.833 -12.893 1.00 0.58 N ATOM 1129 CA ASP A 72 17.302 5.601 -12.289 1.00 0.65 C ATOM 1130 C ASP A 72 18.165 4.693 -11.432 1.00 0.56 C ATOM 1131 O ASP A 72 19.306 5.017 -11.105 1.00 0.66 O ATOM 1132 CB ASP A 72 16.721 6.730 -11.435 1.00 0.80 C ATOM 1133 CG ASP A 72 17.773 7.717 -10.974 1.00 0.93 C ATOM 1134 OD1 ASP A 72 18.101 8.636 -11.750 1.00 1.56 O ATOM 1135 OD2 ASP A 72 18.260 7.590 -9.833 1.00 1.53 O ATOM 0 H ASP A 72 15.479 4.585 -12.251 1.00 0.58 H new ATOM 0 HA ASP A 72 17.916 6.037 -13.077 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.960 7.259 -12.009 1.00 0.80 H new ATOM 0 HB3 ASP A 72 16.224 6.302 -10.564 1.00 0.80 H new ATOM 1140 N GLY A 73 17.617 3.537 -11.092 1.00 0.45 N ATOM 1141 CA GLY A 73 18.322 2.613 -10.234 1.00 0.46 C ATOM 1142 C GLY A 73 17.946 2.833 -8.793 1.00 0.41 C ATOM 1143 O GLY A 73 18.666 2.433 -7.876 1.00 0.44 O ATOM 0 H GLY A 73 16.695 3.223 -11.396 1.00 0.45 H new ATOM 0 HA2 GLY A 73 18.088 1.589 -10.524 1.00 0.46 H new ATOM 0 HA3 GLY A 73 19.397 2.742 -10.358 1.00 0.46 H new ATOM 1147 N GLN A 74 16.817 3.495 -8.606 1.00 0.38 N ATOM 1148 CA GLN A 74 16.274 3.761 -7.292 1.00 0.37 C ATOM 1149 C GLN A 74 14.764 3.623 -7.363 1.00 0.36 C ATOM 1150 O GLN A 74 14.188 3.678 -8.446 1.00 0.39 O ATOM 1151 CB GLN A 74 16.625 5.169 -6.809 1.00 0.38 C ATOM 1152 CG GLN A 74 18.105 5.505 -6.830 1.00 0.42 C ATOM 1153 CD GLN A 74 18.423 6.801 -6.110 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.620 7.729 -6.088 1.00 1.03 O ATOM 1155 NE2 GLN A 74 19.597 6.864 -5.502 1.00 1.25 N ATOM 0 H GLN A 74 16.250 3.864 -9.369 1.00 0.38 H new ATOM 0 HA GLN A 74 16.704 3.049 -6.587 1.00 0.37 H new ATOM 0 HB2 GLN A 74 16.095 5.892 -7.429 1.00 0.38 H new ATOM 0 HB3 GLN A 74 16.255 5.290 -5.791 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.664 4.691 -6.368 1.00 0.42 H new ATOM 0 HG3 GLN A 74 18.442 5.577 -7.864 1.00 0.42 H new ATOM 0 HE21 GLN A 74 20.236 6.070 -5.544 1.00 1.25 H new ATOM 0 HE22 GLN A 74 19.862 7.706 -4.991 1.00 1.25 H new ATOM 1164 N LEU A 75 14.136 3.454 -6.220 1.00 0.33 N ATOM 1165 CA LEU A 75 12.694 3.304 -6.166 1.00 0.32 C ATOM 1166 C LEU A 75 12.062 4.444 -5.425 1.00 0.32 C ATOM 1167 O LEU A 75 12.239 4.602 -4.219 1.00 0.32 O ATOM 1168 CB LEU A 75 12.301 1.990 -5.516 1.00 0.31 C ATOM 1169 CG LEU A 75 12.850 0.760 -6.221 1.00 0.33 C ATOM 1170 CD1 LEU A 75 12.279 -0.498 -5.613 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.543 0.832 -7.703 1.00 0.35 C ATOM 0 H LEU A 75 14.600 3.417 -5.313 1.00 0.33 H new ATOM 0 HA LEU A 75 12.330 3.306 -7.193 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.649 1.989 -4.483 1.00 0.31 H new ATOM 0 HB3 LEU A 75 11.213 1.923 -5.486 1.00 0.31 H new ATOM 0 HG LEU A 75 13.932 0.733 -6.093 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.683 -1.368 -6.130 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.547 -0.546 -4.558 1.00 0.35 H new ATOM 0 HD13 LEU A 75 11.193 -0.489 -5.711 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.940 -0.053 -8.200 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.464 0.877 -7.849 1.00 0.35 H new ATOM 0 HD23 LEU A 75 13.004 1.724 -8.127 1.00 0.35 H new ATOM 1183 N ASP A 76 11.340 5.244 -6.163 1.00 0.35 N ATOM 1184 CA ASP A 76 10.702 6.411 -5.613 1.00 0.36 C ATOM 1185 C ASP A 76 9.340 6.034 -5.063 1.00 0.33 C ATOM 1186 O ASP A 76 8.985 4.857 -5.018 1.00 0.32 O ATOM 1187 CB ASP A 76 10.600 7.481 -6.693 1.00 0.44 C ATOM 1188 CG ASP A 76 10.695 8.893 -6.140 1.00 0.91 C ATOM 1189 OD1 ASP A 76 9.751 9.335 -5.448 1.00 1.45 O ATOM 1190 OD2 ASP A 76 11.707 9.574 -6.409 1.00 1.68 O ATOM 0 H ASP A 76 11.177 5.106 -7.160 1.00 0.35 H new ATOM 0 HA ASP A 76 11.292 6.815 -4.790 1.00 0.36 H new ATOM 0 HB2 ASP A 76 11.394 7.329 -7.424 1.00 0.44 H new ATOM 0 HB3 ASP A 76 9.654 7.367 -7.222 1.00 0.44 H new ATOM 1195 N PHE A 77 8.592 7.033 -4.657 1.00 0.41 N ATOM 1196 CA PHE A 77 7.356 6.842 -3.914 1.00 0.49 C ATOM 1197 C PHE A 77 6.406 5.823 -4.553 1.00 0.39 C ATOM 1198 O PHE A 77 6.055 4.829 -3.927 1.00 0.39 O ATOM 1199 CB PHE A 77 6.681 8.199 -3.693 1.00 0.72 C ATOM 1200 CG PHE A 77 6.170 8.920 -4.924 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.892 8.949 -6.109 1.00 2.66 C ATOM 1202 CD2 PHE A 77 4.961 9.596 -4.876 1.00 2.56 C ATOM 1203 CE1 PHE A 77 6.419 9.628 -7.213 1.00 3.77 C ATOM 1204 CE2 PHE A 77 4.483 10.276 -5.980 1.00 3.67 C ATOM 1205 CZ PHE A 77 5.212 10.291 -7.149 1.00 4.15 C ATOM 0 H PHE A 77 8.821 8.012 -4.832 1.00 0.41 H new ATOM 0 HA PHE A 77 7.616 6.408 -2.949 1.00 0.49 H new ATOM 0 HB2 PHE A 77 5.842 8.054 -3.013 1.00 0.72 H new ATOM 0 HB3 PHE A 77 7.392 8.853 -3.188 1.00 0.72 H new ATOM 0 HD1 PHE A 77 7.838 8.432 -6.168 1.00 2.66 H new ATOM 0 HD2 PHE A 77 4.384 9.591 -3.963 1.00 2.56 H new ATOM 0 HE1 PHE A 77 6.994 9.640 -8.127 1.00 3.77 H new ATOM 0 HE2 PHE A 77 3.538 10.796 -5.926 1.00 3.67 H new ATOM 0 HZ PHE A 77 4.839 10.821 -8.013 1.00 4.15 H new ATOM 1215 N SER A 78 6.018 6.047 -5.796 1.00 0.39 N ATOM 1216 CA SER A 78 5.083 5.164 -6.475 1.00 0.38 C ATOM 1217 C SER A 78 5.732 3.822 -6.797 1.00 0.38 C ATOM 1218 O SER A 78 5.056 2.803 -6.880 1.00 0.44 O ATOM 1219 CB SER A 78 4.578 5.827 -7.756 1.00 0.45 C ATOM 1220 OG SER A 78 3.528 5.080 -8.349 1.00 1.31 O ATOM 0 H SER A 78 6.337 6.836 -6.359 1.00 0.39 H new ATOM 0 HA SER A 78 4.240 4.980 -5.809 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.227 6.834 -7.532 1.00 0.45 H new ATOM 0 HB3 SER A 78 5.401 5.926 -8.464 1.00 0.45 H new ATOM 0 HG SER A 78 2.671 5.518 -8.165 1.00 1.31 H new ATOM 1226 N GLU A 79 7.046 3.821 -6.949 1.00 0.36 N ATOM 1227 CA GLU A 79 7.765 2.612 -7.324 1.00 0.42 C ATOM 1228 C GLU A 79 7.850 1.672 -6.127 1.00 0.33 C ATOM 1229 O GLU A 79 7.639 0.464 -6.241 1.00 0.33 O ATOM 1230 CB GLU A 79 9.152 2.988 -7.841 1.00 0.51 C ATOM 1231 CG GLU A 79 9.087 3.993 -8.980 1.00 0.64 C ATOM 1232 CD GLU A 79 10.447 4.453 -9.458 1.00 1.81 C ATOM 1233 OE1 GLU A 79 11.016 5.364 -8.832 1.00 2.54 O ATOM 1234 OE2 GLU A 79 10.932 3.929 -10.475 1.00 2.57 O ATOM 0 H GLU A 79 7.637 4.642 -6.819 1.00 0.36 H new ATOM 0 HA GLU A 79 7.233 2.092 -8.121 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.742 3.404 -7.024 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.667 2.089 -8.180 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.548 3.548 -9.816 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.512 4.861 -8.656 1.00 0.64 H new ATOM 1241 N PHE A 80 8.122 2.260 -4.974 1.00 0.28 N ATOM 1242 CA PHE A 80 8.103 1.553 -3.702 1.00 0.25 C ATOM 1243 C PHE A 80 6.705 1.018 -3.422 1.00 0.23 C ATOM 1244 O PHE A 80 6.535 -0.085 -2.910 1.00 0.26 O ATOM 1245 CB PHE A 80 8.533 2.524 -2.602 1.00 0.31 C ATOM 1246 CG PHE A 80 8.435 1.990 -1.203 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.445 1.208 -0.676 1.00 1.60 C ATOM 1248 CD2 PHE A 80 7.338 2.290 -0.408 1.00 1.26 C ATOM 1249 CE1 PHE A 80 9.363 0.732 0.617 1.00 1.98 C ATOM 1250 CE2 PHE A 80 7.254 1.816 0.885 1.00 1.56 C ATOM 1251 CZ PHE A 80 8.268 1.036 1.398 1.00 1.64 C ATOM 0 H PHE A 80 8.364 3.248 -4.893 1.00 0.28 H new ATOM 0 HA PHE A 80 8.789 0.707 -3.734 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.564 2.824 -2.788 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.921 3.423 -2.674 1.00 0.31 H new ATOM 0 HD1 PHE A 80 10.306 0.967 -1.281 1.00 1.60 H new ATOM 0 HD2 PHE A 80 6.541 2.901 -0.806 1.00 1.26 H new ATOM 0 HE1 PHE A 80 10.158 0.120 1.018 1.00 1.98 H new ATOM 0 HE2 PHE A 80 6.395 2.056 1.494 1.00 1.56 H new ATOM 0 HZ PHE A 80 8.205 0.664 2.410 1.00 1.64 H new ATOM 1261 N LEU A 81 5.707 1.804 -3.777 1.00 0.25 N ATOM 1262 CA LEU A 81 4.323 1.427 -3.545 1.00 0.26 C ATOM 1263 C LEU A 81 3.852 0.386 -4.538 1.00 0.26 C ATOM 1264 O LEU A 81 2.986 -0.430 -4.225 1.00 0.27 O ATOM 1265 CB LEU A 81 3.433 2.645 -3.622 1.00 0.29 C ATOM 1266 CG LEU A 81 3.711 3.699 -2.556 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.820 4.900 -2.775 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.534 3.113 -1.153 1.00 0.29 C ATOM 0 H LEU A 81 5.828 2.711 -4.229 1.00 0.25 H new ATOM 0 HA LEU A 81 4.263 0.992 -2.547 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.548 3.102 -4.605 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.394 2.326 -3.538 1.00 0.29 H new ATOM 0 HG LEU A 81 4.748 4.025 -2.641 1.00 0.28 H new ATOM 0 HD11 LEU A 81 3.024 5.649 -2.010 1.00 0.34 H new ATOM 0 HD12 LEU A 81 3.017 5.324 -3.760 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.776 4.594 -2.714 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.737 3.883 -0.409 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.511 2.755 -1.035 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.227 2.283 -1.015 1.00 0.29 H new ATOM 1280 N ASN A 82 4.415 0.417 -5.734 1.00 0.26 N ATOM 1281 CA ASN A 82 4.122 -0.602 -6.725 1.00 0.26 C ATOM 1282 C ASN A 82 4.545 -1.950 -6.175 1.00 0.23 C ATOM 1283 O ASN A 82 3.909 -2.979 -6.411 1.00 0.25 O ATOM 1284 CB ASN A 82 4.852 -0.319 -8.039 1.00 0.30 C ATOM 1285 CG ASN A 82 3.958 0.336 -9.078 1.00 0.79 C ATOM 1286 OD1 ASN A 82 3.328 -0.347 -9.885 1.00 1.51 O ATOM 1287 ND2 ASN A 82 3.888 1.657 -9.065 1.00 1.42 N ATOM 0 H ASN A 82 5.074 1.133 -6.040 1.00 0.26 H new ATOM 0 HA ASN A 82 3.052 -0.600 -6.933 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.707 0.327 -7.843 1.00 0.30 H new ATOM 0 HB3 ASN A 82 5.244 -1.253 -8.440 1.00 0.30 H new ATOM 0 HD21 ASN A 82 3.297 2.143 -9.739 1.00 1.42 H new ATOM 0 HD22 ASN A 82 4.425 2.189 -8.381 1.00 1.42 H new ATOM 1294 N LEU A 83 5.631 -1.913 -5.425 1.00 0.23 N ATOM 1295 CA LEU A 83 6.108 -3.064 -4.695 1.00 0.24 C ATOM 1296 C LEU A 83 5.105 -3.493 -3.642 1.00 0.23 C ATOM 1297 O LEU A 83 4.743 -4.661 -3.565 1.00 0.25 O ATOM 1298 CB LEU A 83 7.419 -2.728 -4.021 1.00 0.27 C ATOM 1299 CG LEU A 83 7.797 -3.664 -2.889 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.207 -5.025 -3.435 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.893 -3.051 -2.047 1.00 0.36 C ATOM 0 H LEU A 83 6.206 -1.079 -5.307 1.00 0.23 H new ATOM 0 HA LEU A 83 6.247 -3.883 -5.401 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.212 -2.742 -4.768 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.364 -1.711 -3.633 1.00 0.27 H new ATOM 0 HG LEU A 83 6.927 -3.814 -2.249 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.475 -5.683 -2.608 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.376 -5.460 -3.990 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.064 -4.908 -4.098 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.155 -3.733 -1.238 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.771 -2.870 -2.668 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.545 -2.107 -1.627 1.00 0.36 H new ATOM 1313 N ILE A 84 4.676 -2.538 -2.821 1.00 0.24 N ATOM 1314 CA ILE A 84 3.680 -2.802 -1.794 1.00 0.26 C ATOM 1315 C ILE A 84 2.436 -3.429 -2.414 1.00 0.27 C ATOM 1316 O ILE A 84 1.791 -4.278 -1.806 1.00 0.29 O ATOM 1317 CB ILE A 84 3.329 -1.510 -1.009 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.244 -1.366 0.213 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.868 -1.493 -0.570 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.717 -1.283 -0.117 1.00 0.62 C ATOM 0 H ILE A 84 5.005 -1.573 -2.850 1.00 0.24 H new ATOM 0 HA ILE A 84 4.100 -3.511 -1.080 1.00 0.26 H new ATOM 0 HB ILE A 84 3.485 -0.666 -1.681 1.00 0.29 H new ATOM 0 HG12 ILE A 84 3.956 -0.470 0.764 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.080 -2.215 0.877 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.663 -0.572 -0.024 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.224 -1.545 -1.448 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.672 -2.349 0.076 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.291 -1.183 0.804 1.00 0.62 H new ATOM 0 HD12 ILE A 84 6.024 -2.189 -0.639 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.899 -0.417 -0.754 1.00 0.62 H new ATOM 1332 N GLY A 85 2.137 -3.033 -3.644 1.00 0.26 N ATOM 1333 CA GLY A 85 1.069 -3.655 -4.386 1.00 0.29 C ATOM 1334 C GLY A 85 1.314 -5.136 -4.593 1.00 0.29 C ATOM 1335 O GLY A 85 0.443 -5.951 -4.312 1.00 0.33 O ATOM 0 H GLY A 85 2.622 -2.286 -4.141 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.128 -3.513 -3.855 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.966 -3.165 -5.354 1.00 0.29 H new ATOM 1339 N GLY A 86 2.519 -5.494 -5.038 1.00 0.28 N ATOM 1340 CA GLY A 86 2.818 -6.890 -5.314 1.00 0.31 C ATOM 1341 C GLY A 86 2.922 -7.693 -4.037 1.00 0.29 C ATOM 1342 O GLY A 86 2.478 -8.841 -3.964 1.00 0.35 O ATOM 0 H GLY A 86 3.288 -4.846 -5.211 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.039 -7.312 -5.949 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.754 -6.961 -5.868 1.00 0.31 H new ATOM 1346 N LEU A 87 3.500 -7.063 -3.032 1.00 0.25 N ATOM 1347 CA LEU A 87 3.625 -7.640 -1.706 1.00 0.25 C ATOM 1348 C LEU A 87 2.255 -7.949 -1.130 1.00 0.26 C ATOM 1349 O LEU A 87 1.950 -9.092 -0.785 1.00 0.29 O ATOM 1350 CB LEU A 87 4.328 -6.652 -0.788 1.00 0.25 C ATOM 1351 CG LEU A 87 5.832 -6.495 -0.982 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.318 -5.278 -0.217 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.565 -7.740 -0.506 1.00 0.35 C ATOM 0 H LEU A 87 3.900 -6.128 -3.113 1.00 0.25 H new ATOM 0 HA LEU A 87 4.201 -8.562 -1.782 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.863 -5.675 -0.919 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.147 -6.956 0.243 1.00 0.25 H new ATOM 0 HG LEU A 87 6.039 -6.361 -2.044 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.393 -5.166 -0.356 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.810 -4.388 -0.588 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.101 -5.404 0.844 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.637 -7.609 -0.652 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.360 -7.900 0.553 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.224 -8.604 -1.077 1.00 0.35 H new ATOM 1365 N ALA A 88 1.432 -6.912 -1.043 1.00 0.25 N ATOM 1366 CA ALA A 88 0.108 -7.025 -0.462 1.00 0.27 C ATOM 1367 C ALA A 88 -0.722 -8.033 -1.197 1.00 0.30 C ATOM 1368 O ALA A 88 -1.525 -8.735 -0.603 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.615 -5.704 -0.497 1.00 0.27 C ATOM 0 H ALA A 88 1.665 -5.975 -1.372 1.00 0.25 H new ATOM 0 HA ALA A 88 0.245 -7.344 0.571 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.605 -5.819 -0.055 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.049 -4.964 0.069 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.716 -5.372 -1.530 1.00 0.27 H new ATOM 1375 N MET A 89 -0.544 -8.076 -2.497 1.00 0.29 N ATOM 1376 CA MET A 89 -1.278 -8.999 -3.321 1.00 0.33 C ATOM 1377 C MET A 89 -0.916 -10.430 -2.983 1.00 0.34 C ATOM 1378 O MET A 89 -1.789 -11.291 -2.886 1.00 0.39 O ATOM 1379 CB MET A 89 -1.023 -8.704 -4.790 1.00 0.35 C ATOM 1380 CG MET A 89 -1.818 -7.515 -5.272 1.00 0.42 C ATOM 1381 SD MET A 89 -1.854 -7.378 -7.072 1.00 1.03 S ATOM 1382 CE MET A 89 -0.107 -7.255 -7.452 1.00 1.89 C ATOM 0 H MET A 89 0.107 -7.478 -3.006 1.00 0.29 H new ATOM 0 HA MET A 89 -2.342 -8.872 -3.123 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.040 -8.516 -4.943 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.281 -9.579 -5.386 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.839 -7.591 -4.898 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.391 -6.604 -4.852 1.00 0.42 H new ATOM 0 HE1 MET A 89 0.021 -7.058 -8.516 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.334 -6.441 -6.877 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.388 -8.191 -7.194 1.00 1.89 H new ATOM 1392 N ALA A 90 0.370 -10.658 -2.756 1.00 0.34 N ATOM 1393 CA ALA A 90 0.870 -11.981 -2.420 1.00 0.40 C ATOM 1394 C ALA A 90 0.346 -12.421 -1.060 1.00 0.42 C ATOM 1395 O ALA A 90 0.150 -13.604 -0.803 1.00 0.49 O ATOM 1396 CB ALA A 90 2.390 -11.987 -2.436 1.00 0.46 C ATOM 0 H ALA A 90 1.090 -9.937 -2.799 1.00 0.34 H new ATOM 0 HA ALA A 90 0.512 -12.689 -3.168 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.753 -12.983 -2.183 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.744 -11.714 -3.430 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.764 -11.268 -1.707 1.00 0.46 H new ATOM 1402 N CYS A 91 0.105 -11.449 -0.200 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.410 -11.713 1.129 1.00 0.47 C ATOM 1404 C CYS A 91 -1.922 -11.884 1.075 1.00 0.45 C ATOM 1405 O CYS A 91 -2.480 -12.777 1.704 1.00 0.51 O ATOM 1406 CB CYS A 91 -0.030 -10.568 2.070 1.00 0.55 C ATOM 1407 SG CYS A 91 1.744 -10.223 2.117 1.00 1.76 S ATOM 0 H CYS A 91 0.260 -10.461 -0.402 1.00 0.41 H new ATOM 0 HA CYS A 91 0.029 -12.635 1.509 1.00 0.47 H new ATOM 0 HB2 CYS A 91 -0.558 -9.666 1.762 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.371 -10.809 3.077 1.00 0.55 H new ATOM 0 HG CYS A 91 2.123 -9.741 0.971 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.569 -11.028 0.298 1.00 0.41 N ATOM 1414 CA HIS A 92 -4.004 -11.096 0.092 1.00 0.46 C ATOM 1415 C HIS A 92 -4.395 -12.465 -0.423 1.00 0.45 C ATOM 1416 O HIS A 92 -5.318 -13.085 0.101 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.466 -10.023 -0.902 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.927 -10.106 -1.235 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.421 -10.839 -2.297 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -7.007 -9.553 -0.634 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.735 -10.734 -2.331 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -8.115 -9.961 -1.333 1.00 2.62 N ATOM 0 H HIS A 92 -2.112 -10.268 -0.206 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.490 -10.917 1.051 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.251 -9.038 -0.487 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -3.886 -10.116 -1.820 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -5.856 -11.378 -2.953 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -6.998 -8.910 0.234 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.388 -11.201 -3.053 1.00 2.74 H new ATOM 1431 N ASP A 93 -3.696 -12.933 -1.448 1.00 0.45 N ATOM 1432 CA ASP A 93 -4.007 -14.219 -2.023 1.00 0.52 C ATOM 1433 C ASP A 93 -3.747 -15.320 -1.019 1.00 0.56 C ATOM 1434 O ASP A 93 -4.543 -16.238 -0.878 1.00 0.65 O ATOM 1435 CB ASP A 93 -3.241 -14.460 -3.325 1.00 0.54 C ATOM 1436 CG ASP A 93 -1.742 -14.681 -3.201 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -1.326 -15.745 -2.690 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -0.977 -13.828 -3.691 1.00 1.75 O ATOM 0 H ASP A 93 -2.919 -12.442 -1.890 1.00 0.45 H new ATOM 0 HA ASP A 93 -5.067 -14.226 -2.275 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -3.674 -15.330 -3.819 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -3.406 -13.605 -3.981 1.00 0.54 H new ATOM 1443 N SER A 94 -2.637 -15.201 -0.317 1.00 0.54 N ATOM 1444 CA SER A 94 -2.324 -16.088 0.805 1.00 0.60 C ATOM 1445 C SER A 94 -3.519 -16.228 1.737 1.00 0.63 C ATOM 1446 O SER A 94 -3.946 -17.334 2.037 1.00 0.70 O ATOM 1447 CB SER A 94 -1.140 -15.555 1.606 1.00 0.65 C ATOM 1448 OG SER A 94 0.052 -15.575 0.839 1.00 1.27 O ATOM 0 H SER A 94 -1.925 -14.494 -0.500 1.00 0.54 H new ATOM 0 HA SER A 94 -2.072 -17.062 0.386 1.00 0.60 H new ATOM 0 HB2 SER A 94 -1.348 -14.536 1.932 1.00 0.65 H new ATOM 0 HB3 SER A 94 -1.006 -16.156 2.505 1.00 0.65 H new ATOM 0 HG SER A 94 0.218 -14.683 0.469 1.00 1.27 H new ATOM 1454 N PHE A 95 -4.069 -15.099 2.166 1.00 0.60 N ATOM 1455 CA PHE A 95 -5.200 -15.098 3.080 1.00 0.66 C ATOM 1456 C PHE A 95 -6.410 -15.778 2.447 1.00 0.72 C ATOM 1457 O PHE A 95 -7.148 -16.494 3.104 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.555 -13.666 3.484 1.00 0.64 C ATOM 1459 CG PHE A 95 -4.658 -13.079 4.539 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -4.731 -13.517 5.850 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -3.747 -12.086 4.220 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -3.912 -12.976 6.822 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -2.927 -11.540 5.188 1.00 1.76 C ATOM 1464 CZ PHE A 95 -3.008 -11.986 6.490 1.00 2.08 C ATOM 0 H PHE A 95 -3.747 -14.170 1.893 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.917 -15.658 3.971 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -5.518 -13.032 2.598 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -6.583 -13.648 3.847 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -5.436 -14.290 6.116 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -3.677 -11.734 3.201 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -3.979 -13.327 7.841 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -2.223 -10.764 4.925 1.00 1.76 H new ATOM 0 HZ PHE A 95 -2.366 -11.562 7.248 1.00 2.08 H new ATOM 1737 N PRO B 7 5.253 -8.801 11.583 1.00 0.70 N ATOM 1738 CA PRO B 7 5.397 -7.940 10.405 1.00 0.54 C ATOM 1739 C PRO B 7 6.106 -6.632 10.723 1.00 0.45 C ATOM 1740 O PRO B 7 6.066 -6.139 11.853 1.00 0.57 O ATOM 1741 CB PRO B 7 3.948 -7.665 10.027 1.00 0.62 C ATOM 1742 CG PRO B 7 3.276 -7.604 11.343 1.00 0.75 C ATOM 1743 CD PRO B 7 3.883 -8.733 12.131 1.00 0.82 C ATOM 0 HA PRO B 7 5.996 -8.405 9.621 1.00 0.54 H new ATOM 0 HB2 PRO B 7 3.844 -6.731 9.475 1.00 0.62 H new ATOM 0 HB3 PRO B 7 3.536 -8.454 9.398 1.00 0.62 H new ATOM 0 HG2 PRO B 7 3.445 -6.644 11.831 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.197 -7.725 11.243 1.00 0.75 H new ATOM 0 HD2 PRO B 7 3.883 -8.527 13.201 1.00 0.82 H new ATOM 0 HD3 PRO B 7 3.341 -9.667 11.986 1.00 0.82 H new ATOM 1751 N THR B 8 6.754 -6.078 9.721 1.00 0.34 N ATOM 1752 CA THR B 8 7.412 -4.800 9.856 1.00 0.27 C ATOM 1753 C THR B 8 6.474 -3.680 9.452 1.00 0.28 C ATOM 1754 O THR B 8 5.314 -3.931 9.141 1.00 0.34 O ATOM 1755 CB THR B 8 8.657 -4.746 8.979 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.266 -4.663 7.606 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.508 -5.982 9.216 1.00 0.33 C ATOM 0 H THR B 8 6.838 -6.499 8.796 1.00 0.34 H new ATOM 0 HA THR B 8 7.699 -4.676 10.900 1.00 0.27 H new ATOM 0 HB THR B 8 9.247 -3.866 9.233 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.773 -5.317 7.081 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.397 -5.938 8.586 1.00 0.33 H new ATOM 0 HG22 THR B 8 9.807 -6.023 10.263 1.00 0.33 H new ATOM 0 HG23 THR B 8 8.932 -6.873 8.968 1.00 0.33 H new ATOM 1765 N GLU B 9 6.997 -2.463 9.431 1.00 0.28 N ATOM 1766 CA GLU B 9 6.227 -1.269 9.088 1.00 0.33 C ATOM 1767 C GLU B 9 5.409 -1.478 7.815 1.00 0.36 C ATOM 1768 O GLU B 9 4.204 -1.241 7.785 1.00 0.52 O ATOM 1769 CB GLU B 9 7.187 -0.101 8.878 1.00 0.40 C ATOM 1770 CG GLU B 9 6.514 1.252 8.850 1.00 0.56 C ATOM 1771 CD GLU B 9 6.135 1.738 10.232 1.00 1.73 C ATOM 1772 OE1 GLU B 9 7.045 2.120 11.002 1.00 2.48 O ATOM 1773 OE2 GLU B 9 4.935 1.742 10.560 1.00 2.47 O ATOM 0 H GLU B 9 7.974 -2.271 9.652 1.00 0.28 H new ATOM 0 HA GLU B 9 5.538 -1.059 9.906 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.931 -0.108 9.674 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.722 -0.248 7.940 1.00 0.40 H new ATOM 0 HG2 GLU B 9 7.181 1.977 8.384 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.620 1.197 8.230 1.00 0.56 H new ATOM 1780 N THR B 10 6.068 -1.949 6.773 1.00 0.26 N ATOM 1781 CA THR B 10 5.414 -2.149 5.493 1.00 0.27 C ATOM 1782 C THR B 10 4.544 -3.389 5.513 1.00 0.27 C ATOM 1783 O THR B 10 3.454 -3.386 4.956 1.00 0.31 O ATOM 1784 CB THR B 10 6.435 -2.231 4.333 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.871 -2.909 3.202 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.707 -2.932 4.784 1.00 0.26 C ATOM 0 H THR B 10 7.056 -2.200 6.788 1.00 0.26 H new ATOM 0 HA THR B 10 4.779 -1.280 5.321 1.00 0.27 H new ATOM 0 HB THR B 10 6.685 -1.213 4.035 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.533 -2.948 2.480 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.411 -2.979 3.953 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.155 -2.378 5.609 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.468 -3.943 5.114 1.00 0.26 H new ATOM 1794 N GLU B 11 4.995 -4.433 6.182 1.00 0.24 N ATOM 1795 CA GLU B 11 4.252 -5.678 6.193 1.00 0.27 C ATOM 1796 C GLU B 11 2.950 -5.521 6.962 1.00 0.30 C ATOM 1797 O GLU B 11 1.908 -6.019 6.544 1.00 0.32 O ATOM 1798 CB GLU B 11 5.090 -6.789 6.791 1.00 0.29 C ATOM 1799 CG GLU B 11 6.477 -6.845 6.199 1.00 0.41 C ATOM 1800 CD GLU B 11 7.278 -8.027 6.699 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.293 -8.252 7.927 1.00 1.85 O ATOM 1802 OE2 GLU B 11 7.916 -8.713 5.876 1.00 1.71 O ATOM 0 H GLU B 11 5.862 -4.445 6.719 1.00 0.24 H new ATOM 0 HA GLU B 11 4.011 -5.941 5.163 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.163 -6.645 7.869 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.590 -7.744 6.630 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.402 -6.895 5.113 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.008 -5.924 6.440 1.00 0.41 H new ATOM 1809 N ARG B 12 3.006 -4.798 8.072 1.00 0.35 N ATOM 1810 CA ARG B 12 1.809 -4.538 8.857 1.00 0.42 C ATOM 1811 C ARG B 12 0.906 -3.563 8.119 1.00 0.43 C ATOM 1812 O ARG B 12 -0.311 -3.596 8.270 1.00 0.47 O ATOM 1813 CB ARG B 12 2.150 -4.044 10.277 1.00 0.48 C ATOM 1814 CG ARG B 12 2.994 -2.774 10.366 1.00 0.49 C ATOM 1815 CD ARG B 12 2.196 -1.526 10.045 1.00 0.56 C ATOM 1816 NE ARG B 12 2.787 -0.333 10.643 1.00 1.08 N ATOM 1817 CZ ARG B 12 2.397 0.191 11.805 1.00 1.34 C ATOM 1818 NH1 ARG B 12 1.445 -0.394 12.521 1.00 1.86 N ATOM 1819 NH2 ARG B 12 2.976 1.289 12.262 1.00 1.95 N ATOM 0 H ARG B 12 3.860 -4.385 8.446 1.00 0.35 H new ATOM 0 HA ARG B 12 1.270 -5.477 8.982 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.217 -3.873 10.813 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.677 -4.842 10.800 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.411 -2.687 11.370 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.835 -2.851 9.677 1.00 0.49 H new ATOM 0 HD2 ARG B 12 2.139 -1.400 8.964 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.175 -1.645 10.406 1.00 0.56 H new ATOM 0 HE ARG B 12 3.545 0.128 10.141 1.00 1.08 H new ATOM 0 HH11 ARG B 12 1.006 -1.251 12.183 1.00 1.86 H new ATOM 0 HH12 ARG B 12 1.152 0.013 13.409 1.00 1.86 H new ATOM 0 HH21 ARG B 12 3.720 1.734 11.725 1.00 1.95 H new ATOM 0 HH22 ARG B 12 2.678 1.690 13.151 1.00 1.95 H new ATOM 1833 N CYS B 13 1.513 -2.713 7.296 1.00 0.42 N ATOM 1834 CA CYS B 13 0.755 -1.819 6.435 1.00 0.44 C ATOM 1835 C CYS B 13 -0.023 -2.652 5.448 1.00 0.30 C ATOM 1836 O CYS B 13 -1.188 -2.403 5.149 1.00 0.29 O ATOM 1837 CB CYS B 13 1.693 -0.880 5.666 1.00 0.57 C ATOM 1838 SG CYS B 13 1.434 -0.900 3.875 1.00 2.16 S ATOM 0 H CYS B 13 2.526 -2.627 7.209 1.00 0.42 H new ATOM 0 HA CYS B 13 0.085 -1.216 7.048 1.00 0.44 H new ATOM 0 HB2 CYS B 13 1.555 0.137 6.033 1.00 0.57 H new ATOM 0 HB3 CYS B 13 2.725 -1.158 5.878 1.00 0.57 H new ATOM 0 HG CYS B 13 2.417 -1.528 3.301 1.00 2.16 H new ATOM 1844 N ILE B 14 0.649 -3.662 4.968 1.00 0.26 N ATOM 1845 CA ILE B 14 0.121 -4.522 3.957 1.00 0.24 C ATOM 1846 C ILE B 14 -1.029 -5.370 4.485 1.00 0.21 C ATOM 1847 O ILE B 14 -2.050 -5.527 3.817 1.00 0.23 O ATOM 1848 CB ILE B 14 1.253 -5.397 3.410 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.176 -4.545 2.536 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.706 -6.581 2.647 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.479 -5.225 2.213 1.00 0.27 C ATOM 0 H ILE B 14 1.590 -3.910 5.275 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.288 -3.914 3.150 1.00 0.24 H new ATOM 0 HB ILE B 14 1.830 -5.796 4.244 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.662 -4.299 1.607 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.381 -3.603 3.045 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.532 -7.184 2.270 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.087 -7.186 3.309 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.104 -6.228 1.810 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.088 -4.569 1.591 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.013 -5.447 3.137 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.282 -6.153 1.677 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.892 -5.867 5.704 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.917 -6.710 6.282 1.00 0.28 C ATOM 1865 C GLU B 15 -3.074 -5.857 6.738 1.00 0.30 C ATOM 1866 O GLU B 15 -4.207 -6.321 6.817 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.384 -7.489 7.469 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.135 -8.298 7.167 1.00 0.32 C ATOM 1869 CD GLU B 15 0.363 -9.055 8.377 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.541 -8.429 9.441 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.580 -10.283 8.270 1.00 1.06 O ATOM 0 H GLU B 15 -0.086 -5.701 6.306 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.243 -7.416 5.518 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.166 -6.793 8.279 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.163 -8.162 7.828 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.346 -9.002 6.362 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.650 -7.631 6.810 1.00 0.32 H new ATOM 1878 N SER B 16 -2.781 -4.602 7.042 1.00 0.31 N ATOM 1879 CA SER B 16 -3.812 -3.689 7.464 1.00 0.37 C ATOM 1880 C SER B 16 -4.720 -3.374 6.286 1.00 0.28 C ATOM 1881 O SER B 16 -5.920 -3.159 6.449 1.00 0.28 O ATOM 1882 CB SER B 16 -3.204 -2.417 8.073 1.00 0.54 C ATOM 1883 OG SER B 16 -2.622 -1.577 7.097 1.00 0.97 O ATOM 0 H SER B 16 -1.843 -4.202 7.003 1.00 0.31 H new ATOM 0 HA SER B 16 -4.411 -4.157 8.246 1.00 0.37 H new ATOM 0 HB2 SER B 16 -3.979 -1.867 8.606 1.00 0.54 H new ATOM 0 HB3 SER B 16 -2.448 -2.695 8.807 1.00 0.54 H new ATOM 0 HG SER B 16 -2.186 -2.125 6.411 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.146 -3.397 5.091 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.922 -3.244 3.876 1.00 0.28 C ATOM 1891 C LEU B 17 -5.787 -4.468 3.674 1.00 0.27 C ATOM 1892 O LEU B 17 -6.919 -4.360 3.242 1.00 0.32 O ATOM 1893 CB LEU B 17 -4.004 -3.042 2.680 1.00 0.29 C ATOM 1894 CG LEU B 17 -3.075 -1.843 2.818 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -2.116 -1.748 1.645 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.890 -0.565 2.966 1.00 0.46 C ATOM 0 H LEU B 17 -3.145 -3.520 4.941 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.559 -2.365 3.968 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.404 -3.941 2.537 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.611 -2.919 1.783 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.473 -1.977 3.717 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.467 -0.882 1.775 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.509 -2.652 1.597 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.682 -1.642 0.720 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -3.217 0.287 3.064 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.519 -0.431 2.086 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.518 -0.635 3.854 1.00 0.46 H new ATOM 1908 N ILE B 18 -5.245 -5.630 4.007 1.00 0.27 N ATOM 1909 CA ILE B 18 -6.013 -6.863 3.995 1.00 0.30 C ATOM 1910 C ILE B 18 -7.167 -6.762 4.993 1.00 0.28 C ATOM 1911 O ILE B 18 -8.282 -7.190 4.710 1.00 0.30 O ATOM 1912 CB ILE B 18 -5.116 -8.099 4.307 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -4.472 -8.646 3.023 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.909 -9.202 4.992 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -3.572 -7.668 2.300 1.00 1.37 C ATOM 0 H ILE B 18 -4.272 -5.743 4.290 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.419 -7.005 2.994 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.331 -7.765 4.985 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -3.893 -9.535 3.274 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -5.263 -8.962 2.343 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.254 -10.049 5.195 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.319 -8.827 5.930 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.724 -9.522 4.342 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -3.163 -8.141 1.407 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -4.147 -6.788 2.013 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -2.756 -7.369 2.958 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.890 -6.159 6.143 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.896 -5.967 7.176 1.00 0.25 C ATOM 1929 C ALA B 19 -9.038 -5.079 6.684 1.00 0.23 C ATOM 1930 O ALA B 19 -10.197 -5.502 6.675 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.263 -5.372 8.426 1.00 0.28 C ATOM 0 H ALA B 19 -5.969 -5.793 6.383 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.314 -6.943 7.421 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.028 -5.234 9.190 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.493 -6.047 8.800 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.814 -4.409 8.183 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.710 -3.854 6.267 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.730 -2.918 5.800 1.00 0.22 C ATOM 1939 C VAL B 20 -10.388 -3.404 4.515 1.00 0.23 C ATOM 1940 O VAL B 20 -11.613 -3.336 4.377 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.189 -1.480 5.593 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.872 -1.484 4.839 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -10.209 -0.628 4.861 1.00 0.87 C ATOM 0 H VAL B 20 -7.757 -3.492 6.244 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.474 -2.879 6.595 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.010 -1.050 6.579 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.522 -0.459 4.712 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -7.132 -2.053 5.402 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -8.014 -1.943 3.861 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -9.812 0.378 4.725 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -10.420 -1.070 3.887 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -11.128 -0.579 5.445 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.589 -3.904 3.586 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.128 -4.390 2.322 1.00 0.25 C ATOM 1955 C PHE B 21 -11.174 -5.467 2.568 1.00 0.29 C ATOM 1956 O PHE B 21 -12.279 -5.394 2.051 1.00 0.35 O ATOM 1957 CB PHE B 21 -9.019 -4.951 1.431 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.517 -5.520 0.138 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.896 -4.687 -0.896 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -9.614 -6.889 -0.040 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -10.362 -5.204 -2.085 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -10.080 -7.412 -1.229 1.00 2.17 C ATOM 1963 CZ PHE B 21 -10.454 -6.569 -2.251 1.00 2.40 C ATOM 0 H PHE B 21 -8.576 -3.984 3.679 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.592 -3.545 1.813 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.301 -4.159 1.217 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.484 -5.727 1.977 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.826 -3.617 -0.771 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -9.322 -7.554 0.759 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -10.655 -4.541 -2.886 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -10.151 -8.482 -1.358 1.00 2.17 H new ATOM 0 HZ PHE B 21 -10.819 -6.977 -3.182 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.829 -6.436 3.397 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.659 -7.611 3.589 1.00 0.37 C ATOM 1975 C GLN B 22 -12.890 -7.331 4.441 1.00 0.36 C ATOM 1976 O GLN B 22 -13.877 -8.059 4.355 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.813 -8.735 4.181 1.00 0.47 C ATOM 1978 CG GLN B 22 -10.050 -9.511 3.122 1.00 1.11 C ATOM 1979 CD GLN B 22 -9.059 -10.495 3.705 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -8.001 -10.775 2.962 1.00 2.68 O flip ATOM 1981 NE2 GLN B 22 -9.243 -11.006 4.803 1.00 2.65 N flip ATOM 0 H GLN B 22 -9.973 -6.431 3.952 1.00 0.30 H new ATOM 0 HA GLN B 22 -12.039 -7.918 2.615 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -10.107 -8.315 4.897 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -11.458 -9.419 4.733 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -10.759 -10.049 2.493 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -9.520 -8.810 2.478 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -10.072 -10.764 5.346 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -8.567 -11.674 5.175 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.866 -6.278 5.245 1.00 0.35 N ATOM 1991 CA LYS B 23 -14.035 -5.962 6.050 1.00 0.39 C ATOM 1992 C LYS B 23 -15.083 -5.219 5.219 1.00 0.41 C ATOM 1993 O LYS B 23 -16.283 -5.412 5.408 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.653 -5.163 7.302 1.00 0.41 C ATOM 1995 CG LYS B 23 -13.000 -3.839 7.025 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.337 -3.304 8.274 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.238 -1.799 8.218 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.531 -1.217 9.390 1.00 0.91 N ATOM 0 H LYS B 23 -12.074 -5.645 5.356 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.473 -6.902 6.384 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.551 -4.993 7.896 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.978 -5.766 7.910 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.260 -3.951 6.233 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.744 -3.127 6.668 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.908 -3.604 9.153 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.342 -3.736 8.378 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.717 -1.509 7.306 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.241 -1.377 8.160 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.122 -0.297 9.127 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.204 -1.086 10.172 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.771 -1.860 9.692 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.629 -4.381 4.291 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.539 -3.632 3.431 1.00 0.39 C ATOM 2014 C TYR B 24 -15.928 -4.426 2.192 1.00 0.34 C ATOM 2015 O TYR B 24 -17.091 -4.449 1.803 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.927 -2.292 3.041 1.00 0.46 C ATOM 2017 CG TYR B 24 -14.966 -1.293 4.169 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.136 -0.610 4.471 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -13.849 -1.051 4.948 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -16.189 0.283 5.521 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -13.894 -0.156 5.996 1.00 1.83 C ATOM 2022 CZ TYR B 24 -15.064 0.506 6.281 1.00 1.71 C ATOM 2023 OH TYR B 24 -15.109 1.387 7.335 1.00 2.15 O ATOM 0 H TYR B 24 -13.640 -4.204 4.116 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.450 -3.448 4.000 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.894 -2.444 2.730 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.462 -1.887 2.182 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -17.020 -0.781 3.874 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -12.927 -1.571 4.732 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -17.108 0.804 5.745 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -13.011 0.024 6.592 1.00 1.83 H new ATOM 0 HH TYR B 24 -15.161 2.304 6.993 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.957 -5.076 1.574 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.219 -5.895 0.399 1.00 0.34 C ATOM 2035 C ALA B 25 -16.051 -7.105 0.782 1.00 0.47 C ATOM 2036 O ALA B 25 -16.855 -7.605 -0.005 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.913 -6.328 -0.246 1.00 0.37 C ATOM 0 H ALA B 25 -13.980 -5.054 1.865 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.779 -5.303 -0.325 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -14.125 -6.939 -1.123 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.346 -5.447 -0.547 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.329 -6.909 0.468 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.870 -7.548 2.019 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.602 -8.693 2.519 1.00 0.64 C ATOM 2045 C GLY B 26 -18.071 -8.390 2.751 1.00 0.76 C ATOM 2046 O GLY B 26 -18.867 -9.297 3.003 1.00 0.96 O ATOM 0 H GLY B 26 -15.224 -7.130 2.689 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -16.512 -9.515 1.809 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -16.152 -9.028 3.454 1.00 0.64 H new ATOM 2147 N THR B 33 -14.528 -8.626 -3.472 1.00 0.66 N ATOM 2148 CA THR B 33 -14.177 -7.403 -4.173 1.00 0.45 C ATOM 2149 C THR B 33 -15.038 -6.270 -3.627 1.00 0.37 C ATOM 2150 O THR B 33 -16.208 -6.470 -3.293 1.00 0.44 O ATOM 2151 CB THR B 33 -14.405 -7.612 -5.688 1.00 0.45 C ATOM 2152 OG1 THR B 33 -13.974 -8.927 -6.066 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.655 -6.602 -6.526 1.00 0.43 C ATOM 0 HA THR B 33 -13.129 -7.146 -4.020 1.00 0.45 H new ATOM 0 HB THR B 33 -15.472 -7.484 -5.871 1.00 0.45 H new ATOM 0 HG1 THR B 33 -13.004 -8.926 -6.203 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.847 -6.791 -7.582 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.990 -5.597 -6.270 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.586 -6.689 -6.331 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.458 -5.089 -3.533 1.00 0.32 N ATOM 2162 CA LEU B 34 -15.071 -3.979 -2.825 1.00 0.30 C ATOM 2163 C LEU B 34 -16.038 -3.254 -3.731 1.00 0.31 C ATOM 2164 O LEU B 34 -15.648 -2.473 -4.592 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.944 -3.054 -2.354 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.899 -2.768 -0.855 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.498 -2.371 -0.428 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.873 -1.669 -0.498 1.00 0.28 C ATOM 0 H LEU B 34 -13.550 -4.871 -3.944 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.641 -4.331 -1.965 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.992 -3.494 -2.649 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -14.034 -2.105 -2.883 1.00 0.29 H new ATOM 0 HG LEU B 34 -14.182 -3.679 -0.327 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.487 -2.171 0.644 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.805 -3.182 -0.653 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.194 -1.474 -0.967 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.828 -1.477 0.574 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.611 -0.760 -1.040 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.883 -1.975 -0.770 1.00 0.28 H new ATOM 2180 N SER B 35 -17.313 -3.525 -3.511 1.00 0.31 N ATOM 2181 CA SER B 35 -18.358 -3.033 -4.379 1.00 0.33 C ATOM 2182 C SER B 35 -18.563 -1.539 -4.190 1.00 0.32 C ATOM 2183 O SER B 35 -18.033 -0.950 -3.249 1.00 0.30 O ATOM 2184 CB SER B 35 -19.651 -3.813 -4.136 1.00 0.37 C ATOM 2185 OG SER B 35 -20.622 -3.526 -5.128 1.00 0.40 O ATOM 0 H SER B 35 -17.647 -4.089 -2.730 1.00 0.31 H new ATOM 0 HA SER B 35 -18.057 -3.188 -5.415 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.438 -4.882 -4.132 1.00 0.37 H new ATOM 0 HB3 SER B 35 -20.049 -3.564 -3.152 1.00 0.37 H new ATOM 0 HG SER B 35 -21.436 -4.040 -4.947 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.338 -0.944 -5.091 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.490 0.502 -5.165 1.00 0.42 C ATOM 2193 C LYS B 36 -19.802 1.106 -3.801 1.00 0.36 C ATOM 2194 O LYS B 36 -19.008 1.873 -3.265 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.593 0.864 -6.162 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.670 2.349 -6.475 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.407 2.833 -7.167 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.484 4.311 -7.513 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.525 4.596 -8.533 1.00 0.65 N ATOM 0 H LYS B 36 -19.878 -1.453 -5.791 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.542 0.918 -5.505 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.428 0.314 -7.089 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.553 0.535 -5.764 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.533 2.545 -7.111 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.820 2.910 -5.553 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.548 2.655 -6.521 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -19.247 2.255 -8.077 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.697 4.883 -6.610 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.515 4.647 -7.882 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.266 5.452 -9.064 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.599 3.791 -9.188 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.440 4.745 -8.063 1.00 0.65 H new ATOM 2213 N THR B 37 -20.931 0.724 -3.228 1.00 0.37 N ATOM 2214 CA THR B 37 -21.377 1.281 -1.961 1.00 0.38 C ATOM 2215 C THR B 37 -20.419 0.933 -0.823 1.00 0.36 C ATOM 2216 O THR B 37 -20.252 1.698 0.131 1.00 0.38 O ATOM 2217 CB THR B 37 -22.777 0.762 -1.616 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.672 1.026 -2.706 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.296 1.426 -0.351 1.00 0.49 C ATOM 0 H THR B 37 -21.560 0.025 -3.623 1.00 0.37 H new ATOM 0 HA THR B 37 -21.400 2.365 -2.074 1.00 0.38 H new ATOM 0 HB THR B 37 -22.719 -0.313 -1.445 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.566 0.692 -2.484 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.291 1.045 -0.122 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.623 1.205 0.478 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.346 2.505 -0.500 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.765 -0.207 -0.947 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.878 -0.693 0.097 1.00 0.33 C ATOM 2229 C GLU B 38 -17.593 0.112 0.067 1.00 0.33 C ATOM 2230 O GLU B 38 -16.912 0.274 1.079 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.586 -2.177 -0.106 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.761 -2.956 -0.687 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.970 -3.038 0.232 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -21.414 -1.997 0.763 1.00 2.16 O ATOM 2235 OE2 GLU B 38 -21.512 -4.146 0.394 1.00 1.96 O ATOM 0 H GLU B 38 -19.831 -0.816 -1.762 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.356 -0.573 1.069 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.727 -2.282 -0.769 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -18.306 -2.618 0.851 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -20.063 -2.490 -1.625 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.430 -3.967 -0.925 1.00 0.47 H new ATOM 2242 N PHE B 39 -17.283 0.625 -1.112 1.00 0.29 N ATOM 2243 CA PHE B 39 -16.127 1.470 -1.312 1.00 0.31 C ATOM 2244 C PHE B 39 -16.474 2.885 -0.903 1.00 0.28 C ATOM 2245 O PHE B 39 -15.628 3.634 -0.414 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.712 1.420 -2.781 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.455 2.173 -3.090 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -13.235 1.727 -2.619 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -14.495 3.322 -3.862 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -12.074 2.414 -2.909 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -13.340 4.012 -4.156 1.00 2.61 C ATOM 2252 CZ PHE B 39 -12.126 3.558 -3.679 1.00 2.87 C ATOM 0 H PHE B 39 -17.830 0.464 -1.957 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.293 1.120 -0.703 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -15.580 0.379 -3.074 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -16.522 1.822 -3.390 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -13.190 0.831 -2.017 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -15.442 3.681 -4.237 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -11.126 2.057 -2.534 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -13.383 4.907 -4.759 1.00 2.61 H new ATOM 0 HZ PHE B 39 -11.219 4.097 -3.908 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.735 3.235 -1.103 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.248 4.519 -0.679 1.00 0.37 C ATOM 2264 C LEU B 40 -18.145 4.632 0.832 1.00 0.40 C ATOM 2265 O LEU B 40 -17.620 5.613 1.353 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.702 4.686 -1.118 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.969 4.488 -2.614 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -21.312 5.082 -3.004 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.847 5.074 -3.453 1.00 0.46 C ATOM 0 H LEU B 40 -18.424 2.638 -1.561 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.656 5.307 -1.143 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.315 3.977 -0.561 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -20.035 5.685 -0.837 1.00 0.43 H new ATOM 0 HG LEU B 40 -20.003 3.417 -2.812 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -21.481 4.930 -4.070 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -22.104 4.593 -2.438 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -21.315 6.150 -2.785 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -19.064 4.919 -4.510 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.763 6.142 -3.253 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.908 4.582 -3.199 1.00 0.46 H new ATOM 2281 N SER B 41 -18.633 3.612 1.532 1.00 0.42 N ATOM 2282 CA SER B 41 -18.512 3.568 2.979 1.00 0.52 C ATOM 2283 C SER B 41 -17.040 3.556 3.382 1.00 0.45 C ATOM 2284 O SER B 41 -16.623 4.381 4.180 1.00 0.47 O ATOM 2285 CB SER B 41 -19.255 2.360 3.559 1.00 0.67 C ATOM 2286 OG SER B 41 -18.897 1.157 2.901 1.00 1.40 O ATOM 0 H SER B 41 -19.112 2.811 1.121 1.00 0.42 H new ATOM 0 HA SER B 41 -18.975 4.464 3.392 1.00 0.52 H new ATOM 0 HB2 SER B 41 -19.033 2.273 4.623 1.00 0.67 H new ATOM 0 HB3 SER B 41 -20.330 2.517 3.470 1.00 0.67 H new ATOM 0 HG SER B 41 -18.100 0.777 3.326 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.263 2.646 2.782 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.808 2.581 2.984 1.00 0.46 C ATOM 2294 C PHE B 42 -14.178 3.963 2.920 1.00 0.29 C ATOM 2295 O PHE B 42 -13.537 4.404 3.860 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.175 1.710 1.905 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.691 1.898 1.775 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.850 1.738 2.861 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -12.144 2.271 0.561 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -10.490 1.942 2.736 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -10.790 2.477 0.432 1.00 3.80 C ATOM 2302 CZ PHE B 42 -9.960 2.314 1.520 1.00 4.13 C ATOM 0 H PHE B 42 -16.622 1.936 2.145 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.630 2.156 3.972 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.382 0.663 2.127 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.646 1.932 0.948 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -12.261 1.450 3.817 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -12.788 2.402 -0.296 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -9.843 1.810 3.590 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -10.377 2.767 -0.523 1.00 3.80 H new ATOM 0 HZ PHE B 42 -8.897 2.477 1.420 1.00 4.13 H new ATOM 2312 N MET B 43 -14.348 4.636 1.804 1.00 0.26 N ATOM 2313 CA MET B 43 -13.706 5.925 1.620 1.00 0.29 C ATOM 2314 C MET B 43 -14.295 7.003 2.518 1.00 0.29 C ATOM 2315 O MET B 43 -13.593 7.917 2.919 1.00 0.37 O ATOM 2316 CB MET B 43 -13.769 6.378 0.175 1.00 0.38 C ATOM 2317 CG MET B 43 -12.891 5.563 -0.760 1.00 0.62 C ATOM 2318 SD MET B 43 -12.338 6.498 -2.201 1.00 1.22 S ATOM 2319 CE MET B 43 -11.248 7.701 -1.440 1.00 2.25 C ATOM 0 H MET B 43 -14.917 4.321 1.018 1.00 0.26 H new ATOM 0 HA MET B 43 -12.663 5.782 1.903 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.802 6.322 -0.169 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.471 7.425 0.118 1.00 0.38 H new ATOM 0 HG2 MET B 43 -12.021 5.204 -0.211 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.443 4.684 -1.094 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.643 8.704 -1.603 1.00 2.25 H new ATOM 0 HE2 MET B 43 -11.182 7.506 -0.370 1.00 2.25 H new ATOM 0 HE3 MET B 43 -10.256 7.625 -1.885 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.571 6.916 2.836 1.00 0.29 N ATOM 2330 CA ASN B 44 -16.181 7.924 3.695 1.00 0.33 C ATOM 2331 C ASN B 44 -15.829 7.695 5.159 1.00 0.32 C ATOM 2332 O ASN B 44 -15.990 8.591 5.986 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.695 7.943 3.549 1.00 0.42 C ATOM 2334 CG ASN B 44 -18.174 8.639 2.290 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.561 9.592 1.822 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -19.279 8.173 1.736 1.00 1.83 N ATOM 0 H ASN B 44 -16.199 6.176 2.523 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.780 8.886 3.375 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -18.065 6.918 3.551 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -18.129 8.440 4.417 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -19.649 8.608 0.891 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -19.763 7.378 2.153 1.00 1.83 H new ATOM 2343 N THR B 45 -15.372 6.497 5.485 1.00 0.27 N ATOM 2344 CA THR B 45 -15.011 6.172 6.860 1.00 0.29 C ATOM 2345 C THR B 45 -13.505 6.128 7.039 1.00 0.28 C ATOM 2346 O THR B 45 -12.925 6.899 7.808 1.00 0.34 O ATOM 2347 CB THR B 45 -15.591 4.812 7.291 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.248 3.807 6.332 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.101 4.888 7.445 1.00 0.34 C ATOM 0 H THR B 45 -15.242 5.734 4.821 1.00 0.27 H new ATOM 0 HA THR B 45 -15.432 6.960 7.484 1.00 0.29 H new ATOM 0 HB THR B 45 -15.161 4.549 8.258 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.712 3.988 5.488 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.485 3.915 7.750 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.353 5.631 8.202 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.550 5.173 6.494 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.887 5.224 6.307 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.475 4.951 6.426 1.00 0.25 C ATOM 2359 C GLU B 46 -10.652 6.006 5.701 1.00 0.25 C ATOM 2360 O GLU B 46 -9.496 6.228 6.026 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.170 3.562 5.864 1.00 0.29 C ATOM 2362 CG GLU B 46 -11.891 2.432 6.583 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.411 2.217 8.005 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -11.746 3.034 8.886 1.00 1.68 O ATOM 2365 OE2 GLU B 46 -10.706 1.215 8.257 1.00 1.70 O ATOM 0 H GLU B 46 -13.359 4.653 5.606 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.204 4.981 7.481 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.443 3.540 4.809 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.096 3.387 5.919 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -12.960 2.644 6.597 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.757 1.509 6.019 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.233 6.660 4.709 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.493 7.682 3.979 1.00 0.26 C ATOM 2374 C LEU B 47 -11.234 8.998 3.962 1.00 0.28 C ATOM 2375 O LEU B 47 -11.103 9.779 3.022 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.217 7.239 2.551 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.357 5.992 2.419 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.261 5.585 0.965 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.974 6.244 3.003 1.00 0.28 C ATOM 0 H LEU B 47 -12.191 6.509 4.394 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.546 7.822 4.500 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.169 7.060 2.052 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.728 8.057 2.021 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.819 5.177 2.977 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.644 4.691 0.877 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.259 5.376 0.579 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.811 6.394 0.390 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.367 5.344 2.903 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.497 7.065 2.467 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.066 6.504 4.058 1.00 0.28 H new ATOM 2391 N ALA B 48 -12.021 9.237 4.993 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.762 10.475 5.115 1.00 0.37 C ATOM 2393 C ALA B 48 -11.823 11.679 5.114 1.00 0.39 C ATOM 2394 O ALA B 48 -12.214 12.782 4.729 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.610 10.434 6.366 1.00 0.41 C ATOM 0 H ALA B 48 -12.163 8.584 5.763 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.419 10.584 4.252 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.168 11.366 6.458 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.307 9.598 6.306 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.967 10.308 7.237 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.582 11.447 5.530 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.534 12.458 5.457 1.00 0.41 C ATOM 2403 C ALA B 49 -9.360 12.941 4.023 1.00 0.41 C ATOM 2404 O ALA B 49 -9.243 14.138 3.761 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.224 11.883 5.968 1.00 0.44 C ATOM 0 H ALA B 49 -10.276 10.558 5.925 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.823 13.305 6.080 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.446 12.644 5.910 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.345 11.566 7.004 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.940 11.026 5.357 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.361 11.991 3.105 1.00 0.36 N ATOM 2412 CA PHE B 50 -9.183 12.269 1.689 1.00 0.37 C ATOM 2413 C PHE B 50 -10.510 12.660 1.054 1.00 0.38 C ATOM 2414 O PHE B 50 -10.621 13.689 0.389 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.633 11.021 1.003 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.285 11.212 -0.446 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -7.085 11.800 -0.812 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -9.152 10.792 -1.443 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -6.757 11.967 -2.144 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -8.831 10.957 -2.775 1.00 2.10 C ATOM 2421 CZ PHE B 50 -7.631 11.544 -3.127 1.00 1.80 C ATOM 0 H PHE B 50 -9.486 11.002 3.320 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.485 13.097 1.571 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.743 10.690 1.537 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.370 10.222 1.085 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.398 12.132 -0.047 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -10.090 10.330 -1.174 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -5.819 12.428 -2.416 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -9.517 10.628 -3.541 1.00 2.10 H new ATOM 0 HZ PHE B 50 -7.376 11.672 -4.169 1.00 1.80 H new ATOM 2431 N THR B 51 -11.507 11.826 1.294 1.00 0.36 N ATOM 2432 CA THR B 51 -12.828 11.972 0.709 1.00 0.40 C ATOM 2433 C THR B 51 -13.433 13.347 0.963 1.00 0.45 C ATOM 2434 O THR B 51 -13.852 14.040 0.032 1.00 0.53 O ATOM 2435 CB THR B 51 -13.754 10.899 1.290 1.00 0.39 C ATOM 2436 OG1 THR B 51 -13.307 9.604 0.881 1.00 0.39 O ATOM 2437 CG2 THR B 51 -15.196 11.121 0.867 1.00 0.49 C ATOM 0 H THR B 51 -11.420 11.017 1.909 1.00 0.36 H new ATOM 0 HA THR B 51 -12.724 11.857 -0.370 1.00 0.40 H new ATOM 0 HB THR B 51 -13.717 10.967 2.377 1.00 0.39 H new ATOM 0 HG1 THR B 51 -13.056 9.080 1.670 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.825 10.342 1.297 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.533 12.096 1.220 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.266 11.085 -0.220 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.461 13.749 2.223 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.121 14.987 2.606 1.00 0.60 C ATOM 2447 C LYS B 52 -13.259 16.189 2.265 1.00 0.69 C ATOM 2448 O LYS B 52 -13.680 17.337 2.411 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.448 14.966 4.094 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.409 13.853 4.464 1.00 0.78 C ATOM 2451 CD LYS B 52 -15.638 13.777 5.959 1.00 1.07 C ATOM 2452 CE LYS B 52 -16.669 12.715 6.299 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.012 13.058 5.768 1.00 1.82 N ATOM 0 H LYS B 52 -13.036 13.238 2.997 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.051 15.071 2.043 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.526 14.849 4.663 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -14.880 15.925 4.381 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -16.361 14.013 3.959 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.016 12.901 4.108 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -14.698 13.551 6.463 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -15.973 14.746 6.329 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -16.351 11.756 5.890 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.726 12.597 7.381 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -18.731 12.470 6.236 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -18.212 14.062 5.952 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.035 12.882 4.743 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.528 12.440 -5.001 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.462 12.048 -6.394 1.00 0.56 C ATOM 2548 C GLY B 58 -17.051 11.681 -6.796 1.00 0.49 C ATOM 2549 O GLY B 58 -16.825 11.053 -7.827 1.00 0.48 O ATOM 0 HA2 GLY B 58 -19.124 11.199 -6.567 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.820 12.864 -7.021 1.00 0.56 H new ATOM 2553 N VAL B 59 -16.100 12.080 -5.970 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.709 11.730 -6.174 1.00 0.52 C ATOM 2555 C VAL B 59 -14.503 10.237 -6.026 1.00 0.49 C ATOM 2556 O VAL B 59 -13.753 9.636 -6.785 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.783 12.471 -5.188 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.228 12.242 -3.752 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.341 12.027 -5.368 1.00 0.66 C ATOM 0 H VAL B 59 -16.271 12.653 -5.143 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.451 12.035 -7.188 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.848 13.538 -5.403 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.560 12.774 -3.075 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.245 12.612 -3.623 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.198 11.176 -3.527 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.705 12.562 -4.663 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.265 10.955 -5.185 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -12.018 12.245 -6.386 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.197 9.639 -5.066 1.00 0.48 N ATOM 2570 CA LEU B 60 -15.078 8.208 -4.820 1.00 0.46 C ATOM 2571 C LEU B 60 -15.521 7.454 -6.057 1.00 0.43 C ATOM 2572 O LEU B 60 -15.088 6.338 -6.326 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.941 7.774 -3.636 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.935 8.724 -2.437 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.757 8.153 -1.288 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.512 9.004 -1.999 1.00 0.52 C ATOM 0 H LEU B 60 -15.847 10.122 -4.446 1.00 0.48 H new ATOM 0 HA LEU B 60 -14.037 7.986 -4.586 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.969 7.657 -3.981 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.603 6.793 -3.302 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.395 9.665 -2.738 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.738 8.846 -0.447 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.787 8.007 -1.615 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.335 7.196 -0.979 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.521 9.681 -1.145 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -14.028 8.069 -1.716 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.962 9.463 -2.821 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.379 8.113 -6.813 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.907 7.571 -8.055 1.00 0.46 C ATOM 2590 C ASP B 61 -15.817 7.560 -9.107 1.00 0.47 C ATOM 2591 O ASP B 61 -15.693 6.627 -9.903 1.00 0.51 O ATOM 2592 CB ASP B 61 -18.079 8.427 -8.533 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.949 7.725 -9.556 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.656 7.821 -10.765 1.00 1.19 O ATOM 2595 OD2 ASP B 61 -19.937 7.081 -9.158 1.00 1.22 O ATOM 0 H ASP B 61 -16.732 9.042 -6.584 1.00 0.46 H new ATOM 0 HA ASP B 61 -17.254 6.552 -7.886 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.691 8.707 -7.675 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.694 9.351 -8.965 1.00 0.47 H new ATOM 2600 N ARG B 62 -15.015 8.605 -9.074 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.916 8.770 -10.001 1.00 0.51 C ATOM 2602 C ARG B 62 -12.774 7.842 -9.615 1.00 0.50 C ATOM 2603 O ARG B 62 -12.065 7.320 -10.475 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.458 10.223 -9.988 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.618 11.201 -10.053 1.00 0.55 C ATOM 2606 CD ARG B 62 -14.151 12.633 -9.923 1.00 0.62 C ATOM 2607 NE ARG B 62 -15.252 13.582 -10.063 1.00 1.45 N ATOM 2608 CZ ARG B 62 -15.135 14.890 -9.865 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -13.969 15.406 -9.497 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -16.185 15.683 -10.030 1.00 3.02 N ATOM 0 H ARG B 62 -15.108 9.366 -8.401 1.00 0.47 H new ATOM 0 HA ARG B 62 -14.242 8.514 -11.009 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.880 10.410 -9.083 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.792 10.398 -10.833 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -15.147 11.075 -10.998 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -15.328 10.976 -9.257 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -13.674 12.772 -8.953 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.396 12.839 -10.682 1.00 0.62 H new ATOM 0 HE ARG B 62 -16.167 13.218 -10.329 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -13.161 14.798 -9.366 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -13.881 16.411 -9.345 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -17.083 15.288 -10.309 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -16.094 16.687 -9.878 1.00 3.02 H new ATOM 2624 N MET B 63 -12.605 7.643 -8.310 1.00 0.45 N ATOM 2625 CA MET B 63 -11.630 6.682 -7.805 1.00 0.44 C ATOM 2626 C MET B 63 -12.046 5.303 -8.257 1.00 0.41 C ATOM 2627 O MET B 63 -11.261 4.563 -8.839 1.00 0.42 O ATOM 2628 CB MET B 63 -11.565 6.668 -6.276 1.00 0.43 C ATOM 2629 CG MET B 63 -11.574 8.033 -5.602 1.00 0.49 C ATOM 2630 SD MET B 63 -10.006 8.925 -5.737 1.00 0.63 S ATOM 2631 CE MET B 63 -10.114 9.625 -7.383 1.00 1.54 C ATOM 0 H MET B 63 -13.129 8.133 -7.585 1.00 0.45 H new ATOM 0 HA MET B 63 -10.651 6.969 -8.189 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.411 6.092 -5.900 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.660 6.140 -5.974 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.365 8.640 -6.042 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.819 7.905 -4.548 1.00 0.49 H new ATOM 0 HE1 MET B 63 -9.619 10.596 -7.399 1.00 1.54 H new ATOM 0 HE2 MET B 63 -9.627 8.958 -8.095 1.00 1.54 H new ATOM 0 HE3 MET B 63 -11.162 9.747 -7.658 1.00 1.54 H new ATOM 2641 N MET B 64 -13.311 4.994 -7.990 1.00 0.41 N ATOM 2642 CA MET B 64 -13.885 3.699 -8.297 1.00 0.42 C ATOM 2643 C MET B 64 -13.559 3.279 -9.718 1.00 0.44 C ATOM 2644 O MET B 64 -12.965 2.238 -9.930 1.00 0.41 O ATOM 2645 CB MET B 64 -15.400 3.731 -8.113 1.00 0.55 C ATOM 2646 CG MET B 64 -16.024 2.350 -8.056 1.00 0.65 C ATOM 2647 SD MET B 64 -15.562 1.468 -6.558 1.00 1.87 S ATOM 2648 CE MET B 64 -16.335 -0.115 -6.844 1.00 2.41 C ATOM 0 H MET B 64 -13.966 5.642 -7.552 1.00 0.41 H new ATOM 0 HA MET B 64 -13.451 2.973 -7.609 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.637 4.268 -7.194 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.848 4.291 -8.934 1.00 0.55 H new ATOM 0 HG2 MET B 64 -17.109 2.439 -8.105 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.712 1.774 -8.927 1.00 0.65 H new ATOM 0 HE1 MET B 64 -16.516 -0.609 -5.890 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.283 0.031 -7.363 1.00 2.41 H new ATOM 0 HE3 MET B 64 -15.679 -0.735 -7.455 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.912 4.110 -10.686 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.722 3.743 -12.087 1.00 0.56 C ATOM 2660 C LYS B 65 -12.260 3.808 -12.520 1.00 0.54 C ATOM 2661 O LYS B 65 -11.873 3.171 -13.498 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.609 4.581 -13.008 1.00 0.67 C ATOM 2663 CG LYS B 65 -16.010 4.005 -13.156 1.00 0.79 C ATOM 2664 CD LYS B 65 -15.964 2.620 -13.790 1.00 0.86 C ATOM 2665 CE LYS B 65 -17.316 1.929 -13.759 1.00 1.57 C ATOM 2666 NZ LYS B 65 -17.226 0.527 -14.251 1.00 2.49 N ATOM 0 H LYS B 65 -14.326 5.030 -10.535 1.00 0.52 H new ATOM 0 HA LYS B 65 -14.029 2.701 -12.177 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -14.677 5.596 -12.616 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -14.143 4.650 -13.991 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -16.489 3.946 -12.178 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.618 4.670 -13.769 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.626 2.706 -14.823 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -15.232 2.006 -13.265 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -17.704 1.934 -12.741 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -18.024 2.486 -14.373 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -18.001 -0.034 -13.844 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -17.299 0.518 -15.288 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -16.314 0.116 -13.965 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.454 4.573 -11.802 1.00 0.50 N ATOM 2681 CA LYS B 66 -10.016 4.589 -12.042 1.00 0.52 C ATOM 2682 C LYS B 66 -9.409 3.250 -11.641 1.00 0.48 C ATOM 2683 O LYS B 66 -8.516 2.720 -12.304 1.00 0.54 O ATOM 2684 CB LYS B 66 -9.353 5.703 -11.229 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.839 5.742 -11.370 1.00 0.91 C ATOM 2686 CD LYS B 66 -7.145 5.812 -10.014 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.519 7.063 -9.231 1.00 0.73 C ATOM 2688 NZ LYS B 66 -7.064 8.306 -9.911 1.00 1.47 N ATOM 0 H LYS B 66 -11.767 5.189 -11.051 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.845 4.768 -13.103 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.763 6.663 -11.542 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -9.608 5.575 -10.177 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -7.501 4.855 -11.906 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.552 6.606 -11.970 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -7.407 4.930 -9.430 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -6.065 5.788 -10.161 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -8.600 7.098 -9.099 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -7.078 7.013 -8.236 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -7.233 9.123 -9.290 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -6.048 8.235 -10.121 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -7.593 8.430 -10.798 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.917 2.712 -10.547 1.00 0.41 N ATOM 2703 CA LEU B 67 -9.371 1.511 -9.946 1.00 0.39 C ATOM 2704 C LEU B 67 -10.055 0.262 -10.469 1.00 0.40 C ATOM 2705 O LEU B 67 -9.421 -0.783 -10.570 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.550 1.591 -8.447 1.00 0.34 C ATOM 2707 CG LEU B 67 -9.070 2.901 -7.822 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.579 3.037 -6.402 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.554 2.991 -7.864 1.00 0.37 C ATOM 0 H LEU B 67 -10.721 3.097 -10.050 1.00 0.41 H new ATOM 0 HA LEU B 67 -8.314 1.446 -10.205 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.606 1.456 -8.212 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -9.012 0.764 -7.985 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.476 3.727 -8.407 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -9.225 3.976 -5.977 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.669 3.027 -6.404 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -9.210 2.205 -5.802 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -7.233 3.931 -7.414 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -7.124 2.157 -7.308 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -7.216 2.950 -8.899 1.00 0.37 H new ATOM 2721 N ASP B 68 -11.353 0.385 -10.760 1.00 0.39 N ATOM 2722 CA ASP B 68 -12.167 -0.709 -11.309 1.00 0.42 C ATOM 2723 C ASP B 68 -11.652 -1.084 -12.687 1.00 0.52 C ATOM 2724 O ASP B 68 -12.241 -0.778 -13.725 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.646 -0.288 -11.356 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.547 -1.248 -12.121 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.657 -2.427 -11.731 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -15.176 -0.810 -13.117 1.00 1.13 O ATOM 0 H ASP B 68 -11.874 1.251 -10.621 1.00 0.39 H new ATOM 0 HA ASP B 68 -12.089 -1.586 -10.666 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -14.018 -0.195 -10.336 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.716 0.699 -11.812 1.00 0.43 H new ATOM 2733 N THR B 69 -10.514 -1.719 -12.664 1.00 0.58 N ATOM 2734 CA THR B 69 -9.833 -2.156 -13.848 1.00 0.74 C ATOM 2735 C THR B 69 -10.403 -3.498 -14.281 1.00 0.83 C ATOM 2736 O THR B 69 -10.278 -3.911 -15.435 1.00 0.99 O ATOM 2737 CB THR B 69 -8.323 -2.251 -13.564 1.00 0.79 C ATOM 2738 OG1 THR B 69 -7.576 -2.161 -14.783 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.985 -3.552 -12.852 1.00 0.82 C ATOM 0 H THR B 69 -10.023 -1.952 -11.801 1.00 0.58 H new ATOM 0 HA THR B 69 -9.980 -1.442 -14.658 1.00 0.74 H new ATOM 0 HB THR B 69 -8.052 -1.417 -12.916 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.618 -2.222 -14.585 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.912 -3.595 -12.663 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.523 -3.599 -11.905 1.00 0.82 H new ATOM 0 HG23 THR B 69 -8.277 -4.396 -13.477 1.00 0.82 H new ATOM 2747 N ASN B 70 -11.056 -4.155 -13.331 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.755 -5.401 -13.584 1.00 0.94 C ATOM 2749 C ASN B 70 -13.043 -5.108 -14.336 1.00 0.86 C ATOM 2750 O ASN B 70 -13.659 -5.988 -14.937 1.00 0.98 O ATOM 2751 CB ASN B 70 -12.077 -6.066 -12.247 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.300 -7.563 -12.342 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -12.708 -8.092 -13.376 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -12.034 -8.261 -11.251 1.00 1.66 N ATOM 0 H ASN B 70 -11.114 -3.836 -12.364 1.00 0.80 H new ATOM 0 HA ASN B 70 -11.133 -6.066 -14.183 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -11.260 -5.874 -11.551 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.969 -5.602 -11.827 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -12.165 -9.272 -11.248 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -11.697 -7.788 -10.412 1.00 1.66 H new ATOM 2761 N SER B 71 -13.408 -3.826 -14.304 1.00 0.70 N ATOM 2762 CA SER B 71 -14.591 -3.310 -14.972 1.00 0.66 C ATOM 2763 C SER B 71 -15.838 -4.045 -14.507 1.00 0.61 C ATOM 2764 O SER B 71 -16.784 -4.251 -15.270 1.00 0.66 O ATOM 2765 CB SER B 71 -14.433 -3.408 -16.491 1.00 0.82 C ATOM 2766 OG SER B 71 -13.228 -2.782 -16.917 1.00 1.48 O ATOM 0 H SER B 71 -12.879 -3.111 -13.805 1.00 0.70 H new ATOM 0 HA SER B 71 -14.704 -2.259 -14.707 1.00 0.66 H new ATOM 0 HB2 SER B 71 -14.430 -4.455 -16.794 1.00 0.82 H new ATOM 0 HB3 SER B 71 -15.285 -2.937 -16.981 1.00 0.82 H new ATOM 0 HG SER B 71 -13.146 -2.858 -17.891 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.839 -4.406 -13.239 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.920 -5.186 -12.668 1.00 0.65 C ATOM 2774 C ASP B 72 -17.795 -4.295 -11.806 1.00 0.56 C ATOM 2775 O ASP B 72 -18.942 -4.626 -11.503 1.00 0.66 O ATOM 2776 CB ASP B 72 -16.353 -6.336 -11.832 1.00 0.80 C ATOM 2777 CG ASP B 72 -17.413 -7.335 -11.415 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -17.752 -8.216 -12.233 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -17.906 -7.253 -10.273 1.00 1.53 O ATOM 0 H ASP B 72 -15.097 -4.170 -12.580 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.523 -5.604 -13.474 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.581 -6.850 -12.405 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.872 -5.930 -10.942 1.00 0.80 H new ATOM 2784 N GLY B 73 -17.255 -3.146 -11.436 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.978 -2.239 -10.573 1.00 0.46 C ATOM 2786 C GLY B 73 -17.630 -2.491 -9.130 1.00 0.41 C ATOM 2787 O GLY B 73 -18.373 -2.123 -8.217 1.00 0.44 O ATOM 0 H GLY B 73 -16.329 -2.825 -11.718 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.738 -1.209 -10.836 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -19.051 -2.364 -10.721 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.499 -3.149 -8.936 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.975 -3.441 -7.619 1.00 0.37 C ATOM 2793 C GLN B 74 -14.465 -3.301 -7.664 1.00 0.36 C ATOM 2794 O GLN B 74 -13.870 -3.335 -8.738 1.00 0.39 O ATOM 2795 CB GLN B 74 -16.331 -4.862 -7.167 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.809 -5.201 -7.219 1.00 0.41 C ATOM 2797 CD GLN B 74 -18.139 -6.518 -6.540 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.336 -7.449 -6.530 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -19.325 -6.596 -5.955 1.00 1.25 N ATOM 0 H GLN B 74 -15.916 -3.497 -9.697 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.417 -2.743 -6.908 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.789 -5.572 -7.791 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.978 -5.001 -6.145 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -18.377 -4.401 -6.744 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -18.130 -5.245 -8.260 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -19.962 -5.800 -5.986 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -19.601 -7.452 -5.473 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.852 -3.152 -6.508 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.410 -3.000 -6.431 1.00 0.31 C ATOM 2810 C LEU B 75 -11.788 -4.152 -5.703 1.00 0.32 C ATOM 2811 O LEU B 75 -11.982 -4.334 -4.503 1.00 0.32 O ATOM 2812 CB LEU B 75 -12.031 -1.698 -5.749 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.573 -0.456 -6.438 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -12.013 0.791 -5.796 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -12.244 -0.498 -7.917 1.00 0.35 C ATOM 0 H LEU B 75 -14.329 -3.133 -5.606 1.00 0.33 H new ATOM 0 HA LEU B 75 -12.030 -2.982 -7.452 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.395 -1.719 -4.722 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.944 -1.629 -5.700 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.657 -0.434 -6.326 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.411 1.671 -6.301 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.297 0.817 -4.744 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.926 0.786 -5.879 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.636 0.396 -8.402 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -11.163 -0.537 -8.048 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.696 -1.383 -8.365 1.00 0.35 H new ATOM 2827 N ASP B 76 -11.055 -4.940 -6.446 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.423 -6.117 -5.909 1.00 0.36 C ATOM 2829 C ASP B 76 -9.072 -5.747 -5.329 1.00 0.33 C ATOM 2830 O ASP B 76 -8.721 -4.570 -5.251 1.00 0.32 O ATOM 2831 CB ASP B 76 -10.301 -7.167 -7.006 1.00 0.44 C ATOM 2832 CG ASP B 76 -10.404 -8.589 -6.478 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -9.462 -9.048 -5.795 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -11.420 -9.260 -6.761 1.00 1.68 O ATOM 0 H ASP B 76 -10.880 -4.784 -7.439 1.00 0.35 H new ATOM 0 HA ASP B 76 -11.026 -6.539 -5.105 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -11.083 -7.003 -7.748 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -9.346 -7.043 -7.516 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.326 -6.752 -4.932 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.103 -6.572 -4.166 1.00 0.49 C ATOM 2841 C PHE B 77 -6.144 -5.540 -4.772 1.00 0.39 C ATOM 2842 O PHE B 77 -5.805 -4.558 -4.118 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.429 -7.933 -3.962 1.00 0.72 C ATOM 2844 CG PHE B 77 -5.896 -8.629 -5.199 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.598 -8.631 -6.397 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -4.689 -9.307 -5.145 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -6.106 -9.287 -7.509 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -4.191 -9.963 -6.255 1.00 3.67 C ATOM 2849 CZ PHE B 77 -4.900 -9.953 -7.437 1.00 4.14 C ATOM 0 H PHE B 77 -8.548 -7.728 -5.131 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.378 -6.156 -3.197 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -5.602 -7.800 -3.265 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -7.147 -8.598 -3.482 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.543 -8.112 -6.461 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -4.129 -9.323 -4.222 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -6.665 -9.278 -8.433 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -3.246 -10.483 -6.196 1.00 3.67 H new ATOM 0 HZ PHE B 77 -4.512 -10.465 -8.305 1.00 4.14 H new ATOM 2859 N SER B 78 -5.736 -5.738 -6.011 1.00 0.38 N ATOM 2860 CA SER B 78 -4.794 -4.839 -6.656 1.00 0.38 C ATOM 2861 C SER B 78 -5.441 -3.491 -6.961 1.00 0.38 C ATOM 2862 O SER B 78 -4.765 -2.468 -7.011 1.00 0.44 O ATOM 2863 CB SER B 78 -4.267 -5.471 -7.943 1.00 0.44 C ATOM 2864 OG SER B 78 -3.211 -4.708 -8.501 1.00 1.32 O ATOM 0 H SER B 78 -6.043 -6.516 -6.594 1.00 0.38 H new ATOM 0 HA SER B 78 -3.963 -4.669 -5.972 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.917 -6.482 -7.736 1.00 0.44 H new ATOM 0 HB3 SER B 78 -5.078 -5.556 -8.667 1.00 0.44 H new ATOM 0 HG SER B 78 -2.357 -5.155 -8.325 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.752 -3.490 -7.135 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.469 -2.276 -7.497 1.00 0.42 C ATOM 2872 C GLU B 79 -7.576 -1.362 -6.283 1.00 0.33 C ATOM 2873 O GLU B 79 -7.372 -0.150 -6.372 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.845 -2.647 -8.043 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.762 -3.632 -9.200 1.00 0.64 C ATOM 2876 CD GLU B 79 -10.115 -4.075 -9.709 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.711 -4.978 -9.099 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -10.573 -3.534 -10.731 1.00 2.57 O ATOM 0 H GLU B 79 -7.342 -4.315 -7.032 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.927 -1.737 -8.274 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.446 -3.080 -7.243 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -9.358 -1.744 -8.374 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -8.206 -3.174 -10.018 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.197 -4.508 -8.882 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.864 -1.972 -5.146 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.864 -1.290 -3.861 1.00 0.25 C ATOM 2887 C PHE B 80 -6.473 -0.757 -3.549 1.00 0.23 C ATOM 2888 O PHE B 80 -6.312 0.334 -3.011 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.310 -2.282 -2.785 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.234 -1.774 -1.376 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -9.254 -1.005 -0.848 1.00 1.60 C ATOM 2892 CD2 PHE B 80 -7.151 -2.089 -0.572 1.00 1.26 C ATOM 2893 CE1 PHE B 80 -9.192 -0.555 0.453 1.00 1.98 C ATOM 2894 CE2 PHE B 80 -7.086 -1.642 0.732 1.00 1.56 C ATOM 2895 CZ PHE B 80 -8.109 -0.874 1.245 1.00 1.64 C ATOM 0 H PHE B 80 -8.106 -2.961 -5.087 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.551 -0.444 -3.889 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.338 -2.580 -2.992 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.696 -3.179 -2.864 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -10.107 -0.755 -1.461 1.00 1.60 H new ATOM 0 HD2 PHE B 80 -6.348 -2.691 -0.970 1.00 1.26 H new ATOM 0 HE1 PHE B 80 -9.993 0.049 0.853 1.00 1.98 H new ATOM 0 HE2 PHE B 80 -6.236 -1.893 1.349 1.00 1.56 H new ATOM 0 HZ PHE B 80 -8.063 -0.523 2.265 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.468 -1.535 -3.908 1.00 0.25 N ATOM 2906 CA LEU B 81 -4.090 -1.160 -3.646 1.00 0.26 C ATOM 2907 C LEU B 81 -3.603 -0.099 -4.610 1.00 0.26 C ATOM 2908 O LEU B 81 -2.742 0.711 -4.268 1.00 0.27 O ATOM 2909 CB LEU B 81 -3.195 -2.374 -3.732 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.487 -3.448 -2.689 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.592 -4.645 -2.918 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.331 -2.890 -1.273 1.00 0.29 C ATOM 0 H LEU B 81 -5.580 -2.431 -4.382 1.00 0.25 H new ATOM 0 HA LEU B 81 -4.050 -0.744 -2.639 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.293 -2.813 -4.725 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -2.158 -2.054 -3.626 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.522 -3.772 -2.795 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.806 -5.408 -2.169 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.775 -5.051 -3.913 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.549 -4.340 -2.837 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.544 -3.675 -0.547 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.310 -2.534 -1.133 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -4.027 -2.063 -1.129 1.00 0.29 H new ATOM 2924 N ASN B 82 -4.146 -0.108 -5.816 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.839 0.931 -6.781 1.00 0.26 C ATOM 2926 C ASN B 82 -4.272 2.268 -6.214 1.00 0.23 C ATOM 2927 O ASN B 82 -3.633 3.303 -6.421 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.550 0.673 -8.113 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.639 0.041 -9.153 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -3.004 0.742 -9.940 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -3.562 -1.280 -9.165 1.00 1.42 N ATOM 0 H ASN B 82 -4.798 -0.819 -6.148 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.766 0.934 -6.970 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.407 0.021 -7.942 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.939 1.615 -8.501 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -2.961 -1.750 -9.842 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -4.103 -1.829 -8.497 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.371 2.216 -5.482 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.862 3.351 -4.733 1.00 0.24 C ATOM 2940 C LEU B 83 -4.877 3.759 -3.656 1.00 0.23 C ATOM 2941 O LEU B 83 -4.521 4.927 -3.547 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.182 2.998 -4.086 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.581 3.910 -2.942 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -7.985 5.281 -3.466 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.687 3.279 -2.127 1.00 0.36 C ATOM 0 H LEU B 83 -5.948 1.380 -5.392 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.992 4.185 -5.423 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.964 3.024 -4.845 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.130 1.974 -3.717 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.721 4.048 -2.286 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.268 5.921 -2.630 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.146 5.729 -3.998 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.831 5.176 -4.145 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.962 3.946 -1.310 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.555 3.107 -2.763 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.342 2.329 -1.720 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.459 2.789 -2.848 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.480 3.036 -1.799 1.00 0.26 C ATOM 2959 C ILE B 84 -2.229 3.678 -2.388 1.00 0.27 C ATOM 2960 O ILE B 84 -1.593 4.513 -1.751 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.138 1.730 -1.035 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.071 1.559 0.168 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.683 1.708 -0.574 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.540 1.478 -0.185 1.00 0.62 C ATOM 0 H ILE B 84 -4.785 1.824 -2.901 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.913 3.729 -1.078 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.282 0.899 -1.725 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -3.789 0.653 0.705 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -3.920 2.395 0.851 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.484 0.777 -0.043 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.026 1.780 -1.441 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.499 2.552 0.091 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -6.127 1.358 0.726 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -5.843 2.393 -0.694 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.710 0.625 -0.842 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.910 3.307 -3.622 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.830 3.944 -4.334 1.00 0.29 C ATOM 2978 C GLY B 85 -1.075 5.428 -4.516 1.00 0.28 C ATOM 2979 O GLY B 85 -0.210 6.238 -4.202 1.00 0.32 O ATOM 0 H GLY B 85 -2.387 2.570 -4.142 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.103 3.793 -3.790 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.710 3.473 -5.310 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.273 5.793 -4.973 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.571 7.195 -5.225 1.00 0.30 C ATOM 2985 C GLY B 86 -2.695 7.971 -3.936 1.00 0.29 C ATOM 2986 O GLY B 86 -2.248 9.114 -3.828 1.00 0.34 O ATOM 0 H GLY B 86 -3.038 5.148 -5.172 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.784 7.631 -5.840 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.499 7.275 -5.791 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.290 7.320 -2.953 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.436 7.869 -1.617 1.00 0.25 C ATOM 2992 C LEU B 87 -2.077 8.170 -1.014 1.00 0.26 C ATOM 2993 O LEU B 87 -1.781 9.306 -0.641 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.152 6.859 -0.729 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.652 6.705 -0.948 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.147 5.473 -0.214 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.394 7.940 -0.459 1.00 0.35 C ATOM 0 H LEU B 87 -3.689 6.387 -3.060 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.013 8.792 -1.683 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.684 5.885 -0.874 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -3.986 7.141 0.311 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.844 6.592 -2.015 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.220 5.363 -0.371 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.632 4.591 -0.595 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -5.945 5.579 0.852 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.464 7.811 -0.624 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.205 8.080 0.605 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.045 8.815 -1.008 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.252 7.132 -0.934 1.00 0.25 N ATOM 3010 CA ALA B 88 0.063 7.236 -0.331 1.00 0.27 C ATOM 3011 C ALA B 88 0.902 8.261 -1.032 1.00 0.29 C ATOM 3012 O ALA B 88 1.694 8.951 -0.412 1.00 0.35 O ATOM 3013 CB ALA B 88 0.789 5.917 -0.382 1.00 0.26 C ATOM 0 H ALA B 88 -1.478 6.201 -1.285 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.090 7.534 0.706 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.772 6.025 0.077 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.216 5.165 0.160 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.906 5.606 -1.420 1.00 0.26 H new ATOM 3019 N MET B 89 0.741 8.329 -2.334 1.00 0.29 N ATOM 3020 CA MET B 89 1.486 9.269 -3.129 1.00 0.32 C ATOM 3021 C MET B 89 1.116 10.692 -2.770 1.00 0.34 C ATOM 3022 O MET B 89 1.988 11.550 -2.639 1.00 0.39 O ATOM 3023 CB MET B 89 1.258 9.001 -4.607 1.00 0.34 C ATOM 3024 CG MET B 89 2.064 7.821 -5.096 1.00 0.42 C ATOM 3025 SD MET B 89 2.127 7.712 -6.897 1.00 1.03 S ATOM 3026 CE MET B 89 0.386 7.597 -7.306 1.00 1.89 C ATOM 0 H MET B 89 0.097 7.741 -2.863 1.00 0.29 H new ATOM 0 HA MET B 89 2.547 9.140 -2.916 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.199 8.815 -4.783 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.526 9.887 -5.182 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.079 7.894 -4.706 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.634 6.903 -4.696 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.273 7.452 -8.380 1.00 1.89 H new ATOM 0 HE2 MET B 89 -0.057 6.753 -6.778 1.00 1.89 H new ATOM 0 HE3 MET B 89 -0.119 8.516 -7.009 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.174 10.915 -2.562 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.683 12.230 -2.207 1.00 0.39 C ATOM 3038 C ALA B 90 -0.179 12.644 -0.831 1.00 0.42 C ATOM 3039 O ALA B 90 0.014 13.824 -0.551 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.201 12.233 -2.247 1.00 0.46 C ATOM 0 H ALA B 90 -0.892 10.194 -2.634 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.317 12.954 -2.934 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.570 13.223 -1.979 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.539 11.979 -3.252 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.585 11.499 -1.539 1.00 0.46 H new ATOM 3046 N CYS B 91 0.048 11.657 0.016 1.00 0.41 N ATOM 3047 CA CYS B 91 0.542 11.896 1.359 1.00 0.47 C ATOM 3048 C CYS B 91 2.054 12.071 1.332 1.00 0.44 C ATOM 3049 O CYS B 91 2.600 12.954 1.987 1.00 0.51 O ATOM 3050 CB CYS B 91 0.150 10.731 2.273 1.00 0.55 C ATOM 3051 SG CYS B 91 -1.624 10.381 2.288 1.00 1.76 S ATOM 0 H CYS B 91 -0.104 10.673 -0.206 1.00 0.41 H new ATOM 0 HA CYS B 91 0.095 12.810 1.750 1.00 0.47 H new ATOM 0 HB2 CYS B 91 0.685 9.836 1.955 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.476 10.953 3.289 1.00 0.55 H new ATOM 0 HG CYS B 91 -1.985 9.921 1.127 1.00 1.76 H new ATOM 3057 N HIS B 92 2.717 11.230 0.550 1.00 0.41 N ATOM 3058 CA HIS B 92 4.154 11.306 0.368 1.00 0.46 C ATOM 3059 C HIS B 92 4.551 12.686 -0.113 1.00 0.45 C ATOM 3060 O HIS B 92 5.460 13.299 0.438 1.00 0.49 O ATOM 3061 CB HIS B 92 4.633 10.254 -0.639 1.00 0.54 C ATOM 3062 CG HIS B 92 6.098 10.342 -0.952 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.604 11.100 -1.989 1.00 2.12 N ATOM 3064 CD2 HIS B 92 7.169 9.771 -0.352 1.00 1.96 C ATOM 3065 CE1 HIS B 92 7.918 10.991 -2.013 1.00 2.74 C ATOM 3066 NE2 HIS B 92 8.283 10.191 -1.032 1.00 2.62 N ATOM 0 H HIS B 92 2.271 10.477 0.026 1.00 0.41 H new ATOM 0 HA HIS B 92 4.626 11.110 1.331 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.413 9.261 -0.246 1.00 0.54 H new ATOM 0 HB3 HIS B 92 4.066 10.364 -1.563 1.00 0.54 H new ATOM 0 HD1 HIS B 92 6.048 11.658 -2.637 1.00 2.12 H new ATOM 0 HD2 HIS B 92 7.149 9.109 0.501 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.581 11.474 -2.716 1.00 2.74 H new ATOM 3075 N ASP B 93 3.869 13.172 -1.143 1.00 0.45 N ATOM 3076 CA ASP B 93 4.187 14.469 -1.687 1.00 0.52 C ATOM 3077 C ASP B 93 3.907 15.549 -0.663 1.00 0.56 C ATOM 3078 O ASP B 93 4.698 16.464 -0.490 1.00 0.65 O ATOM 3079 CB ASP B 93 3.438 14.734 -2.997 1.00 0.54 C ATOM 3080 CG ASP B 93 1.941 14.959 -2.886 1.00 0.92 C ATOM 3081 OD1 ASP B 93 1.525 16.027 -2.380 1.00 1.48 O ATOM 3082 OD2 ASP B 93 1.176 14.110 -3.374 1.00 1.74 O ATOM 0 H ASP B 93 3.102 12.687 -1.608 1.00 0.45 H new ATOM 0 HA ASP B 93 5.251 14.485 -1.923 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.881 15.609 -3.472 1.00 0.54 H new ATOM 0 HB3 ASP B 93 3.608 13.889 -3.664 1.00 0.54 H new ATOM 3087 N SER B 94 2.786 15.413 0.016 1.00 0.54 N ATOM 3088 CA SER B 94 2.454 16.276 1.149 1.00 0.60 C ATOM 3089 C SER B 94 3.632 16.401 2.104 1.00 0.63 C ATOM 3090 O SER B 94 4.048 17.502 2.437 1.00 0.70 O ATOM 3091 CB SER B 94 1.256 15.730 1.918 1.00 0.65 C ATOM 3092 OG SER B 94 0.074 15.785 1.138 1.00 1.26 O ATOM 0 H SER B 94 2.079 14.709 -0.194 1.00 0.54 H new ATOM 0 HA SER B 94 2.210 17.258 0.744 1.00 0.60 H new ATOM 0 HB2 SER B 94 1.451 14.699 2.215 1.00 0.65 H new ATOM 0 HB3 SER B 94 1.117 16.304 2.834 1.00 0.65 H new ATOM 0 HG SER B 94 -0.125 14.894 0.783 1.00 1.26 H new ATOM 3098 N PHE B 95 4.180 15.266 2.519 1.00 0.60 N ATOM 3099 CA PHE B 95 5.295 15.250 3.451 1.00 0.67 C ATOM 3100 C PHE B 95 6.512 15.945 2.849 1.00 0.73 C ATOM 3101 O PHE B 95 7.237 16.648 3.533 1.00 0.84 O ATOM 3102 CB PHE B 95 5.646 13.810 3.833 1.00 0.64 C ATOM 3103 CG PHE B 95 4.732 13.203 4.862 1.00 0.78 C ATOM 3104 CD1 PHE B 95 4.780 13.620 6.182 1.00 1.80 C ATOM 3105 CD2 PHE B 95 3.831 12.213 4.511 1.00 1.29 C ATOM 3106 CE1 PHE B 95 3.947 13.060 7.131 1.00 2.35 C ATOM 3107 CE2 PHE B 95 2.995 11.649 5.455 1.00 1.76 C ATOM 3108 CZ PHE B 95 3.053 12.073 6.767 1.00 2.07 C ATOM 0 H PHE B 95 3.867 14.342 2.222 1.00 0.60 H new ATOM 0 HA PHE B 95 4.998 15.792 4.349 1.00 0.67 H new ATOM 0 HB2 PHE B 95 5.624 13.193 2.935 1.00 0.64 H new ATOM 0 HB3 PHE B 95 6.668 13.786 4.212 1.00 0.64 H new ATOM 0 HD1 PHE B 95 5.477 14.392 6.473 1.00 1.80 H new ATOM 0 HD2 PHE B 95 3.781 11.877 3.486 1.00 1.29 H new ATOM 0 HE1 PHE B 95 3.995 13.394 8.157 1.00 2.35 H new ATOM 0 HE2 PHE B 95 2.297 10.877 5.167 1.00 1.76 H new ATOM 0 HZ PHE B 95 2.401 11.634 7.507 1.00 2.07 H new