USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 MET CE :methyl 164:sc= -0.14 (180deg=-0.819) USER MOD Set 1.2: A 81 THR OG1 : rot 114:sc= -0.0155 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 HIS : no HE2:sc= -0.188 K(o=-0.19,f=-1.2) USER MOD Set 3.1: A 11 HIS : no HE2:sc= -1.17 K(o=-1.4,f=-8.2!) USER MOD Set 3.2: A 44 CYS SG : rot 8:sc= -0.234 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -32:sc= 1.26 USER MOD Single : A 16 SER OG : rot 173:sc= 0.955 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -110:sc= -1.08 (180deg=-2.18) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0244 (180deg=-0.254) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -26:sc= 0.151 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.213 USER MOD Single : A 36 CYS SG : rot 176:sc= -0.202 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc=-0.00979 (180deg=-0.113) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.204 K(o=0.2,f=-0.42) USER MOD Single : A 50 HIS : no HD1:sc=-0.00155 X(o=-0.0016,f=-0.0016) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -140:sc= -4.49! (180deg=-5.69!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 44:sc= 0.824 USER MOD Single : A 70 ASN : amide:sc= 0.247 X(o=0.25,f=-0.095) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.98) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.88 F(o=-3.3!,f=-0.88) USER MOD Single : A 80 SER OG : rot 83:sc= 1.21 USER MOD Single : A 83 LYS NZ :NH3+ -135:sc= 1.15 (180deg=0.445) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0826 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -124:sc= -0.0201 (180deg=-0.439) USER MOD Single : A 97 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.013) USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= 0.367 (180deg=0.16) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 15.336 -3.426 1.517 1.00 43.23 N ATOM 86 CA PHE A 7 14.187 -2.766 0.929 1.00 52.12 C ATOM 87 C PHE A 7 14.395 -1.266 0.832 1.00 10.50 C ATOM 88 O PHE A 7 14.410 -0.555 1.834 1.00 22.43 O ATOM 89 CB PHE A 7 12.912 -3.078 1.717 1.00 41.23 C ATOM 90 CG PHE A 7 13.115 -3.228 3.203 1.00 32.41 C ATOM 91 CD1 PHE A 7 13.538 -4.433 3.740 1.00 72.24 C ATOM 92 CD2 PHE A 7 12.875 -2.168 4.061 1.00 11.02 C ATOM 93 CE1 PHE A 7 13.717 -4.579 5.102 1.00 50.14 C ATOM 94 CE2 PHE A 7 13.051 -2.308 5.424 1.00 51.14 C ATOM 95 CZ PHE A 7 13.473 -3.515 5.946 1.00 31.51 C ATOM 0 HA PHE A 7 14.073 -3.155 -0.083 1.00 52.12 H new ATOM 0 HB2 PHE A 7 12.188 -2.283 1.541 1.00 41.23 H new ATOM 0 HB3 PHE A 7 12.476 -3.998 1.328 1.00 41.23 H new ATOM 0 HD1 PHE A 7 13.730 -5.270 3.085 1.00 72.24 H new ATOM 0 HD2 PHE A 7 12.546 -1.221 3.660 1.00 11.02 H new ATOM 0 HE1 PHE A 7 14.047 -5.525 5.506 1.00 50.14 H new ATOM 0 HE2 PHE A 7 12.859 -1.473 6.082 1.00 51.14 H new ATOM 0 HZ PHE A 7 13.612 -3.626 7.011 1.00 31.51 H new ATOM 105 N LYS A 8 14.590 -0.805 -0.390 1.00 54.03 N ATOM 106 CA LYS A 8 14.648 0.615 -0.680 1.00 2.05 C ATOM 107 C LYS A 8 13.279 1.104 -1.115 1.00 74.14 C ATOM 108 O LYS A 8 12.992 2.300 -1.105 1.00 41.20 O ATOM 109 CB LYS A 8 15.654 0.868 -1.796 1.00 1.34 C ATOM 110 CG LYS A 8 17.091 0.582 -1.407 1.00 73.34 C ATOM 111 CD LYS A 8 17.608 1.592 -0.397 1.00 71.34 C ATOM 112 CE LYS A 8 19.003 1.231 0.079 1.00 64.54 C ATOM 113 NZ LYS A 8 19.611 2.314 0.893 1.00 54.21 N ATOM 0 H LYS A 8 14.712 -1.403 -1.207 1.00 54.03 H new ATOM 0 HA LYS A 8 14.957 1.152 0.217 1.00 2.05 H new ATOM 0 HB2 LYS A 8 15.391 0.251 -2.655 1.00 1.34 H new ATOM 0 HB3 LYS A 8 15.574 1.907 -2.114 1.00 1.34 H new ATOM 0 HG2 LYS A 8 17.162 -0.422 -0.988 1.00 73.34 H new ATOM 0 HG3 LYS A 8 17.720 0.601 -2.297 1.00 73.34 H new ATOM 0 HD2 LYS A 8 17.620 2.585 -0.846 1.00 71.34 H new ATOM 0 HD3 LYS A 8 16.931 1.636 0.456 1.00 71.34 H new ATOM 0 HE2 LYS A 8 18.959 0.315 0.669 1.00 64.54 H new ATOM 0 HE3 LYS A 8 19.638 1.025 -0.783 1.00 64.54 H new ATOM 0 HZ1 LYS A 8 20.563 2.027 1.198 1.00 54.21 H new ATOM 0 HZ2 LYS A 8 19.677 3.181 0.323 1.00 54.21 H new ATOM 0 HZ3 LYS A 8 19.019 2.494 1.729 1.00 54.21 H new ATOM 127 N SER A 9 12.432 0.153 -1.471 1.00 24.13 N ATOM 128 CA SER A 9 11.157 0.462 -2.086 1.00 74.24 C ATOM 129 C SER A 9 10.015 0.343 -1.091 1.00 4.22 C ATOM 130 O SER A 9 10.038 -0.517 -0.211 1.00 4.33 O ATOM 131 CB SER A 9 10.924 -0.483 -3.257 1.00 23.21 C ATOM 132 OG SER A 9 12.044 -0.500 -4.119 1.00 42.21 O ATOM 0 H SER A 9 12.608 -0.844 -1.343 1.00 24.13 H new ATOM 0 HA SER A 9 11.185 1.494 -2.437 1.00 74.24 H new ATOM 0 HB2 SER A 9 10.730 -1.489 -2.885 1.00 23.21 H new ATOM 0 HB3 SER A 9 10.038 -0.172 -3.811 1.00 23.21 H new ATOM 0 HG SER A 9 12.475 0.380 -4.113 1.00 42.21 H new ATOM 138 N PHE A 10 9.013 1.205 -1.244 1.00 44.35 N ATOM 139 CA PHE A 10 7.825 1.165 -0.400 1.00 50.15 C ATOM 140 C PHE A 10 7.176 -0.215 -0.441 1.00 60.22 C ATOM 141 O PHE A 10 6.782 -0.752 0.590 1.00 10.10 O ATOM 142 CB PHE A 10 6.813 2.245 -0.829 1.00 1.32 C ATOM 143 CG PHE A 10 6.258 2.072 -2.221 1.00 4.33 C ATOM 144 CD1 PHE A 10 6.991 2.457 -3.331 1.00 53.21 C ATOM 145 CD2 PHE A 10 4.997 1.527 -2.414 1.00 61.45 C ATOM 146 CE1 PHE A 10 6.479 2.300 -4.606 1.00 44.24 C ATOM 147 CE2 PHE A 10 4.481 1.366 -3.685 1.00 50.41 C ATOM 148 CZ PHE A 10 5.223 1.753 -4.783 1.00 72.12 C ATOM 0 H PHE A 10 9.002 1.943 -1.949 1.00 44.35 H new ATOM 0 HA PHE A 10 8.135 1.369 0.625 1.00 50.15 H new ATOM 0 HB2 PHE A 10 5.985 2.249 -0.120 1.00 1.32 H new ATOM 0 HB3 PHE A 10 7.294 3.221 -0.763 1.00 1.32 H new ATOM 0 HD1 PHE A 10 7.974 2.885 -3.199 1.00 53.21 H new ATOM 0 HD2 PHE A 10 4.411 1.225 -1.559 1.00 61.45 H new ATOM 0 HE1 PHE A 10 7.061 2.605 -5.463 1.00 44.24 H new ATOM 0 HE2 PHE A 10 3.499 0.938 -3.820 1.00 50.41 H new ATOM 0 HZ PHE A 10 4.822 1.628 -5.778 1.00 72.12 H new ATOM 158 N HIS A 11 7.094 -0.800 -1.635 1.00 43.54 N ATOM 159 CA HIS A 11 6.459 -2.103 -1.797 1.00 12.01 C ATOM 160 C HIS A 11 7.249 -3.204 -1.098 1.00 15.33 C ATOM 161 O HIS A 11 6.672 -4.165 -0.599 1.00 32.13 O ATOM 162 CB HIS A 11 6.234 -2.453 -3.280 1.00 22.22 C ATOM 163 CG HIS A 11 7.401 -2.214 -4.204 1.00 62.11 C ATOM 164 ND1 HIS A 11 8.522 -3.019 -4.259 1.00 75.45 N ATOM 165 CD2 HIS A 11 7.589 -1.261 -5.151 1.00 44.24 C ATOM 166 CE1 HIS A 11 9.336 -2.574 -5.196 1.00 31.43 C ATOM 167 NE2 HIS A 11 8.795 -1.509 -5.753 1.00 62.22 N ATOM 0 H HIS A 11 7.457 -0.394 -2.498 1.00 43.54 H new ATOM 0 HA HIS A 11 5.481 -2.035 -1.321 1.00 12.01 H new ATOM 0 HB2 HIS A 11 5.955 -3.505 -3.345 1.00 22.22 H new ATOM 0 HB3 HIS A 11 5.385 -1.875 -3.644 1.00 22.22 H new ATOM 0 HD1 HIS A 11 8.694 -3.832 -3.667 1.00 75.45 H new ATOM 0 HD2 HIS A 11 6.912 -0.454 -5.387 1.00 44.24 H new ATOM 0 HE1 HIS A 11 10.288 -3.010 -5.463 1.00 31.43 H new ATOM 176 N ASP A 12 8.562 -3.057 -1.057 1.00 64.13 N ATOM 177 CA ASP A 12 9.414 -4.040 -0.399 1.00 5.53 C ATOM 178 C ASP A 12 9.428 -3.831 1.107 1.00 4.01 C ATOM 179 O ASP A 12 9.498 -4.793 1.869 1.00 73.32 O ATOM 180 CB ASP A 12 10.827 -4.003 -0.979 1.00 11.11 C ATOM 181 CG ASP A 12 10.934 -4.862 -2.222 1.00 62.34 C ATOM 182 OD1 ASP A 12 10.034 -4.774 -3.083 1.00 25.23 O ATOM 183 OD2 ASP A 12 11.890 -5.654 -2.329 1.00 0.43 O ATOM 0 H ASP A 12 9.063 -2.270 -1.469 1.00 64.13 H new ATOM 0 HA ASP A 12 9.000 -5.030 -0.588 1.00 5.53 H new ATOM 0 HB2 ASP A 12 11.097 -2.975 -1.221 1.00 11.11 H new ATOM 0 HB3 ASP A 12 11.539 -4.352 -0.231 1.00 11.11 H new ATOM 188 N PHE A 13 9.354 -2.575 1.533 1.00 75.35 N ATOM 189 CA PHE A 13 9.249 -2.260 2.953 1.00 63.42 C ATOM 190 C PHE A 13 7.991 -2.893 3.527 1.00 13.11 C ATOM 191 O PHE A 13 8.038 -3.567 4.559 1.00 33.32 O ATOM 192 CB PHE A 13 9.224 -0.742 3.176 1.00 65.22 C ATOM 193 CG PHE A 13 9.128 -0.344 4.627 1.00 4.24 C ATOM 194 CD1 PHE A 13 10.273 -0.157 5.383 1.00 32.00 C ATOM 195 CD2 PHE A 13 7.893 -0.154 5.231 1.00 62.13 C ATOM 196 CE1 PHE A 13 10.189 0.210 6.713 1.00 30.03 C ATOM 197 CE2 PHE A 13 7.804 0.213 6.559 1.00 12.33 C ATOM 198 CZ PHE A 13 8.954 0.396 7.302 1.00 42.45 C ATOM 0 H PHE A 13 9.365 -1.761 0.918 1.00 75.35 H new ATOM 0 HA PHE A 13 10.123 -2.664 3.464 1.00 63.42 H new ATOM 0 HB2 PHE A 13 10.127 -0.306 2.748 1.00 65.22 H new ATOM 0 HB3 PHE A 13 8.378 -0.318 2.635 1.00 65.22 H new ATOM 0 HD1 PHE A 13 11.242 -0.299 4.928 1.00 32.00 H new ATOM 0 HD2 PHE A 13 6.990 -0.295 4.655 1.00 62.13 H new ATOM 0 HE1 PHE A 13 11.090 0.351 7.292 1.00 30.03 H new ATOM 0 HE2 PHE A 13 6.836 0.357 7.016 1.00 12.33 H new ATOM 0 HZ PHE A 13 8.887 0.684 8.341 1.00 42.45 H new ATOM 208 N VAL A 14 6.870 -2.679 2.842 1.00 45.31 N ATOM 209 CA VAL A 14 5.599 -3.259 3.250 1.00 50.24 C ATOM 210 C VAL A 14 5.692 -4.780 3.297 1.00 32.13 C ATOM 211 O VAL A 14 5.250 -5.400 4.257 1.00 2.04 O ATOM 212 CB VAL A 14 4.449 -2.845 2.305 1.00 31.33 C ATOM 213 CG1 VAL A 14 3.143 -3.509 2.714 1.00 12.32 C ATOM 214 CG2 VAL A 14 4.286 -1.337 2.291 1.00 2.01 C ATOM 0 H VAL A 14 6.819 -2.106 2.000 1.00 45.31 H new ATOM 0 HA VAL A 14 5.379 -2.876 4.246 1.00 50.24 H new ATOM 0 HB VAL A 14 4.705 -3.179 1.300 1.00 31.33 H new ATOM 0 HG11 VAL A 14 2.349 -3.201 2.033 1.00 12.32 H new ATOM 0 HG12 VAL A 14 3.257 -4.592 2.672 1.00 12.32 H new ATOM 0 HG13 VAL A 14 2.885 -3.210 3.730 1.00 12.32 H new ATOM 0 HG21 VAL A 14 3.471 -1.065 1.620 1.00 2.01 H new ATOM 0 HG22 VAL A 14 4.059 -0.986 3.298 1.00 2.01 H new ATOM 0 HG23 VAL A 14 5.210 -0.874 1.945 1.00 2.01 H new ATOM 224 N ALA A 15 6.291 -5.368 2.266 1.00 53.12 N ATOM 225 CA ALA A 15 6.437 -6.817 2.179 1.00 12.31 C ATOM 226 C ALA A 15 7.273 -7.364 3.335 1.00 54.13 C ATOM 227 O ALA A 15 6.945 -8.400 3.913 1.00 54.13 O ATOM 228 CB ALA A 15 7.060 -7.202 0.845 1.00 13.13 C ATOM 0 H ALA A 15 6.685 -4.860 1.475 1.00 53.12 H new ATOM 0 HA ALA A 15 5.444 -7.260 2.249 1.00 12.31 H new ATOM 0 HB1 ALA A 15 7.164 -8.286 0.791 1.00 13.13 H new ATOM 0 HB2 ALA A 15 6.420 -6.858 0.032 1.00 13.13 H new ATOM 0 HB3 ALA A 15 8.042 -6.738 0.755 1.00 13.13 H new ATOM 234 N SER A 16 8.345 -6.659 3.678 1.00 32.12 N ATOM 235 CA SER A 16 9.228 -7.078 4.746 1.00 63.23 C ATOM 236 C SER A 16 8.534 -6.963 6.102 1.00 75.25 C ATOM 237 O SER A 16 8.611 -7.873 6.928 1.00 33.22 O ATOM 238 CB SER A 16 10.491 -6.225 4.711 1.00 50.42 C ATOM 239 OG SER A 16 11.575 -6.942 4.144 1.00 64.35 O ATOM 0 H SER A 16 8.620 -5.788 3.224 1.00 32.12 H new ATOM 0 HA SER A 16 9.495 -8.125 4.602 1.00 63.23 H new ATOM 0 HB2 SER A 16 10.307 -5.320 4.132 1.00 50.42 H new ATOM 0 HB3 SER A 16 10.749 -5.909 5.722 1.00 50.42 H new ATOM 0 HG SER A 16 12.340 -6.341 4.029 1.00 64.35 H new ATOM 245 N TYR A 17 7.842 -5.851 6.316 1.00 22.14 N ATOM 246 CA TYR A 17 7.073 -5.649 7.537 1.00 23.53 C ATOM 247 C TYR A 17 5.936 -6.665 7.606 1.00 10.14 C ATOM 248 O TYR A 17 5.569 -7.151 8.680 1.00 14.44 O ATOM 249 CB TYR A 17 6.516 -4.221 7.565 1.00 75.22 C ATOM 250 CG TYR A 17 5.732 -3.872 8.813 1.00 45.11 C ATOM 251 CD1 TYR A 17 6.377 -3.439 9.964 1.00 24.53 C ATOM 252 CD2 TYR A 17 4.344 -3.957 8.832 1.00 54.53 C ATOM 253 CE1 TYR A 17 5.664 -3.102 11.100 1.00 10.41 C ATOM 254 CE2 TYR A 17 3.625 -3.625 9.964 1.00 5.22 C ATOM 255 CZ TYR A 17 4.287 -3.198 11.093 1.00 32.03 C ATOM 256 OH TYR A 17 3.570 -2.859 12.219 1.00 45.32 O ATOM 0 H TYR A 17 7.798 -5.073 5.658 1.00 22.14 H new ATOM 0 HA TYR A 17 7.721 -5.791 8.402 1.00 23.53 H new ATOM 0 HB2 TYR A 17 7.345 -3.520 7.465 1.00 75.22 H new ATOM 0 HB3 TYR A 17 5.873 -4.079 6.697 1.00 75.22 H new ATOM 0 HD1 TYR A 17 7.454 -3.364 9.972 1.00 24.53 H new ATOM 0 HD2 TYR A 17 3.820 -4.288 7.948 1.00 54.53 H new ATOM 0 HE1 TYR A 17 6.181 -2.766 11.987 1.00 10.41 H new ATOM 0 HE2 TYR A 17 2.548 -3.700 9.963 1.00 5.22 H new ATOM 0 HH TYR A 17 2.613 -2.982 12.047 1.00 45.32 H new ATOM 266 N MET A 18 5.400 -6.990 6.441 1.00 51.23 N ATOM 267 CA MET A 18 4.299 -7.928 6.325 1.00 13.23 C ATOM 268 C MET A 18 4.756 -9.356 6.616 1.00 24.45 C ATOM 269 O MET A 18 3.952 -10.181 7.012 1.00 11.24 O ATOM 270 CB MET A 18 3.640 -7.827 4.946 1.00 20.22 C ATOM 271 CG MET A 18 2.295 -8.530 4.854 1.00 43.25 C ATOM 272 SD MET A 18 1.312 -7.975 3.443 1.00 3.44 S ATOM 273 CE MET A 18 1.051 -6.248 3.861 1.00 43.13 C ATOM 0 H MET A 18 5.717 -6.610 5.549 1.00 51.23 H new ATOM 0 HA MET A 18 3.553 -7.663 7.074 1.00 13.23 H new ATOM 0 HB2 MET A 18 3.507 -6.775 4.694 1.00 20.22 H new ATOM 0 HB3 MET A 18 4.313 -8.251 4.201 1.00 20.22 H new ATOM 0 HG2 MET A 18 2.456 -9.605 4.778 1.00 43.25 H new ATOM 0 HG3 MET A 18 1.735 -8.355 5.773 1.00 43.25 H new ATOM 0 HE1 MET A 18 0.004 -6.091 4.121 1.00 43.13 H new ATOM 0 HE2 MET A 18 1.680 -5.980 4.710 1.00 43.13 H new ATOM 0 HE3 MET A 18 1.310 -5.624 3.006 1.00 43.13 H new ATOM 283 N LYS A 19 6.034 -9.652 6.387 1.00 73.12 N ATOM 284 CA LYS A 19 6.589 -10.969 6.718 1.00 63.11 C ATOM 285 C LYS A 19 6.262 -11.367 8.159 1.00 5.43 C ATOM 286 O LYS A 19 5.796 -12.480 8.415 1.00 52.55 O ATOM 287 CB LYS A 19 8.106 -10.992 6.513 1.00 62.30 C ATOM 288 CG LYS A 19 8.535 -11.021 5.055 1.00 73.23 C ATOM 289 CD LYS A 19 7.989 -12.248 4.344 1.00 72.42 C ATOM 290 CE LYS A 19 8.603 -12.419 2.964 1.00 64.42 C ATOM 291 NZ LYS A 19 10.054 -12.736 3.035 1.00 5.41 N ATOM 0 H LYS A 19 6.705 -9.003 5.975 1.00 73.12 H new ATOM 0 HA LYS A 19 6.127 -11.690 6.044 1.00 63.11 H new ATOM 0 HB2 LYS A 19 8.540 -10.114 6.991 1.00 62.30 H new ATOM 0 HB3 LYS A 19 8.517 -11.866 7.019 1.00 62.30 H new ATOM 0 HG2 LYS A 19 8.184 -10.120 4.552 1.00 73.23 H new ATOM 0 HG3 LYS A 19 9.623 -11.016 4.994 1.00 73.23 H new ATOM 0 HD2 LYS A 19 8.190 -13.136 4.944 1.00 72.42 H new ATOM 0 HD3 LYS A 19 6.906 -12.164 4.252 1.00 72.42 H new ATOM 0 HE2 LYS A 19 8.083 -13.216 2.432 1.00 64.42 H new ATOM 0 HE3 LYS A 19 8.459 -11.505 2.388 1.00 64.42 H new ATOM 0 HZ1 LYS A 19 10.374 -13.107 2.117 1.00 5.41 H new ATOM 0 HZ2 LYS A 19 10.587 -11.873 3.264 1.00 5.41 H new ATOM 0 HZ3 LYS A 19 10.218 -13.450 3.773 1.00 5.41 H new ATOM 305 N THR A 20 6.503 -10.462 9.098 1.00 35.32 N ATOM 306 CA THR A 20 6.185 -10.712 10.499 1.00 43.00 C ATOM 307 C THR A 20 4.666 -10.735 10.702 1.00 3.12 C ATOM 308 O THR A 20 4.140 -11.493 11.516 1.00 23.43 O ATOM 309 CB THR A 20 6.825 -9.641 11.406 1.00 31.34 C ATOM 310 OG1 THR A 20 8.231 -9.559 11.132 1.00 42.14 O ATOM 311 CG2 THR A 20 6.613 -9.965 12.878 1.00 20.22 C ATOM 0 H THR A 20 6.918 -9.548 8.916 1.00 35.32 H new ATOM 0 HA THR A 20 6.594 -11.684 10.774 1.00 43.00 H new ATOM 0 HB THR A 20 6.346 -8.685 11.194 1.00 31.34 H new ATOM 0 HG1 THR A 20 8.637 -8.877 11.707 1.00 42.14 H new ATOM 0 HG21 THR A 20 7.076 -9.192 13.491 1.00 20.22 H new ATOM 0 HG22 THR A 20 5.545 -10.007 13.091 1.00 20.22 H new ATOM 0 HG23 THR A 20 7.066 -10.929 13.107 1.00 20.22 H new ATOM 319 N TYR A 21 3.972 -9.916 9.925 1.00 75.31 N ATOM 320 CA TYR A 21 2.513 -9.859 9.950 1.00 75.05 C ATOM 321 C TYR A 21 1.916 -11.167 9.421 1.00 5.14 C ATOM 322 O TYR A 21 0.849 -11.599 9.856 1.00 34.12 O ATOM 323 CB TYR A 21 2.050 -8.659 9.110 1.00 73.14 C ATOM 324 CG TYR A 21 0.551 -8.502 8.972 1.00 71.01 C ATOM 325 CD1 TYR A 21 -0.233 -8.107 10.048 1.00 12.51 C ATOM 326 CD2 TYR A 21 -0.077 -8.727 7.751 1.00 30.22 C ATOM 327 CE1 TYR A 21 -1.600 -7.941 9.913 1.00 2.25 C ATOM 328 CE2 TYR A 21 -1.443 -8.566 7.610 1.00 25.45 C ATOM 329 CZ TYR A 21 -2.199 -8.172 8.692 1.00 51.01 C ATOM 330 OH TYR A 21 -3.561 -8.003 8.556 1.00 43.54 O ATOM 0 H TYR A 21 4.401 -9.273 9.260 1.00 75.31 H new ATOM 0 HA TYR A 21 2.166 -9.733 10.975 1.00 75.05 H new ATOM 0 HB2 TYR A 21 2.454 -7.749 9.554 1.00 73.14 H new ATOM 0 HB3 TYR A 21 2.482 -8.747 8.113 1.00 73.14 H new ATOM 0 HD1 TYR A 21 0.232 -7.926 11.006 1.00 12.51 H new ATOM 0 HD2 TYR A 21 0.512 -9.033 6.899 1.00 30.22 H new ATOM 0 HE1 TYR A 21 -2.195 -7.632 10.760 1.00 2.25 H new ATOM 0 HE2 TYR A 21 -1.915 -8.748 6.656 1.00 25.45 H new ATOM 0 HH TYR A 21 -3.825 -8.204 7.634 1.00 43.54 H new ATOM 340 N SER A 22 2.639 -11.804 8.505 1.00 64.02 N ATOM 341 CA SER A 22 2.203 -13.044 7.876 1.00 12.24 C ATOM 342 C SER A 22 2.260 -14.210 8.859 1.00 22.11 C ATOM 343 O SER A 22 1.694 -15.271 8.603 1.00 3.25 O ATOM 344 CB SER A 22 3.065 -13.349 6.647 1.00 75.32 C ATOM 345 OG SER A 22 2.596 -14.498 5.955 1.00 14.40 O ATOM 0 H SER A 22 3.547 -11.473 8.178 1.00 64.02 H new ATOM 0 HA SER A 22 1.167 -12.915 7.561 1.00 12.24 H new ATOM 0 HB2 SER A 22 3.059 -12.491 5.975 1.00 75.32 H new ATOM 0 HB3 SER A 22 4.099 -13.505 6.956 1.00 75.32 H new ATOM 0 HG SER A 22 2.119 -15.084 6.579 1.00 14.40 H new ATOM 351 N ARG A 23 2.947 -14.016 9.981 1.00 53.31 N ATOM 352 CA ARG A 23 2.952 -15.011 11.044 1.00 62.31 C ATOM 353 C ARG A 23 1.541 -15.180 11.590 1.00 71.34 C ATOM 354 O ARG A 23 1.140 -16.268 12.000 1.00 64.32 O ATOM 355 CB ARG A 23 3.904 -14.596 12.170 1.00 45.32 C ATOM 356 CG ARG A 23 4.182 -15.708 13.165 1.00 64.13 C ATOM 357 CD ARG A 23 5.038 -15.221 14.321 1.00 63.22 C ATOM 358 NE ARG A 23 5.095 -16.200 15.403 1.00 45.03 N ATOM 359 CZ ARG A 23 5.255 -15.888 16.689 1.00 71.12 C ATOM 360 NH1 ARG A 23 5.433 -14.624 17.052 1.00 50.53 N ATOM 361 NH2 ARG A 23 5.250 -16.849 17.603 1.00 14.03 N ATOM 0 H ARG A 23 3.504 -13.184 10.175 1.00 53.31 H new ATOM 0 HA ARG A 23 3.299 -15.960 10.635 1.00 62.31 H new ATOM 0 HB2 ARG A 23 4.847 -14.264 11.735 1.00 45.32 H new ATOM 0 HB3 ARG A 23 3.479 -13.743 12.699 1.00 45.32 H new ATOM 0 HG2 ARG A 23 3.239 -16.098 13.548 1.00 64.13 H new ATOM 0 HG3 ARG A 23 4.686 -16.532 12.660 1.00 64.13 H new ATOM 0 HD2 ARG A 23 6.047 -15.014 13.964 1.00 63.22 H new ATOM 0 HD3 ARG A 23 4.636 -14.282 14.701 1.00 63.22 H new ATOM 0 HE ARG A 23 5.007 -17.186 15.159 1.00 45.03 H new ATOM 0 HH11 ARG A 23 5.448 -13.888 16.346 1.00 50.53 H new ATOM 0 HH12 ARG A 23 5.555 -14.389 18.037 1.00 50.53 H new ATOM 0 HH21 ARG A 23 5.124 -17.821 17.320 1.00 14.03 H new ATOM 0 HH22 ARG A 23 5.372 -16.616 18.589 1.00 14.03 H new ATOM 375 N ARG A 24 0.784 -14.092 11.560 1.00 12.34 N ATOM 376 CA ARG A 24 -0.587 -14.089 12.046 1.00 11.22 C ATOM 377 C ARG A 24 -1.562 -14.056 10.870 1.00 14.42 C ATOM 378 O ARG A 24 -2.758 -13.813 11.041 1.00 34.53 O ATOM 379 CB ARG A 24 -0.822 -12.873 12.947 1.00 2.54 C ATOM 380 CG ARG A 24 0.144 -12.769 14.121 1.00 13.41 C ATOM 381 CD ARG A 24 -0.085 -11.489 14.913 1.00 70.24 C ATOM 382 NE ARG A 24 0.903 -11.298 15.975 1.00 32.21 N ATOM 383 CZ ARG A 24 1.405 -10.108 16.312 1.00 23.53 C ATOM 384 NH1 ARG A 24 1.075 -9.019 15.620 1.00 24.43 N ATOM 385 NH2 ARG A 24 2.242 -10.005 17.333 1.00 70.14 N ATOM 0 H ARG A 24 1.101 -13.192 11.200 1.00 12.34 H new ATOM 0 HA ARG A 24 -0.756 -14.999 12.622 1.00 11.22 H new ATOM 0 HB2 ARG A 24 -0.743 -11.968 12.345 1.00 2.54 H new ATOM 0 HB3 ARG A 24 -1.841 -12.912 13.332 1.00 2.54 H new ATOM 0 HG2 ARG A 24 0.019 -13.632 14.775 1.00 13.41 H new ATOM 0 HG3 ARG A 24 1.170 -12.794 13.754 1.00 13.41 H new ATOM 0 HD2 ARG A 24 -0.053 -10.636 14.235 1.00 70.24 H new ATOM 0 HD3 ARG A 24 -1.083 -11.511 15.351 1.00 70.24 H new ATOM 0 HE ARG A 24 1.226 -12.120 16.486 1.00 32.21 H new ATOM 0 HH11 ARG A 24 0.436 -9.092 14.828 1.00 24.43 H new ATOM 0 HH12 ARG A 24 1.461 -8.112 15.882 1.00 24.43 H new ATOM 0 HH21 ARG A 24 2.504 -10.836 17.863 1.00 70.14 H new ATOM 0 HH22 ARG A 24 2.625 -9.095 17.589 1.00 70.14 H new ATOM 399 N LEU A 25 -1.046 -14.311 9.675 1.00 23.31 N ATOM 400 CA LEU A 25 -1.847 -14.238 8.462 1.00 52.42 C ATOM 401 C LEU A 25 -1.767 -15.556 7.703 1.00 11.11 C ATOM 402 O LEU A 25 -0.722 -16.205 7.682 1.00 13.12 O ATOM 403 CB LEU A 25 -1.348 -13.099 7.562 1.00 42.24 C ATOM 404 CG LEU A 25 -2.352 -12.583 6.535 1.00 62.51 C ATOM 405 CD1 LEU A 25 -3.520 -11.899 7.231 1.00 34.10 C ATOM 406 CD2 LEU A 25 -1.676 -11.626 5.568 1.00 21.15 C ATOM 0 H LEU A 25 -0.072 -14.571 9.520 1.00 23.31 H new ATOM 0 HA LEU A 25 -2.882 -14.044 8.742 1.00 52.42 H new ATOM 0 HB2 LEU A 25 -1.043 -12.266 8.196 1.00 42.24 H new ATOM 0 HB3 LEU A 25 -0.458 -13.441 7.034 1.00 42.24 H new ATOM 0 HG LEU A 25 -2.736 -13.432 5.970 1.00 62.51 H new ATOM 0 HD11 LEU A 25 -4.227 -11.537 6.484 1.00 34.10 H new ATOM 0 HD12 LEU A 25 -4.019 -12.611 7.888 1.00 34.10 H new ATOM 0 HD13 LEU A 25 -3.151 -11.059 7.819 1.00 34.10 H new ATOM 0 HD21 LEU A 25 -2.405 -11.267 4.842 1.00 21.15 H new ATOM 0 HD22 LEU A 25 -1.267 -10.780 6.120 1.00 21.15 H new ATOM 0 HD23 LEU A 25 -0.870 -12.144 5.047 1.00 21.15 H new ATOM 418 N GLU A 26 -2.873 -15.967 7.109 1.00 73.44 N ATOM 419 CA GLU A 26 -2.887 -17.133 6.254 1.00 12.15 C ATOM 420 C GLU A 26 -2.144 -16.845 4.956 1.00 70.21 C ATOM 421 O GLU A 26 -2.053 -15.694 4.523 1.00 20.41 O ATOM 422 CB GLU A 26 -4.326 -17.509 5.943 1.00 63.11 C ATOM 423 CG GLU A 26 -4.617 -18.988 6.049 1.00 23.02 C ATOM 424 CD GLU A 26 -3.806 -19.823 5.083 1.00 52.11 C ATOM 425 OE1 GLU A 26 -4.037 -19.725 3.860 1.00 22.15 O ATOM 426 OE2 GLU A 26 -2.918 -20.568 5.544 1.00 51.23 O ATOM 0 H GLU A 26 -3.777 -15.505 7.206 1.00 73.44 H new ATOM 0 HA GLU A 26 -2.392 -17.957 6.767 1.00 12.15 H new ATOM 0 HB2 GLU A 26 -4.986 -16.971 6.624 1.00 63.11 H new ATOM 0 HB3 GLU A 26 -4.567 -17.174 4.934 1.00 63.11 H new ATOM 0 HG2 GLU A 26 -4.413 -19.320 7.067 1.00 23.02 H new ATOM 0 HG3 GLU A 26 -5.678 -19.158 5.865 1.00 23.02 H new ATOM 433 N ILE A 27 -1.639 -17.897 4.334 1.00 31.14 N ATOM 434 CA ILE A 27 -0.940 -17.778 3.063 1.00 74.42 C ATOM 435 C ILE A 27 -1.905 -17.322 1.972 1.00 13.50 C ATOM 436 O ILE A 27 -1.530 -16.571 1.072 1.00 43.15 O ATOM 437 CB ILE A 27 -0.289 -19.117 2.650 1.00 44.22 C ATOM 438 CG1 ILE A 27 0.658 -19.607 3.750 1.00 51.40 C ATOM 439 CG2 ILE A 27 0.459 -18.969 1.330 1.00 73.34 C ATOM 440 CD1 ILE A 27 1.290 -20.951 3.457 1.00 42.15 C ATOM 0 H ILE A 27 -1.700 -18.851 4.691 1.00 31.14 H new ATOM 0 HA ILE A 27 -0.151 -17.036 3.187 1.00 74.42 H new ATOM 0 HB ILE A 27 -1.078 -19.856 2.513 1.00 44.22 H new ATOM 0 HG12 ILE A 27 1.447 -18.868 3.893 1.00 51.40 H new ATOM 0 HG13 ILE A 27 0.107 -19.672 4.689 1.00 51.40 H new ATOM 0 HG21 ILE A 27 0.910 -19.924 1.058 1.00 73.34 H new ATOM 0 HG22 ILE A 27 -0.237 -18.661 0.550 1.00 73.34 H new ATOM 0 HG23 ILE A 27 1.240 -18.216 1.437 1.00 73.34 H new ATOM 0 HD11 ILE A 27 1.947 -21.231 4.280 1.00 42.15 H new ATOM 0 HD12 ILE A 27 0.509 -21.703 3.343 1.00 42.15 H new ATOM 0 HD13 ILE A 27 1.869 -20.888 2.536 1.00 42.15 H new ATOM 452 N GLY A 28 -3.152 -17.774 2.075 1.00 44.31 N ATOM 453 CA GLY A 28 -4.172 -17.403 1.110 1.00 52.33 C ATOM 454 C GLY A 28 -4.342 -15.899 0.990 1.00 23.13 C ATOM 455 O GLY A 28 -4.172 -15.334 -0.092 1.00 43.21 O ATOM 0 H GLY A 28 -3.476 -18.396 2.816 1.00 44.31 H new ATOM 0 HA2 GLY A 28 -3.911 -17.815 0.135 1.00 52.33 H new ATOM 0 HA3 GLY A 28 -5.122 -17.850 1.401 1.00 52.33 H new ATOM 459 N THR A 29 -4.671 -15.251 2.099 1.00 55.13 N ATOM 460 CA THR A 29 -4.848 -13.806 2.108 1.00 0.43 C ATOM 461 C THR A 29 -3.524 -13.089 1.830 1.00 33.34 C ATOM 462 O THR A 29 -3.489 -12.127 1.059 1.00 34.00 O ATOM 463 CB THR A 29 -5.472 -13.311 3.437 1.00 32.01 C ATOM 464 OG1 THR A 29 -5.403 -11.882 3.529 1.00 25.21 O ATOM 465 CG2 THR A 29 -4.791 -13.940 4.641 1.00 2.55 C ATOM 0 H THR A 29 -4.820 -15.702 3.002 1.00 55.13 H new ATOM 0 HA THR A 29 -5.546 -13.561 1.307 1.00 0.43 H new ATOM 0 HB THR A 29 -6.518 -13.617 3.438 1.00 32.01 H new ATOM 0 HG1 THR A 29 -5.803 -11.589 4.374 1.00 25.21 H new ATOM 0 HG21 THR A 29 -5.254 -13.570 5.556 1.00 2.55 H new ATOM 0 HG22 THR A 29 -4.896 -15.024 4.594 1.00 2.55 H new ATOM 0 HG23 THR A 29 -3.733 -13.678 4.639 1.00 2.55 H new ATOM 473 N PHE A 30 -2.434 -13.565 2.441 1.00 62.21 N ATOM 474 CA PHE A 30 -1.105 -13.008 2.193 1.00 42.53 C ATOM 475 C PHE A 30 -0.793 -12.938 0.697 1.00 61.41 C ATOM 476 O PHE A 30 -0.455 -11.874 0.183 1.00 43.04 O ATOM 477 CB PHE A 30 -0.036 -13.839 2.910 1.00 13.24 C ATOM 478 CG PHE A 30 1.363 -13.322 2.718 1.00 2.42 C ATOM 479 CD1 PHE A 30 1.783 -12.166 3.358 1.00 1.44 C ATOM 480 CD2 PHE A 30 2.259 -13.991 1.897 1.00 31.12 C ATOM 481 CE1 PHE A 30 3.068 -11.688 3.184 1.00 41.53 C ATOM 482 CE2 PHE A 30 3.546 -13.517 1.719 1.00 53.11 C ATOM 483 CZ PHE A 30 3.951 -12.364 2.364 1.00 72.21 C ATOM 0 H PHE A 30 -2.448 -14.335 3.110 1.00 62.21 H new ATOM 0 HA PHE A 30 -1.097 -11.992 2.587 1.00 42.53 H new ATOM 0 HB2 PHE A 30 -0.262 -13.863 3.976 1.00 13.24 H new ATOM 0 HB3 PHE A 30 -0.086 -14.867 2.551 1.00 13.24 H new ATOM 0 HD1 PHE A 30 1.098 -11.633 4.000 1.00 1.44 H new ATOM 0 HD2 PHE A 30 1.948 -14.893 1.391 1.00 31.12 H new ATOM 0 HE1 PHE A 30 3.382 -10.786 3.689 1.00 41.53 H new ATOM 0 HE2 PHE A 30 4.234 -14.047 1.077 1.00 53.11 H new ATOM 0 HZ PHE A 30 4.956 -11.992 2.227 1.00 72.21 H new ATOM 493 N ARG A 31 -0.936 -14.061 -0.001 1.00 10.42 N ATOM 494 CA ARG A 31 -0.575 -14.128 -1.417 1.00 44.35 C ATOM 495 C ARG A 31 -1.568 -13.349 -2.281 1.00 21.21 C ATOM 496 O ARG A 31 -1.247 -12.960 -3.402 1.00 63.43 O ATOM 497 CB ARG A 31 -0.492 -15.585 -1.894 1.00 73.44 C ATOM 498 CG ARG A 31 -1.842 -16.265 -2.051 1.00 71.10 C ATOM 499 CD ARG A 31 -1.691 -17.715 -2.479 1.00 53.14 C ATOM 500 NE ARG A 31 -2.978 -18.316 -2.823 1.00 12.13 N ATOM 501 CZ ARG A 31 -3.159 -19.613 -3.069 1.00 1.23 C ATOM 502 NH1 ARG A 31 -2.143 -20.463 -2.993 1.00 33.31 N ATOM 503 NH2 ARG A 31 -4.363 -20.054 -3.398 1.00 52.22 N ATOM 0 H ARG A 31 -1.297 -14.933 0.386 1.00 10.42 H new ATOM 0 HA ARG A 31 0.407 -13.668 -1.525 1.00 44.35 H new ATOM 0 HB2 ARG A 31 0.030 -15.614 -2.850 1.00 73.44 H new ATOM 0 HB3 ARG A 31 0.109 -16.154 -1.185 1.00 73.44 H new ATOM 0 HG2 ARG A 31 -2.386 -16.218 -1.107 1.00 71.10 H new ATOM 0 HG3 ARG A 31 -2.437 -15.727 -2.789 1.00 71.10 H new ATOM 0 HD2 ARG A 31 -1.022 -17.773 -3.337 1.00 53.14 H new ATOM 0 HD3 ARG A 31 -1.227 -18.285 -1.674 1.00 53.14 H new ATOM 0 HE ARG A 31 -3.791 -17.702 -2.878 1.00 12.13 H new ATOM 0 HH11 ARG A 31 -1.213 -20.125 -2.744 1.00 33.31 H new ATOM 0 HH12 ARG A 31 -2.292 -21.454 -3.183 1.00 33.31 H new ATOM 0 HH21 ARG A 31 -5.145 -19.402 -3.462 1.00 52.22 H new ATOM 0 HH22 ARG A 31 -4.509 -21.046 -3.588 1.00 52.22 H new ATOM 517 N HIS A 32 -2.765 -13.113 -1.751 1.00 55.33 N ATOM 518 CA HIS A 32 -3.796 -12.376 -2.478 1.00 34.12 C ATOM 519 C HIS A 32 -3.371 -10.922 -2.674 1.00 22.15 C ATOM 520 O HIS A 32 -3.819 -10.248 -3.598 1.00 11.43 O ATOM 521 CB HIS A 32 -5.132 -12.440 -1.730 1.00 33.21 C ATOM 522 CG HIS A 32 -6.285 -11.892 -2.515 1.00 34.24 C ATOM 523 ND1 HIS A 32 -6.972 -10.750 -2.158 1.00 54.12 N ATOM 524 CD2 HIS A 32 -6.871 -12.343 -3.647 1.00 21.44 C ATOM 525 CE1 HIS A 32 -7.929 -10.525 -3.037 1.00 2.02 C ATOM 526 NE2 HIS A 32 -7.891 -11.478 -3.949 1.00 10.44 N ATOM 0 H HIS A 32 -3.046 -13.421 -0.820 1.00 55.33 H new ATOM 0 HA HIS A 32 -3.924 -12.839 -3.456 1.00 34.12 H new ATOM 0 HB2 HIS A 32 -5.342 -13.477 -1.467 1.00 33.21 H new ATOM 0 HB3 HIS A 32 -5.043 -11.886 -0.796 1.00 33.21 H new ATOM 0 HD2 HIS A 32 -6.588 -13.221 -4.209 1.00 21.44 H new ATOM 0 HE1 HIS A 32 -8.626 -9.700 -3.014 1.00 2.02 H new ATOM 0 HE2 HIS A 32 -8.519 -11.558 -4.749 1.00 10.44 H new ATOM 535 N HIS A 33 -2.502 -10.456 -1.792 1.00 1.45 N ATOM 536 CA HIS A 33 -1.935 -9.118 -1.891 1.00 13.31 C ATOM 537 C HIS A 33 -0.428 -9.204 -1.705 1.00 4.31 C ATOM 538 O HIS A 33 0.188 -8.357 -1.059 1.00 44.21 O ATOM 539 CB HIS A 33 -2.562 -8.172 -0.852 1.00 2.25 C ATOM 540 CG HIS A 33 -2.540 -8.687 0.558 1.00 65.21 C ATOM 541 ND1 HIS A 33 -1.391 -8.789 1.312 1.00 22.34 N ATOM 542 CD2 HIS A 33 -3.544 -9.131 1.347 1.00 13.44 C ATOM 543 CE1 HIS A 33 -1.691 -9.276 2.502 1.00 41.20 C ATOM 544 NE2 HIS A 33 -2.992 -9.490 2.550 1.00 30.11 N ATOM 0 H HIS A 33 -2.170 -10.991 -0.990 1.00 1.45 H new ATOM 0 HA HIS A 33 -2.156 -8.708 -2.876 1.00 13.31 H new ATOM 0 HB2 HIS A 33 -2.035 -7.218 -0.884 1.00 2.25 H new ATOM 0 HB3 HIS A 33 -3.596 -7.975 -1.137 1.00 2.25 H new ATOM 0 HD1 HIS A 33 -0.455 -8.529 1.000 1.00 22.34 H new ATOM 0 HD2 HIS A 33 -4.589 -9.192 1.079 1.00 13.44 H new ATOM 0 HE1 HIS A 33 -0.990 -9.467 3.301 1.00 41.20 H new ATOM 553 N LYS A 34 0.145 -10.248 -2.286 1.00 14.32 N ATOM 554 CA LYS A 34 1.561 -10.542 -2.136 1.00 11.04 C ATOM 555 C LYS A 34 2.420 -9.554 -2.917 1.00 52.43 C ATOM 556 O LYS A 34 3.116 -8.727 -2.332 1.00 33.12 O ATOM 557 CB LYS A 34 1.840 -11.968 -2.610 1.00 2.02 C ATOM 558 CG LYS A 34 3.293 -12.384 -2.501 1.00 22.32 C ATOM 559 CD LYS A 34 3.536 -13.711 -3.199 1.00 4.33 C ATOM 560 CE LYS A 34 5.013 -14.046 -3.241 1.00 41.14 C ATOM 561 NZ LYS A 34 5.300 -15.201 -4.133 1.00 31.02 N ATOM 0 H LYS A 34 -0.358 -10.913 -2.873 1.00 14.32 H new ATOM 0 HA LYS A 34 1.821 -10.448 -1.082 1.00 11.04 H new ATOM 0 HB2 LYS A 34 1.231 -12.659 -2.027 1.00 2.02 H new ATOM 0 HB3 LYS A 34 1.523 -12.063 -3.649 1.00 2.02 H new ATOM 0 HG2 LYS A 34 3.928 -11.616 -2.942 1.00 22.32 H new ATOM 0 HG3 LYS A 34 3.573 -12.465 -1.451 1.00 22.32 H new ATOM 0 HD2 LYS A 34 2.996 -14.502 -2.680 1.00 4.33 H new ATOM 0 HD3 LYS A 34 3.141 -13.669 -4.214 1.00 4.33 H new ATOM 0 HE2 LYS A 34 5.572 -13.176 -3.585 1.00 41.14 H new ATOM 0 HE3 LYS A 34 5.362 -14.271 -2.233 1.00 41.14 H new ATOM 0 HZ1 LYS A 34 6.322 -15.395 -4.132 1.00 31.02 H new ATOM 0 HZ2 LYS A 34 4.788 -16.039 -3.791 1.00 31.02 H new ATOM 0 HZ3 LYS A 34 4.991 -14.977 -5.101 1.00 31.02 H new ATOM 575 N SER A 35 2.378 -9.642 -4.240 1.00 70.41 N ATOM 576 CA SER A 35 3.203 -8.787 -5.070 1.00 54.23 C ATOM 577 C SER A 35 2.446 -7.528 -5.482 1.00 42.21 C ATOM 578 O SER A 35 2.722 -6.449 -4.962 1.00 34.22 O ATOM 579 CB SER A 35 3.685 -9.566 -6.298 1.00 42.21 C ATOM 580 OG SER A 35 2.612 -10.258 -6.922 1.00 2.53 O ATOM 0 H SER A 35 1.785 -10.293 -4.755 1.00 70.41 H new ATOM 0 HA SER A 35 4.072 -8.471 -4.493 1.00 54.23 H new ATOM 0 HB2 SER A 35 4.142 -8.880 -7.011 1.00 42.21 H new ATOM 0 HB3 SER A 35 4.456 -10.277 -6.001 1.00 42.21 H new ATOM 0 HG SER A 35 2.947 -10.745 -7.703 1.00 2.53 H new ATOM 586 N CYS A 36 1.473 -7.697 -6.382 1.00 23.00 N ATOM 587 CA CYS A 36 0.636 -6.604 -6.899 1.00 43.40 C ATOM 588 C CYS A 36 1.450 -5.353 -7.268 1.00 73.13 C ATOM 589 O CYS A 36 1.891 -5.204 -8.407 1.00 31.31 O ATOM 590 CB CYS A 36 -0.456 -6.256 -5.885 1.00 73.45 C ATOM 591 SG CYS A 36 -1.498 -7.662 -5.420 1.00 3.05 S ATOM 0 H CYS A 36 1.239 -8.607 -6.779 1.00 23.00 H new ATOM 0 HA CYS A 36 0.177 -6.959 -7.822 1.00 43.40 H new ATOM 0 HB2 CYS A 36 0.011 -5.850 -4.988 1.00 73.45 H new ATOM 0 HB3 CYS A 36 -1.087 -5.470 -6.300 1.00 73.45 H new ATOM 0 HG CYS A 36 -2.335 -7.295 -4.496 1.00 3.05 H new ATOM 597 N MET A 37 1.681 -4.486 -6.287 1.00 14.22 N ATOM 598 CA MET A 37 2.432 -3.250 -6.496 1.00 22.23 C ATOM 599 C MET A 37 3.916 -3.538 -6.723 1.00 25.20 C ATOM 600 O MET A 37 4.615 -2.768 -7.376 1.00 21.41 O ATOM 601 CB MET A 37 2.250 -2.314 -5.295 1.00 63.14 C ATOM 602 CG MET A 37 2.602 -2.956 -3.959 1.00 2.45 C ATOM 603 SD MET A 37 2.356 -1.846 -2.561 1.00 12.14 S ATOM 604 CE MET A 37 2.818 -2.914 -1.198 1.00 12.40 C ATOM 0 H MET A 37 1.355 -4.618 -5.329 1.00 14.22 H new ATOM 0 HA MET A 37 2.043 -2.763 -7.390 1.00 22.23 H new ATOM 0 HB2 MET A 37 2.871 -1.429 -5.438 1.00 63.14 H new ATOM 0 HB3 MET A 37 1.215 -1.975 -5.263 1.00 63.14 H new ATOM 0 HG2 MET A 37 1.993 -3.849 -3.819 1.00 2.45 H new ATOM 0 HG3 MET A 37 3.642 -3.280 -3.980 1.00 2.45 H new ATOM 0 HE1 MET A 37 2.994 -2.311 -0.307 1.00 12.40 H new ATOM 0 HE2 MET A 37 2.014 -3.623 -1.003 1.00 12.40 H new ATOM 0 HE3 MET A 37 3.727 -3.458 -1.454 1.00 12.40 H new ATOM 614 N ARG A 38 4.386 -4.657 -6.183 1.00 74.30 N ATOM 615 CA ARG A 38 5.779 -5.067 -6.336 1.00 44.14 C ATOM 616 C ARG A 38 6.000 -5.610 -7.736 1.00 33.02 C ATOM 617 O ARG A 38 7.090 -5.534 -8.298 1.00 51.31 O ATOM 618 CB ARG A 38 6.110 -6.154 -5.322 1.00 23.31 C ATOM 619 CG ARG A 38 7.582 -6.218 -4.949 1.00 64.03 C ATOM 620 CD ARG A 38 7.871 -7.364 -3.993 1.00 33.41 C ATOM 621 NE ARG A 38 9.244 -7.325 -3.495 1.00 23.05 N ATOM 622 CZ ARG A 38 9.944 -8.401 -3.145 1.00 34.53 C ATOM 623 NH1 ARG A 38 9.417 -9.614 -3.284 1.00 70.20 N ATOM 624 NH2 ARG A 38 11.174 -8.262 -2.662 1.00 11.51 N ATOM 0 H ARG A 38 3.819 -5.301 -5.632 1.00 74.30 H new ATOM 0 HA ARG A 38 6.424 -4.204 -6.170 1.00 44.14 H new ATOM 0 HB2 ARG A 38 5.523 -5.986 -4.419 1.00 23.31 H new ATOM 0 HB3 ARG A 38 5.805 -7.119 -5.726 1.00 23.31 H new ATOM 0 HG2 ARG A 38 8.181 -6.337 -5.852 1.00 64.03 H new ATOM 0 HG3 ARG A 38 7.882 -5.276 -4.489 1.00 64.03 H new ATOM 0 HD2 ARG A 38 7.179 -7.319 -3.152 1.00 33.41 H new ATOM 0 HD3 ARG A 38 7.696 -8.313 -4.500 1.00 33.41 H new ATOM 0 HE ARG A 38 9.695 -6.414 -3.410 1.00 23.05 H new ATOM 0 HH11 ARG A 38 8.475 -9.721 -3.659 1.00 70.20 H new ATOM 0 HH12 ARG A 38 9.955 -10.438 -3.015 1.00 70.20 H new ATOM 0 HH21 ARG A 38 11.580 -7.332 -2.560 1.00 11.51 H new ATOM 0 HH22 ARG A 38 11.712 -9.086 -2.393 1.00 11.51 H new ATOM 638 N LYS A 39 4.937 -6.171 -8.273 1.00 34.42 N ATOM 639 CA LYS A 39 4.946 -6.761 -9.598 1.00 1.24 C ATOM 640 C LYS A 39 4.732 -5.708 -10.677 1.00 51.41 C ATOM 641 O LYS A 39 5.315 -5.781 -11.761 1.00 44.51 O ATOM 642 CB LYS A 39 3.876 -7.854 -9.650 1.00 20.54 C ATOM 643 CG LYS A 39 3.278 -8.092 -11.023 1.00 15.32 C ATOM 644 CD LYS A 39 1.925 -7.412 -11.116 1.00 1.35 C ATOM 645 CE LYS A 39 1.675 -6.817 -12.485 1.00 1.03 C ATOM 646 NZ LYS A 39 1.353 -7.849 -13.505 1.00 44.13 N ATOM 0 H LYS A 39 4.035 -6.232 -7.800 1.00 34.42 H new ATOM 0 HA LYS A 39 5.922 -7.204 -9.795 1.00 1.24 H new ATOM 0 HB2 LYS A 39 4.312 -8.787 -9.292 1.00 20.54 H new ATOM 0 HB3 LYS A 39 3.074 -7.591 -8.960 1.00 20.54 H new ATOM 0 HG2 LYS A 39 3.945 -7.704 -11.793 1.00 15.32 H new ATOM 0 HG3 LYS A 39 3.171 -9.162 -11.203 1.00 15.32 H new ATOM 0 HD2 LYS A 39 1.141 -8.134 -10.887 1.00 1.35 H new ATOM 0 HD3 LYS A 39 1.863 -6.626 -10.364 1.00 1.35 H new ATOM 0 HE2 LYS A 39 0.853 -6.104 -12.423 1.00 1.03 H new ATOM 0 HE3 LYS A 39 2.557 -6.260 -12.802 1.00 1.03 H new ATOM 0 HZ1 LYS A 39 1.191 -7.390 -14.424 1.00 44.13 H new ATOM 0 HZ2 LYS A 39 2.147 -8.516 -13.587 1.00 44.13 H new ATOM 0 HZ3 LYS A 39 0.496 -8.364 -13.219 1.00 44.13 H new ATOM 660 N PHE A 40 3.896 -4.729 -10.377 1.00 74.23 N ATOM 661 CA PHE A 40 3.625 -3.655 -11.313 1.00 31.44 C ATOM 662 C PHE A 40 4.826 -2.718 -11.392 1.00 44.42 C ATOM 663 O PHE A 40 5.091 -2.112 -12.429 1.00 42.14 O ATOM 664 CB PHE A 40 2.364 -2.896 -10.888 1.00 63.21 C ATOM 665 CG PHE A 40 1.908 -1.866 -11.881 1.00 22.12 C ATOM 666 CD1 PHE A 40 1.867 -2.163 -13.234 1.00 63.10 C ATOM 667 CD2 PHE A 40 1.526 -0.602 -11.463 1.00 22.52 C ATOM 668 CE1 PHE A 40 1.453 -1.218 -14.150 1.00 35.42 C ATOM 669 CE2 PHE A 40 1.111 0.346 -12.375 1.00 63.40 C ATOM 670 CZ PHE A 40 1.075 0.038 -13.720 1.00 65.01 C ATOM 0 H PHE A 40 3.394 -4.657 -9.492 1.00 74.23 H new ATOM 0 HA PHE A 40 3.453 -4.075 -12.304 1.00 31.44 H new ATOM 0 HB2 PHE A 40 1.558 -3.612 -10.727 1.00 63.21 H new ATOM 0 HB3 PHE A 40 2.552 -2.407 -9.932 1.00 63.21 H new ATOM 0 HD1 PHE A 40 2.162 -3.144 -13.575 1.00 63.10 H new ATOM 0 HD2 PHE A 40 1.553 -0.356 -10.412 1.00 22.52 H new ATOM 0 HE1 PHE A 40 1.425 -1.461 -15.202 1.00 35.42 H new ATOM 0 HE2 PHE A 40 0.815 1.328 -12.037 1.00 63.40 H new ATOM 0 HZ PHE A 40 0.751 0.779 -14.436 1.00 65.01 H new ATOM 680 N LYS A 41 5.570 -2.639 -10.298 1.00 40.24 N ATOM 681 CA LYS A 41 6.730 -1.762 -10.216 1.00 15.23 C ATOM 682 C LYS A 41 7.877 -2.453 -9.493 1.00 31.02 C ATOM 683 O LYS A 41 7.887 -2.537 -8.263 1.00 1.45 O ATOM 684 CB LYS A 41 6.395 -0.445 -9.499 1.00 21.43 C ATOM 685 CG LYS A 41 6.065 0.719 -10.429 1.00 75.33 C ATOM 686 CD LYS A 41 4.665 0.619 -11.003 1.00 43.12 C ATOM 687 CE LYS A 41 4.355 1.778 -11.937 1.00 10.23 C ATOM 688 NZ LYS A 41 5.214 1.779 -13.153 1.00 74.04 N ATOM 0 H LYS A 41 5.389 -3.175 -9.449 1.00 40.24 H new ATOM 0 HA LYS A 41 7.031 -1.532 -11.238 1.00 15.23 H new ATOM 0 HB2 LYS A 41 5.547 -0.614 -8.835 1.00 21.43 H new ATOM 0 HB3 LYS A 41 7.240 -0.163 -8.871 1.00 21.43 H new ATOM 0 HG2 LYS A 41 6.165 1.657 -9.883 1.00 75.33 H new ATOM 0 HG3 LYS A 41 6.788 0.746 -11.244 1.00 75.33 H new ATOM 0 HD2 LYS A 41 4.560 -0.322 -11.543 1.00 43.12 H new ATOM 0 HD3 LYS A 41 3.939 0.603 -10.190 1.00 43.12 H new ATOM 0 HE2 LYS A 41 3.308 1.729 -12.236 1.00 10.23 H new ATOM 0 HE3 LYS A 41 4.489 2.718 -11.401 1.00 10.23 H new ATOM 0 HZ1 LYS A 41 4.854 2.480 -13.832 1.00 74.04 H new ATOM 0 HZ2 LYS A 41 6.190 2.022 -12.888 1.00 74.04 H new ATOM 0 HZ3 LYS A 41 5.199 0.835 -13.590 1.00 74.04 H new ATOM 702 N GLU A 42 8.824 -2.965 -10.264 1.00 45.42 N ATOM 703 CA GLU A 42 10.032 -3.561 -9.706 1.00 22.44 C ATOM 704 C GLU A 42 10.842 -2.485 -8.992 1.00 63.35 C ATOM 705 O GLU A 42 10.959 -2.472 -7.768 1.00 13.10 O ATOM 706 CB GLU A 42 10.885 -4.176 -10.817 1.00 62.34 C ATOM 707 CG GLU A 42 10.138 -5.139 -11.721 1.00 65.44 C ATOM 708 CD GLU A 42 10.971 -5.576 -12.907 1.00 73.05 C ATOM 709 OE1 GLU A 42 11.067 -4.807 -13.884 1.00 5.10 O ATOM 710 OE2 GLU A 42 11.533 -6.690 -12.871 1.00 2.23 O ATOM 0 H GLU A 42 8.780 -2.980 -11.283 1.00 45.42 H new ATOM 0 HA GLU A 42 9.746 -4.343 -9.003 1.00 22.44 H new ATOM 0 HB2 GLU A 42 11.300 -3.373 -11.426 1.00 62.34 H new ATOM 0 HB3 GLU A 42 11.726 -4.700 -10.364 1.00 62.34 H new ATOM 0 HG2 GLU A 42 9.839 -6.016 -11.147 1.00 65.44 H new ATOM 0 HG3 GLU A 42 9.223 -4.665 -12.077 1.00 65.44 H new ATOM 717 N TYR A 43 11.375 -1.570 -9.783 1.00 33.14 N ATOM 718 CA TYR A 43 12.109 -0.424 -9.275 1.00 34.04 C ATOM 719 C TYR A 43 11.465 0.847 -9.802 1.00 43.11 C ATOM 720 O TYR A 43 11.263 0.994 -11.010 1.00 24.53 O ATOM 721 CB TYR A 43 13.593 -0.499 -9.668 1.00 5.22 C ATOM 722 CG TYR A 43 13.868 -1.319 -10.914 1.00 0.43 C ATOM 723 CD1 TYR A 43 13.692 -0.786 -12.186 1.00 61.55 C ATOM 724 CD2 TYR A 43 14.303 -2.636 -10.812 1.00 70.51 C ATOM 725 CE1 TYR A 43 13.940 -1.542 -13.318 1.00 31.34 C ATOM 726 CE2 TYR A 43 14.554 -3.397 -11.938 1.00 63.41 C ATOM 727 CZ TYR A 43 14.371 -2.847 -13.188 1.00 12.51 C ATOM 728 OH TYR A 43 14.621 -3.602 -14.313 1.00 25.02 O ATOM 0 H TYR A 43 11.310 -1.601 -10.800 1.00 33.14 H new ATOM 0 HA TYR A 43 12.067 -0.423 -8.186 1.00 34.04 H new ATOM 0 HB2 TYR A 43 13.967 0.513 -9.823 1.00 5.22 H new ATOM 0 HB3 TYR A 43 14.156 -0.923 -8.837 1.00 5.22 H new ATOM 0 HD1 TYR A 43 13.356 0.235 -12.292 1.00 61.55 H new ATOM 0 HD2 TYR A 43 14.447 -3.072 -9.835 1.00 70.51 H new ATOM 0 HE1 TYR A 43 13.797 -1.113 -14.299 1.00 31.34 H new ATOM 0 HE2 TYR A 43 14.892 -4.418 -11.839 1.00 63.41 H new ATOM 0 HH TYR A 43 14.918 -4.497 -14.047 1.00 25.02 H new ATOM 738 N CYS A 44 11.117 1.747 -8.900 1.00 50.21 N ATOM 739 CA CYS A 44 10.355 2.928 -9.257 1.00 41.11 C ATOM 740 C CYS A 44 10.755 4.121 -8.394 1.00 64.44 C ATOM 741 O CYS A 44 11.637 4.898 -8.775 1.00 21.23 O ATOM 742 CB CYS A 44 8.865 2.625 -9.098 1.00 52.42 C ATOM 743 SG CYS A 44 8.470 1.727 -7.574 1.00 24.25 S ATOM 0 H CYS A 44 11.352 1.681 -7.910 1.00 50.21 H new ATOM 0 HA CYS A 44 10.567 3.189 -10.294 1.00 41.11 H new ATOM 0 HB2 CYS A 44 8.308 3.562 -9.113 1.00 52.42 H new ATOM 0 HB3 CYS A 44 8.528 2.040 -9.953 1.00 52.42 H new ATOM 0 HG CYS A 44 9.531 1.652 -6.827 1.00 24.25 H new ATOM 749 N GLU A 45 10.120 4.229 -7.212 1.00 72.23 N ATOM 750 CA GLU A 45 10.378 5.306 -6.249 1.00 54.30 C ATOM 751 C GLU A 45 10.495 6.673 -6.917 1.00 3.23 C ATOM 752 O GLU A 45 9.888 6.923 -7.959 1.00 2.32 O ATOM 753 CB GLU A 45 11.583 5.003 -5.333 1.00 50.52 C ATOM 754 CG GLU A 45 12.557 3.955 -5.852 1.00 4.25 C ATOM 755 CD GLU A 45 12.116 2.549 -5.477 1.00 1.32 C ATOM 756 OE1 GLU A 45 12.402 2.121 -4.343 1.00 11.01 O ATOM 757 OE2 GLU A 45 11.455 1.878 -6.298 1.00 61.34 O ATOM 0 H GLU A 45 9.410 3.566 -6.900 1.00 72.23 H new ATOM 0 HA GLU A 45 9.500 5.350 -5.604 1.00 54.30 H new ATOM 0 HB2 GLU A 45 12.131 5.930 -5.165 1.00 50.52 H new ATOM 0 HB3 GLU A 45 11.206 4.675 -4.364 1.00 50.52 H new ATOM 0 HG2 GLU A 45 12.636 4.036 -6.936 1.00 4.25 H new ATOM 0 HG3 GLU A 45 13.550 4.147 -5.445 1.00 4.25 H new ATOM 764 N GLY A 46 11.221 7.576 -6.281 1.00 11.44 N ATOM 765 CA GLY A 46 11.354 8.917 -6.811 1.00 33.41 C ATOM 766 C GLY A 46 10.300 9.845 -6.249 1.00 43.22 C ATOM 767 O GLY A 46 10.392 11.062 -6.391 1.00 52.14 O ATOM 0 H GLY A 46 11.721 7.406 -5.408 1.00 11.44 H new ATOM 0 HA2 GLY A 46 12.345 9.305 -6.575 1.00 33.41 H new ATOM 0 HA3 GLY A 46 11.273 8.889 -7.898 1.00 33.41 H new ATOM 771 N LEU A 47 9.291 9.261 -5.615 1.00 42.53 N ATOM 772 CA LEU A 47 8.255 10.041 -4.961 1.00 41.13 C ATOM 773 C LEU A 47 8.670 10.377 -3.539 1.00 61.04 C ATOM 774 O LEU A 47 9.490 9.680 -2.937 1.00 24.53 O ATOM 775 CB LEU A 47 6.880 9.327 -5.014 1.00 13.04 C ATOM 776 CG LEU A 47 6.635 8.100 -4.102 1.00 31.32 C ATOM 777 CD1 LEU A 47 7.757 7.074 -4.200 1.00 3.44 C ATOM 778 CD2 LEU A 47 6.392 8.500 -2.652 1.00 60.13 C ATOM 0 H LEU A 47 9.170 8.251 -5.541 1.00 42.53 H new ATOM 0 HA LEU A 47 8.135 10.977 -5.506 1.00 41.13 H new ATOM 0 HB2 LEU A 47 6.115 10.068 -4.781 1.00 13.04 H new ATOM 0 HB3 LEU A 47 6.713 9.010 -6.044 1.00 13.04 H new ATOM 0 HG LEU A 47 5.725 7.628 -4.471 1.00 31.32 H new ATOM 0 HD11 LEU A 47 7.539 6.233 -3.542 1.00 3.44 H new ATOM 0 HD12 LEU A 47 7.837 6.720 -5.228 1.00 3.44 H new ATOM 0 HD13 LEU A 47 8.698 7.535 -3.900 1.00 3.44 H new ATOM 0 HD21 LEU A 47 6.225 7.606 -2.051 1.00 60.13 H new ATOM 0 HD22 LEU A 47 7.262 9.036 -2.272 1.00 60.13 H new ATOM 0 HD23 LEU A 47 5.515 9.145 -2.594 1.00 60.13 H new ATOM 790 N GLN A 48 8.097 11.440 -3.012 1.00 53.43 N ATOM 791 CA GLN A 48 8.502 11.970 -1.718 1.00 53.12 C ATOM 792 C GLN A 48 7.426 11.761 -0.665 1.00 20.13 C ATOM 793 O GLN A 48 6.359 11.214 -0.940 1.00 2.32 O ATOM 794 CB GLN A 48 8.834 13.460 -1.829 1.00 74.11 C ATOM 795 CG GLN A 48 10.303 13.762 -2.105 1.00 11.53 C ATOM 796 CD GLN A 48 10.941 12.784 -3.069 1.00 50.23 C ATOM 797 OE1 GLN A 48 11.552 11.797 -2.657 1.00 13.54 O ATOM 798 NE2 GLN A 48 10.786 13.034 -4.355 1.00 42.03 N ATOM 0 H GLN A 48 7.343 11.960 -3.461 1.00 53.43 H new ATOM 0 HA GLN A 48 9.392 11.424 -1.407 1.00 53.12 H new ATOM 0 HB2 GLN A 48 8.231 13.895 -2.626 1.00 74.11 H new ATOM 0 HB3 GLN A 48 8.542 13.954 -0.902 1.00 74.11 H new ATOM 0 HG2 GLN A 48 10.390 14.770 -2.509 1.00 11.53 H new ATOM 0 HG3 GLN A 48 10.854 13.747 -1.164 1.00 11.53 H new ATOM 0 HE21 GLN A 48 10.273 13.863 -4.655 1.00 42.03 H new ATOM 0 HE22 GLN A 48 11.179 12.398 -5.049 1.00 42.03 H new ATOM 807 N PHE A 49 7.717 12.238 0.534 1.00 20.22 N ATOM 808 CA PHE A 49 6.843 12.050 1.684 1.00 4.42 C ATOM 809 C PHE A 49 5.534 12.819 1.521 1.00 73.31 C ATOM 810 O PHE A 49 4.455 12.243 1.599 1.00 5.32 O ATOM 811 CB PHE A 49 7.565 12.472 2.976 1.00 13.24 C ATOM 812 CG PHE A 49 8.058 13.896 2.983 1.00 63.25 C ATOM 813 CD1 PHE A 49 9.142 14.276 2.207 1.00 3.32 C ATOM 814 CD2 PHE A 49 7.436 14.853 3.767 1.00 64.43 C ATOM 815 CE1 PHE A 49 9.594 15.580 2.214 1.00 73.21 C ATOM 816 CE2 PHE A 49 7.885 16.160 3.778 1.00 12.13 C ATOM 817 CZ PHE A 49 8.966 16.523 3.001 1.00 24.23 C ATOM 0 H PHE A 49 8.565 12.766 0.739 1.00 20.22 H new ATOM 0 HA PHE A 49 6.596 10.991 1.750 1.00 4.42 H new ATOM 0 HB2 PHE A 49 6.887 12.332 3.818 1.00 13.24 H new ATOM 0 HB3 PHE A 49 8.414 11.807 3.136 1.00 13.24 H new ATOM 0 HD1 PHE A 49 9.639 13.543 1.589 1.00 3.32 H new ATOM 0 HD2 PHE A 49 6.590 14.575 4.377 1.00 64.43 H new ATOM 0 HE1 PHE A 49 10.439 15.862 1.604 1.00 73.21 H new ATOM 0 HE2 PHE A 49 7.390 16.896 4.394 1.00 12.13 H new ATOM 0 HZ PHE A 49 9.320 17.543 3.009 1.00 24.23 H new ATOM 827 N HIS A 50 5.631 14.113 1.247 1.00 24.45 N ATOM 828 CA HIS A 50 4.446 14.949 1.152 1.00 63.22 C ATOM 829 C HIS A 50 3.877 14.876 -0.260 1.00 54.33 C ATOM 830 O HIS A 50 2.905 15.553 -0.596 1.00 12.13 O ATOM 831 CB HIS A 50 4.781 16.392 1.537 1.00 54.14 C ATOM 832 CG HIS A 50 3.585 17.206 1.922 1.00 72.34 C ATOM 833 ND1 HIS A 50 3.030 17.168 3.180 1.00 21.10 N ATOM 834 CD2 HIS A 50 2.847 18.089 1.214 1.00 31.12 C ATOM 835 CE1 HIS A 50 2.001 17.992 3.231 1.00 51.13 C ATOM 836 NE2 HIS A 50 1.868 18.567 2.049 1.00 52.20 N ATOM 0 H HIS A 50 6.512 14.602 1.088 1.00 24.45 H new ATOM 0 HA HIS A 50 3.691 14.584 1.848 1.00 63.22 H new ATOM 0 HB2 HIS A 50 5.486 16.382 2.368 1.00 54.14 H new ATOM 0 HB3 HIS A 50 5.283 16.875 0.699 1.00 54.14 H new ATOM 0 HD2 HIS A 50 2.999 18.367 0.182 1.00 31.12 H new ATOM 0 HE1 HIS A 50 1.374 18.167 4.093 1.00 51.13 H new ATOM 0 HE2 HIS A 50 1.156 19.253 1.798 1.00 52.20 H new ATOM 845 N GLU A 51 4.502 14.049 -1.085 1.00 45.42 N ATOM 846 CA GLU A 51 3.998 13.765 -2.414 1.00 23.33 C ATOM 847 C GLU A 51 2.903 12.712 -2.312 1.00 40.41 C ATOM 848 O GLU A 51 1.954 12.700 -3.099 1.00 24.13 O ATOM 849 CB GLU A 51 5.126 13.263 -3.311 1.00 74.32 C ATOM 850 CG GLU A 51 4.989 13.685 -4.762 1.00 73.32 C ATOM 851 CD GLU A 51 6.082 13.110 -5.633 1.00 15.14 C ATOM 852 OE1 GLU A 51 7.263 13.192 -5.244 1.00 25.22 O ATOM 853 OE2 GLU A 51 5.764 12.577 -6.715 1.00 15.51 O ATOM 0 H GLU A 51 5.366 13.561 -0.851 1.00 45.42 H new ATOM 0 HA GLU A 51 3.592 14.677 -2.852 1.00 23.33 H new ATOM 0 HB2 GLU A 51 6.076 13.630 -2.924 1.00 74.32 H new ATOM 0 HB3 GLU A 51 5.161 12.175 -3.261 1.00 74.32 H new ATOM 0 HG2 GLU A 51 4.019 13.364 -5.141 1.00 73.32 H new ATOM 0 HG3 GLU A 51 5.012 14.773 -4.825 1.00 73.32 H new ATOM 860 N LEU A 52 3.041 11.837 -1.316 1.00 13.11 N ATOM 861 CA LEU A 52 2.052 10.805 -1.046 1.00 12.33 C ATOM 862 C LEU A 52 0.823 11.447 -0.401 1.00 51.31 C ATOM 863 O LEU A 52 0.706 11.515 0.822 1.00 71.44 O ATOM 864 CB LEU A 52 2.656 9.730 -0.127 1.00 4.40 C ATOM 865 CG LEU A 52 2.167 8.293 -0.352 1.00 41.22 C ATOM 866 CD1 LEU A 52 0.674 8.171 -0.110 1.00 33.02 C ATOM 867 CD2 LEU A 52 2.520 7.828 -1.758 1.00 11.43 C ATOM 0 H LEU A 52 3.838 11.827 -0.680 1.00 13.11 H new ATOM 0 HA LEU A 52 1.752 10.325 -1.977 1.00 12.33 H new ATOM 0 HB2 LEU A 52 3.739 9.746 -0.247 1.00 4.40 H new ATOM 0 HB3 LEU A 52 2.446 10.005 0.906 1.00 4.40 H new ATOM 0 HG LEU A 52 2.673 7.650 0.369 1.00 41.22 H new ATOM 0 HD11 LEU A 52 0.361 7.140 -0.278 1.00 33.02 H new ATOM 0 HD12 LEU A 52 0.447 8.456 0.917 1.00 33.02 H new ATOM 0 HD13 LEU A 52 0.139 8.829 -0.795 1.00 33.02 H new ATOM 0 HD21 LEU A 52 2.167 6.807 -1.903 1.00 11.43 H new ATOM 0 HD22 LEU A 52 2.045 8.483 -2.488 1.00 11.43 H new ATOM 0 HD23 LEU A 52 3.601 7.860 -1.891 1.00 11.43 H new ATOM 879 N THR A 53 -0.071 11.945 -1.238 1.00 34.14 N ATOM 880 CA THR A 53 -1.228 12.697 -0.776 1.00 53.22 C ATOM 881 C THR A 53 -2.505 12.232 -1.468 1.00 14.50 C ATOM 882 O THR A 53 -2.476 11.294 -2.268 1.00 2.23 O ATOM 883 CB THR A 53 -1.025 14.201 -1.039 1.00 4.50 C ATOM 884 OG1 THR A 53 -0.451 14.392 -2.340 1.00 31.15 O ATOM 885 CG2 THR A 53 -0.128 14.827 0.019 1.00 23.10 C ATOM 0 H THR A 53 -0.017 11.841 -2.251 1.00 34.14 H new ATOM 0 HA THR A 53 -1.330 12.521 0.295 1.00 53.22 H new ATOM 0 HB THR A 53 -1.998 14.691 -0.993 1.00 4.50 H new ATOM 0 HG1 THR A 53 -0.325 15.350 -2.504 1.00 31.15 H new ATOM 0 HG21 THR A 53 -0.003 15.889 -0.192 1.00 23.10 H new ATOM 0 HG22 THR A 53 -0.584 14.704 1.001 1.00 23.10 H new ATOM 0 HG23 THR A 53 0.846 14.337 0.007 1.00 23.10 H new ATOM 893 N GLU A 54 -3.615 12.895 -1.152 1.00 32.04 N ATOM 894 CA GLU A 54 -4.908 12.600 -1.763 1.00 23.21 C ATOM 895 C GLU A 54 -4.801 12.621 -3.284 1.00 75.41 C ATOM 896 O GLU A 54 -5.301 11.725 -3.961 1.00 71.23 O ATOM 897 CB GLU A 54 -5.951 13.611 -1.255 1.00 53.52 C ATOM 898 CG GLU A 54 -7.264 13.637 -2.029 1.00 23.12 C ATOM 899 CD GLU A 54 -7.314 14.755 -3.056 1.00 71.41 C ATOM 900 OE1 GLU A 54 -7.331 15.940 -2.645 1.00 42.11 O ATOM 901 OE2 GLU A 54 -7.337 14.463 -4.268 1.00 63.03 O ATOM 0 H GLU A 54 -3.643 13.650 -0.467 1.00 32.04 H new ATOM 0 HA GLU A 54 -5.227 11.598 -1.477 1.00 23.21 H new ATOM 0 HB2 GLU A 54 -6.169 13.390 -0.210 1.00 53.52 H new ATOM 0 HB3 GLU A 54 -5.511 14.608 -1.285 1.00 53.52 H new ATOM 0 HG2 GLU A 54 -7.404 12.680 -2.532 1.00 23.12 H new ATOM 0 HG3 GLU A 54 -8.092 13.754 -1.329 1.00 23.12 H new ATOM 908 N ASP A 55 -4.104 13.625 -3.801 1.00 42.02 N ATOM 909 CA ASP A 55 -3.900 13.779 -5.240 1.00 42.23 C ATOM 910 C ASP A 55 -3.240 12.536 -5.843 1.00 62.40 C ATOM 911 O ASP A 55 -3.599 12.100 -6.940 1.00 12.34 O ATOM 912 CB ASP A 55 -3.030 15.010 -5.503 1.00 13.12 C ATOM 913 CG ASP A 55 -2.877 15.324 -6.976 1.00 64.05 C ATOM 914 OD1 ASP A 55 -1.925 14.814 -7.605 1.00 25.44 O ATOM 915 OD2 ASP A 55 -3.696 16.101 -7.508 1.00 33.42 O ATOM 0 H ASP A 55 -3.665 14.354 -3.239 1.00 42.02 H new ATOM 0 HA ASP A 55 -4.873 13.907 -5.714 1.00 42.23 H new ATOM 0 HB2 ASP A 55 -3.467 15.871 -4.997 1.00 13.12 H new ATOM 0 HB3 ASP A 55 -2.044 14.851 -5.067 1.00 13.12 H new ATOM 920 N PHE A 56 -2.292 11.960 -5.109 1.00 52.32 N ATOM 921 CA PHE A 56 -1.579 10.772 -5.572 1.00 42.22 C ATOM 922 C PHE A 56 -2.500 9.559 -5.575 1.00 34.15 C ATOM 923 O PHE A 56 -2.618 8.858 -6.581 1.00 74.42 O ATOM 924 CB PHE A 56 -0.364 10.495 -4.679 1.00 2.12 C ATOM 925 CG PHE A 56 0.472 9.326 -5.129 1.00 42.25 C ATOM 926 CD1 PHE A 56 0.179 8.032 -4.709 1.00 22.05 C ATOM 927 CD2 PHE A 56 1.554 9.520 -5.972 1.00 14.51 C ATOM 928 CE1 PHE A 56 0.951 6.964 -5.122 1.00 12.43 C ATOM 929 CE2 PHE A 56 2.329 8.454 -6.388 1.00 13.43 C ATOM 930 CZ PHE A 56 2.026 7.174 -5.962 1.00 60.13 C ATOM 0 H PHE A 56 -1.999 12.296 -4.191 1.00 52.32 H new ATOM 0 HA PHE A 56 -1.238 10.958 -6.591 1.00 42.22 H new ATOM 0 HB2 PHE A 56 0.263 11.386 -4.648 1.00 2.12 H new ATOM 0 HB3 PHE A 56 -0.708 10.312 -3.661 1.00 2.12 H new ATOM 0 HD1 PHE A 56 -0.662 7.861 -4.053 1.00 22.05 H new ATOM 0 HD2 PHE A 56 1.795 10.517 -6.309 1.00 14.51 H new ATOM 0 HE1 PHE A 56 0.714 5.965 -4.788 1.00 12.43 H new ATOM 0 HE2 PHE A 56 3.170 8.621 -7.045 1.00 13.43 H new ATOM 0 HZ PHE A 56 2.630 6.339 -6.286 1.00 60.13 H new ATOM 940 N LEU A 57 -3.154 9.322 -4.442 1.00 20.50 N ATOM 941 CA LEU A 57 -4.063 8.192 -4.294 1.00 2.15 C ATOM 942 C LEU A 57 -5.189 8.276 -5.312 1.00 71.31 C ATOM 943 O LEU A 57 -5.623 7.261 -5.854 1.00 74.11 O ATOM 944 CB LEU A 57 -4.645 8.151 -2.874 1.00 24.33 C ATOM 945 CG LEU A 57 -3.737 7.548 -1.794 1.00 31.33 C ATOM 946 CD1 LEU A 57 -3.464 6.082 -2.083 1.00 21.24 C ATOM 947 CD2 LEU A 57 -2.429 8.310 -1.678 1.00 51.33 C ATOM 0 H LEU A 57 -3.070 9.903 -3.608 1.00 20.50 H new ATOM 0 HA LEU A 57 -3.498 7.277 -4.469 1.00 2.15 H new ATOM 0 HB2 LEU A 57 -4.902 9.168 -2.578 1.00 24.33 H new ATOM 0 HB3 LEU A 57 -5.574 7.582 -2.899 1.00 24.33 H new ATOM 0 HG LEU A 57 -4.261 7.630 -0.842 1.00 31.33 H new ATOM 0 HD11 LEU A 57 -2.818 5.672 -1.306 1.00 21.24 H new ATOM 0 HD12 LEU A 57 -4.405 5.533 -2.100 1.00 21.24 H new ATOM 0 HD13 LEU A 57 -2.972 5.987 -3.051 1.00 21.24 H new ATOM 0 HD21 LEU A 57 -1.811 7.856 -0.904 1.00 51.33 H new ATOM 0 HD22 LEU A 57 -1.901 8.274 -2.631 1.00 51.33 H new ATOM 0 HD23 LEU A 57 -2.635 9.348 -1.416 1.00 51.33 H new ATOM 959 N ARG A 58 -5.635 9.496 -5.569 1.00 1.34 N ATOM 960 CA ARG A 58 -6.694 9.758 -6.533 1.00 11.25 C ATOM 961 C ARG A 58 -6.298 9.249 -7.917 1.00 42.53 C ATOM 962 O ARG A 58 -7.026 8.473 -8.534 1.00 10.04 O ATOM 963 CB ARG A 58 -6.966 11.262 -6.585 1.00 52.25 C ATOM 964 CG ARG A 58 -8.295 11.646 -7.211 1.00 51.15 C ATOM 965 CD ARG A 58 -8.416 13.156 -7.303 1.00 13.13 C ATOM 966 NE ARG A 58 -9.777 13.600 -7.604 1.00 74.34 N ATOM 967 CZ ARG A 58 -10.078 14.471 -8.567 1.00 73.40 C ATOM 968 NH1 ARG A 58 -9.150 14.867 -9.427 1.00 22.31 N ATOM 969 NH2 ARG A 58 -11.318 14.923 -8.687 1.00 52.13 N ATOM 0 H ARG A 58 -5.273 10.334 -5.115 1.00 1.34 H new ATOM 0 HA ARG A 58 -7.597 9.233 -6.222 1.00 11.25 H new ATOM 0 HB2 ARG A 58 -6.930 11.659 -5.571 1.00 52.25 H new ATOM 0 HB3 ARG A 58 -6.164 11.743 -7.145 1.00 52.25 H new ATOM 0 HG2 ARG A 58 -8.377 11.206 -8.205 1.00 51.15 H new ATOM 0 HG3 ARG A 58 -9.115 11.244 -6.616 1.00 51.15 H new ATOM 0 HD2 ARG A 58 -8.094 13.599 -6.361 1.00 13.13 H new ATOM 0 HD3 ARG A 58 -7.740 13.523 -8.075 1.00 13.13 H new ATOM 0 HE ARG A 58 -10.541 13.221 -7.044 1.00 74.34 H new ATOM 0 HH11 ARG A 58 -8.199 14.505 -9.354 1.00 22.31 H new ATOM 0 HH12 ARG A 58 -9.387 15.534 -10.162 1.00 22.31 H new ATOM 0 HH21 ARG A 58 -12.042 14.604 -8.043 1.00 52.13 H new ATOM 0 HH22 ARG A 58 -11.549 15.590 -9.424 1.00 52.13 H new ATOM 983 N ASP A 59 -5.126 9.666 -8.382 1.00 74.14 N ATOM 984 CA ASP A 59 -4.664 9.317 -9.723 1.00 42.52 C ATOM 985 C ASP A 59 -4.288 7.843 -9.818 1.00 4.40 C ATOM 986 O ASP A 59 -4.620 7.172 -10.798 1.00 2.01 O ATOM 987 CB ASP A 59 -3.466 10.177 -10.127 1.00 44.33 C ATOM 988 CG ASP A 59 -2.997 9.874 -11.538 1.00 51.34 C ATOM 989 OD1 ASP A 59 -3.633 10.362 -12.498 1.00 54.32 O ATOM 990 OD2 ASP A 59 -2.002 9.139 -11.698 1.00 70.12 O ATOM 0 H ASP A 59 -4.477 10.247 -7.851 1.00 74.14 H new ATOM 0 HA ASP A 59 -5.490 9.509 -10.408 1.00 42.52 H new ATOM 0 HB2 ASP A 59 -3.735 11.231 -10.053 1.00 44.33 H new ATOM 0 HB3 ASP A 59 -2.646 10.008 -9.429 1.00 44.33 H new ATOM 995 N TYR A 60 -3.604 7.341 -8.794 1.00 2.41 N ATOM 996 CA TYR A 60 -3.153 5.957 -8.787 1.00 44.23 C ATOM 997 C TYR A 60 -4.352 5.013 -8.765 1.00 4.42 C ATOM 998 O TYR A 60 -4.342 3.965 -9.412 1.00 3.33 O ATOM 999 CB TYR A 60 -2.241 5.693 -7.584 1.00 11.13 C ATOM 1000 CG TYR A 60 -1.558 4.340 -7.619 1.00 31.45 C ATOM 1001 CD1 TYR A 60 -0.478 4.109 -8.463 1.00 53.42 C ATOM 1002 CD2 TYR A 60 -1.993 3.295 -6.813 1.00 75.12 C ATOM 1003 CE1 TYR A 60 0.149 2.877 -8.503 1.00 35.31 C ATOM 1004 CE2 TYR A 60 -1.372 2.059 -6.848 1.00 52.23 C ATOM 1005 CZ TYR A 60 -0.303 1.855 -7.693 1.00 41.23 C ATOM 1006 OH TYR A 60 0.316 0.625 -7.732 1.00 35.23 O ATOM 0 H TYR A 60 -3.351 7.872 -7.961 1.00 2.41 H new ATOM 0 HA TYR A 60 -2.580 5.774 -9.696 1.00 44.23 H new ATOM 0 HB2 TYR A 60 -1.480 6.472 -7.539 1.00 11.13 H new ATOM 0 HB3 TYR A 60 -2.830 5.769 -6.670 1.00 11.13 H new ATOM 0 HD1 TYR A 60 -0.122 4.906 -9.099 1.00 53.42 H new ATOM 0 HD2 TYR A 60 -2.830 3.450 -6.148 1.00 75.12 H new ATOM 0 HE1 TYR A 60 0.987 2.716 -9.164 1.00 35.31 H new ATOM 0 HE2 TYR A 60 -1.724 1.257 -6.216 1.00 52.23 H new ATOM 0 HH TYR A 60 -0.123 0.018 -7.101 1.00 35.23 H new ATOM 1016 N LEU A 61 -5.385 5.404 -8.025 1.00 23.53 N ATOM 1017 CA LEU A 61 -6.633 4.653 -7.989 1.00 31.22 C ATOM 1018 C LEU A 61 -7.229 4.564 -9.386 1.00 21.15 C ATOM 1019 O LEU A 61 -7.531 3.476 -9.876 1.00 12.23 O ATOM 1020 CB LEU A 61 -7.632 5.323 -7.040 1.00 52.21 C ATOM 1021 CG LEU A 61 -9.019 4.683 -6.989 1.00 40.23 C ATOM 1022 CD1 LEU A 61 -8.942 3.273 -6.424 1.00 73.21 C ATOM 1023 CD2 LEU A 61 -9.966 5.539 -6.163 1.00 10.15 C ATOM 0 H LEU A 61 -5.381 6.240 -7.441 1.00 23.53 H new ATOM 0 HA LEU A 61 -6.422 3.647 -7.625 1.00 31.22 H new ATOM 0 HB2 LEU A 61 -7.211 5.318 -6.035 1.00 52.21 H new ATOM 0 HB3 LEU A 61 -7.743 6.367 -7.334 1.00 52.21 H new ATOM 0 HG LEU A 61 -9.406 4.620 -8.006 1.00 40.23 H new ATOM 0 HD11 LEU A 61 -9.941 2.837 -6.397 1.00 73.21 H new ATOM 0 HD12 LEU A 61 -8.296 2.663 -7.056 1.00 73.21 H new ATOM 0 HD13 LEU A 61 -8.534 3.308 -5.414 1.00 73.21 H new ATOM 0 HD21 LEU A 61 -10.950 5.071 -6.136 1.00 10.15 H new ATOM 0 HD22 LEU A 61 -9.580 5.632 -5.148 1.00 10.15 H new ATOM 0 HD23 LEU A 61 -10.048 6.529 -6.613 1.00 10.15 H new ATOM 1035 N ILE A 62 -7.380 5.719 -10.022 1.00 22.33 N ATOM 1036 CA ILE A 62 -7.942 5.800 -11.367 1.00 51.22 C ATOM 1037 C ILE A 62 -7.117 4.987 -12.369 1.00 35.11 C ATOM 1038 O ILE A 62 -7.670 4.254 -13.187 1.00 13.01 O ATOM 1039 CB ILE A 62 -8.046 7.268 -11.843 1.00 2.10 C ATOM 1040 CG1 ILE A 62 -8.982 8.058 -10.921 1.00 62.43 C ATOM 1041 CG2 ILE A 62 -8.530 7.340 -13.285 1.00 61.11 C ATOM 1042 CD1 ILE A 62 -10.388 7.498 -10.846 1.00 41.54 C ATOM 0 H ILE A 62 -7.119 6.621 -9.624 1.00 22.33 H new ATOM 0 HA ILE A 62 -8.945 5.375 -11.319 1.00 51.22 H new ATOM 0 HB ILE A 62 -7.052 7.714 -11.799 1.00 2.10 H new ATOM 0 HG12 ILE A 62 -8.556 8.078 -9.918 1.00 62.43 H new ATOM 0 HG13 ILE A 62 -9.031 9.090 -11.267 1.00 62.43 H new ATOM 0 HG21 ILE A 62 -8.595 8.383 -13.595 1.00 61.11 H new ATOM 0 HG22 ILE A 62 -7.829 6.812 -13.931 1.00 61.11 H new ATOM 0 HG23 ILE A 62 -9.514 6.877 -13.362 1.00 61.11 H new ATOM 0 HD11 ILE A 62 -10.989 8.111 -10.174 1.00 41.54 H new ATOM 0 HD12 ILE A 62 -10.835 7.503 -11.840 1.00 41.54 H new ATOM 0 HD13 ILE A 62 -10.353 6.476 -10.470 1.00 41.54 H new ATOM 1054 N TYR A 63 -5.799 5.111 -12.290 1.00 41.33 N ATOM 1055 CA TYR A 63 -4.899 4.370 -13.171 1.00 13.11 C ATOM 1056 C TYR A 63 -5.085 2.867 -12.982 1.00 20.14 C ATOM 1057 O TYR A 63 -5.154 2.104 -13.947 1.00 44.03 O ATOM 1058 CB TYR A 63 -3.447 4.763 -12.873 1.00 4.03 C ATOM 1059 CG TYR A 63 -2.431 4.192 -13.839 1.00 23.11 C ATOM 1060 CD1 TYR A 63 -1.914 2.916 -13.660 1.00 44.44 C ATOM 1061 CD2 TYR A 63 -1.984 4.935 -14.924 1.00 62.51 C ATOM 1062 CE1 TYR A 63 -0.984 2.396 -14.535 1.00 20.30 C ATOM 1063 CE2 TYR A 63 -1.053 4.419 -15.805 1.00 71.51 C ATOM 1064 CZ TYR A 63 -0.556 3.149 -15.606 1.00 60.04 C ATOM 1065 OH TYR A 63 0.371 2.625 -16.478 1.00 54.53 O ATOM 0 H TYR A 63 -5.325 5.720 -11.623 1.00 41.33 H new ATOM 0 HA TYR A 63 -5.134 4.619 -14.206 1.00 13.11 H new ATOM 0 HB2 TYR A 63 -3.369 5.850 -12.884 1.00 4.03 H new ATOM 0 HB3 TYR A 63 -3.195 4.435 -11.865 1.00 4.03 H new ATOM 0 HD1 TYR A 63 -2.246 2.321 -12.822 1.00 44.44 H new ATOM 0 HD2 TYR A 63 -2.370 5.931 -15.081 1.00 62.51 H new ATOM 0 HE1 TYR A 63 -0.592 1.401 -14.381 1.00 20.30 H new ATOM 0 HE2 TYR A 63 -0.716 5.008 -16.645 1.00 71.51 H new ATOM 0 HH TYR A 63 0.567 3.280 -17.180 1.00 54.53 H new ATOM 1075 N MET A 64 -5.187 2.461 -11.731 1.00 54.22 N ATOM 1076 CA MET A 64 -5.317 1.057 -11.379 1.00 43.54 C ATOM 1077 C MET A 64 -6.669 0.501 -11.808 1.00 14.02 C ATOM 1078 O MET A 64 -6.754 -0.608 -12.341 1.00 20.05 O ATOM 1079 CB MET A 64 -5.123 0.903 -9.873 1.00 14.21 C ATOM 1080 CG MET A 64 -5.186 -0.530 -9.376 1.00 71.20 C ATOM 1081 SD MET A 64 -4.131 -0.807 -7.935 1.00 72.44 S ATOM 1082 CE MET A 64 -4.579 0.574 -6.886 1.00 14.53 C ATOM 0 H MET A 64 -5.182 3.093 -10.930 1.00 54.22 H new ATOM 0 HA MET A 64 -4.552 0.487 -11.907 1.00 43.54 H new ATOM 0 HB2 MET A 64 -4.158 1.328 -9.598 1.00 14.21 H new ATOM 0 HB3 MET A 64 -5.886 1.487 -9.359 1.00 14.21 H new ATOM 0 HG2 MET A 64 -6.216 -0.778 -9.122 1.00 71.20 H new ATOM 0 HG3 MET A 64 -4.885 -1.203 -10.178 1.00 71.20 H new ATOM 0 HE1 MET A 64 -3.685 0.971 -6.405 1.00 14.53 H new ATOM 0 HE2 MET A 64 -5.043 1.354 -7.490 1.00 14.53 H new ATOM 0 HE3 MET A 64 -5.282 0.239 -6.124 1.00 14.53 H new ATOM 1092 N LYS A 65 -7.720 1.276 -11.594 1.00 14.54 N ATOM 1093 CA LYS A 65 -9.070 0.819 -11.907 1.00 3.12 C ATOM 1094 C LYS A 65 -9.349 0.852 -13.413 1.00 24.43 C ATOM 1095 O LYS A 65 -10.308 0.238 -13.883 1.00 0.50 O ATOM 1096 CB LYS A 65 -10.118 1.627 -11.123 1.00 71.44 C ATOM 1097 CG LYS A 65 -10.231 3.096 -11.510 1.00 62.42 C ATOM 1098 CD LYS A 65 -11.295 3.325 -12.573 1.00 35.20 C ATOM 1099 CE LYS A 65 -12.658 2.828 -12.114 1.00 24.22 C ATOM 1100 NZ LYS A 65 -13.736 3.206 -13.062 1.00 14.44 N ATOM 0 H LYS A 65 -7.669 2.219 -11.208 1.00 14.54 H new ATOM 0 HA LYS A 65 -9.145 -0.222 -11.594 1.00 3.12 H new ATOM 0 HB2 LYS A 65 -11.092 1.157 -11.259 1.00 71.44 H new ATOM 0 HB3 LYS A 65 -9.880 1.565 -10.061 1.00 71.44 H new ATOM 0 HG2 LYS A 65 -10.469 3.687 -10.625 1.00 62.42 H new ATOM 0 HG3 LYS A 65 -9.268 3.449 -11.879 1.00 62.42 H new ATOM 0 HD2 LYS A 65 -11.354 4.388 -12.807 1.00 35.20 H new ATOM 0 HD3 LYS A 65 -11.010 2.812 -13.491 1.00 35.20 H new ATOM 0 HE2 LYS A 65 -12.632 1.743 -12.009 1.00 24.22 H new ATOM 0 HE3 LYS A 65 -12.881 3.239 -11.129 1.00 24.22 H new ATOM 0 HZ1 LYS A 65 -14.648 2.848 -12.712 1.00 14.44 H new ATOM 0 HZ2 LYS A 65 -13.779 4.242 -13.144 1.00 14.44 H new ATOM 0 HZ3 LYS A 65 -13.538 2.793 -13.996 1.00 14.44 H new ATOM 1114 N LYS A 66 -8.516 1.561 -14.167 1.00 4.24 N ATOM 1115 CA LYS A 66 -8.663 1.608 -15.615 1.00 24.30 C ATOM 1116 C LYS A 66 -7.699 0.646 -16.300 1.00 51.32 C ATOM 1117 O LYS A 66 -8.114 -0.309 -16.957 1.00 2.52 O ATOM 1118 CB LYS A 66 -8.402 3.018 -16.146 1.00 44.32 C ATOM 1119 CG LYS A 66 -9.500 4.025 -15.848 1.00 5.51 C ATOM 1120 CD LYS A 66 -9.193 5.359 -16.510 1.00 44.04 C ATOM 1121 CE LYS A 66 -10.255 6.402 -16.214 1.00 34.43 C ATOM 1122 NZ LYS A 66 -9.951 7.694 -16.887 1.00 51.43 N ATOM 0 H LYS A 66 -7.737 2.108 -13.801 1.00 4.24 H new ATOM 0 HA LYS A 66 -9.688 1.314 -15.839 1.00 24.30 H new ATOM 0 HB2 LYS A 66 -7.468 3.384 -15.720 1.00 44.32 H new ATOM 0 HB3 LYS A 66 -8.261 2.964 -17.226 1.00 44.32 H new ATOM 0 HG2 LYS A 66 -10.457 3.646 -16.207 1.00 5.51 H new ATOM 0 HG3 LYS A 66 -9.595 4.160 -14.771 1.00 5.51 H new ATOM 0 HD2 LYS A 66 -8.225 5.720 -16.164 1.00 44.04 H new ATOM 0 HD3 LYS A 66 -9.114 5.218 -17.588 1.00 44.04 H new ATOM 0 HE2 LYS A 66 -11.227 6.037 -16.546 1.00 34.43 H new ATOM 0 HE3 LYS A 66 -10.323 6.558 -15.137 1.00 34.43 H new ATOM 0 HZ1 LYS A 66 -10.696 8.385 -16.664 1.00 51.43 H new ATOM 0 HZ2 LYS A 66 -9.034 8.053 -16.552 1.00 51.43 H new ATOM 0 HZ3 LYS A 66 -9.910 7.548 -17.916 1.00 51.43 H new ATOM 1136 N THR A 67 -6.412 0.903 -16.133 1.00 45.22 N ATOM 1137 CA THR A 67 -5.380 0.179 -16.858 1.00 23.24 C ATOM 1138 C THR A 67 -5.164 -1.227 -16.299 1.00 1.21 C ATOM 1139 O THR A 67 -5.058 -2.192 -17.056 1.00 22.25 O ATOM 1140 CB THR A 67 -4.051 0.960 -16.829 1.00 54.21 C ATOM 1141 OG1 THR A 67 -4.253 2.275 -17.367 1.00 75.14 O ATOM 1142 CG2 THR A 67 -2.974 0.240 -17.629 1.00 62.11 C ATOM 0 H THR A 67 -6.055 1.614 -15.496 1.00 45.22 H new ATOM 0 HA THR A 67 -5.723 0.080 -17.888 1.00 23.24 H new ATOM 0 HB THR A 67 -3.718 1.031 -15.793 1.00 54.21 H new ATOM 0 HG1 THR A 67 -3.408 2.770 -17.346 1.00 75.14 H new ATOM 0 HG21 THR A 67 -2.048 0.814 -17.591 1.00 62.11 H new ATOM 0 HG22 THR A 67 -2.806 -0.750 -17.204 1.00 62.11 H new ATOM 0 HG23 THR A 67 -3.296 0.140 -18.665 1.00 62.11 H new ATOM 1150 N LEU A 68 -5.126 -1.349 -14.977 1.00 44.21 N ATOM 1151 CA LEU A 68 -4.823 -2.632 -14.350 1.00 1.42 C ATOM 1152 C LEU A 68 -6.035 -3.557 -14.358 1.00 33.12 C ATOM 1153 O LEU A 68 -5.969 -4.677 -13.856 1.00 54.42 O ATOM 1154 CB LEU A 68 -4.301 -2.436 -12.925 1.00 23.24 C ATOM 1155 CG LEU A 68 -2.964 -1.692 -12.830 1.00 73.11 C ATOM 1156 CD1 LEU A 68 -2.481 -1.634 -11.391 1.00 44.30 C ATOM 1157 CD2 LEU A 68 -1.920 -2.360 -13.714 1.00 30.40 C ATOM 0 H LEU A 68 -5.299 -0.585 -14.324 1.00 44.21 H new ATOM 0 HA LEU A 68 -4.038 -3.107 -14.939 1.00 1.42 H new ATOM 0 HB2 LEU A 68 -5.048 -1.888 -12.351 1.00 23.24 H new ATOM 0 HB3 LEU A 68 -4.192 -3.413 -12.455 1.00 23.24 H new ATOM 0 HG LEU A 68 -3.116 -0.671 -13.181 1.00 73.11 H new ATOM 0 HD11 LEU A 68 -1.531 -1.102 -11.347 1.00 44.30 H new ATOM 0 HD12 LEU A 68 -3.218 -1.112 -10.781 1.00 44.30 H new ATOM 0 HD13 LEU A 68 -2.347 -2.647 -11.011 1.00 44.30 H new ATOM 0 HD21 LEU A 68 -0.977 -1.820 -13.635 1.00 30.40 H new ATOM 0 HD22 LEU A 68 -1.776 -3.391 -13.391 1.00 30.40 H new ATOM 0 HD23 LEU A 68 -2.259 -2.348 -14.750 1.00 30.40 H new ATOM 1169 N CYS A 69 -7.139 -3.067 -14.921 1.00 3.32 N ATOM 1170 CA CYS A 69 -8.328 -3.884 -15.172 1.00 44.35 C ATOM 1171 C CYS A 69 -8.936 -4.433 -13.880 1.00 14.42 C ATOM 1172 O CYS A 69 -9.586 -5.481 -13.879 1.00 32.21 O ATOM 1173 CB CYS A 69 -7.975 -5.028 -16.129 1.00 34.13 C ATOM 1174 SG CYS A 69 -7.217 -4.473 -17.681 1.00 61.01 S ATOM 0 H CYS A 69 -7.235 -2.095 -15.216 1.00 3.32 H new ATOM 0 HA CYS A 69 -9.082 -3.244 -15.630 1.00 44.35 H new ATOM 0 HB2 CYS A 69 -7.292 -5.713 -15.626 1.00 34.13 H new ATOM 0 HB3 CYS A 69 -8.880 -5.591 -16.358 1.00 34.13 H new ATOM 0 HG CYS A 69 -6.327 -3.560 -17.427 1.00 61.01 H new ATOM 1180 N ASN A 70 -8.748 -3.711 -12.785 1.00 44.22 N ATOM 1181 CA ASN A 70 -9.352 -4.087 -11.515 1.00 22.44 C ATOM 1182 C ASN A 70 -10.235 -2.963 -11.013 1.00 51.51 C ATOM 1183 O ASN A 70 -9.994 -1.801 -11.317 1.00 53.43 O ATOM 1184 CB ASN A 70 -8.289 -4.420 -10.464 1.00 31.10 C ATOM 1185 CG ASN A 70 -7.706 -5.808 -10.644 1.00 52.12 C ATOM 1186 OD1 ASN A 70 -8.241 -6.786 -10.125 1.00 32.13 O ATOM 1187 ND2 ASN A 70 -6.611 -5.909 -11.379 1.00 44.54 N ATOM 0 H ASN A 70 -8.183 -2.863 -12.750 1.00 44.22 H new ATOM 0 HA ASN A 70 -9.953 -4.981 -11.681 1.00 22.44 H new ATOM 0 HB2 ASN A 70 -7.487 -3.683 -10.517 1.00 31.10 H new ATOM 0 HB3 ASN A 70 -8.729 -4.341 -9.470 1.00 31.10 H new ATOM 0 HD21 ASN A 70 -6.181 -6.822 -11.531 1.00 44.54 H new ATOM 0 HD22 ASN A 70 -6.196 -5.074 -11.793 1.00 44.54 H new ATOM 1194 N ALA A 71 -11.258 -3.307 -10.257 1.00 20.13 N ATOM 1195 CA ALA A 71 -12.181 -2.312 -9.735 1.00 72.43 C ATOM 1196 C ALA A 71 -11.602 -1.626 -8.505 1.00 43.51 C ATOM 1197 O ALA A 71 -10.621 -2.098 -7.922 1.00 64.53 O ATOM 1198 CB ALA A 71 -13.517 -2.953 -9.401 1.00 11.51 C ATOM 0 H ALA A 71 -11.474 -4.267 -9.989 1.00 20.13 H new ATOM 0 HA ALA A 71 -12.337 -1.557 -10.505 1.00 72.43 H new ATOM 0 HB1 ALA A 71 -14.197 -2.195 -9.011 1.00 11.51 H new ATOM 0 HB2 ALA A 71 -13.944 -3.395 -10.301 1.00 11.51 H new ATOM 0 HB3 ALA A 71 -13.370 -3.729 -8.650 1.00 11.51 H new ATOM 1204 N ASP A 72 -12.223 -0.520 -8.106 1.00 3.35 N ATOM 1205 CA ASP A 72 -11.794 0.236 -6.932 1.00 41.01 C ATOM 1206 C ASP A 72 -11.819 -0.630 -5.681 1.00 43.33 C ATOM 1207 O ASP A 72 -10.962 -0.495 -4.815 1.00 52.32 O ATOM 1208 CB ASP A 72 -12.681 1.468 -6.728 1.00 54.04 C ATOM 1209 CG ASP A 72 -14.159 1.137 -6.774 1.00 64.13 C ATOM 1210 OD1 ASP A 72 -14.690 0.934 -7.888 1.00 41.23 O ATOM 1211 OD2 ASP A 72 -14.792 1.064 -5.702 1.00 3.55 O ATOM 0 H ASP A 72 -13.033 -0.124 -8.583 1.00 3.35 H new ATOM 0 HA ASP A 72 -10.769 0.562 -7.107 1.00 41.01 H new ATOM 0 HB2 ASP A 72 -12.445 1.926 -5.767 1.00 54.04 H new ATOM 0 HB3 ASP A 72 -12.454 2.206 -7.497 1.00 54.04 H new ATOM 1216 N SER A 73 -12.787 -1.534 -5.607 1.00 42.40 N ATOM 1217 CA SER A 73 -12.900 -2.450 -4.480 1.00 1.12 C ATOM 1218 C SER A 73 -11.609 -3.255 -4.301 1.00 33.11 C ATOM 1219 O SER A 73 -11.162 -3.491 -3.177 1.00 12.41 O ATOM 1220 CB SER A 73 -14.094 -3.378 -4.695 1.00 44.22 C ATOM 1221 OG SER A 73 -15.269 -2.625 -4.953 1.00 12.14 O ATOM 0 H SER A 73 -13.509 -1.653 -6.318 1.00 42.40 H new ATOM 0 HA SER A 73 -13.058 -1.874 -3.568 1.00 1.12 H new ATOM 0 HB2 SER A 73 -13.895 -4.049 -5.530 1.00 44.22 H new ATOM 0 HB3 SER A 73 -14.241 -4.001 -3.813 1.00 44.22 H new ATOM 0 HG SER A 73 -16.024 -3.234 -5.090 1.00 12.14 H new ATOM 1227 N THR A 74 -10.999 -3.648 -5.414 1.00 2.14 N ATOM 1228 CA THR A 74 -9.737 -4.366 -5.382 1.00 4.04 C ATOM 1229 C THR A 74 -8.579 -3.389 -5.182 1.00 61.44 C ATOM 1230 O THR A 74 -7.673 -3.630 -4.384 1.00 44.12 O ATOM 1231 CB THR A 74 -9.515 -5.152 -6.689 1.00 54.41 C ATOM 1232 OG1 THR A 74 -10.682 -5.923 -7.005 1.00 51.43 O ATOM 1233 CG2 THR A 74 -8.313 -6.078 -6.573 1.00 31.04 C ATOM 0 H THR A 74 -11.363 -3.479 -6.352 1.00 2.14 H new ATOM 0 HA THR A 74 -9.774 -5.069 -4.549 1.00 4.04 H new ATOM 0 HB THR A 74 -9.325 -4.432 -7.485 1.00 54.41 H new ATOM 0 HG1 THR A 74 -10.532 -6.417 -7.838 1.00 51.43 H new ATOM 0 HG21 THR A 74 -8.180 -6.620 -7.509 1.00 31.04 H new ATOM 0 HG22 THR A 74 -7.419 -5.490 -6.364 1.00 31.04 H new ATOM 0 HG23 THR A 74 -8.478 -6.788 -5.763 1.00 31.04 H new ATOM 1241 N ALA A 75 -8.641 -2.274 -5.901 1.00 52.13 N ATOM 1242 CA ALA A 75 -7.592 -1.259 -5.872 1.00 22.34 C ATOM 1243 C ALA A 75 -7.387 -0.693 -4.470 1.00 63.42 C ATOM 1244 O ALA A 75 -6.264 -0.393 -4.072 1.00 65.12 O ATOM 1245 CB ALA A 75 -7.929 -0.141 -6.847 1.00 52.02 C ATOM 0 H ALA A 75 -9.419 -2.047 -6.520 1.00 52.13 H new ATOM 0 HA ALA A 75 -6.658 -1.735 -6.171 1.00 22.34 H new ATOM 0 HB1 ALA A 75 -7.143 0.614 -6.821 1.00 52.02 H new ATOM 0 HB2 ALA A 75 -8.008 -0.549 -7.855 1.00 52.02 H new ATOM 0 HB3 ALA A 75 -8.878 0.314 -6.565 1.00 52.02 H new ATOM 1251 N GLN A 76 -8.475 -0.559 -3.723 1.00 11.41 N ATOM 1252 CA GLN A 76 -8.422 -0.051 -2.367 1.00 43.44 C ATOM 1253 C GLN A 76 -7.569 -0.940 -1.473 1.00 21.44 C ATOM 1254 O GLN A 76 -6.900 -0.452 -0.566 1.00 61.23 O ATOM 1255 CB GLN A 76 -9.840 0.068 -1.822 1.00 44.23 C ATOM 1256 CG GLN A 76 -10.596 1.272 -2.367 1.00 42.42 C ATOM 1257 CD GLN A 76 -10.016 2.588 -1.888 1.00 63.43 C ATOM 1258 OE1 GLN A 76 -9.450 2.670 -0.799 1.00 54.34 O ATOM 1259 NE2 GLN A 76 -10.152 3.627 -2.696 1.00 32.42 N ATOM 0 H GLN A 76 -9.413 -0.799 -4.042 1.00 11.41 H new ATOM 0 HA GLN A 76 -7.954 0.934 -2.378 1.00 43.44 H new ATOM 0 HB2 GLN A 76 -10.393 -0.840 -2.065 1.00 44.23 H new ATOM 0 HB3 GLN A 76 -9.799 0.135 -0.735 1.00 44.23 H new ATOM 0 HG2 GLN A 76 -10.577 1.246 -3.457 1.00 42.42 H new ATOM 0 HG3 GLN A 76 -11.641 1.208 -2.064 1.00 42.42 H new ATOM 0 HE21 GLN A 76 -10.628 3.518 -3.591 1.00 32.42 H new ATOM 0 HE22 GLN A 76 -9.781 4.537 -2.423 1.00 32.42 H new ATOM 1268 N ARG A 77 -7.576 -2.239 -1.742 1.00 33.31 N ATOM 1269 CA ARG A 77 -6.729 -3.172 -1.004 1.00 4.33 C ATOM 1270 C ARG A 77 -5.262 -2.927 -1.335 1.00 42.25 C ATOM 1271 O ARG A 77 -4.403 -2.981 -0.456 1.00 44.04 O ATOM 1272 CB ARG A 77 -7.096 -4.629 -1.312 1.00 63.45 C ATOM 1273 CG ARG A 77 -8.170 -5.206 -0.401 1.00 4.22 C ATOM 1274 CD ARG A 77 -9.510 -4.510 -0.573 1.00 74.02 C ATOM 1275 NE ARG A 77 -10.514 -5.019 0.363 1.00 13.42 N ATOM 1276 CZ ARG A 77 -11.785 -4.621 0.385 1.00 0.51 C ATOM 1277 NH1 ARG A 77 -12.233 -3.771 -0.531 1.00 3.34 N ATOM 1278 NH2 ARG A 77 -12.614 -5.096 1.310 1.00 33.23 N ATOM 0 H ARG A 77 -8.155 -2.671 -2.462 1.00 33.31 H new ATOM 0 HA ARG A 77 -6.894 -2.999 0.059 1.00 4.33 H new ATOM 0 HB2 ARG A 77 -7.437 -4.696 -2.345 1.00 63.45 H new ATOM 0 HB3 ARG A 77 -6.199 -5.243 -1.232 1.00 63.45 H new ATOM 0 HG2 ARG A 77 -8.287 -6.270 -0.609 1.00 4.22 H new ATOM 0 HG3 ARG A 77 -7.848 -5.118 0.637 1.00 4.22 H new ATOM 0 HD2 ARG A 77 -9.384 -3.438 -0.423 1.00 74.02 H new ATOM 0 HD3 ARG A 77 -9.863 -4.649 -1.595 1.00 74.02 H new ATOM 0 HE ARG A 77 -10.222 -5.723 1.041 1.00 13.42 H new ATOM 0 HH11 ARG A 77 -11.604 -3.421 -1.254 1.00 3.34 H new ATOM 0 HH12 ARG A 77 -13.207 -3.468 -0.512 1.00 3.34 H new ATOM 0 HH21 ARG A 77 -12.276 -5.765 2.002 1.00 33.23 H new ATOM 0 HH22 ARG A 77 -13.587 -4.792 1.327 1.00 33.23 H new ATOM 1292 N ASN A 78 -4.992 -2.631 -2.601 1.00 10.20 N ATOM 1293 CA ASN A 78 -3.639 -2.352 -3.061 1.00 1.25 C ATOM 1294 C ASN A 78 -3.169 -1.005 -2.509 1.00 33.15 C ATOM 1295 O ASN A 78 -1.972 -0.752 -2.370 1.00 33.44 O ATOM 1296 CB ASN A 78 -3.620 -2.360 -4.596 1.00 13.02 C ATOM 1297 CG ASN A 78 -2.237 -2.567 -5.192 1.00 72.52 C ATOM 1298 OD1 ASN A 78 -1.221 -2.023 -4.560 1.00 12.53 O flip ATOM 1299 ND2 ASN A 78 -2.090 -3.211 -6.230 1.00 13.41 N flip ATOM 0 H ASN A 78 -5.701 -2.578 -3.333 1.00 10.20 H new ATOM 0 HA ASN A 78 -2.955 -3.119 -2.698 1.00 1.25 H new ATOM 0 HB2 ASN A 78 -4.281 -3.149 -4.954 1.00 13.02 H new ATOM 0 HB3 ASN A 78 -4.024 -1.415 -4.960 1.00 13.02 H new ATOM 0 HD21 ASN A 78 -2.900 -3.620 -6.695 1.00 13.41 H new ATOM 0 HD22 ASN A 78 -1.158 -3.336 -6.625 1.00 13.41 H new ATOM 1306 N LEU A 79 -4.116 -0.139 -2.191 1.00 42.41 N ATOM 1307 CA LEU A 79 -3.805 1.138 -1.568 1.00 14.45 C ATOM 1308 C LEU A 79 -3.601 0.959 -0.067 1.00 4.45 C ATOM 1309 O LEU A 79 -2.780 1.640 0.551 1.00 43.22 O ATOM 1310 CB LEU A 79 -4.926 2.147 -1.833 1.00 3.03 C ATOM 1311 CG LEU A 79 -5.125 2.530 -3.301 1.00 52.53 C ATOM 1312 CD1 LEU A 79 -6.266 3.527 -3.443 1.00 35.24 C ATOM 1313 CD2 LEU A 79 -3.843 3.102 -3.878 1.00 21.33 C ATOM 0 H LEU A 79 -5.110 -0.297 -2.354 1.00 42.41 H new ATOM 0 HA LEU A 79 -2.882 1.520 -2.003 1.00 14.45 H new ATOM 0 HB2 LEU A 79 -5.861 1.736 -1.452 1.00 3.03 H new ATOM 0 HB3 LEU A 79 -4.720 3.053 -1.263 1.00 3.03 H new ATOM 0 HG LEU A 79 -5.384 1.631 -3.860 1.00 52.53 H new ATOM 0 HD11 LEU A 79 -6.393 3.788 -4.494 1.00 35.24 H new ATOM 0 HD12 LEU A 79 -7.187 3.082 -3.066 1.00 35.24 H new ATOM 0 HD13 LEU A 79 -6.037 4.426 -2.871 1.00 35.24 H new ATOM 0 HD21 LEU A 79 -4.002 3.369 -4.923 1.00 21.33 H new ATOM 0 HD22 LEU A 79 -3.556 3.990 -3.316 1.00 21.33 H new ATOM 0 HD23 LEU A 79 -3.050 2.358 -3.810 1.00 21.33 H new ATOM 1325 N SER A 80 -4.340 0.021 0.508 1.00 30.43 N ATOM 1326 CA SER A 80 -4.275 -0.242 1.941 1.00 5.23 C ATOM 1327 C SER A 80 -2.930 -0.850 2.350 1.00 11.45 C ATOM 1328 O SER A 80 -2.523 -0.744 3.508 1.00 52.34 O ATOM 1329 CB SER A 80 -5.422 -1.163 2.357 1.00 32.25 C ATOM 1330 OG SER A 80 -6.677 -0.570 2.059 1.00 32.14 O ATOM 0 H SER A 80 -4.996 -0.574 0.002 1.00 30.43 H new ATOM 0 HA SER A 80 -4.372 0.713 2.458 1.00 5.23 H new ATOM 0 HB2 SER A 80 -5.334 -2.118 1.839 1.00 32.25 H new ATOM 0 HB3 SER A 80 -5.358 -1.372 3.425 1.00 32.25 H new ATOM 0 HG SER A 80 -6.904 -0.738 1.121 1.00 32.14 H new ATOM 1336 N THR A 81 -2.237 -1.483 1.411 1.00 35.13 N ATOM 1337 CA THR A 81 -0.911 -2.011 1.692 1.00 21.31 C ATOM 1338 C THR A 81 0.103 -0.873 1.785 1.00 64.22 C ATOM 1339 O THR A 81 1.007 -0.895 2.622 1.00 51.14 O ATOM 1340 CB THR A 81 -0.469 -3.031 0.628 1.00 65.14 C ATOM 1341 OG1 THR A 81 -0.799 -2.547 -0.678 1.00 14.21 O ATOM 1342 CG2 THR A 81 -1.134 -4.381 0.861 1.00 60.23 C ATOM 0 H THR A 81 -2.568 -1.641 0.459 1.00 35.13 H new ATOM 0 HA THR A 81 -0.957 -2.529 2.650 1.00 21.31 H new ATOM 0 HB THR A 81 0.611 -3.160 0.705 1.00 65.14 H new ATOM 0 HG1 THR A 81 0.024 -2.360 -1.175 1.00 14.21 H new ATOM 0 HG21 THR A 81 -0.806 -5.085 0.096 1.00 60.23 H new ATOM 0 HG22 THR A 81 -0.856 -4.758 1.845 1.00 60.23 H new ATOM 0 HG23 THR A 81 -2.217 -4.267 0.809 1.00 60.23 H new ATOM 1350 N ILE A 82 -0.075 0.136 0.938 1.00 44.30 N ATOM 1351 CA ILE A 82 0.741 1.344 0.994 1.00 51.13 C ATOM 1352 C ILE A 82 0.457 2.098 2.292 1.00 71.31 C ATOM 1353 O ILE A 82 1.342 2.731 2.866 1.00 42.31 O ATOM 1354 CB ILE A 82 0.473 2.260 -0.226 1.00 44.50 C ATOM 1355 CG1 ILE A 82 0.916 1.563 -1.514 1.00 42.02 C ATOM 1356 CG2 ILE A 82 1.192 3.597 -0.076 1.00 32.21 C ATOM 1357 CD1 ILE A 82 0.500 2.291 -2.775 1.00 53.13 C ATOM 0 H ILE A 82 -0.781 0.141 0.201 1.00 44.30 H new ATOM 0 HA ILE A 82 1.790 1.050 0.967 1.00 51.13 H new ATOM 0 HB ILE A 82 -0.598 2.456 -0.277 1.00 44.50 H new ATOM 0 HG12 ILE A 82 2.001 1.460 -1.506 1.00 42.02 H new ATOM 0 HG13 ILE A 82 0.500 0.556 -1.533 1.00 42.02 H new ATOM 0 HG21 ILE A 82 0.987 4.220 -0.946 1.00 32.21 H new ATOM 0 HG22 ILE A 82 0.838 4.101 0.823 1.00 32.21 H new ATOM 0 HG23 ILE A 82 2.266 3.426 0.002 1.00 32.21 H new ATOM 0 HD11 ILE A 82 0.849 1.737 -3.647 1.00 53.13 H new ATOM 0 HD12 ILE A 82 -0.587 2.371 -2.807 1.00 53.13 H new ATOM 0 HD13 ILE A 82 0.938 3.289 -2.780 1.00 53.13 H new ATOM 1369 N LYS A 83 -0.785 2.003 2.759 1.00 74.04 N ATOM 1370 CA LYS A 83 -1.192 2.630 4.014 1.00 25.03 C ATOM 1371 C LYS A 83 -0.387 2.059 5.178 1.00 52.15 C ATOM 1372 O LYS A 83 -0.105 2.766 6.136 1.00 52.15 O ATOM 1373 CB LYS A 83 -2.702 2.443 4.237 1.00 23.14 C ATOM 1374 CG LYS A 83 -3.370 3.581 5.006 1.00 51.11 C ATOM 1375 CD LYS A 83 -3.128 3.491 6.504 1.00 74.44 C ATOM 1376 CE LYS A 83 -3.556 4.763 7.222 1.00 24.44 C ATOM 1377 NZ LYS A 83 -5.027 4.978 7.181 1.00 50.21 N ATOM 0 H LYS A 83 -1.531 1.495 2.284 1.00 74.04 H new ATOM 0 HA LYS A 83 -0.989 3.699 3.958 1.00 25.03 H new ATOM 0 HB2 LYS A 83 -3.190 2.339 3.268 1.00 23.14 H new ATOM 0 HB3 LYS A 83 -2.865 1.510 4.777 1.00 23.14 H new ATOM 0 HG2 LYS A 83 -2.993 4.535 4.637 1.00 51.11 H new ATOM 0 HG3 LYS A 83 -4.443 3.565 4.813 1.00 51.11 H new ATOM 0 HD2 LYS A 83 -3.677 2.642 6.911 1.00 74.44 H new ATOM 0 HD3 LYS A 83 -2.070 3.306 6.691 1.00 74.44 H new ATOM 0 HE2 LYS A 83 -3.229 4.717 8.261 1.00 24.44 H new ATOM 0 HE3 LYS A 83 -3.055 5.618 6.768 1.00 24.44 H new ATOM 0 HZ1 LYS A 83 -5.226 5.971 6.943 1.00 50.21 H new ATOM 0 HZ2 LYS A 83 -5.449 4.358 6.460 1.00 50.21 H new ATOM 0 HZ3 LYS A 83 -5.436 4.756 8.111 1.00 50.21 H new ATOM 1391 N ILE A 84 0.014 0.796 5.074 1.00 31.15 N ATOM 1392 CA ILE A 84 0.858 0.187 6.095 1.00 1.34 C ATOM 1393 C ILE A 84 2.231 0.868 6.121 1.00 71.41 C ATOM 1394 O ILE A 84 2.797 1.108 7.188 1.00 64.13 O ATOM 1395 CB ILE A 84 1.024 -1.334 5.858 1.00 11.14 C ATOM 1396 CG1 ILE A 84 -0.345 -2.025 5.840 1.00 55.13 C ATOM 1397 CG2 ILE A 84 1.917 -1.952 6.922 1.00 1.53 C ATOM 1398 CD1 ILE A 84 -1.144 -1.837 7.114 1.00 63.31 C ATOM 0 H ILE A 84 -0.230 0.179 4.299 1.00 31.15 H new ATOM 0 HA ILE A 84 0.369 0.326 7.059 1.00 1.34 H new ATOM 0 HB ILE A 84 1.500 -1.479 4.888 1.00 11.14 H new ATOM 0 HG12 ILE A 84 -0.924 -1.641 5.000 1.00 55.13 H new ATOM 0 HG13 ILE A 84 -0.201 -3.091 5.667 1.00 55.13 H new ATOM 0 HG21 ILE A 84 2.019 -3.021 6.735 1.00 1.53 H new ATOM 0 HG22 ILE A 84 2.900 -1.482 6.890 1.00 1.53 H new ATOM 0 HG23 ILE A 84 1.473 -1.796 7.905 1.00 1.53 H new ATOM 0 HD11 ILE A 84 -2.099 -2.355 7.024 1.00 63.31 H new ATOM 0 HD12 ILE A 84 -0.587 -2.247 7.957 1.00 63.31 H new ATOM 0 HD13 ILE A 84 -1.321 -0.774 7.279 1.00 63.31 H new ATOM 1410 N TYR A 85 2.736 1.209 4.939 1.00 44.30 N ATOM 1411 CA TYR A 85 4.012 1.910 4.813 1.00 15.21 C ATOM 1412 C TYR A 85 3.886 3.331 5.347 1.00 2.40 C ATOM 1413 O TYR A 85 4.696 3.781 6.161 1.00 25.23 O ATOM 1414 CB TYR A 85 4.458 1.938 3.344 1.00 54.01 C ATOM 1415 CG TYR A 85 5.656 2.828 3.069 1.00 21.21 C ATOM 1416 CD1 TYR A 85 6.934 2.450 3.458 1.00 74.11 C ATOM 1417 CD2 TYR A 85 5.505 4.045 2.412 1.00 64.42 C ATOM 1418 CE1 TYR A 85 8.028 3.257 3.203 1.00 63.13 C ATOM 1419 CE2 TYR A 85 6.594 4.857 2.154 1.00 5.24 C ATOM 1420 CZ TYR A 85 7.854 4.460 2.551 1.00 53.05 C ATOM 1421 OH TYR A 85 8.942 5.269 2.293 1.00 64.44 O ATOM 0 H TYR A 85 2.279 1.010 4.049 1.00 44.30 H new ATOM 0 HA TYR A 85 4.762 1.379 5.399 1.00 15.21 H new ATOM 0 HB2 TYR A 85 4.696 0.922 3.030 1.00 54.01 H new ATOM 0 HB3 TYR A 85 3.623 2.274 2.730 1.00 54.01 H new ATOM 0 HD1 TYR A 85 7.076 1.509 3.969 1.00 74.11 H new ATOM 0 HD2 TYR A 85 4.521 4.361 2.098 1.00 64.42 H new ATOM 0 HE1 TYR A 85 9.015 2.946 3.513 1.00 63.13 H new ATOM 0 HE2 TYR A 85 6.459 5.799 1.643 1.00 5.24 H new ATOM 0 HH TYR A 85 8.645 6.078 1.826 1.00 64.44 H new ATOM 1431 N VAL A 86 2.855 4.026 4.887 1.00 23.42 N ATOM 1432 CA VAL A 86 2.596 5.396 5.304 1.00 23.13 C ATOM 1433 C VAL A 86 2.374 5.474 6.812 1.00 53.32 C ATOM 1434 O VAL A 86 2.943 6.330 7.485 1.00 5.31 O ATOM 1435 CB VAL A 86 1.369 5.974 4.569 1.00 32.11 C ATOM 1436 CG1 VAL A 86 1.022 7.360 5.089 1.00 73.03 C ATOM 1437 CG2 VAL A 86 1.618 6.022 3.071 1.00 31.33 C ATOM 0 H VAL A 86 2.178 3.658 4.218 1.00 23.42 H new ATOM 0 HA VAL A 86 3.473 5.989 5.045 1.00 23.13 H new ATOM 0 HB VAL A 86 0.522 5.316 4.763 1.00 32.11 H new ATOM 0 HG11 VAL A 86 0.153 7.743 4.553 1.00 73.03 H new ATOM 0 HG12 VAL A 86 0.795 7.303 6.154 1.00 73.03 H new ATOM 0 HG13 VAL A 86 1.868 8.029 4.934 1.00 73.03 H new ATOM 0 HG21 VAL A 86 0.742 6.432 2.569 1.00 31.33 H new ATOM 0 HG22 VAL A 86 2.482 6.653 2.866 1.00 31.33 H new ATOM 0 HG23 VAL A 86 1.809 5.014 2.701 1.00 31.33 H new ATOM 1447 N SER A 87 1.560 4.565 7.329 1.00 33.31 N ATOM 1448 CA SER A 87 1.248 4.517 8.749 1.00 75.02 C ATOM 1449 C SER A 87 2.503 4.315 9.598 1.00 72.04 C ATOM 1450 O SER A 87 2.641 4.925 10.659 1.00 12.02 O ATOM 1451 CB SER A 87 0.229 3.410 9.017 1.00 24.03 C ATOM 1452 OG SER A 87 -1.070 3.947 9.199 1.00 20.40 O ATOM 0 H SER A 87 1.099 3.842 6.777 1.00 33.31 H new ATOM 0 HA SER A 87 0.818 5.477 9.035 1.00 75.02 H new ATOM 0 HB2 SER A 87 0.222 2.708 8.183 1.00 24.03 H new ATOM 0 HB3 SER A 87 0.522 2.849 9.904 1.00 24.03 H new ATOM 0 HG SER A 87 -1.704 3.219 9.367 1.00 20.40 H new ATOM 1458 N ALA A 88 3.422 3.478 9.131 1.00 53.50 N ATOM 1459 CA ALA A 88 4.686 3.275 9.832 1.00 74.34 C ATOM 1460 C ALA A 88 5.485 4.576 9.863 1.00 55.33 C ATOM 1461 O ALA A 88 6.107 4.922 10.871 1.00 3.31 O ATOM 1462 CB ALA A 88 5.489 2.166 9.170 1.00 31.45 C ATOM 0 H ALA A 88 3.318 2.932 8.276 1.00 53.50 H new ATOM 0 HA ALA A 88 4.474 2.975 10.858 1.00 74.34 H new ATOM 0 HB1 ALA A 88 6.428 2.028 9.705 1.00 31.45 H new ATOM 0 HB2 ALA A 88 4.917 1.238 9.195 1.00 31.45 H new ATOM 0 HB3 ALA A 88 5.698 2.436 8.135 1.00 31.45 H new ATOM 1468 N ALA A 89 5.430 5.303 8.753 1.00 40.55 N ATOM 1469 CA ALA A 89 6.099 6.589 8.626 1.00 5.21 C ATOM 1470 C ALA A 89 5.413 7.657 9.466 1.00 31.34 C ATOM 1471 O ALA A 89 6.005 8.688 9.780 1.00 12.11 O ATOM 1472 CB ALA A 89 6.161 7.014 7.168 1.00 61.43 C ATOM 0 H ALA A 89 4.920 5.016 7.917 1.00 40.55 H new ATOM 0 HA ALA A 89 7.116 6.475 9.000 1.00 5.21 H new ATOM 0 HB1 ALA A 89 6.664 7.978 7.091 1.00 61.43 H new ATOM 0 HB2 ALA A 89 6.713 6.269 6.595 1.00 61.43 H new ATOM 0 HB3 ALA A 89 5.150 7.100 6.771 1.00 61.43 H new ATOM 1478 N ILE A 90 4.153 7.433 9.790 1.00 12.40 N ATOM 1479 CA ILE A 90 3.416 8.368 10.619 1.00 50.34 C ATOM 1480 C ILE A 90 3.870 8.289 12.075 1.00 71.03 C ATOM 1481 O ILE A 90 4.041 9.316 12.733 1.00 22.14 O ATOM 1482 CB ILE A 90 1.892 8.117 10.550 1.00 54.22 C ATOM 1483 CG1 ILE A 90 1.377 8.315 9.127 1.00 4.24 C ATOM 1484 CG2 ILE A 90 1.147 9.037 11.510 1.00 74.02 C ATOM 1485 CD1 ILE A 90 -0.068 7.910 8.950 1.00 52.41 C ATOM 0 H ILE A 90 3.620 6.615 9.493 1.00 12.40 H new ATOM 0 HA ILE A 90 3.625 9.364 10.228 1.00 50.34 H new ATOM 0 HB ILE A 90 1.708 7.085 10.847 1.00 54.22 H new ATOM 0 HG12 ILE A 90 1.489 9.363 8.850 1.00 4.24 H new ATOM 0 HG13 ILE A 90 1.995 7.736 8.441 1.00 4.24 H new ATOM 0 HG21 ILE A 90 0.077 8.842 11.444 1.00 74.02 H new ATOM 0 HG22 ILE A 90 1.487 8.852 12.529 1.00 74.02 H new ATOM 0 HG23 ILE A 90 1.344 10.076 11.245 1.00 74.02 H new ATOM 0 HD11 ILE A 90 -0.369 8.077 7.916 1.00 52.41 H new ATOM 0 HD12 ILE A 90 -0.183 6.854 9.195 1.00 52.41 H new ATOM 0 HD13 ILE A 90 -0.697 8.506 9.611 1.00 52.41 H new ATOM 1497 N LYS A 91 4.084 7.073 12.574 1.00 72.11 N ATOM 1498 CA LYS A 91 4.415 6.893 13.985 1.00 54.41 C ATOM 1499 C LYS A 91 5.832 7.357 14.269 1.00 71.12 C ATOM 1500 O LYS A 91 6.061 8.112 15.215 1.00 21.24 O ATOM 1501 CB LYS A 91 4.267 5.430 14.417 1.00 62.35 C ATOM 1502 CG LYS A 91 2.865 5.043 14.865 1.00 21.34 C ATOM 1503 CD LYS A 91 1.932 4.773 13.696 1.00 14.02 C ATOM 1504 CE LYS A 91 0.557 4.348 14.186 1.00 23.33 C ATOM 1505 NZ LYS A 91 -0.316 3.857 13.088 1.00 74.53 N ATOM 0 H LYS A 91 4.035 6.210 12.032 1.00 72.11 H new ATOM 0 HA LYS A 91 3.712 7.498 14.558 1.00 54.41 H new ATOM 0 HB2 LYS A 91 4.560 4.788 13.586 1.00 62.35 H new ATOM 0 HB3 LYS A 91 4.963 5.233 15.233 1.00 62.35 H new ATOM 0 HG2 LYS A 91 2.921 4.154 15.493 1.00 21.34 H new ATOM 0 HG3 LYS A 91 2.450 5.842 15.479 1.00 21.34 H new ATOM 0 HD2 LYS A 91 1.843 5.669 13.082 1.00 14.02 H new ATOM 0 HD3 LYS A 91 2.353 3.993 13.062 1.00 14.02 H new ATOM 0 HE2 LYS A 91 0.669 3.563 14.934 1.00 23.33 H new ATOM 0 HE3 LYS A 91 0.074 5.192 14.679 1.00 23.33 H new ATOM 0 HZ1 LYS A 91 -1.240 3.581 13.477 1.00 74.53 H new ATOM 0 HZ2 LYS A 91 -0.448 4.612 12.385 1.00 74.53 H new ATOM 0 HZ3 LYS A 91 0.128 3.034 12.633 1.00 74.53 H new ATOM 1519 N LYS A 92 6.766 6.927 13.433 1.00 72.13 N ATOM 1520 CA LYS A 92 8.152 7.332 13.540 1.00 1.44 C ATOM 1521 C LYS A 92 8.828 7.252 12.182 1.00 31.43 C ATOM 1522 O LYS A 92 9.677 6.391 11.947 1.00 40.40 O ATOM 1523 CB LYS A 92 8.908 6.458 14.536 1.00 31.14 C ATOM 1524 CG LYS A 92 8.606 6.776 15.987 1.00 32.12 C ATOM 1525 CD LYS A 92 9.572 6.074 16.914 1.00 51.53 C ATOM 1526 CE LYS A 92 9.379 6.525 18.351 1.00 52.21 C ATOM 1527 NZ LYS A 92 10.471 6.049 19.237 1.00 72.23 N ATOM 0 H LYS A 92 6.579 6.286 12.661 1.00 72.13 H new ATOM 0 HA LYS A 92 8.171 8.361 13.898 1.00 1.44 H new ATOM 0 HB2 LYS A 92 8.664 5.413 14.345 1.00 31.14 H new ATOM 0 HB3 LYS A 92 9.978 6.572 14.365 1.00 31.14 H new ATOM 0 HG2 LYS A 92 8.664 7.853 16.145 1.00 32.12 H new ATOM 0 HG3 LYS A 92 7.586 6.473 16.224 1.00 32.12 H new ATOM 0 HD2 LYS A 92 9.427 4.996 16.846 1.00 51.53 H new ATOM 0 HD3 LYS A 92 10.596 6.279 16.600 1.00 51.53 H new ATOM 0 HE2 LYS A 92 9.333 7.613 18.386 1.00 52.21 H new ATOM 0 HE3 LYS A 92 8.424 6.153 18.722 1.00 52.21 H new ATOM 0 HZ1 LYS A 92 10.299 6.380 20.208 1.00 72.23 H new ATOM 0 HZ2 LYS A 92 10.500 5.009 19.225 1.00 72.23 H new ATOM 0 HZ3 LYS A 92 11.380 6.424 18.899 1.00 72.23 H new ATOM 1541 N GLY A 93 8.409 8.114 11.275 1.00 2.30 N ATOM 1542 CA GLY A 93 9.019 8.156 9.965 1.00 73.22 C ATOM 1543 C GLY A 93 9.241 9.569 9.474 1.00 60.42 C ATOM 1544 O GLY A 93 10.326 10.127 9.640 1.00 55.13 O ATOM 0 H GLY A 93 7.657 8.787 11.421 1.00 2.30 H new ATOM 0 HA2 GLY A 93 9.974 7.631 9.996 1.00 73.22 H new ATOM 0 HA3 GLY A 93 8.385 7.624 9.256 1.00 73.22 H new ATOM 1548 N TYR A 94 8.206 10.161 8.888 1.00 20.11 N ATOM 1549 CA TYR A 94 8.332 11.467 8.255 1.00 14.25 C ATOM 1550 C TYR A 94 6.956 12.030 7.898 1.00 21.22 C ATOM 1551 O TYR A 94 6.809 13.221 7.624 1.00 25.43 O ATOM 1552 CB TYR A 94 9.181 11.320 6.995 1.00 51.21 C ATOM 1553 CG TYR A 94 9.971 12.557 6.614 1.00 55.31 C ATOM 1554 CD1 TYR A 94 10.345 13.499 7.568 1.00 32.02 C ATOM 1555 CD2 TYR A 94 10.353 12.774 5.299 1.00 23.41 C ATOM 1556 CE1 TYR A 94 11.078 14.617 7.216 1.00 30.34 C ATOM 1557 CE2 TYR A 94 11.088 13.886 4.941 1.00 52.52 C ATOM 1558 CZ TYR A 94 11.444 14.805 5.900 1.00 75.11 C ATOM 1559 OH TYR A 94 12.182 15.912 5.542 1.00 44.55 O ATOM 0 H TYR A 94 7.271 9.757 8.839 1.00 20.11 H new ATOM 0 HA TYR A 94 8.809 12.160 8.948 1.00 14.25 H new ATOM 0 HB2 TYR A 94 9.875 10.492 7.136 1.00 51.21 H new ATOM 0 HB3 TYR A 94 8.529 11.052 6.164 1.00 51.21 H new ATOM 0 HD1 TYR A 94 10.058 13.354 8.599 1.00 32.02 H new ATOM 0 HD2 TYR A 94 10.070 12.059 4.540 1.00 23.41 H new ATOM 0 HE1 TYR A 94 11.362 15.339 7.967 1.00 30.34 H new ATOM 0 HE2 TYR A 94 11.382 14.034 3.912 1.00 52.52 H new ATOM 0 HH TYR A 94 12.356 15.891 4.578 1.00 44.55 H new ATOM 1569 N MET A 95 5.955 11.159 7.898 1.00 70.33 N ATOM 1570 CA MET A 95 4.594 11.545 7.567 1.00 23.34 C ATOM 1571 C MET A 95 3.893 12.155 8.772 1.00 21.34 C ATOM 1572 O MET A 95 4.030 11.668 9.898 1.00 13.53 O ATOM 1573 CB MET A 95 3.812 10.328 7.071 1.00 21.34 C ATOM 1574 CG MET A 95 4.289 9.804 5.727 1.00 3.11 C ATOM 1575 SD MET A 95 4.111 11.018 4.404 1.00 63.32 S ATOM 1576 CE MET A 95 2.328 11.078 4.222 1.00 65.34 C ATOM 0 H MET A 95 6.065 10.171 8.126 1.00 70.33 H new ATOM 0 HA MET A 95 4.634 12.295 6.777 1.00 23.34 H new ATOM 0 HB2 MET A 95 3.890 9.531 7.810 1.00 21.34 H new ATOM 0 HB3 MET A 95 2.757 10.591 6.995 1.00 21.34 H new ATOM 0 HG2 MET A 95 5.336 9.510 5.807 1.00 3.11 H new ATOM 0 HG3 MET A 95 3.725 8.907 5.470 1.00 3.11 H new ATOM 0 HE1 MET A 95 2.060 10.856 3.189 1.00 65.34 H new ATOM 0 HE2 MET A 95 1.870 10.341 4.882 1.00 65.34 H new ATOM 0 HE3 MET A 95 1.969 12.073 4.484 1.00 65.34 H new ATOM 1586 N GLU A 96 3.155 13.223 8.528 1.00 1.14 N ATOM 1587 CA GLU A 96 2.390 13.881 9.575 1.00 62.21 C ATOM 1588 C GLU A 96 1.116 13.091 9.841 1.00 23.51 C ATOM 1589 O GLU A 96 0.791 12.770 10.982 1.00 73.22 O ATOM 1590 CB GLU A 96 2.058 15.312 9.154 1.00 24.43 C ATOM 1591 CG GLU A 96 3.267 16.084 8.644 1.00 63.32 C ATOM 1592 CD GLU A 96 4.362 16.228 9.684 1.00 5.54 C ATOM 1593 OE1 GLU A 96 5.208 15.316 9.800 1.00 61.24 O ATOM 1594 OE2 GLU A 96 4.386 17.260 10.383 1.00 3.41 O ATOM 0 H GLU A 96 3.068 13.656 7.609 1.00 1.14 H new ATOM 0 HA GLU A 96 2.979 13.920 10.491 1.00 62.21 H new ATOM 0 HB2 GLU A 96 1.296 15.287 8.375 1.00 24.43 H new ATOM 0 HB3 GLU A 96 1.628 15.843 10.003 1.00 24.43 H new ATOM 0 HG2 GLU A 96 3.671 15.578 7.767 1.00 63.32 H new ATOM 0 HG3 GLU A 96 2.948 17.075 8.321 1.00 63.32 H new ATOM 1601 N ASN A 97 0.416 12.765 8.763 1.00 63.41 N ATOM 1602 CA ASN A 97 -0.772 11.921 8.821 1.00 3.23 C ATOM 1603 C ASN A 97 -0.867 11.130 7.532 1.00 32.02 C ATOM 1604 O ASN A 97 -0.031 11.293 6.641 1.00 13.53 O ATOM 1605 CB ASN A 97 -2.062 12.732 9.020 1.00 4.50 C ATOM 1606 CG ASN A 97 -2.195 13.315 10.417 1.00 33.15 C ATOM 1607 OD1 ASN A 97 -1.840 14.466 10.655 1.00 51.53 O ATOM 1608 ND2 ASN A 97 -2.701 12.524 11.353 1.00 51.11 N ATOM 0 H ASN A 97 0.655 13.078 7.822 1.00 63.41 H new ATOM 0 HA ASN A 97 -0.673 11.260 9.682 1.00 3.23 H new ATOM 0 HB2 ASN A 97 -2.090 13.542 8.291 1.00 4.50 H new ATOM 0 HB3 ASN A 97 -2.921 12.092 8.818 1.00 4.50 H new ATOM 0 HD21 ASN A 97 -2.806 12.866 12.308 1.00 51.11 H new ATOM 0 HD22 ASN A 97 -2.985 11.573 11.118 1.00 51.11 H new ATOM 1615 N ASP A 98 -1.872 10.279 7.429 1.00 2.11 N ATOM 1616 CA ASP A 98 -2.069 9.481 6.245 1.00 22.23 C ATOM 1617 C ASP A 98 -2.951 10.225 5.258 1.00 70.43 C ATOM 1618 O ASP A 98 -3.844 10.974 5.654 1.00 11.40 O ATOM 1619 CB ASP A 98 -2.711 8.138 6.603 1.00 75.14 C ATOM 1620 CG ASP A 98 -3.927 8.258 7.503 1.00 43.54 C ATOM 1621 OD1 ASP A 98 -3.811 8.834 8.606 1.00 12.31 O ATOM 1622 OD2 ASP A 98 -4.994 7.738 7.119 1.00 55.41 O ATOM 0 H ASP A 98 -2.566 10.126 8.160 1.00 2.11 H new ATOM 0 HA ASP A 98 -1.097 9.294 5.789 1.00 22.23 H new ATOM 0 HB2 ASP A 98 -3.000 7.628 5.684 1.00 75.14 H new ATOM 0 HB3 ASP A 98 -1.968 7.511 7.095 1.00 75.14 H new ATOM 1627 N PRO A 99 -2.708 10.034 3.956 1.00 63.11 N ATOM 1628 CA PRO A 99 -3.514 10.657 2.901 1.00 4.14 C ATOM 1629 C PRO A 99 -4.952 10.148 2.909 1.00 13.53 C ATOM 1630 O PRO A 99 -5.847 10.780 2.356 1.00 14.24 O ATOM 1631 CB PRO A 99 -2.801 10.241 1.611 1.00 74.11 C ATOM 1632 CG PRO A 99 -2.034 9.018 1.976 1.00 43.23 C ATOM 1633 CD PRO A 99 -1.621 9.205 3.405 1.00 64.33 C ATOM 0 HA PRO A 99 -3.590 11.737 3.024 1.00 4.14 H new ATOM 0 HB2 PRO A 99 -3.515 10.036 0.813 1.00 74.11 H new ATOM 0 HB3 PRO A 99 -2.140 11.030 1.253 1.00 74.11 H new ATOM 0 HG2 PRO A 99 -2.646 8.124 1.860 1.00 43.23 H new ATOM 0 HG3 PRO A 99 -1.164 8.895 1.331 1.00 43.23 H new ATOM 0 HD2 PRO A 99 -1.534 8.253 3.928 1.00 64.33 H new ATOM 0 HD3 PRO A 99 -0.654 9.702 3.484 1.00 64.33 H new ATOM 1641 N PHE A 100 -5.163 9.007 3.559 1.00 22.34 N ATOM 1642 CA PHE A 100 -6.486 8.400 3.650 1.00 72.13 C ATOM 1643 C PHE A 100 -7.347 9.137 4.668 1.00 33.01 C ATOM 1644 O PHE A 100 -8.573 9.028 4.655 1.00 53.44 O ATOM 1645 CB PHE A 100 -6.372 6.923 4.026 1.00 72.31 C ATOM 1646 CG PHE A 100 -5.774 6.073 2.942 1.00 44.25 C ATOM 1647 CD1 PHE A 100 -4.401 6.014 2.765 1.00 32.40 C ATOM 1648 CD2 PHE A 100 -6.587 5.332 2.099 1.00 72.02 C ATOM 1649 CE1 PHE A 100 -3.850 5.232 1.771 1.00 33.05 C ATOM 1650 CE2 PHE A 100 -6.043 4.547 1.102 1.00 13.50 C ATOM 1651 CZ PHE A 100 -4.673 4.497 0.937 1.00 75.15 C ATOM 0 H PHE A 100 -4.429 8.482 4.033 1.00 22.34 H new ATOM 0 HA PHE A 100 -6.964 8.476 2.673 1.00 72.13 H new ATOM 0 HB2 PHE A 100 -5.764 6.831 4.926 1.00 72.31 H new ATOM 0 HB3 PHE A 100 -7.363 6.541 4.271 1.00 72.31 H new ATOM 0 HD1 PHE A 100 -3.754 6.587 3.413 1.00 32.40 H new ATOM 0 HD2 PHE A 100 -7.659 5.369 2.223 1.00 72.02 H new ATOM 0 HE1 PHE A 100 -2.778 5.194 1.644 1.00 33.05 H new ATOM 0 HE2 PHE A 100 -6.688 3.973 0.453 1.00 13.50 H new ATOM 0 HZ PHE A 100 -4.244 3.885 0.157 1.00 75.15 H new ATOM 1661 N LYS A 101 -6.698 9.892 5.545 1.00 42.42 N ATOM 1662 CA LYS A 101 -7.386 10.717 6.511 1.00 72.42 C ATOM 1663 C LYS A 101 -8.089 11.856 5.780 1.00 63.13 C ATOM 1664 O LYS A 101 -9.198 12.261 6.127 1.00 32.12 O ATOM 1665 CB LYS A 101 -6.350 11.246 7.519 1.00 31.32 C ATOM 1666 CG LYS A 101 -6.913 12.065 8.668 1.00 42.10 C ATOM 1667 CD LYS A 101 -7.330 13.460 8.230 1.00 32.14 C ATOM 1668 CE LYS A 101 -6.149 14.282 7.734 1.00 73.24 C ATOM 1669 NZ LYS A 101 -6.570 15.627 7.245 1.00 4.15 N ATOM 0 H LYS A 101 -5.681 9.945 5.601 1.00 42.42 H new ATOM 0 HA LYS A 101 -8.141 10.147 7.052 1.00 72.42 H new ATOM 0 HB2 LYS A 101 -5.806 10.397 7.933 1.00 31.32 H new ATOM 0 HB3 LYS A 101 -5.625 11.857 6.981 1.00 31.32 H new ATOM 0 HG2 LYS A 101 -7.773 11.548 9.093 1.00 42.10 H new ATOM 0 HG3 LYS A 101 -6.165 12.142 9.457 1.00 42.10 H new ATOM 0 HD2 LYS A 101 -8.075 13.383 7.438 1.00 32.14 H new ATOM 0 HD3 LYS A 101 -7.804 13.975 9.065 1.00 32.14 H new ATOM 0 HE2 LYS A 101 -5.425 14.400 8.540 1.00 73.24 H new ATOM 0 HE3 LYS A 101 -5.646 13.745 6.930 1.00 73.24 H new ATOM 0 HZ1 LYS A 101 -5.761 16.280 7.286 1.00 4.15 H new ATOM 0 HZ2 LYS A 101 -6.904 15.550 6.263 1.00 4.15 H new ATOM 0 HZ3 LYS A 101 -7.338 15.990 7.845 1.00 4.15 H new ATOM 1683 N ASP A 102 -7.430 12.353 4.747 1.00 55.12 N ATOM 1684 CA ASP A 102 -7.921 13.500 4.002 1.00 74.25 C ATOM 1685 C ASP A 102 -8.520 13.048 2.676 1.00 44.43 C ATOM 1686 O ASP A 102 -8.904 13.858 1.833 1.00 2.21 O ATOM 1687 CB ASP A 102 -6.773 14.478 3.763 1.00 60.40 C ATOM 1688 CG ASP A 102 -7.249 15.898 3.562 1.00 43.03 C ATOM 1689 OD1 ASP A 102 -7.501 16.585 4.576 1.00 71.34 O ATOM 1690 OD2 ASP A 102 -7.354 16.344 2.403 1.00 70.11 O ATOM 0 H ASP A 102 -6.547 11.977 4.403 1.00 55.12 H new ATOM 0 HA ASP A 102 -8.701 13.999 4.578 1.00 74.25 H new ATOM 0 HB2 ASP A 102 -6.090 14.445 4.612 1.00 60.40 H new ATOM 0 HB3 ASP A 102 -6.208 14.161 2.887 1.00 60.40 H new ATOM 1695 N PHE A 103 -8.610 11.737 2.510 1.00 73.41 N ATOM 1696 CA PHE A 103 -9.118 11.146 1.285 1.00 22.01 C ATOM 1697 C PHE A 103 -10.640 11.161 1.296 1.00 52.14 C ATOM 1698 O PHE A 103 -11.291 10.170 1.625 1.00 41.04 O ATOM 1699 CB PHE A 103 -8.579 9.718 1.127 1.00 23.31 C ATOM 1700 CG PHE A 103 -8.991 9.029 -0.144 1.00 51.33 C ATOM 1701 CD1 PHE A 103 -8.787 9.631 -1.376 1.00 62.24 C ATOM 1702 CD2 PHE A 103 -9.576 7.772 -0.106 1.00 3.55 C ATOM 1703 CE1 PHE A 103 -9.161 8.995 -2.545 1.00 22.34 C ATOM 1704 CE2 PHE A 103 -9.953 7.133 -1.270 1.00 24.51 C ATOM 1705 CZ PHE A 103 -9.745 7.745 -2.490 1.00 62.43 C ATOM 0 H PHE A 103 -8.334 11.057 3.218 1.00 73.41 H new ATOM 0 HA PHE A 103 -8.777 11.732 0.432 1.00 22.01 H new ATOM 0 HB2 PHE A 103 -7.490 9.748 1.172 1.00 23.31 H new ATOM 0 HB3 PHE A 103 -8.917 9.121 1.974 1.00 23.31 H new ATOM 0 HD1 PHE A 103 -8.330 10.609 -1.423 1.00 62.24 H new ATOM 0 HD2 PHE A 103 -9.738 7.288 0.845 1.00 3.55 H new ATOM 0 HE1 PHE A 103 -8.997 9.474 -3.499 1.00 22.34 H new ATOM 0 HE2 PHE A 103 -10.410 6.155 -1.226 1.00 24.51 H new ATOM 0 HZ PHE A 103 -10.039 7.246 -3.401 1.00 62.43 H new