USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 890 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 122 GLN :FLIP amide:sc= 0.427 F(o=-0.3,f=0.91) USER MOD Set 1.2: A 124 TYR OH : rot 161:sc= 0.481 USER MOD Set 2.1: A 117 TYR OH : rot -120:sc= 0.301 USER MOD Set 2.2: A 119 CYS SG : rot -141:sc= 0.0751 USER MOD Set 3.1: A 40 ASN : amide:sc= -0.197 X(o=-0.16,f=-0.015) USER MOD Set 3.2: A 51 THR OG1 : rot -82:sc= 0.0343 USER MOD Single : A 12 SER OG : rot 36:sc= 0.00154 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.14) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -1.32 F(o=-3.5!,f=-1.3) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-3.6!) USER MOD Single : A 37 CYS SG : rot -107:sc= 1.13 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.291 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0 (180deg=-4.28e-05) USER MOD Single : A 53 LYS NZ :NH3+ -105:sc= 1.25 (180deg=-0.867) USER MOD Single : A 55 GLN : amide:sc= -0.413 K(o=-0.41,f=-2.6!) USER MOD Single : A 56 ASN : amide:sc= -1.26! C(o=-1.3!,f=-4.9!) USER MOD Single : A 61 LYS NZ :NH3+ 163:sc= -0.423 (180deg=-0.836) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 133:sc= -0.206 (180deg=-1.83) USER MOD Single : A 68 THR OG1 : rot 150:sc=0.000575 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -150:sc= -3.31 USER MOD Single : A 81 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.014) USER MOD Single : A 82 TYR OH : rot 175:sc= 1.17 USER MOD Single : A 94 THR OG1 : rot 160:sc= -0.886 USER MOD Single : A 96 SER OG : rot -150:sc= -5.66! USER MOD Single : A 100 SER OG : rot 37:sc= 0.104 USER MOD Single : A 111 MET CE :methyl -107:sc= -0.255 (180deg=-3.05!) USER MOD Single : A 116 TYR OH : rot 19:sc= -0.182 USER MOD Single : A 120 ASN : amide:sc= -3.09! C(o=-3.1!,f=-2.7!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -20:sc= 0.859 USER MOD Single : A 128 ASN : amide:sc= -8.26! C(o=-8.3!,f=-8.2!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -9.14! C(o=-9.1!,f=-11!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.243 12.925 -12.547 1.00 0.00 N ATOM 118 CA SER A 12 -0.524 11.806 -11.655 1.00 0.00 C ATOM 119 C SER A 12 0.469 11.772 -10.497 1.00 0.00 C ATOM 120 O SER A 12 1.429 12.542 -10.464 1.00 0.00 O ATOM 121 CB SER A 12 -0.471 10.486 -12.426 1.00 0.00 C ATOM 122 OG SER A 12 -1.513 10.413 -13.384 1.00 0.00 O ATOM 0 HA SER A 12 -1.526 11.941 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.493 10.391 -12.925 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.553 9.651 -11.730 1.00 0.00 H new ATOM 0 HG SER A 12 -1.673 11.303 -13.762 1.00 0.00 H new ATOM 128 N PHE A 13 0.230 10.873 -9.547 1.00 0.00 N ATOM 129 CA PHE A 13 1.102 10.738 -8.386 1.00 0.00 C ATOM 130 C PHE A 13 1.850 9.408 -8.419 1.00 0.00 C ATOM 131 O PHE A 13 1.645 8.590 -9.316 1.00 0.00 O ATOM 132 CB PHE A 13 0.288 10.846 -7.095 1.00 0.00 C ATOM 133 CG PHE A 13 -0.305 12.208 -6.873 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.204 12.744 -7.781 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.037 12.953 -5.756 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.750 13.997 -7.579 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.506 14.207 -5.548 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.402 14.729 -6.460 1.00 0.00 C ATOM 0 H PHE A 13 -0.560 10.228 -9.559 1.00 0.00 H new ATOM 0 HA PHE A 13 1.832 11.546 -8.416 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.514 10.108 -7.118 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.928 10.595 -6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.481 12.176 -8.657 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.736 12.549 -5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.448 14.404 -8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.230 14.778 -4.674 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.830 15.707 -6.299 1.00 0.00 H new ATOM 148 N VAL A 14 2.718 9.200 -7.435 1.00 0.00 N ATOM 149 CA VAL A 14 3.497 7.970 -7.350 1.00 0.00 C ATOM 150 C VAL A 14 3.722 7.562 -5.898 1.00 0.00 C ATOM 151 O VAL A 14 3.295 8.254 -4.973 1.00 0.00 O ATOM 152 CB VAL A 14 4.862 8.121 -8.047 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.678 8.306 -9.545 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.640 9.283 -7.449 1.00 0.00 C ATOM 0 H VAL A 14 2.900 9.867 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 14 2.922 7.195 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 14 5.436 7.209 -7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.653 8.411 -10.021 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.164 7.438 -9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.085 9.202 -9.731 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.602 9.375 -7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.073 10.205 -7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.803 9.103 -6.386 1.00 0.00 H new ATOM 164 N LEU A 15 4.396 6.434 -5.705 1.00 0.00 N ATOM 165 CA LEU A 15 4.680 5.932 -4.365 1.00 0.00 C ATOM 166 C LEU A 15 6.120 6.235 -3.963 1.00 0.00 C ATOM 167 O LEU A 15 7.057 5.940 -4.706 1.00 0.00 O ATOM 168 CB LEU A 15 4.426 4.425 -4.299 1.00 0.00 C ATOM 169 CG LEU A 15 3.090 3.944 -4.866 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.217 2.526 -5.401 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.002 4.020 -3.805 1.00 0.00 C ATOM 0 H LEU A 15 4.756 5.849 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 15 4.014 6.437 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.229 3.918 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.490 4.111 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 15 2.811 4.598 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.257 2.200 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.966 2.501 -6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.519 1.858 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.058 3.674 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.275 3.390 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.893 5.051 -3.469 1.00 0.00 H new ATOM 183 N ASP A 16 6.289 6.822 -2.784 1.00 0.00 N ATOM 184 CA ASP A 16 7.615 7.161 -2.282 1.00 0.00 C ATOM 185 C ASP A 16 8.259 5.962 -1.592 1.00 0.00 C ATOM 186 O ASP A 16 9.064 6.120 -0.674 1.00 0.00 O ATOM 187 CB ASP A 16 7.530 8.339 -1.310 1.00 0.00 C ATOM 188 CG ASP A 16 8.805 9.158 -1.279 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.231 9.633 -2.352 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.378 9.324 -0.181 1.00 0.00 O ATOM 0 H ASP A 16 5.524 7.073 -2.158 1.00 0.00 H new ATOM 0 HA ASP A 16 8.236 7.445 -3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.696 8.981 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.318 7.965 -0.308 1.00 0.00 H new ATOM 195 N PHE A 17 7.897 4.765 -2.039 1.00 0.00 N ATOM 196 CA PHE A 17 8.437 3.538 -1.464 1.00 0.00 C ATOM 197 C PHE A 17 8.585 2.457 -2.529 1.00 0.00 C ATOM 198 O PHE A 17 7.787 2.377 -3.463 1.00 0.00 O ATOM 199 CB PHE A 17 7.533 3.038 -0.335 1.00 0.00 C ATOM 200 CG PHE A 17 6.110 2.815 -0.761 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.721 1.607 -1.318 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.162 3.813 -0.605 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.413 1.398 -1.711 1.00 0.00 C ATOM 204 CE2 PHE A 17 3.852 3.610 -0.996 1.00 0.00 C ATOM 205 CZ PHE A 17 3.477 2.401 -1.551 1.00 0.00 C ATOM 0 H PHE A 17 7.232 4.618 -2.798 1.00 0.00 H new ATOM 0 HA PHE A 17 9.424 3.760 -1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.937 2.105 0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.551 3.761 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.449 0.820 -1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.450 4.760 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.123 0.452 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.122 4.395 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.454 2.241 -1.859 1.00 0.00 H new ATOM 215 N SER A 18 9.613 1.626 -2.383 1.00 0.00 N ATOM 216 CA SER A 18 9.869 0.552 -3.334 1.00 0.00 C ATOM 217 C SER A 18 8.919 -0.619 -3.101 1.00 0.00 C ATOM 218 O SER A 18 8.608 -0.961 -1.961 1.00 0.00 O ATOM 219 CB SER A 18 11.319 0.076 -3.221 1.00 0.00 C ATOM 220 OG SER A 18 12.224 1.140 -3.458 1.00 0.00 O ATOM 0 H SER A 18 10.282 1.677 -1.615 1.00 0.00 H new ATOM 0 HA SER A 18 9.699 0.942 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.493 -0.339 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.499 -0.725 -3.938 1.00 0.00 H new ATOM 0 HG SER A 18 13.144 0.811 -3.378 1.00 0.00 H new ATOM 226 N GLN A 19 8.461 -1.227 -4.191 1.00 0.00 N ATOM 227 CA GLN A 19 7.545 -2.358 -4.105 1.00 0.00 C ATOM 228 C GLN A 19 8.079 -3.420 -3.150 1.00 0.00 C ATOM 229 O GLN A 19 9.253 -3.789 -3.186 1.00 0.00 O ATOM 230 CB GLN A 19 7.323 -2.968 -5.491 1.00 0.00 C ATOM 231 CG GLN A 19 6.877 -1.957 -6.535 1.00 0.00 C ATOM 232 CD GLN A 19 5.825 -1.001 -6.010 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.053 0.206 -5.925 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.663 -1.536 -5.654 1.00 0.00 N ATOM 0 H GLN A 19 8.709 -0.956 -5.142 1.00 0.00 H new ATOM 0 HA GLN A 19 6.593 -1.993 -3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.248 -3.438 -5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.574 -3.756 -5.416 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.742 -1.388 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.481 -2.486 -7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.517 -2.542 -5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.917 -0.941 -5.294 1.00 0.00 H new ATOM 243 N PRO A 20 7.199 -3.925 -2.272 1.00 0.00 N ATOM 244 CA PRO A 20 7.559 -4.951 -1.290 1.00 0.00 C ATOM 245 C PRO A 20 7.835 -6.303 -1.940 1.00 0.00 C ATOM 246 O PRO A 20 8.808 -6.978 -1.602 1.00 0.00 O ATOM 247 CB PRO A 20 6.323 -5.032 -0.392 1.00 0.00 C ATOM 248 CG PRO A 20 5.199 -4.566 -1.251 1.00 0.00 C ATOM 249 CD PRO A 20 5.783 -3.532 -2.172 1.00 0.00 C ATOM 0 HA PRO A 20 8.475 -4.700 -0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.156 -6.050 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.433 -4.403 0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.770 -5.394 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.396 -4.142 -0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.294 -3.540 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.673 -2.526 -1.768 1.00 0.00 H new ATOM 257 N SER A 21 6.974 -6.693 -2.874 1.00 0.00 N ATOM 258 CA SER A 21 7.123 -7.966 -3.569 1.00 0.00 C ATOM 259 C SER A 21 8.556 -8.154 -4.057 1.00 0.00 C ATOM 260 O SER A 21 9.107 -9.252 -3.991 1.00 0.00 O ATOM 261 CB SER A 21 6.155 -8.043 -4.751 1.00 0.00 C ATOM 262 OG SER A 21 6.534 -9.067 -5.655 1.00 0.00 O ATOM 0 H SER A 21 6.165 -6.145 -3.167 1.00 0.00 H new ATOM 0 HA SER A 21 6.889 -8.765 -2.865 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.145 -8.231 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.133 -7.085 -5.270 1.00 0.00 H new ATOM 0 HG SER A 21 5.899 -9.097 -6.401 1.00 0.00 H new ATOM 268 N ALA A 22 9.154 -7.072 -4.547 1.00 0.00 N ATOM 269 CA ALA A 22 10.523 -7.116 -5.045 1.00 0.00 C ATOM 270 C ALA A 22 11.368 -8.099 -4.242 1.00 0.00 C ATOM 271 O ALA A 22 12.194 -8.822 -4.800 1.00 0.00 O ATOM 272 CB ALA A 22 11.144 -5.727 -5.004 1.00 0.00 C ATOM 0 H ALA A 22 8.712 -6.155 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 22 10.497 -7.460 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.166 -5.774 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.560 -5.049 -5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.150 -5.362 -3.977 1.00 0.00 H new ATOM 278 N ASP A 23 11.157 -8.120 -2.931 1.00 0.00 N ATOM 279 CA ASP A 23 11.899 -9.015 -2.051 1.00 0.00 C ATOM 280 C ASP A 23 10.997 -10.124 -1.517 1.00 0.00 C ATOM 281 O ASP A 23 10.253 -9.924 -0.557 1.00 0.00 O ATOM 282 CB ASP A 23 12.509 -8.232 -0.888 1.00 0.00 C ATOM 283 CG ASP A 23 13.453 -7.142 -1.356 1.00 0.00 C ATOM 284 OD1 ASP A 23 12.990 -6.217 -2.055 1.00 0.00 O ATOM 285 OD2 ASP A 23 14.655 -7.214 -1.023 1.00 0.00 O ATOM 0 H ASP A 23 10.478 -7.527 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 23 12.701 -9.472 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.710 -7.787 -0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.047 -8.918 -0.234 1.00 0.00 H new ATOM 290 N TYR A 24 11.068 -11.292 -2.146 1.00 0.00 N ATOM 291 CA TYR A 24 10.256 -12.431 -1.736 1.00 0.00 C ATOM 292 C TYR A 24 10.460 -12.742 -0.257 1.00 0.00 C ATOM 293 O TYR A 24 9.498 -12.885 0.499 1.00 0.00 O ATOM 294 CB TYR A 24 10.600 -13.659 -2.580 1.00 0.00 C ATOM 295 CG TYR A 24 9.708 -14.850 -2.308 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.363 -14.829 -2.657 1.00 0.00 C ATOM 297 CD2 TYR A 24 10.210 -15.995 -1.702 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.544 -15.913 -2.410 1.00 0.00 C ATOM 299 CE2 TYR A 24 9.398 -17.085 -1.453 1.00 0.00 C ATOM 300 CZ TYR A 24 8.066 -17.039 -1.809 1.00 0.00 C ATOM 301 OH TYR A 24 7.255 -18.123 -1.561 1.00 0.00 O ATOM 0 H TYR A 24 11.680 -11.475 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 24 9.209 -12.173 -1.892 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.529 -13.396 -3.635 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.636 -13.941 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.951 -13.950 -3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.252 -16.034 -1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.500 -15.879 -2.686 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.804 -17.968 -0.982 1.00 0.00 H new ATOM 0 HH TYR A 24 7.779 -18.833 -1.134 1.00 0.00 H new ATOM 311 N LEU A 25 11.721 -12.845 0.150 1.00 0.00 N ATOM 312 CA LEU A 25 12.054 -13.138 1.540 1.00 0.00 C ATOM 313 C LEU A 25 11.610 -12.004 2.458 1.00 0.00 C ATOM 314 O LEU A 25 10.680 -12.161 3.249 1.00 0.00 O ATOM 315 CB LEU A 25 13.560 -13.368 1.686 1.00 0.00 C ATOM 316 CG LEU A 25 14.038 -14.811 1.518 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.330 -15.726 2.505 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.810 -15.285 0.090 1.00 0.00 C ATOM 0 H LEU A 25 12.529 -12.730 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 25 11.524 -14.045 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.075 -12.748 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.867 -13.017 2.671 1.00 0.00 H new ATOM 0 HG LEU A 25 15.108 -14.846 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.683 -16.749 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.544 -15.399 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.255 -15.687 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.156 -16.314 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.747 -15.235 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.364 -14.646 -0.598 1.00 0.00 H new ATOM 330 N ASP A 26 12.279 -10.862 2.345 1.00 0.00 N ATOM 331 CA ASP A 26 11.951 -9.700 3.163 1.00 0.00 C ATOM 332 C ASP A 26 10.444 -9.471 3.202 1.00 0.00 C ATOM 333 O ASP A 26 9.921 -8.866 4.138 1.00 0.00 O ATOM 334 CB ASP A 26 12.655 -8.454 2.621 1.00 0.00 C ATOM 335 CG ASP A 26 12.264 -7.196 3.372 1.00 0.00 C ATOM 336 OD1 ASP A 26 12.563 -7.110 4.581 1.00 0.00 O ATOM 337 OD2 ASP A 26 11.659 -6.298 2.750 1.00 0.00 O ATOM 0 H ASP A 26 13.052 -10.716 1.695 1.00 0.00 H new ATOM 0 HA ASP A 26 12.297 -9.891 4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.734 -8.592 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.413 -8.334 1.565 1.00 0.00 H new ATOM 342 N PHE A 27 9.750 -9.958 2.179 1.00 0.00 N ATOM 343 CA PHE A 27 8.302 -9.805 2.095 1.00 0.00 C ATOM 344 C PHE A 27 7.593 -10.865 2.933 1.00 0.00 C ATOM 345 O PHE A 27 6.881 -10.545 3.884 1.00 0.00 O ATOM 346 CB PHE A 27 7.841 -9.897 0.639 1.00 0.00 C ATOM 347 CG PHE A 27 6.359 -10.090 0.490 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.805 -11.359 0.527 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.520 -9.001 0.313 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.441 -11.540 0.390 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.156 -9.176 0.177 1.00 0.00 C ATOM 352 CZ PHE A 27 3.616 -10.446 0.214 1.00 0.00 C ATOM 0 H PHE A 27 10.167 -10.462 1.396 1.00 0.00 H new ATOM 0 HA PHE A 27 8.043 -8.822 2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.135 -8.988 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.358 -10.725 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.446 -12.217 0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.937 -8.005 0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.021 -12.535 0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.512 -8.319 0.042 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.550 -10.584 0.106 1.00 0.00 H new ATOM 362 N ARG A 28 7.794 -12.128 2.571 1.00 0.00 N ATOM 363 CA ARG A 28 7.174 -13.236 3.288 1.00 0.00 C ATOM 364 C ARG A 28 7.386 -13.097 4.792 1.00 0.00 C ATOM 365 O ARG A 28 6.555 -13.532 5.589 1.00 0.00 O ATOM 366 CB ARG A 28 7.746 -14.569 2.802 1.00 0.00 C ATOM 367 CG ARG A 28 9.076 -14.931 3.444 1.00 0.00 C ATOM 368 CD ARG A 28 9.392 -16.408 3.275 1.00 0.00 C ATOM 369 NE ARG A 28 8.877 -17.209 4.382 1.00 0.00 N ATOM 370 CZ ARG A 28 8.591 -18.503 4.283 1.00 0.00 C ATOM 371 NH1 ARG A 28 8.771 -19.139 3.133 1.00 0.00 N ATOM 372 NH2 ARG A 28 8.126 -19.163 5.335 1.00 0.00 N ATOM 0 H ARG A 28 8.381 -12.409 1.786 1.00 0.00 H new ATOM 0 HA ARG A 28 6.103 -13.213 3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.025 -15.361 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.874 -14.527 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.871 -14.334 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.049 -14.683 4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.963 -16.765 2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.471 -16.542 3.203 1.00 0.00 H new ATOM 0 HE ARG A 28 8.729 -16.750 5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.130 -18.635 2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.551 -20.132 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.988 -18.677 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.907 -20.156 5.258 1.00 0.00 H new ATOM 386 N ASN A 29 8.504 -12.487 5.174 1.00 0.00 N ATOM 387 CA ASN A 29 8.825 -12.292 6.583 1.00 0.00 C ATOM 388 C ASN A 29 7.700 -11.552 7.300 1.00 0.00 C ATOM 389 O ASN A 29 7.402 -11.831 8.461 1.00 0.00 O ATOM 390 CB ASN A 29 10.135 -11.513 6.725 1.00 0.00 C ATOM 391 CG ASN A 29 11.354 -12.387 6.504 1.00 0.00 C ATOM 392 OD1 ASN A 29 11.983 -12.241 5.343 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.726 -13.183 7.366 1.00 0.00 N flip ATOM 0 H ASN A 29 9.202 -12.120 4.528 1.00 0.00 H new ATOM 0 HA ASN A 29 8.941 -13.273 7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.146 -10.692 6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.185 -11.069 7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.212 -13.262 8.243 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.548 -13.764 7.203 1.00 0.00 H new ATOM 400 N ARG A 30 7.079 -10.609 6.600 1.00 0.00 N ATOM 401 CA ARG A 30 5.987 -9.829 7.169 1.00 0.00 C ATOM 402 C ARG A 30 4.680 -10.615 7.132 1.00 0.00 C ATOM 403 O ARG A 30 3.843 -10.492 8.027 1.00 0.00 O ATOM 404 CB ARG A 30 5.823 -8.511 6.410 1.00 0.00 C ATOM 405 CG ARG A 30 7.142 -7.839 6.065 1.00 0.00 C ATOM 406 CD ARG A 30 7.821 -7.276 7.304 1.00 0.00 C ATOM 407 NE ARG A 30 6.936 -6.393 8.060 1.00 0.00 N ATOM 408 CZ ARG A 30 7.208 -5.952 9.283 1.00 0.00 C ATOM 409 NH1 ARG A 30 8.333 -6.310 9.885 1.00 0.00 N ATOM 410 NH2 ARG A 30 6.353 -5.151 9.906 1.00 0.00 N ATOM 0 H ARG A 30 7.314 -10.366 5.637 1.00 0.00 H new ATOM 0 HA ARG A 30 6.232 -9.613 8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.269 -8.698 5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.223 -7.828 7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.803 -8.559 5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.966 -7.037 5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.147 -8.097 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.715 -6.727 7.009 1.00 0.00 H new ATOM 0 HE ARG A 30 6.062 -6.099 7.625 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.992 -6.926 9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.539 -5.970 10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.486 -4.874 9.446 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.563 -4.813 10.845 1.00 0.00 H new ATOM 424 N LEU A 31 4.511 -11.423 6.091 1.00 0.00 N ATOM 425 CA LEU A 31 3.305 -12.230 5.937 1.00 0.00 C ATOM 426 C LEU A 31 3.331 -13.433 6.874 1.00 0.00 C ATOM 427 O LEU A 31 2.315 -14.099 7.072 1.00 0.00 O ATOM 428 CB LEU A 31 3.166 -12.701 4.488 1.00 0.00 C ATOM 429 CG LEU A 31 1.889 -13.473 4.153 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.726 -12.516 3.941 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.099 -14.343 2.922 1.00 0.00 C ATOM 0 H LEU A 31 5.193 -11.537 5.341 1.00 0.00 H new ATOM 0 HA LEU A 31 2.447 -11.610 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.221 -11.829 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.022 -13.332 4.248 1.00 0.00 H new ATOM 0 HG LEU A 31 1.648 -14.122 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.174 -13.084 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.561 -11.937 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.956 -11.840 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.180 -14.885 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.365 -13.714 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.903 -15.054 3.112 1.00 0.00 H new ATOM 443 N GLN A 32 4.498 -13.703 7.450 1.00 0.00 N ATOM 444 CA GLN A 32 4.655 -14.825 8.368 1.00 0.00 C ATOM 445 C GLN A 32 4.710 -14.342 9.814 1.00 0.00 C ATOM 446 O GLN A 32 4.297 -15.050 10.731 1.00 0.00 O ATOM 447 CB GLN A 32 5.923 -15.612 8.033 1.00 0.00 C ATOM 448 CG GLN A 32 6.317 -16.616 9.104 1.00 0.00 C ATOM 449 CD GLN A 32 7.467 -17.506 8.676 1.00 0.00 C ATOM 450 OE1 GLN A 32 8.532 -17.022 8.292 1.00 0.00 O ATOM 451 NE2 GLN A 32 7.257 -18.816 8.739 1.00 0.00 N ATOM 0 H GLN A 32 5.348 -13.160 7.297 1.00 0.00 H new ATOM 0 HA GLN A 32 3.790 -15.478 8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.775 -16.138 7.090 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.745 -14.913 7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.595 -16.082 10.013 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.455 -17.236 9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.358 -19.173 9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.994 -19.465 8.463 1.00 0.00 H new ATOM 460 N ALA A 33 5.223 -13.131 10.009 1.00 0.00 N ATOM 461 CA ALA A 33 5.331 -12.553 11.342 1.00 0.00 C ATOM 462 C ALA A 33 4.149 -11.637 11.640 1.00 0.00 C ATOM 463 O ALA A 33 3.765 -11.458 12.796 1.00 0.00 O ATOM 464 CB ALA A 33 6.640 -11.791 11.483 1.00 0.00 C ATOM 0 H ALA A 33 5.570 -12.532 9.260 1.00 0.00 H new ATOM 0 HA ALA A 33 5.318 -13.368 12.066 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.707 -11.365 12.484 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.476 -12.471 11.322 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.676 -10.990 10.744 1.00 0.00 H new ATOM 470 N ASP A 34 3.576 -11.058 10.591 1.00 0.00 N ATOM 471 CA ASP A 34 2.437 -10.160 10.740 1.00 0.00 C ATOM 472 C ASP A 34 1.173 -10.782 10.154 1.00 0.00 C ATOM 473 O ASP A 34 0.067 -10.287 10.370 1.00 0.00 O ATOM 474 CB ASP A 34 2.723 -8.820 10.059 1.00 0.00 C ATOM 475 CG ASP A 34 2.009 -7.664 10.732 1.00 0.00 C ATOM 476 OD1 ASP A 34 2.533 -7.151 11.743 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.928 -7.272 10.248 1.00 0.00 O ATOM 0 H ASP A 34 3.882 -11.195 9.628 1.00 0.00 H new ATOM 0 HA ASP A 34 2.277 -9.991 11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.797 -8.634 10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.416 -8.874 9.014 1.00 0.00 H new ATOM 482 N HIS A 35 1.346 -11.871 9.411 1.00 0.00 N ATOM 483 CA HIS A 35 0.219 -12.561 8.793 1.00 0.00 C ATOM 484 C HIS A 35 -0.498 -11.651 7.801 1.00 0.00 C ATOM 485 O HIS A 35 -1.706 -11.772 7.593 1.00 0.00 O ATOM 486 CB HIS A 35 -0.761 -13.042 9.864 1.00 0.00 C ATOM 487 CG HIS A 35 -0.099 -13.738 11.013 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.068 -15.105 11.070 1.00 0.00 N ATOM 489 CD2 HIS A 35 0.441 -13.247 12.153 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.680 -15.425 12.196 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.918 -14.315 12.871 1.00 0.00 N ATOM 0 H HIS A 35 2.255 -12.294 9.222 1.00 0.00 H new ATOM 0 HA HIS A 35 0.606 -13.424 8.252 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.321 -12.187 10.242 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.482 -13.719 9.407 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.488 -12.208 12.444 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.941 -16.424 12.511 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.381 -14.260 13.778 1.00 0.00 H new ATOM 499 N VAL A 36 0.253 -10.738 7.193 1.00 0.00 N ATOM 500 CA VAL A 36 -0.311 -9.807 6.223 1.00 0.00 C ATOM 501 C VAL A 36 0.777 -8.949 5.588 1.00 0.00 C ATOM 502 O VAL A 36 1.692 -8.485 6.269 1.00 0.00 O ATOM 503 CB VAL A 36 -1.362 -8.887 6.873 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.722 -8.022 7.948 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.041 -8.027 5.818 1.00 0.00 C ATOM 0 H VAL A 36 1.253 -10.623 7.355 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.793 -10.407 5.451 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.122 -9.509 7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.479 -7.379 8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.287 -8.660 8.717 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.059 -7.406 7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.780 -7.383 6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.295 -7.412 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.535 -8.669 5.088 1.00 0.00 H new ATOM 515 N CYS A 37 0.671 -8.741 4.280 1.00 0.00 N ATOM 516 CA CYS A 37 1.647 -7.938 3.552 1.00 0.00 C ATOM 517 C CYS A 37 1.130 -7.584 2.161 1.00 0.00 C ATOM 518 O CYS A 37 0.466 -8.392 1.510 1.00 0.00 O ATOM 519 CB CYS A 37 2.974 -8.688 3.440 1.00 0.00 C ATOM 520 SG CYS A 37 4.381 -7.639 3.007 1.00 0.00 S ATOM 0 H CYS A 37 -0.081 -9.117 3.702 1.00 0.00 H new ATOM 0 HA CYS A 37 1.807 -7.014 4.107 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.181 -9.182 4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.874 -9.471 2.689 1.00 0.00 H new ATOM 0 HG CYS A 37 4.727 -7.864 1.774 1.00 0.00 H new ATOM 526 N LEU A 38 1.438 -6.373 1.712 1.00 0.00 N ATOM 527 CA LEU A 38 1.004 -5.910 0.398 1.00 0.00 C ATOM 528 C LEU A 38 1.933 -6.426 -0.696 1.00 0.00 C ATOM 529 O LEU A 38 3.148 -6.239 -0.630 1.00 0.00 O ATOM 530 CB LEU A 38 0.956 -4.382 0.364 1.00 0.00 C ATOM 531 CG LEU A 38 0.890 -3.743 -1.024 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.537 -3.754 -1.550 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.435 -2.323 -0.985 1.00 0.00 C ATOM 0 H LEU A 38 1.987 -5.693 2.238 1.00 0.00 H new ATOM 0 HA LEU A 38 0.004 -6.303 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.088 -4.053 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.839 -3.999 0.877 1.00 0.00 H new ATOM 0 HG LEU A 38 1.510 -4.330 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.564 -3.295 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.892 -4.782 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.179 -3.192 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.380 -1.885 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.843 -1.725 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.473 -2.341 -0.653 1.00 0.00 H new ATOM 545 N GLU A 39 1.353 -7.075 -1.701 1.00 0.00 N ATOM 546 CA GLU A 39 2.131 -7.617 -2.809 1.00 0.00 C ATOM 547 C GLU A 39 2.595 -6.503 -3.744 1.00 0.00 C ATOM 548 O GLU A 39 3.774 -6.156 -3.775 1.00 0.00 O ATOM 549 CB GLU A 39 1.304 -8.641 -3.589 1.00 0.00 C ATOM 550 CG GLU A 39 2.109 -9.418 -4.617 1.00 0.00 C ATOM 551 CD GLU A 39 1.325 -10.563 -5.227 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.449 -10.296 -6.077 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.586 -11.727 -4.856 1.00 0.00 O ATOM 0 H GLU A 39 0.349 -7.238 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 39 3.010 -8.110 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.854 -9.343 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.486 -8.126 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.431 -8.741 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.011 -9.810 -4.146 1.00 0.00 H new ATOM 560 N ASN A 40 1.657 -5.948 -4.504 1.00 0.00 N ATOM 561 CA ASN A 40 1.968 -4.875 -5.441 1.00 0.00 C ATOM 562 C ASN A 40 0.915 -3.773 -5.376 1.00 0.00 C ATOM 563 O ASN A 40 -0.278 -4.048 -5.239 1.00 0.00 O ATOM 564 CB ASN A 40 2.061 -5.424 -6.866 1.00 0.00 C ATOM 565 CG ASN A 40 0.719 -5.897 -7.392 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.352 -7.061 -7.231 1.00 0.00 O ATOM 567 ND2 ASN A 40 -0.021 -4.993 -8.024 1.00 0.00 N ATOM 0 H ASN A 40 0.675 -6.224 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 40 2.931 -4.449 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.455 -4.651 -7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.769 -6.252 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.933 -5.253 -8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.323 -4.039 -8.134 1.00 0.00 H new ATOM 574 N CYS A 41 1.364 -2.527 -5.476 1.00 0.00 N ATOM 575 CA CYS A 41 0.460 -1.383 -5.428 1.00 0.00 C ATOM 576 C CYS A 41 0.803 -0.374 -6.520 1.00 0.00 C ATOM 577 O CYS A 41 1.850 0.271 -6.477 1.00 0.00 O ATOM 578 CB CYS A 41 0.527 -0.710 -4.056 1.00 0.00 C ATOM 579 SG CYS A 41 -0.530 0.747 -3.896 1.00 0.00 S ATOM 0 H CYS A 41 2.348 -2.283 -5.591 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.554 -1.745 -5.597 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.245 -1.436 -3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.559 -0.421 -3.855 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.406 1.244 -2.701 1.00 0.00 H new ATOM 585 N VAL A 42 -0.087 -0.244 -7.498 1.00 0.00 N ATOM 586 CA VAL A 42 0.120 0.686 -8.602 1.00 0.00 C ATOM 587 C VAL A 42 -0.725 1.942 -8.429 1.00 0.00 C ATOM 588 O VAL A 42 -1.655 1.972 -7.621 1.00 0.00 O ATOM 589 CB VAL A 42 -0.220 0.035 -9.956 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.553 -1.264 -10.133 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.717 -0.206 -10.070 1.00 0.00 C ATOM 0 H VAL A 42 -0.959 -0.771 -7.549 1.00 0.00 H new ATOM 0 HA VAL A 42 1.176 0.958 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 42 0.076 0.718 -10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.300 -1.710 -11.095 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.623 -1.058 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.290 -1.956 -9.332 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.939 -0.666 -11.033 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.041 -0.869 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.245 0.744 -9.992 1.00 0.00 H new ATOM 601 N LEU A 43 -0.397 2.979 -9.191 1.00 0.00 N ATOM 602 CA LEU A 43 -1.127 4.241 -9.123 1.00 0.00 C ATOM 603 C LEU A 43 -1.595 4.674 -10.508 1.00 0.00 C ATOM 604 O LEU A 43 -0.784 4.924 -11.400 1.00 0.00 O ATOM 605 CB LEU A 43 -0.247 5.329 -8.506 1.00 0.00 C ATOM 606 CG LEU A 43 -0.982 6.445 -7.763 1.00 0.00 C ATOM 607 CD1 LEU A 43 -0.090 7.049 -6.689 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.447 7.518 -8.737 1.00 0.00 C ATOM 0 H LEU A 43 0.370 2.972 -9.864 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.004 4.092 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.449 4.856 -7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.349 5.779 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.860 6.016 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.630 7.841 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.194 6.276 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.806 7.463 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.968 8.304 -8.191 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.584 7.943 -9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.123 7.076 -9.470 1.00 0.00 H new ATOM 620 N LYS A 44 -2.910 4.764 -10.681 1.00 0.00 N ATOM 621 CA LYS A 44 -3.488 5.171 -11.956 1.00 0.00 C ATOM 622 C LYS A 44 -3.697 6.681 -12.002 1.00 0.00 C ATOM 623 O LYS A 44 -3.310 7.399 -11.079 1.00 0.00 O ATOM 624 CB LYS A 44 -4.820 4.454 -12.188 1.00 0.00 C ATOM 625 CG LYS A 44 -4.664 3.021 -12.667 1.00 0.00 C ATOM 626 CD LYS A 44 -4.606 2.047 -11.503 1.00 0.00 C ATOM 627 CE LYS A 44 -5.991 1.543 -11.128 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.400 0.377 -11.958 1.00 0.00 N ATOM 0 H LYS A 44 -3.595 4.560 -9.954 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.791 4.894 -12.747 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.392 4.458 -11.260 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.401 5.012 -12.922 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.498 2.761 -13.318 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.755 2.932 -13.262 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.969 1.202 -11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.150 2.535 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.002 1.261 -10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.716 2.348 -11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.349 0.063 -11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.414 0.653 -12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.723 -0.400 -11.822 1.00 0.00 H new ATOM 642 N ASP A 45 -4.311 7.157 -13.079 1.00 0.00 N ATOM 643 CA ASP A 45 -4.574 8.582 -13.243 1.00 0.00 C ATOM 644 C ASP A 45 -5.008 9.210 -11.922 1.00 0.00 C ATOM 645 O ASP A 45 -4.255 9.962 -11.302 1.00 0.00 O ATOM 646 CB ASP A 45 -5.651 8.805 -14.306 1.00 0.00 C ATOM 647 CG ASP A 45 -5.369 8.041 -15.585 1.00 0.00 C ATOM 648 OD1 ASP A 45 -4.187 7.736 -15.844 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.331 7.750 -16.326 1.00 0.00 O ATOM 0 H ASP A 45 -4.636 6.577 -13.852 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.650 9.062 -13.567 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.619 8.498 -13.909 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.721 9.869 -14.530 1.00 0.00 H new ATOM 654 N LYS A 46 -6.227 8.897 -11.496 1.00 0.00 N ATOM 655 CA LYS A 46 -6.763 9.430 -10.249 1.00 0.00 C ATOM 656 C LYS A 46 -7.291 8.308 -9.361 1.00 0.00 C ATOM 657 O LYS A 46 -8.271 8.485 -8.637 1.00 0.00 O ATOM 658 CB LYS A 46 -7.881 10.435 -10.538 1.00 0.00 C ATOM 659 CG LYS A 46 -7.413 11.660 -11.304 1.00 0.00 C ATOM 660 CD LYS A 46 -6.968 12.769 -10.364 1.00 0.00 C ATOM 661 CE LYS A 46 -6.690 14.060 -11.118 1.00 0.00 C ATOM 662 NZ LYS A 46 -7.947 14.764 -11.495 1.00 0.00 N ATOM 0 H LYS A 46 -6.863 8.276 -11.997 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.955 9.937 -9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.666 9.938 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.325 10.754 -9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.588 11.386 -11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.220 12.023 -11.940 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.740 12.943 -9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.070 12.457 -9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.077 14.717 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.114 13.839 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.714 15.647 -11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.513 14.154 -12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.493 14.983 -10.637 1.00 0.00 H new ATOM 676 N ALA A 47 -6.635 7.154 -9.420 1.00 0.00 N ATOM 677 CA ALA A 47 -7.036 6.005 -8.618 1.00 0.00 C ATOM 678 C ALA A 47 -5.845 5.101 -8.318 1.00 0.00 C ATOM 679 O ALA A 47 -4.737 5.339 -8.801 1.00 0.00 O ATOM 680 CB ALA A 47 -8.129 5.221 -9.329 1.00 0.00 C ATOM 0 H ALA A 47 -5.823 6.990 -10.015 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.426 6.374 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.419 4.366 -8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.995 5.864 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.758 4.870 -10.292 1.00 0.00 H new ATOM 686 N ILE A 48 -6.080 4.066 -7.519 1.00 0.00 N ATOM 687 CA ILE A 48 -5.025 3.127 -7.156 1.00 0.00 C ATOM 688 C ILE A 48 -5.542 1.693 -7.156 1.00 0.00 C ATOM 689 O ILE A 48 -6.748 1.457 -7.087 1.00 0.00 O ATOM 690 CB ILE A 48 -4.437 3.450 -5.770 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.403 3.009 -4.667 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.136 4.937 -5.655 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.970 3.432 -3.281 1.00 0.00 C ATOM 0 H ILE A 48 -6.991 3.856 -7.111 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.241 3.227 -7.906 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.503 2.901 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.390 3.423 -4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.501 1.924 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.721 5.149 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.415 5.223 -6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.056 5.506 -5.792 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.701 3.086 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.997 2.996 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.900 4.519 -3.238 1.00 0.00 H new ATOM 705 N ALA A 49 -4.622 0.738 -7.231 1.00 0.00 N ATOM 706 CA ALA A 49 -4.984 -0.674 -7.235 1.00 0.00 C ATOM 707 C ALA A 49 -3.830 -1.539 -6.740 1.00 0.00 C ATOM 708 O ALA A 49 -2.700 -1.410 -7.208 1.00 0.00 O ATOM 709 CB ALA A 49 -5.408 -1.106 -8.631 1.00 0.00 C ATOM 0 H ALA A 49 -3.619 0.916 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.823 -0.810 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.676 -2.163 -8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.269 -0.517 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.584 -0.948 -9.327 1.00 0.00 H new ATOM 715 N GLY A 50 -4.123 -2.420 -5.788 1.00 0.00 N ATOM 716 CA GLY A 50 -3.098 -3.292 -5.244 1.00 0.00 C ATOM 717 C GLY A 50 -3.676 -4.551 -4.627 1.00 0.00 C ATOM 718 O GLY A 50 -4.853 -4.591 -4.265 1.00 0.00 O ATOM 0 H GLY A 50 -5.051 -2.545 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.401 -3.566 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.527 -2.750 -4.490 1.00 0.00 H new ATOM 722 N THR A 51 -2.848 -5.584 -4.507 1.00 0.00 N ATOM 723 CA THR A 51 -3.283 -6.850 -3.933 1.00 0.00 C ATOM 724 C THR A 51 -2.512 -7.170 -2.658 1.00 0.00 C ATOM 725 O THR A 51 -1.282 -7.124 -2.636 1.00 0.00 O ATOM 726 CB THR A 51 -3.106 -8.010 -4.931 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.751 -8.056 -5.394 1.00 0.00 O ATOM 728 CG2 THR A 51 -4.047 -7.854 -6.116 1.00 0.00 C ATOM 0 H THR A 51 -1.871 -5.568 -4.800 1.00 0.00 H new ATOM 0 HA THR A 51 -4.342 -6.742 -3.697 1.00 0.00 H new ATOM 0 HB THR A 51 -3.346 -8.941 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.631 -7.409 -6.120 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.903 -8.685 -6.807 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.078 -7.849 -5.763 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.835 -6.916 -6.628 1.00 0.00 H new ATOM 736 N VAL A 52 -3.242 -7.495 -1.595 1.00 0.00 N ATOM 737 CA VAL A 52 -2.626 -7.824 -0.316 1.00 0.00 C ATOM 738 C VAL A 52 -2.704 -9.321 -0.037 1.00 0.00 C ATOM 739 O VAL A 52 -3.577 -10.016 -0.557 1.00 0.00 O ATOM 740 CB VAL A 52 -3.296 -7.062 0.843 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.747 -7.533 2.181 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.102 -5.562 0.676 1.00 0.00 C ATOM 0 H VAL A 52 -4.261 -7.537 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.580 -7.523 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.365 -7.272 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.232 -6.983 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.942 -8.599 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.672 -7.355 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.582 -5.039 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.037 -5.331 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.549 -5.240 -0.265 1.00 0.00 H new ATOM 752 N LYS A 53 -1.784 -9.812 0.787 1.00 0.00 N ATOM 753 CA LYS A 53 -1.748 -11.227 1.138 1.00 0.00 C ATOM 754 C LYS A 53 -2.041 -11.428 2.621 1.00 0.00 C ATOM 755 O LYS A 53 -1.847 -10.520 3.430 1.00 0.00 O ATOM 756 CB LYS A 53 -0.383 -11.825 0.790 1.00 0.00 C ATOM 757 CG LYS A 53 -0.164 -12.016 -0.701 1.00 0.00 C ATOM 758 CD LYS A 53 -0.927 -13.220 -1.227 1.00 0.00 C ATOM 759 CE LYS A 53 -0.836 -13.319 -2.742 1.00 0.00 C ATOM 760 NZ LYS A 53 0.570 -13.487 -3.203 1.00 0.00 N ATOM 0 H LYS A 53 -1.053 -9.251 1.224 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.519 -11.738 0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.399 -11.176 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.280 -12.788 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.483 -11.121 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.900 -12.143 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.529 -14.129 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.973 -13.148 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.435 -14.162 -3.088 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.261 -12.421 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.912 -12.592 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.170 -13.755 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.611 -14.232 -3.928 1.00 0.00 H new ATOM 774 N VAL A 54 -2.506 -12.622 2.972 1.00 0.00 N ATOM 775 CA VAL A 54 -2.822 -12.943 4.359 1.00 0.00 C ATOM 776 C VAL A 54 -2.582 -14.420 4.650 1.00 0.00 C ATOM 777 O VAL A 54 -2.441 -15.228 3.733 1.00 0.00 O ATOM 778 CB VAL A 54 -4.285 -12.595 4.696 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.608 -11.172 4.267 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.232 -13.588 4.039 1.00 0.00 C ATOM 0 H VAL A 54 -2.673 -13.384 2.315 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.160 -12.341 4.982 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.418 -12.661 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.645 -10.944 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.950 -10.477 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.460 -11.074 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.261 -13.328 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.100 -13.556 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.014 -14.593 4.401 1.00 0.00 H new ATOM 790 N GLN A 55 -2.537 -14.764 5.933 1.00 0.00 N ATOM 791 CA GLN A 55 -2.314 -16.145 6.345 1.00 0.00 C ATOM 792 C GLN A 55 -3.612 -16.787 6.825 1.00 0.00 C ATOM 793 O GLN A 55 -4.373 -16.181 7.577 1.00 0.00 O ATOM 794 CB GLN A 55 -1.261 -16.205 7.453 1.00 0.00 C ATOM 795 CG GLN A 55 0.117 -15.744 7.008 1.00 0.00 C ATOM 796 CD GLN A 55 0.818 -16.763 6.132 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.331 -17.113 5.056 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.968 -17.246 6.587 1.00 0.00 N ATOM 0 H GLN A 55 -2.652 -14.106 6.704 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.953 -16.702 5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.589 -15.587 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.191 -17.228 7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.023 -14.805 6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.730 -15.543 7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.335 -16.928 7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.484 -17.935 6.040 1.00 0.00 H new ATOM 807 N ASN A 56 -3.857 -18.016 6.383 1.00 0.00 N ATOM 808 CA ASN A 56 -5.063 -18.740 6.767 1.00 0.00 C ATOM 809 C ASN A 56 -5.021 -19.123 8.244 1.00 0.00 C ATOM 810 O ASN A 56 -4.661 -20.247 8.595 1.00 0.00 O ATOM 811 CB ASN A 56 -5.225 -19.995 5.908 1.00 0.00 C ATOM 812 CG ASN A 56 -4.126 -21.010 6.153 1.00 0.00 C ATOM 813 OD1 ASN A 56 -2.979 -20.648 6.416 1.00 0.00 O ATOM 814 ND2 ASN A 56 -4.472 -22.289 6.069 1.00 0.00 N ATOM 0 H ASN A 56 -3.236 -18.531 5.759 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.918 -18.084 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.192 -20.453 6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.227 -19.713 4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.775 -23.017 6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.435 -22.543 5.848 1.00 0.00 H new ATOM 821 N LEU A 57 -5.392 -18.181 9.104 1.00 0.00 N ATOM 822 CA LEU A 57 -5.398 -18.419 10.543 1.00 0.00 C ATOM 823 C LEU A 57 -6.802 -18.759 11.033 1.00 0.00 C ATOM 824 O LEU A 57 -6.988 -19.689 11.817 1.00 0.00 O ATOM 825 CB LEU A 57 -4.870 -17.190 11.286 1.00 0.00 C ATOM 826 CG LEU A 57 -3.567 -16.592 10.752 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.204 -15.332 11.522 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.440 -17.612 10.832 1.00 0.00 C ATOM 0 H LEU A 57 -5.692 -17.246 8.830 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.746 -19.268 10.748 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.638 -16.417 11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.722 -17.458 12.332 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.714 -16.324 9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.275 -14.920 11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.001 -14.597 11.413 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.076 -15.575 12.577 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.521 -17.170 10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.293 -17.911 11.870 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.698 -18.487 10.236 1.00 0.00 H new ATOM 840 N ALA A 58 -7.786 -18.000 10.564 1.00 0.00 N ATOM 841 CA ALA A 58 -9.174 -18.223 10.951 1.00 0.00 C ATOM 842 C ALA A 58 -10.045 -18.509 9.732 1.00 0.00 C ATOM 843 O ALA A 58 -9.701 -18.135 8.610 1.00 0.00 O ATOM 844 CB ALA A 58 -9.709 -17.021 11.714 1.00 0.00 C ATOM 0 H ALA A 58 -7.648 -17.225 9.915 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.208 -19.097 11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.746 -17.202 11.997 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.111 -16.864 12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.654 -16.135 11.082 1.00 0.00 H new ATOM 850 N PHE A 59 -11.173 -19.173 9.959 1.00 0.00 N ATOM 851 CA PHE A 59 -12.092 -19.510 8.879 1.00 0.00 C ATOM 852 C PHE A 59 -12.471 -18.267 8.079 1.00 0.00 C ATOM 853 O PHE A 59 -12.440 -18.274 6.849 1.00 0.00 O ATOM 854 CB PHE A 59 -13.352 -20.173 9.440 1.00 0.00 C ATOM 855 CG PHE A 59 -14.034 -21.088 8.464 1.00 0.00 C ATOM 856 CD1 PHE A 59 -14.491 -20.608 7.247 1.00 0.00 C ATOM 857 CD2 PHE A 59 -14.218 -22.428 8.762 1.00 0.00 C ATOM 858 CE1 PHE A 59 -15.120 -21.447 6.347 1.00 0.00 C ATOM 859 CE2 PHE A 59 -14.846 -23.273 7.866 1.00 0.00 C ATOM 860 CZ PHE A 59 -15.296 -22.782 6.657 1.00 0.00 C ATOM 0 H PHE A 59 -11.473 -19.488 10.882 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.588 -20.210 8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.088 -20.740 10.333 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.053 -19.398 9.750 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.354 -19.566 6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.867 -22.818 9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -15.473 -21.060 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -14.984 -24.316 8.112 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.785 -23.440 5.954 1.00 0.00 H new ATOM 870 N GLU A 60 -12.830 -17.201 8.789 1.00 0.00 N ATOM 871 CA GLU A 60 -13.217 -15.951 8.146 1.00 0.00 C ATOM 872 C GLU A 60 -12.129 -14.894 8.312 1.00 0.00 C ATOM 873 O GLU A 60 -11.366 -14.918 9.278 1.00 0.00 O ATOM 874 CB GLU A 60 -14.535 -15.438 8.729 1.00 0.00 C ATOM 875 CG GLU A 60 -15.675 -16.437 8.627 1.00 0.00 C ATOM 876 CD GLU A 60 -15.756 -17.355 9.832 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.803 -17.360 10.638 1.00 0.00 O ATOM 878 OE2 GLU A 60 -16.773 -18.067 9.968 1.00 0.00 O ATOM 0 H GLU A 60 -12.861 -17.179 9.808 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.351 -16.146 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.383 -15.179 9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.819 -14.521 8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.617 -15.898 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.548 -17.037 7.726 1.00 0.00 H new ATOM 885 N LYS A 61 -12.062 -13.968 7.362 1.00 0.00 N ATOM 886 CA LYS A 61 -11.069 -12.901 7.401 1.00 0.00 C ATOM 887 C LYS A 61 -11.681 -11.572 6.972 1.00 0.00 C ATOM 888 O LYS A 61 -12.646 -11.538 6.207 1.00 0.00 O ATOM 889 CB LYS A 61 -9.884 -13.246 6.496 1.00 0.00 C ATOM 890 CG LYS A 61 -9.033 -14.390 7.018 1.00 0.00 C ATOM 891 CD LYS A 61 -8.242 -15.051 5.902 1.00 0.00 C ATOM 892 CE LYS A 61 -9.000 -16.224 5.300 1.00 0.00 C ATOM 893 NZ LYS A 61 -10.059 -15.774 4.355 1.00 0.00 N ATOM 0 H LYS A 61 -12.684 -13.935 6.555 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.717 -12.803 8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.258 -13.505 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.257 -12.362 6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.348 -14.017 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.672 -15.130 7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.026 -14.318 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.283 -15.396 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.302 -16.878 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.452 -16.812 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.354 -16.573 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.877 -15.423 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.687 -15.011 3.754 1.00 0.00 H new ATOM 907 N THR A 62 -11.113 -10.476 7.466 1.00 0.00 N ATOM 908 CA THR A 62 -11.602 -9.144 7.133 1.00 0.00 C ATOM 909 C THR A 62 -10.463 -8.237 6.682 1.00 0.00 C ATOM 910 O THR A 62 -9.733 -7.685 7.506 1.00 0.00 O ATOM 911 CB THR A 62 -12.319 -8.493 8.330 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.377 -9.343 8.788 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.883 -7.133 7.949 1.00 0.00 C ATOM 0 H THR A 62 -10.313 -10.485 8.099 1.00 0.00 H new ATOM 0 HA THR A 62 -12.313 -9.264 6.315 1.00 0.00 H new ATOM 0 HB THR A 62 -11.592 -8.355 9.130 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.827 -8.923 9.550 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.385 -6.693 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.072 -6.479 7.629 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.597 -7.251 7.134 1.00 0.00 H new ATOM 921 N VAL A 63 -10.317 -8.086 5.370 1.00 0.00 N ATOM 922 CA VAL A 63 -9.267 -7.243 4.810 1.00 0.00 C ATOM 923 C VAL A 63 -9.838 -5.933 4.280 1.00 0.00 C ATOM 924 O VAL A 63 -10.662 -5.926 3.365 1.00 0.00 O ATOM 925 CB VAL A 63 -8.518 -7.961 3.672 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.473 -7.043 3.057 1.00 0.00 C ATOM 927 CG2 VAL A 63 -7.878 -9.244 4.182 1.00 0.00 C ATOM 0 H VAL A 63 -10.912 -8.536 4.675 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.567 -7.030 5.618 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.237 -8.224 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.954 -7.568 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.961 -6.155 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.754 -6.747 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.353 -9.739 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.171 -9.007 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.651 -9.907 4.570 1.00 0.00 H new ATOM 937 N LYS A 64 -9.395 -4.823 4.860 1.00 0.00 N ATOM 938 CA LYS A 64 -9.860 -3.504 4.446 1.00 0.00 C ATOM 939 C LYS A 64 -8.741 -2.474 4.555 1.00 0.00 C ATOM 940 O LYS A 64 -8.127 -2.320 5.612 1.00 0.00 O ATOM 941 CB LYS A 64 -11.053 -3.070 5.301 1.00 0.00 C ATOM 942 CG LYS A 64 -12.388 -3.578 4.786 1.00 0.00 C ATOM 943 CD LYS A 64 -13.375 -3.800 5.919 1.00 0.00 C ATOM 944 CE LYS A 64 -14.603 -4.563 5.447 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.521 -3.701 4.652 1.00 0.00 N ATOM 0 H LYS A 64 -8.714 -4.810 5.619 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.172 -3.566 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.907 -3.427 6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.081 -1.981 5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.802 -2.861 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.238 -4.512 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.889 -4.352 6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.679 -2.838 6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.291 -5.415 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.136 -4.962 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.345 -4.258 4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.839 -2.902 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.020 -3.340 3.815 1.00 0.00 H new ATOM 959 N ILE A 65 -8.482 -1.770 3.458 1.00 0.00 N ATOM 960 CA ILE A 65 -7.439 -0.752 3.433 1.00 0.00 C ATOM 961 C ILE A 65 -7.926 0.551 4.055 1.00 0.00 C ATOM 962 O ILE A 65 -9.058 0.976 3.824 1.00 0.00 O ATOM 963 CB ILE A 65 -6.959 -0.474 1.996 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.439 -1.760 1.350 1.00 0.00 C ATOM 965 CG2 ILE A 65 -5.880 0.599 1.996 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.121 -2.233 1.922 1.00 0.00 C ATOM 0 H ILE A 65 -8.980 -1.886 2.575 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.605 -1.141 4.018 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.804 -0.112 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.183 -2.546 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.324 -1.598 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.551 0.784 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.282 1.519 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.033 0.263 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.813 -3.149 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.363 -1.464 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.236 -2.428 2.988 1.00 0.00 H new ATOM 978 N ARG A 66 -7.064 1.182 4.845 1.00 0.00 N ATOM 979 CA ARG A 66 -7.406 2.438 5.501 1.00 0.00 C ATOM 980 C ARG A 66 -6.426 3.541 5.111 1.00 0.00 C ATOM 981 O ARG A 66 -5.289 3.570 5.582 1.00 0.00 O ATOM 982 CB ARG A 66 -7.411 2.260 7.021 1.00 0.00 C ATOM 983 CG ARG A 66 -7.759 3.529 7.782 1.00 0.00 C ATOM 984 CD ARG A 66 -7.472 3.384 9.268 1.00 0.00 C ATOM 985 NE ARG A 66 -6.046 3.219 9.536 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.534 3.131 10.759 1.00 0.00 C ATOM 987 NH1 ARG A 66 -6.327 3.191 11.819 1.00 0.00 N ATOM 988 NH2 ARG A 66 -4.225 2.983 10.922 1.00 0.00 N ATOM 0 H ARG A 66 -6.123 0.844 5.046 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.404 2.729 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.126 1.481 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.429 1.913 7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.186 4.364 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.813 3.765 7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.841 4.263 9.796 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.016 2.525 9.660 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.408 3.169 8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.333 3.305 11.697 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.931 3.123 12.757 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.612 2.937 10.108 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.832 2.916 11.861 1.00 0.00 H new ATOM 1002 N MET A 67 -6.875 4.445 4.247 1.00 0.00 N ATOM 1003 CA MET A 67 -6.037 5.550 3.793 1.00 0.00 C ATOM 1004 C MET A 67 -6.606 6.888 4.254 1.00 0.00 C ATOM 1005 O MET A 67 -7.822 7.065 4.330 1.00 0.00 O ATOM 1006 CB MET A 67 -5.915 5.533 2.268 1.00 0.00 C ATOM 1007 CG MET A 67 -5.255 6.777 1.698 1.00 0.00 C ATOM 1008 SD MET A 67 -4.309 6.438 0.200 1.00 0.00 S ATOM 1009 CE MET A 67 -5.627 6.274 -1.002 1.00 0.00 C ATOM 0 H MET A 67 -7.813 4.435 3.847 1.00 0.00 H new ATOM 0 HA MET A 67 -5.047 5.426 4.231 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.341 4.657 1.967 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.909 5.427 1.833 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.020 7.522 1.479 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.595 7.210 2.450 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.383 6.856 -1.891 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.742 5.225 -1.275 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.559 6.641 -0.572 1.00 0.00 H new ATOM 1019 N THR A 68 -5.718 7.829 4.562 1.00 0.00 N ATOM 1020 CA THR A 68 -6.132 9.150 5.017 1.00 0.00 C ATOM 1021 C THR A 68 -5.506 10.247 4.163 1.00 0.00 C ATOM 1022 O THR A 68 -4.426 10.068 3.599 1.00 0.00 O ATOM 1023 CB THR A 68 -5.750 9.382 6.491 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.327 10.606 6.960 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.239 9.432 6.657 1.00 0.00 C ATOM 0 H THR A 68 -4.708 7.700 4.504 1.00 0.00 H new ATOM 0 HA THR A 68 -7.217 9.192 4.920 1.00 0.00 H new ATOM 0 HB THR A 68 -6.137 8.550 7.079 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.510 10.535 7.920 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.993 9.597 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.805 8.488 6.327 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.834 10.247 6.057 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.189 11.383 4.072 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.699 12.509 3.287 1.00 0.00 C ATOM 1035 C PHE A 69 -5.598 13.768 4.144 1.00 0.00 C ATOM 1036 O PHE A 69 -5.433 14.873 3.627 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.620 12.765 2.092 1.00 0.00 C ATOM 1038 CG PHE A 69 -6.971 11.520 1.329 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -7.778 10.547 1.897 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.495 11.323 0.043 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.102 9.401 1.197 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -6.816 10.178 -0.662 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.621 9.216 -0.085 1.00 0.00 C ATOM 0 H PHE A 69 -7.084 11.548 4.533 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.703 12.258 2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.537 13.236 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.138 13.472 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.158 10.686 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.866 12.073 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.731 8.650 1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.437 10.036 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.874 8.321 -0.634 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.698 13.591 5.457 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.618 14.711 6.387 1.00 0.00 C ATOM 1055 C ASP A 70 -4.692 14.383 7.554 1.00 0.00 C ATOM 1056 O ASP A 70 -5.146 14.148 8.674 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.010 15.069 6.909 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.978 15.410 5.793 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -7.513 15.834 4.715 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -9.200 15.254 5.998 1.00 0.00 O ATOM 0 H ASP A 70 -5.835 12.683 5.901 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.209 15.567 5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.405 14.232 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.932 15.917 7.590 1.00 0.00 H new ATOM 1065 N THR A 71 -3.390 14.368 7.284 1.00 0.00 N ATOM 1066 CA THR A 71 -2.400 14.067 8.310 1.00 0.00 C ATOM 1067 C THR A 71 -2.952 13.081 9.334 1.00 0.00 C ATOM 1068 O THR A 71 -2.829 13.291 10.540 1.00 0.00 O ATOM 1069 CB THR A 71 -1.941 15.343 9.039 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.693 16.387 8.091 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.681 15.079 9.850 1.00 0.00 C ATOM 0 H THR A 71 -2.997 14.561 6.363 1.00 0.00 H new ATOM 0 HA THR A 71 -1.545 13.620 7.803 1.00 0.00 H new ATOM 0 HB THR A 71 -2.735 15.651 9.719 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.403 17.195 8.563 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.376 15.995 10.356 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.881 14.304 10.590 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.117 14.748 9.185 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.559 12.006 8.845 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.129 10.987 9.719 1.00 0.00 C ATOM 1081 C TRP A 72 -5.210 11.581 10.615 1.00 0.00 C ATOM 1082 O TRP A 72 -5.210 11.369 11.828 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.034 10.348 10.574 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.077 9.507 9.784 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -0.831 9.866 9.356 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.291 8.168 9.325 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.257 8.830 8.659 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.132 7.776 8.627 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.348 7.260 9.438 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.003 6.518 8.045 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.218 6.012 8.859 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.053 5.650 8.170 1.00 0.00 C ATOM 0 H TRP A 72 -3.669 11.817 7.849 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.584 10.220 9.092 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.478 11.134 11.086 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.498 9.732 11.344 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.365 10.823 9.538 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.670 8.843 8.234 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.250 7.529 9.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.106 6.237 7.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.029 5.303 8.939 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.983 4.667 7.729 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.130 12.326 10.012 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.218 12.950 10.755 1.00 0.00 C ATOM 1105 C LYS A 73 -8.567 12.386 10.321 1.00 0.00 C ATOM 1106 O LYS A 73 -9.447 12.150 11.148 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.197 14.467 10.551 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.051 15.161 11.266 1.00 0.00 C ATOM 1109 CD LYS A 73 -6.422 16.578 11.669 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.496 17.500 10.461 1.00 0.00 C ATOM 1111 NZ LYS A 73 -5.151 17.993 10.055 1.00 0.00 N ATOM 0 H LYS A 73 -6.144 12.512 9.009 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.076 12.730 11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.131 14.681 9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.140 14.886 10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.775 14.590 12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.176 15.184 10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.383 16.571 12.182 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.686 16.961 12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.955 16.969 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.139 18.349 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.245 18.618 9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.723 18.521 10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.544 17.185 9.810 1.00 0.00 H new ATOM 1125 N SER A 74 -8.722 12.173 9.018 1.00 0.00 N ATOM 1126 CA SER A 74 -9.965 11.639 8.474 1.00 0.00 C ATOM 1127 C SER A 74 -9.689 10.467 7.536 1.00 0.00 C ATOM 1128 O SER A 74 -9.435 10.657 6.346 1.00 0.00 O ATOM 1129 CB SER A 74 -10.732 12.733 7.729 1.00 0.00 C ATOM 1130 OG SER A 74 -12.060 12.325 7.450 1.00 0.00 O ATOM 0 H SER A 74 -8.003 12.362 8.320 1.00 0.00 H new ATOM 0 HA SER A 74 -10.572 11.281 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.746 13.644 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.218 12.972 6.798 1.00 0.00 H new ATOM 0 HG SER A 74 -12.530 13.042 6.975 1.00 0.00 H new ATOM 1136 N TYR A 75 -9.740 9.257 8.081 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.493 8.054 7.295 1.00 0.00 C ATOM 1138 C TYR A 75 -10.800 7.332 6.979 1.00 0.00 C ATOM 1139 O TYR A 75 -11.804 7.508 7.670 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.547 7.115 8.044 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.078 6.664 9.386 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -10.115 5.743 9.470 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.544 7.159 10.569 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -10.605 5.328 10.693 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -9.026 6.748 11.797 1.00 0.00 C ATOM 1146 CZ TYR A 75 -10.057 5.833 11.854 1.00 0.00 C ATOM 1147 OH TYR A 75 -10.541 5.423 13.075 1.00 0.00 O ATOM 0 H TYR A 75 -9.950 9.083 9.064 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.028 8.354 6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.354 6.238 7.426 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.591 7.618 8.191 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.545 5.345 8.563 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.738 7.877 10.528 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.412 4.612 10.740 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.598 7.141 12.707 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.046 5.873 13.791 1.00 0.00 H new ATOM 1157 N THR A 76 -10.779 6.516 5.929 1.00 0.00 N ATOM 1158 CA THR A 76 -11.960 5.767 5.520 1.00 0.00 C ATOM 1159 C THR A 76 -11.633 4.291 5.324 1.00 0.00 C ATOM 1160 O THR A 76 -10.514 3.937 4.955 1.00 0.00 O ATOM 1161 CB THR A 76 -12.557 6.327 4.215 1.00 0.00 C ATOM 1162 OG1 THR A 76 -12.714 7.747 4.318 1.00 0.00 O ATOM 1163 CG2 THR A 76 -13.902 5.684 3.915 1.00 0.00 C ATOM 0 H THR A 76 -9.957 6.358 5.347 1.00 0.00 H new ATOM 0 HA THR A 76 -12.693 5.871 6.320 1.00 0.00 H new ATOM 0 HB THR A 76 -11.872 6.095 3.400 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.092 8.096 3.484 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.304 6.096 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.775 4.607 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.593 5.888 4.733 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.618 3.434 5.571 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.436 1.995 5.419 1.00 0.00 C ATOM 1173 C ASP A 77 -13.007 1.512 4.090 1.00 0.00 C ATOM 1174 O ASP A 77 -14.217 1.560 3.868 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.104 1.250 6.576 1.00 0.00 C ATOM 1176 CG ASP A 77 -12.387 -0.040 6.924 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -11.200 -0.175 6.562 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -13.015 -0.915 7.557 1.00 0.00 O ATOM 0 H ASP A 77 -13.551 3.711 5.877 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.366 1.786 5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.130 1.896 7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.138 1.028 6.313 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.128 1.049 3.207 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.544 0.559 1.898 1.00 0.00 C ATOM 1185 C PHE A 78 -12.488 -0.965 1.845 1.00 0.00 C ATOM 1186 O PHE A 78 -11.504 -1.589 2.241 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.657 1.153 0.802 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.426 2.629 0.952 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.445 3.533 0.699 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.189 3.113 1.346 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.236 4.892 0.836 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.973 4.471 1.485 1.00 0.00 C ATOM 1193 CZ PHE A 78 -10.998 5.362 1.229 1.00 0.00 C ATOM 0 H PHE A 78 -11.123 1.003 3.374 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.574 0.873 1.731 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.695 0.641 0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.115 0.962 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.415 3.171 0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.384 2.421 1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.039 5.586 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.004 4.836 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.831 6.424 1.336 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.570 -1.579 1.343 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.669 -3.037 1.225 1.00 0.00 C ATOM 1205 C PRO A 79 -12.735 -3.597 0.158 1.00 0.00 C ATOM 1206 O PRO A 79 -12.632 -3.048 -0.940 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.130 -3.262 0.829 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.541 -1.995 0.162 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.779 -0.898 0.852 1.00 0.00 C ATOM 0 HA PRO A 79 -13.381 -3.541 2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.231 -4.114 0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.749 -3.469 1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.309 -2.021 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.616 -1.838 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.533 -0.087 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.354 -0.462 1.669 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.057 -4.691 0.487 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.131 -5.326 -0.445 1.00 0.00 C ATOM 1219 C CYS A 80 -11.802 -6.484 -1.175 1.00 0.00 C ATOM 1220 O CYS A 80 -12.592 -7.224 -0.590 1.00 0.00 O ATOM 1221 CB CYS A 80 -9.891 -5.825 0.298 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.671 -4.537 0.648 1.00 0.00 S ATOM 0 H CYS A 80 -12.131 -5.157 1.391 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.829 -4.582 -1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.203 -6.280 1.238 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.417 -6.608 -0.294 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.481 -5.061 0.671 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.484 -6.632 -2.457 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.059 -7.699 -3.268 1.00 0.00 C ATOM 1230 C GLN A 81 -11.252 -8.986 -3.126 1.00 0.00 C ATOM 1231 O GLN A 81 -10.260 -9.032 -2.397 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.116 -7.278 -4.737 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.172 -6.224 -5.027 1.00 0.00 C ATOM 1234 CD GLN A 81 -14.571 -6.804 -5.096 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.482 -6.341 -4.409 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -14.749 -7.823 -5.929 1.00 0.00 N ATOM 0 H GLN A 81 -10.832 -6.027 -2.956 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.072 -7.886 -2.912 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.140 -6.894 -5.034 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.313 -8.157 -5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.138 -5.458 -4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.940 -5.732 -5.972 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.966 -8.175 -6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.669 -8.254 -6.018 1.00 0.00 H new ATOM 1245 N TYR A 82 -11.682 -10.028 -3.827 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.001 -11.317 -3.778 1.00 0.00 C ATOM 1247 C TYR A 82 -10.444 -11.692 -5.148 1.00 0.00 C ATOM 1248 O TYR A 82 -11.134 -11.584 -6.162 1.00 0.00 O ATOM 1249 CB TYR A 82 -11.958 -12.405 -3.289 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.258 -13.652 -2.798 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -10.418 -14.376 -3.635 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.436 -14.105 -1.497 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -9.777 -15.516 -3.191 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -10.797 -15.243 -1.043 1.00 0.00 C ATOM 1255 CZ TYR A 82 -9.969 -15.945 -1.894 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.331 -17.080 -1.448 1.00 0.00 O ATOM 0 H TYR A 82 -12.500 -10.006 -4.437 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.169 -11.233 -3.079 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.572 -12.002 -2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.634 -12.674 -4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.264 -14.042 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.085 -13.558 -0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.129 -16.068 -3.855 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.945 -15.581 -0.028 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.508 -17.200 -0.492 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.191 -12.133 -5.169 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.540 -12.527 -6.413 1.00 0.00 C ATOM 1268 C VAL A 83 -8.137 -13.997 -6.382 1.00 0.00 C ATOM 1269 O VAL A 83 -7.108 -14.358 -5.810 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.290 -11.669 -6.688 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -6.552 -12.180 -7.916 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.674 -10.207 -6.857 1.00 0.00 C ATOM 0 H VAL A 83 -8.606 -12.227 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.264 -12.369 -7.213 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.620 -11.748 -5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.672 -11.562 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.243 -13.212 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.211 -12.132 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.779 -9.616 -7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.364 -10.106 -7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.155 -9.850 -5.947 1.00 0.00 H new ATOM 1415 N ASP A 93 -5.326 -16.544 1.154 1.00 0.00 N ATOM 1416 CA ASP A 93 -6.356 -15.772 0.468 1.00 0.00 C ATOM 1417 C ASP A 93 -5.802 -14.436 -0.017 1.00 0.00 C ATOM 1418 O ASP A 93 -5.225 -13.672 0.758 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.549 -15.537 1.396 1.00 0.00 C ATOM 1420 CG ASP A 93 -8.272 -16.822 1.746 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.699 -17.640 2.495 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -9.412 -17.011 1.270 1.00 0.00 O ATOM 0 HA ASP A 93 -6.687 -16.343 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.204 -15.057 2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.247 -14.849 0.919 1.00 0.00 H new ATOM 1427 N THR A 94 -5.979 -14.160 -1.305 1.00 0.00 N ATOM 1428 CA THR A 94 -5.495 -12.918 -1.894 1.00 0.00 C ATOM 1429 C THR A 94 -6.635 -11.931 -2.109 1.00 0.00 C ATOM 1430 O THR A 94 -7.581 -12.209 -2.847 1.00 0.00 O ATOM 1431 CB THR A 94 -4.790 -13.172 -3.241 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.696 -14.077 -3.058 1.00 0.00 O ATOM 1433 CG2 THR A 94 -4.283 -11.870 -3.840 1.00 0.00 C ATOM 0 H THR A 94 -6.454 -14.780 -1.960 1.00 0.00 H new ATOM 0 HA THR A 94 -4.778 -12.493 -1.191 1.00 0.00 H new ATOM 0 HB THR A 94 -5.513 -13.612 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.459 -14.482 -3.918 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.789 -12.075 -4.790 1.00 0.00 H new ATOM 0 HG22 THR A 94 -5.122 -11.194 -4.005 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.573 -11.406 -3.155 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.541 -10.774 -1.461 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.566 -9.744 -1.581 1.00 0.00 C ATOM 1443 C PHE A 95 -7.029 -8.527 -2.328 1.00 0.00 C ATOM 1444 O PHE A 95 -5.858 -8.169 -2.194 1.00 0.00 O ATOM 1445 CB PHE A 95 -8.065 -9.328 -0.196 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.552 -10.479 0.637 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -9.789 -11.054 0.392 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -7.773 -10.986 1.664 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -10.239 -12.113 1.157 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -8.218 -12.045 2.433 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.452 -12.610 2.178 1.00 0.00 C ATOM 0 H PHE A 95 -5.765 -10.527 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.398 -10.159 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.259 -8.821 0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.873 -8.606 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.408 -10.670 -0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.806 -10.549 1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -11.205 -12.552 0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.602 -12.430 3.232 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.801 -13.439 2.776 1.00 0.00 H new ATOM 1461 N SER A 96 -7.892 -7.894 -3.116 1.00 0.00 N ATOM 1462 CA SER A 96 -7.505 -6.720 -3.888 1.00 0.00 C ATOM 1463 C SER A 96 -8.136 -5.457 -3.310 1.00 0.00 C ATOM 1464 O SER A 96 -9.057 -5.526 -2.495 1.00 0.00 O ATOM 1465 CB SER A 96 -7.918 -6.886 -5.352 1.00 0.00 C ATOM 1466 OG SER A 96 -7.009 -7.722 -6.046 1.00 0.00 O ATOM 0 H SER A 96 -8.865 -8.175 -3.236 1.00 0.00 H new ATOM 0 HA SER A 96 -6.421 -6.622 -3.833 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.920 -7.311 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.960 -5.909 -5.834 1.00 0.00 H new ATOM 0 HG SER A 96 -6.976 -7.458 -6.989 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.635 -4.303 -3.738 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.148 -3.023 -3.263 1.00 0.00 C ATOM 1474 C PHE A 97 -8.011 -1.950 -4.338 1.00 0.00 C ATOM 1475 O PHE A 97 -6.935 -1.755 -4.903 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.407 -2.591 -1.996 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.022 -2.071 -2.260 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.827 -0.764 -2.676 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -4.917 -2.889 -2.093 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.554 -0.283 -2.920 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.642 -2.414 -2.335 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.460 -1.109 -2.748 1.00 0.00 C ATOM 0 H PHE A 97 -6.874 -4.228 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.206 -3.147 -3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.987 -1.818 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.344 -3.439 -1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.679 -0.114 -2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.053 -3.910 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.415 0.738 -3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.789 -3.063 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.465 -0.735 -2.936 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.109 -1.256 -4.616 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.113 -0.201 -5.623 1.00 0.00 C ATOM 1494 C ASP A 98 -9.729 1.079 -5.067 1.00 0.00 C ATOM 1495 O ASP A 98 -10.948 1.252 -5.086 1.00 0.00 O ATOM 1496 CB ASP A 98 -9.883 -0.654 -6.865 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.343 -0.935 -6.570 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -11.668 -1.220 -5.398 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -12.161 -0.869 -7.511 1.00 0.00 O ATOM 0 H ASP A 98 -10.008 -1.405 -4.158 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.079 0.005 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.812 0.116 -7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.418 -1.553 -7.270 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.879 1.972 -4.571 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.340 3.235 -4.010 1.00 0.00 C ATOM 1506 C ILE A 99 -9.273 4.354 -5.045 1.00 0.00 C ATOM 1507 O ILE A 99 -8.372 4.385 -5.882 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.509 3.641 -2.778 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.601 2.563 -1.696 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.981 4.983 -2.239 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.369 2.476 -0.823 1.00 0.00 C ATOM 0 H ILE A 99 -7.867 1.844 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.376 3.085 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.466 3.740 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.468 2.764 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.769 1.596 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.384 5.256 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.868 5.745 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.030 4.911 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.505 1.691 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.501 2.244 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.212 3.430 -0.320 1.00 0.00 H new ATOM 1523 N SER A 100 -10.233 5.271 -4.979 1.00 0.00 N ATOM 1524 CA SER A 100 -10.285 6.391 -5.911 1.00 0.00 C ATOM 1525 C SER A 100 -9.676 7.644 -5.290 1.00 0.00 C ATOM 1526 O SER A 100 -10.062 8.059 -4.196 1.00 0.00 O ATOM 1527 CB SER A 100 -11.730 6.666 -6.331 1.00 0.00 C ATOM 1528 OG SER A 100 -12.572 6.801 -5.199 1.00 0.00 O ATOM 0 H SER A 100 -10.985 5.260 -4.290 1.00 0.00 H new ATOM 0 HA SER A 100 -9.703 6.125 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.771 7.576 -6.930 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.090 5.853 -6.961 1.00 0.00 H new ATOM 0 HG SER A 100 -12.085 7.259 -4.482 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.722 8.243 -5.995 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.058 9.449 -5.514 1.00 0.00 C ATOM 1536 C LEU A 101 -8.988 10.655 -5.605 1.00 0.00 C ATOM 1537 O LEU A 101 -9.894 10.710 -6.436 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.785 9.710 -6.320 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.723 8.611 -6.273 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.590 8.921 -7.238 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.190 8.445 -4.857 1.00 0.00 C ATOM 0 H LEU A 101 -8.391 7.913 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.793 9.296 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.065 9.872 -7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.336 10.637 -5.962 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.185 7.672 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.844 8.128 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.984 8.988 -8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.128 9.870 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.435 7.659 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.744 9.382 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.008 8.175 -4.190 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.758 11.647 -4.731 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.562 12.872 -4.695 1.00 0.00 C ATOM 1555 C PRO A 102 -9.325 13.758 -5.913 1.00 0.00 C ATOM 1556 O PRO A 102 -8.350 13.577 -6.642 1.00 0.00 O ATOM 1557 CB PRO A 102 -9.083 13.574 -3.422 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.699 13.066 -3.208 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.695 11.649 -3.713 1.00 0.00 C ATOM 0 HA PRO A 102 -10.631 12.658 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.093 14.658 -3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.727 13.339 -2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.972 13.674 -3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.428 13.105 -2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.730 11.377 -4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.902 10.937 -2.914 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.532 15.610 4.494 1.00 0.00 N ATOM 1688 CA ARG A 110 0.033 14.270 4.388 1.00 0.00 C ATOM 1689 C ARG A 110 -1.026 13.267 3.940 1.00 0.00 C ATOM 1690 O ARG A 110 -2.216 13.451 4.195 1.00 0.00 O ATOM 1691 CB ARG A 110 0.627 13.837 5.730 1.00 0.00 C ATOM 1692 CG ARG A 110 1.672 12.740 5.608 1.00 0.00 C ATOM 1693 CD ARG A 110 2.157 12.279 6.973 1.00 0.00 C ATOM 1694 NE ARG A 110 3.264 13.095 7.465 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.079 12.715 8.442 1.00 0.00 C ATOM 1696 NH1 ARG A 110 3.914 11.538 9.029 1.00 0.00 N ATOM 1697 NH2 ARG A 110 5.064 13.514 8.835 1.00 0.00 N ATOM 0 HA ARG A 110 0.824 14.294 3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.077 14.703 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.177 13.490 6.379 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.251 11.894 5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.517 13.104 5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.332 12.321 7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.473 11.238 6.913 1.00 0.00 H new ATOM 0 HE ARG A 110 3.420 14.007 7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.159 10.921 8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.542 11.250 9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.195 14.421 8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.690 13.221 9.586 1.00 0.00 H new ATOM 1711 N MET A 111 -0.584 12.207 3.272 1.00 0.00 N ATOM 1712 CA MET A 111 -1.494 11.175 2.789 1.00 0.00 C ATOM 1713 C MET A 111 -0.821 9.806 2.805 1.00 0.00 C ATOM 1714 O MET A 111 0.207 9.603 2.160 1.00 0.00 O ATOM 1715 CB MET A 111 -1.971 11.506 1.374 1.00 0.00 C ATOM 1716 CG MET A 111 -2.668 10.347 0.680 1.00 0.00 C ATOM 1717 SD MET A 111 -3.384 10.816 -0.906 1.00 0.00 S ATOM 1718 CE MET A 111 -1.911 11.244 -1.830 1.00 0.00 C ATOM 0 H MET A 111 0.398 12.040 3.053 1.00 0.00 H new ATOM 0 HA MET A 111 -2.355 11.144 3.456 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.653 12.355 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.115 11.816 0.774 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.954 9.538 0.527 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.454 9.960 1.329 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.857 12.326 -1.948 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.030 10.893 -1.293 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.948 10.774 -2.813 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.408 8.871 3.546 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.863 7.522 3.645 1.00 0.00 C ATOM 1730 C GLU A 112 -1.970 6.506 3.909 1.00 0.00 C ATOM 1731 O GLU A 112 -3.118 6.873 4.161 1.00 0.00 O ATOM 1732 CB GLU A 112 0.184 7.452 4.758 1.00 0.00 C ATOM 1733 CG GLU A 112 1.173 8.606 4.737 1.00 0.00 C ATOM 1734 CD GLU A 112 2.317 8.412 5.713 1.00 0.00 C ATOM 1735 OE1 GLU A 112 3.267 7.676 5.373 1.00 0.00 O ATOM 1736 OE2 GLU A 112 2.263 8.994 6.816 1.00 0.00 O ATOM 0 H GLU A 112 -2.260 9.023 4.086 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.389 7.278 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.324 7.437 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.732 6.514 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.575 8.717 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.650 9.532 4.976 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.617 5.226 3.848 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.580 4.156 4.078 1.00 0.00 C ATOM 1745 C PHE A 113 -1.909 2.951 4.730 1.00 0.00 C ATOM 1746 O PHE A 113 -0.747 2.652 4.458 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.235 3.738 2.760 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.463 2.688 2.014 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.352 1.402 2.516 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.846 2.989 0.809 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.642 0.434 1.831 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -1.135 2.025 0.120 1.00 0.00 C ATOM 1753 CZ PHE A 113 -1.032 0.746 0.632 1.00 0.00 C ATOM 0 H PHE A 113 -0.671 4.905 3.641 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.348 4.532 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.238 3.363 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.346 4.616 2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.826 1.153 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.922 3.988 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.564 -0.565 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.660 2.271 -0.818 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.476 -0.008 0.096 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.649 2.264 5.594 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.127 1.091 6.284 1.00 0.00 C ATOM 1765 C ALA A 114 -3.096 -0.082 6.184 1.00 0.00 C ATOM 1766 O ALA A 114 -4.282 0.052 6.487 1.00 0.00 O ATOM 1767 CB ALA A 114 -1.841 1.420 7.742 1.00 0.00 C ATOM 0 H ALA A 114 -3.612 2.500 5.833 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.195 0.800 5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.452 0.535 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.105 2.222 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.762 1.739 8.230 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.585 -1.232 5.758 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.406 -2.429 5.618 1.00 0.00 C ATOM 1775 C VAL A 115 -3.963 -2.873 6.966 1.00 0.00 C ATOM 1776 O VAL A 115 -3.254 -2.877 7.972 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.605 -3.590 4.999 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.506 -4.792 4.759 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.939 -3.146 3.705 1.00 0.00 C ATOM 0 H VAL A 115 -1.606 -1.361 5.504 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.231 -2.171 4.953 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.825 -3.885 5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.923 -5.602 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.932 -5.122 5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.310 -4.514 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.377 -3.978 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.701 -2.824 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.261 -2.318 3.910 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.238 -3.247 6.978 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.892 -3.692 8.203 1.00 0.00 C ATOM 1791 C TYR A 116 -6.458 -5.099 8.039 1.00 0.00 C ATOM 1792 O TYR A 116 -7.534 -5.285 7.469 1.00 0.00 O ATOM 1793 CB TYR A 116 -7.010 -2.722 8.590 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.167 -3.385 9.301 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -8.010 -3.929 10.570 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.420 -3.467 8.705 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -9.065 -4.537 11.223 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.481 -4.071 9.351 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.298 -4.605 10.610 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.352 -5.208 11.257 1.00 0.00 O ATOM 0 H TYR A 116 -5.839 -3.251 6.154 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.145 -3.711 8.997 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.598 -1.943 9.232 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.381 -2.230 7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -7.046 -3.876 11.054 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.567 -3.051 7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.925 -4.957 12.208 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.448 -4.125 8.873 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.161 -5.258 12.217 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.727 -6.086 8.543 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.154 -7.477 8.451 1.00 0.00 C ATOM 1812 C TYR A 117 -6.649 -7.986 9.802 1.00 0.00 C ATOM 1813 O TYR A 117 -5.864 -8.173 10.731 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.003 -8.354 7.955 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.249 -9.835 8.135 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.377 -10.443 7.598 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.352 -10.627 8.842 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.606 -11.795 7.761 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.572 -11.981 9.008 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.701 -12.560 8.467 1.00 0.00 C ATOM 1821 OH TYR A 117 -5.924 -13.908 8.630 1.00 0.00 O ATOM 0 H TYR A 117 -4.836 -5.949 9.020 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.977 -7.531 7.739 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.830 -8.149 6.899 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.092 -8.078 8.486 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.087 -9.848 7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.468 -10.177 9.269 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.489 -12.251 7.338 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.864 -12.583 9.558 1.00 0.00 H new ATOM 0 HH TYR A 117 -5.992 -14.115 9.585 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.956 -8.206 9.901 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.556 -8.693 11.138 1.00 0.00 C ATOM 1833 C GLU A 118 -8.800 -10.197 11.069 1.00 0.00 C ATOM 1834 O GLU A 118 -9.235 -10.720 10.042 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.873 -7.963 11.413 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.228 -7.883 12.888 1.00 0.00 C ATOM 1837 CD GLU A 118 -11.718 -7.730 13.122 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -12.479 -8.626 12.702 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -12.123 -6.714 13.726 1.00 0.00 O ATOM 0 H GLU A 118 -8.619 -8.055 9.141 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.861 -8.493 11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.810 -6.953 11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.678 -8.470 10.881 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.875 -8.783 13.392 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.705 -7.040 13.339 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.517 -10.887 12.169 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.705 -12.332 12.234 1.00 0.00 C ATOM 1848 C CYS A 119 -8.504 -12.843 13.657 1.00 0.00 C ATOM 1849 O CYS A 119 -7.711 -12.292 14.419 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.733 -13.036 11.285 1.00 0.00 C ATOM 1851 SG CYS A 119 -6.002 -12.941 11.797 1.00 0.00 S ATOM 0 H CYS A 119 -8.157 -10.469 13.027 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.727 -12.555 11.928 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.019 -14.085 11.202 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -7.831 -12.599 10.291 1.00 0.00 H new ATOM 0 HG CYS A 119 -5.249 -12.766 10.752 1.00 0.00 H new ATOM 1857 N ASN A 120 -9.231 -13.898 14.009 1.00 0.00 N ATOM 1858 CA ASN A 120 -9.135 -14.482 15.342 1.00 0.00 C ATOM 1859 C ASN A 120 -9.136 -13.395 16.413 1.00 0.00 C ATOM 1860 O ASN A 120 -8.354 -13.443 17.362 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.867 -15.330 15.461 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.965 -16.628 14.682 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -8.885 -17.419 14.886 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -7.012 -16.852 13.784 1.00 0.00 N ATOM 0 H ASN A 120 -9.893 -14.366 13.390 1.00 0.00 H new ATOM 0 HA ASN A 120 -10.005 -15.120 15.495 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.014 -14.756 15.100 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.679 -15.553 16.511 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.024 -17.708 13.230 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -6.268 -16.168 13.648 1.00 0.00 H new ATOM 1871 N GLY A 121 -10.020 -12.415 16.254 1.00 0.00 N ATOM 1872 CA GLY A 121 -10.107 -11.331 17.215 1.00 0.00 C ATOM 1873 C GLY A 121 -8.808 -10.560 17.337 1.00 0.00 C ATOM 1874 O GLY A 121 -8.427 -10.143 18.430 1.00 0.00 O ATOM 0 H GLY A 121 -10.678 -12.352 15.477 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.904 -10.649 16.918 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.379 -11.735 18.190 1.00 0.00 H new ATOM 1878 N GLN A 122 -8.125 -10.371 16.212 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.860 -9.647 16.199 1.00 0.00 C ATOM 1880 C GLN A 122 -6.833 -8.618 15.073 1.00 0.00 C ATOM 1881 O GLN A 122 -7.650 -8.667 14.153 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.692 -10.622 16.044 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.566 -11.609 17.193 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.572 -12.717 16.904 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -4.735 -13.377 15.764 1.00 0.00 O flip ATOM 1886 NE2 GLN A 122 -3.667 -12.977 17.698 1.00 0.00 N flip ATOM 0 H GLN A 122 -8.427 -10.709 15.298 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.761 -9.121 17.149 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.813 -11.175 15.113 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.765 -10.055 15.960 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.259 -11.076 18.093 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.543 -12.047 17.400 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.579 -12.444 18.563 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.006 -13.725 17.490 1.00 0.00 H new ATOM 1895 N THR A 123 -5.887 -7.687 15.152 1.00 0.00 N ATOM 1896 CA THR A 123 -5.754 -6.646 14.141 1.00 0.00 C ATOM 1897 C THR A 123 -4.293 -6.425 13.768 1.00 0.00 C ATOM 1898 O THR A 123 -3.490 -5.990 14.594 1.00 0.00 O ATOM 1899 CB THR A 123 -6.356 -5.313 14.624 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.709 -5.512 15.050 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.316 -4.268 13.519 1.00 0.00 C ATOM 0 H THR A 123 -5.202 -7.633 15.906 1.00 0.00 H new ATOM 0 HA THR A 123 -6.303 -6.987 13.263 1.00 0.00 H new ATOM 0 HB THR A 123 -5.760 -4.954 15.463 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.084 -4.660 15.357 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.747 -3.336 13.884 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.283 -4.097 13.217 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.890 -4.622 12.663 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.954 -6.726 12.519 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.587 -6.561 12.038 1.00 0.00 C ATOM 1911 C TYR A 124 -2.483 -5.369 11.092 1.00 0.00 C ATOM 1912 O TYR A 124 -3.267 -5.237 10.152 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.118 -7.832 11.327 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.138 -9.061 12.209 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.043 -9.392 12.997 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.253 -9.889 12.254 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.057 -10.514 13.803 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.276 -11.012 13.058 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.176 -11.321 13.830 1.00 0.00 C ATOM 1920 OH TYR A 124 -2.194 -12.438 14.633 1.00 0.00 O ATOM 0 H TYR A 124 -4.606 -7.085 11.822 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.945 -6.376 12.899 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.753 -8.008 10.458 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.105 -7.678 10.956 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.166 -8.762 12.979 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.116 -9.651 11.650 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.197 -10.758 14.409 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.151 -11.645 13.082 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.121 -12.722 14.778 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.509 -4.503 11.347 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.300 -3.321 10.519 1.00 0.00 C ATOM 1932 C TRP A 125 0.006 -3.427 9.739 1.00 0.00 C ATOM 1933 O TRP A 125 1.071 -3.640 10.319 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.290 -2.061 11.386 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.626 -1.744 11.987 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.043 -2.030 13.255 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.720 -1.080 11.343 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.330 -1.586 13.439 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.767 -0.998 12.281 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.915 -0.546 10.067 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -5.990 -0.405 11.981 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.130 0.042 9.770 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.155 0.110 10.723 1.00 0.00 C ATOM 0 H TRP A 125 -0.851 -4.597 12.121 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.123 -3.257 9.807 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.560 -2.185 12.186 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -0.961 -1.215 10.782 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.448 -2.532 14.004 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.872 -1.679 14.298 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.131 -0.592 9.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.781 -0.353 12.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.292 0.456 8.786 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.093 0.577 10.460 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.082 -3.276 8.422 1.00 0.00 N ATOM 1955 CA ASP A 126 1.094 -3.353 7.563 1.00 0.00 C ATOM 1956 C ASP A 126 1.318 -2.034 6.830 1.00 0.00 C ATOM 1957 O ASP A 126 0.667 -1.754 5.823 1.00 0.00 O ATOM 1958 CB ASP A 126 0.941 -4.492 6.554 1.00 0.00 C ATOM 1959 CG ASP A 126 2.258 -4.871 5.905 1.00 0.00 C ATOM 1960 OD1 ASP A 126 3.221 -5.163 6.644 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.325 -4.874 4.658 1.00 0.00 O ATOM 0 H ASP A 126 -0.956 -3.100 7.926 1.00 0.00 H new ATOM 0 HA ASP A 126 1.962 -3.550 8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.522 -5.364 7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.230 -4.197 5.782 1.00 0.00 H new ATOM 1966 N SER A 127 2.243 -1.228 7.342 1.00 0.00 N ATOM 1967 CA SER A 127 2.549 0.064 6.738 1.00 0.00 C ATOM 1968 C SER A 127 4.056 0.247 6.583 1.00 0.00 C ATOM 1969 O SER A 127 4.774 0.437 7.563 1.00 0.00 O ATOM 1970 CB SER A 127 1.972 1.198 7.588 1.00 0.00 C ATOM 1971 OG SER A 127 2.890 1.604 8.588 1.00 0.00 O ATOM 0 H SER A 127 2.793 -1.446 8.173 1.00 0.00 H new ATOM 0 HA SER A 127 2.092 0.092 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.726 2.047 6.949 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.043 0.871 8.054 1.00 0.00 H new ATOM 0 HG SER A 127 3.548 0.893 8.736 1.00 0.00 H new ATOM 1977 N ASN A 128 4.528 0.187 5.341 1.00 0.00 N ATOM 1978 CA ASN A 128 5.949 0.345 5.056 1.00 0.00 C ATOM 1979 C ASN A 128 6.798 -0.316 6.137 1.00 0.00 C ATOM 1980 O ASN A 128 7.924 0.106 6.401 1.00 0.00 O ATOM 1981 CB ASN A 128 6.307 1.829 4.947 1.00 0.00 C ATOM 1982 CG ASN A 128 5.822 2.447 3.650 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.150 1.794 2.852 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.162 3.712 3.434 1.00 0.00 N ATOM 0 H ASN A 128 3.947 0.030 4.517 1.00 0.00 H new ATOM 0 HA ASN A 128 6.159 -0.144 4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.871 2.368 5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.388 1.945 5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.865 4.181 2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.720 4.215 4.124 1.00 0.00 H new ATOM 1991 N ARG A 129 6.251 -1.355 6.759 1.00 0.00 N ATOM 1992 CA ARG A 129 6.957 -2.075 7.812 1.00 0.00 C ATOM 1993 C ARG A 129 7.831 -1.126 8.627 1.00 0.00 C ATOM 1994 O ARG A 129 8.912 -1.498 9.082 1.00 0.00 O ATOM 1995 CB ARG A 129 7.817 -3.188 7.210 1.00 0.00 C ATOM 1996 CG ARG A 129 8.865 -2.685 6.230 1.00 0.00 C ATOM 1997 CD ARG A 129 9.801 -3.802 5.794 1.00 0.00 C ATOM 1998 NE ARG A 129 11.074 -3.286 5.300 1.00 0.00 N ATOM 1999 CZ ARG A 129 11.988 -2.716 6.077 1.00 0.00 C ATOM 2000 NH1 ARG A 129 11.771 -2.589 7.379 1.00 0.00 N ATOM 2001 NH2 ARG A 129 13.123 -2.271 5.552 1.00 0.00 N ATOM 0 H ARG A 129 5.320 -1.717 6.552 1.00 0.00 H new ATOM 0 HA ARG A 129 6.215 -2.518 8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.315 -3.727 8.016 1.00 0.00 H new ATOM 0 HB3 ARG A 129 7.169 -3.902 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 129 8.373 -2.259 5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 129 9.442 -1.884 6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 129 9.983 -4.472 6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 129 9.322 -4.393 5.013 1.00 0.00 H new ATOM 0 HE ARG A 129 11.273 -3.368 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 129 10.900 -2.930 7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 129 12.475 -2.151 7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 129 13.294 -2.367 4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 129 13.824 -1.833 6.150 1.00 0.00 H new ATOM 2015 N GLY A 130 7.355 0.103 8.805 1.00 0.00 N ATOM 2016 CA GLY A 130 8.106 1.086 9.564 1.00 0.00 C ATOM 2017 C GLY A 130 7.253 2.265 9.989 1.00 0.00 C ATOM 2018 O GLY A 130 6.628 2.240 11.049 1.00 0.00 O ATOM 0 H GLY A 130 6.463 0.435 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.530 0.611 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.942 1.444 8.963 1.00 0.00 H new ATOM 2022 N LYS A 131 7.228 3.304 9.160 1.00 0.00 N ATOM 2023 CA LYS A 131 6.447 4.499 9.454 1.00 0.00 C ATOM 2024 C LYS A 131 5.041 4.386 8.873 1.00 0.00 C ATOM 2025 O LYS A 131 4.077 4.144 9.598 1.00 0.00 O ATOM 2026 CB LYS A 131 7.144 5.740 8.893 1.00 0.00 C ATOM 2027 CG LYS A 131 8.186 6.328 9.829 1.00 0.00 C ATOM 2028 CD LYS A 131 8.329 7.828 9.632 1.00 0.00 C ATOM 2029 CE LYS A 131 9.387 8.154 8.588 1.00 0.00 C ATOM 2030 NZ LYS A 131 9.770 9.593 8.617 1.00 0.00 N ATOM 0 H LYS A 131 7.740 3.342 8.279 1.00 0.00 H new ATOM 0 HA LYS A 131 6.367 4.593 10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.621 5.482 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.394 6.500 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 131 7.907 6.121 10.862 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.147 5.844 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.371 8.249 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.594 8.297 10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.270 7.540 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.011 7.898 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.493 9.775 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.932 10.179 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.153 9.832 9.554 1.00 0.00 H new ATOM 2044 N ASN A 132 4.932 4.562 7.560 1.00 0.00 N ATOM 2045 CA ASN A 132 3.644 4.479 6.882 1.00 0.00 C ATOM 2046 C ASN A 132 3.814 4.617 5.372 1.00 0.00 C ATOM 2047 O ASN A 132 4.810 5.162 4.896 1.00 0.00 O ATOM 2048 CB ASN A 132 2.700 5.565 7.402 1.00 0.00 C ATOM 2049 CG ASN A 132 3.440 6.813 7.842 1.00 0.00 C ATOM 2050 OD1 ASN A 132 4.539 7.098 7.364 1.00 0.00 O ATOM 2051 ND2 ASN A 132 2.841 7.565 8.758 1.00 0.00 N ATOM 0 H ASN A 132 5.720 4.763 6.945 1.00 0.00 H new ATOM 0 HA ASN A 132 3.213 3.500 7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 132 1.986 5.826 6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.126 5.172 8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 132 3.292 8.417 9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 132 1.930 7.291 9.127 1.00 0.00 H new ATOM 2058 N TYR A 133 2.835 4.121 4.624 1.00 0.00 N ATOM 2059 CA TYR A 133 2.877 4.186 3.168 1.00 0.00 C ATOM 2060 C TYR A 133 2.732 5.626 2.684 1.00 0.00 C ATOM 2061 O TYR A 133 1.623 6.153 2.590 1.00 0.00 O ATOM 2062 CB TYR A 133 1.769 3.320 2.566 1.00 0.00 C ATOM 2063 CG TYR A 133 2.139 1.859 2.449 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.038 1.426 1.482 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.590 0.912 3.304 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.379 0.092 1.370 1.00 0.00 C ATOM 2067 CE2 TYR A 133 1.926 -0.424 3.200 1.00 0.00 C ATOM 2068 CZ TYR A 133 2.821 -0.829 2.232 1.00 0.00 C ATOM 2069 OH TYR A 133 3.157 -2.159 2.125 1.00 0.00 O ATOM 0 H TYR A 133 2.002 3.669 5.002 1.00 0.00 H new ATOM 0 HA TYR A 133 3.844 3.806 2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 133 0.874 3.411 3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.517 3.703 1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.478 2.145 0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.889 1.225 4.063 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.078 -0.228 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.490 -1.147 3.873 1.00 0.00 H new ATOM 0 HH TYR A 133 2.677 -2.674 2.807 1.00 0.00 H new ATOM 2079 N ARG A 134 3.861 6.256 2.377 1.00 0.00 N ATOM 2080 CA ARG A 134 3.862 7.635 1.903 1.00 0.00 C ATOM 2081 C ARG A 134 3.459 7.704 0.433 1.00 0.00 C ATOM 2082 O ARG A 134 3.964 6.946 -0.396 1.00 0.00 O ATOM 2083 CB ARG A 134 5.245 8.261 2.093 1.00 0.00 C ATOM 2084 CG ARG A 134 5.432 9.566 1.337 1.00 0.00 C ATOM 2085 CD ARG A 134 4.632 10.695 1.968 1.00 0.00 C ATOM 2086 NE ARG A 134 5.101 11.012 3.315 1.00 0.00 N ATOM 2087 CZ ARG A 134 4.877 12.175 3.916 1.00 0.00 C ATOM 2088 NH1 ARG A 134 4.194 13.126 3.294 1.00 0.00 N ATOM 2089 NH2 ARG A 134 5.336 12.388 5.143 1.00 0.00 N ATOM 0 H ARG A 134 4.787 5.834 2.448 1.00 0.00 H new ATOM 0 HA ARG A 134 3.133 8.195 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.411 8.439 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.004 7.550 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 134 6.489 9.831 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 134 5.123 9.435 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 134 4.703 11.584 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 134 3.579 10.415 2.007 1.00 0.00 H new ATOM 0 HE ARG A 134 5.629 10.301 3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 134 3.839 12.965 2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 134 4.024 14.018 3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 134 5.861 11.658 5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 134 5.164 13.281 5.604 1.00 0.00 H new ATOM 2103 N ILE A 135 2.546 8.617 0.118 1.00 0.00 N ATOM 2104 CA ILE A 135 2.076 8.785 -1.251 1.00 0.00 C ATOM 2105 C ILE A 135 2.267 10.221 -1.726 1.00 0.00 C ATOM 2106 O ILE A 135 1.493 11.111 -1.372 1.00 0.00 O ATOM 2107 CB ILE A 135 0.589 8.405 -1.387 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.372 6.949 -0.970 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.113 8.630 -2.814 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -1.079 6.524 -0.994 1.00 0.00 C ATOM 0 H ILE A 135 2.118 9.251 0.792 1.00 0.00 H new ATOM 0 HA ILE A 135 2.672 8.117 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 135 0.004 9.044 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.943 6.300 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.768 6.804 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.939 8.357 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.236 9.681 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.700 8.014 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.158 5.481 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.652 7.148 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.474 6.636 -2.004 1.00 0.00 H new ATOM 2122 N ILE A 136 3.302 10.440 -2.531 1.00 0.00 N ATOM 2123 CA ILE A 136 3.593 11.768 -3.056 1.00 0.00 C ATOM 2124 C ILE A 136 3.341 11.832 -4.559 1.00 0.00 C ATOM 2125 O ILE A 136 3.177 10.803 -5.215 1.00 0.00 O ATOM 2126 CB ILE A 136 5.050 12.178 -2.774 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.015 11.278 -3.548 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.339 12.114 -1.281 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.459 11.723 -3.459 1.00 0.00 C ATOM 0 H ILE A 136 3.952 9.715 -2.833 1.00 0.00 H new ATOM 0 HA ILE A 136 2.924 12.462 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 136 5.194 13.205 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 136 5.933 10.260 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.715 11.253 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.373 12.407 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 136 4.670 12.793 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.181 11.097 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.086 11.039 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.555 12.730 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 136 7.777 11.721 -2.416 1.00 0.00 H new ATOM 2141 N ARG A 137 3.312 13.046 -5.097 1.00 0.00 N ATOM 2142 CA ARG A 137 3.081 13.245 -6.523 1.00 0.00 C ATOM 2143 C ARG A 137 4.283 12.780 -7.339 1.00 0.00 C ATOM 2144 O ARG A 137 5.355 12.523 -6.792 1.00 0.00 O ATOM 2145 CB ARG A 137 2.792 14.719 -6.814 1.00 0.00 C ATOM 2146 CG ARG A 137 1.960 14.941 -8.067 1.00 0.00 C ATOM 2147 CD ARG A 137 1.096 16.187 -7.948 1.00 0.00 C ATOM 2148 NE ARG A 137 1.857 17.406 -8.204 1.00 0.00 N ATOM 2149 CZ ARG A 137 2.320 17.747 -9.402 1.00 0.00 C ATOM 2150 NH1 ARG A 137 2.099 16.963 -10.448 1.00 0.00 N ATOM 2151 NH2 ARG A 137 3.004 18.873 -9.555 1.00 0.00 N ATOM 0 H ARG A 137 3.446 13.907 -4.567 1.00 0.00 H new ATOM 0 HA ARG A 137 2.216 12.649 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.271 15.154 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.737 15.252 -6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.618 15.035 -8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.326 14.072 -8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.267 16.122 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.662 16.233 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 137 2.044 18.031 -7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 137 1.573 16.097 -10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.455 17.226 -11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 137 3.175 19.479 -8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 137 3.359 19.133 -10.475 1.00 0.00 H new ATOM 2165 N ALA A 138 4.097 12.674 -8.650 1.00 0.00 N ATOM 2166 CA ALA A 138 5.166 12.241 -9.542 1.00 0.00 C ATOM 2167 C ALA A 138 6.231 13.323 -9.687 1.00 0.00 C ATOM 2168 O ALA A 138 7.415 13.024 -9.839 1.00 0.00 O ATOM 2169 CB ALA A 138 4.599 11.869 -10.904 1.00 0.00 C ATOM 0 H ALA A 138 3.215 12.882 -9.119 1.00 0.00 H new ATOM 0 HA ALA A 138 5.637 11.361 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.408 11.548 -11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.881 11.057 -10.790 1.00 0.00 H new ATOM 0 HB3 ALA A 138 4.101 12.735 -11.340 1.00 0.00 H new ATOM 2175 N GLU A 139 5.801 14.580 -9.640 1.00 0.00 N ATOM 2176 CA GLU A 139 6.719 15.706 -9.769 1.00 0.00 C ATOM 2177 C GLU A 139 7.874 15.581 -8.780 1.00 0.00 C ATOM 2178 O GLU A 139 8.976 16.073 -9.029 1.00 0.00 O ATOM 2179 CB GLU A 139 5.978 17.025 -9.540 1.00 0.00 C ATOM 2180 CG GLU A 139 5.291 17.112 -8.188 1.00 0.00 C ATOM 2181 CD GLU A 139 5.129 18.540 -7.706 1.00 0.00 C ATOM 2182 OE1 GLU A 139 5.941 19.399 -8.109 1.00 0.00 O ATOM 2183 OE2 GLU A 139 4.188 18.800 -6.927 1.00 0.00 O ATOM 0 H GLU A 139 4.824 14.844 -9.514 1.00 0.00 H new ATOM 0 HA GLU A 139 7.126 15.697 -10.780 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.685 17.850 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.233 17.154 -10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.310 16.641 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 139 5.868 16.548 -7.455 1.00 0.00 H new