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 127 SER OG : rot 50:sc= 1.02 USER MOD Set 1.2: A 132 ASN : amide:sc= -2.73! C(o=-1.7!,f=-5.9!) USER MOD Set 2.1: A 117 TYR OH : rot -98:sc= -0.253! USER MOD Set 2.2: A 119 CYS SG : rot -66:sc= -2.29! USER MOD Set 2.3: A 120 ASN : amide:sc= -2.2 K(o=-4.7,f=-4.1) USER MOD Set 3.1: A 53 LYS NZ :NH3+ 174:sc= 0.057 (180deg=0.000595) USER MOD Set 3.2: A 94 THR OG1 : rot 180:sc= 0.0428 USER MOD Set 4.1: A 40 ASN : amide:sc= 0.581 K(o=0.91,f=-2.1) USER MOD Set 4.2: A 51 THR OG1 : rot -87:sc= 0.331 USER MOD Set 5.1: A 35 HIS : no HE2:sc= -1.98 K(o=-1.7,f=-6.8!) USER MOD Set 5.2: A 55 GLN : amide:sc= 0.252 K(o=-1.7,f=-3.3) USER MOD Single : A 12 SER OG : rot -22:sc= 0.349 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0594 X(o=-0.059,f=-0.052) USER MOD Single : A 21 SER OG : rot 180:sc= -0.006 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.55! K(o=-2.5!,f=-0.96) USER MOD Single : A 32 GLN : amide:sc= -2.09 K(o=-2.1,f=-4!) USER MOD Single : A 37 CYS SG : rot -124:sc= -0.718 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -1.17 (180deg=-1.66) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ -140:sc=-0.00348 (180deg=-0.338) 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 -130:sc= -0.0113 (180deg=-0.722) USER MOD Single : A 68 THR OG1 : rot 120:sc= -0.176 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 136:sc= -1.27 (180deg=-3.12!) 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 -170:sc= -0.829 USER MOD Single : A 81 GLN : amide:sc= -1.05 K(o=-1,f=-0.32) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.953 USER MOD Single : A 100 SER OG : rot 35:sc= 0.241 USER MOD Single : A 111 MET CE :methyl -111:sc= -1.3 (180deg=-4.56!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.099) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -5.9! C(o=-5.9!,f=-9.6!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.058 12.958 -13.014 1.00 0.00 N ATOM 118 CA SER A 12 -0.168 11.686 -12.311 1.00 0.00 C ATOM 119 C SER A 12 0.720 11.671 -11.070 1.00 0.00 C ATOM 120 O SER A 12 1.616 12.503 -10.924 1.00 0.00 O ATOM 121 CB SER A 12 0.215 10.531 -13.239 1.00 0.00 C ATOM 122 OG SER A 12 1.359 10.855 -14.010 1.00 0.00 O ATOM 0 HA SER A 12 -1.204 11.563 -11.996 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.412 9.636 -12.649 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.620 10.300 -13.901 1.00 0.00 H new ATOM 0 HG SER A 12 1.454 11.829 -14.060 1.00 0.00 H new ATOM 128 N PHE A 13 0.464 10.720 -10.178 1.00 0.00 N ATOM 129 CA PHE A 13 1.238 10.597 -8.949 1.00 0.00 C ATOM 130 C PHE A 13 2.083 9.327 -8.963 1.00 0.00 C ATOM 131 O PHE A 13 2.003 8.525 -9.894 1.00 0.00 O ATOM 132 CB PHE A 13 0.308 10.590 -7.734 1.00 0.00 C ATOM 133 CG PHE A 13 -0.268 11.940 -7.412 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.235 12.507 -8.226 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.158 12.641 -6.295 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.765 13.749 -7.932 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.369 13.883 -5.996 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.333 14.437 -6.815 1.00 0.00 C ATOM 0 H PHE A 13 -0.274 10.023 -10.283 1.00 0.00 H new ATOM 0 HA PHE A 13 1.906 11.456 -8.883 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.507 9.890 -7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.858 10.222 -6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.578 11.973 -9.100 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.911 12.212 -5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.517 14.182 -8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.027 14.420 -5.123 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.748 15.406 -6.583 1.00 0.00 H new ATOM 148 N VAL A 14 2.894 9.151 -7.925 1.00 0.00 N ATOM 149 CA VAL A 14 3.755 7.979 -7.817 1.00 0.00 C ATOM 150 C VAL A 14 3.987 7.600 -6.358 1.00 0.00 C ATOM 151 O VAL A 14 3.593 8.328 -5.446 1.00 0.00 O ATOM 152 CB VAL A 14 5.116 8.217 -8.497 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.930 8.504 -9.979 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.860 9.355 -7.814 1.00 0.00 C ATOM 0 H VAL A 14 2.973 9.805 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 14 3.242 7.162 -8.325 1.00 0.00 H new ATOM 0 HB VAL A 14 5.715 7.311 -8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.903 8.670 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.441 7.654 -10.456 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.313 9.394 -10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.820 9.510 -8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.267 10.268 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.027 9.104 -6.766 1.00 0.00 H new ATOM 164 N LEU A 15 4.628 6.456 -6.145 1.00 0.00 N ATOM 165 CA LEU A 15 4.914 5.979 -4.796 1.00 0.00 C ATOM 166 C LEU A 15 6.360 6.272 -4.410 1.00 0.00 C ATOM 167 O LEU A 15 7.275 6.105 -5.218 1.00 0.00 O ATOM 168 CB LEU A 15 4.641 4.478 -4.697 1.00 0.00 C ATOM 169 CG LEU A 15 3.263 4.013 -5.170 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.334 2.589 -5.701 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.249 4.113 -4.041 1.00 0.00 C ATOM 0 H LEU A 15 4.960 5.842 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 15 4.259 6.507 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.399 3.952 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.768 4.174 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 15 2.939 4.666 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.345 2.275 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.028 2.548 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.680 1.923 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.275 3.778 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.568 3.485 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.177 5.148 -3.707 1.00 0.00 H new ATOM 183 N ASP A 16 6.560 6.707 -3.171 1.00 0.00 N ATOM 184 CA ASP A 16 7.896 7.020 -2.677 1.00 0.00 C ATOM 185 C ASP A 16 8.496 5.825 -1.941 1.00 0.00 C ATOM 186 O ASP A 16 9.296 5.989 -1.019 1.00 0.00 O ATOM 187 CB ASP A 16 7.848 8.234 -1.749 1.00 0.00 C ATOM 188 CG ASP A 16 9.149 9.013 -1.746 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.896 8.921 -2.742 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.420 9.713 -0.748 1.00 0.00 O ATOM 0 H ASP A 16 5.814 6.851 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 16 8.529 7.252 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.035 8.891 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.623 7.904 -0.735 1.00 0.00 H new ATOM 195 N PHE A 17 8.104 4.625 -2.354 1.00 0.00 N ATOM 196 CA PHE A 17 8.602 3.403 -1.733 1.00 0.00 C ATOM 197 C PHE A 17 8.683 2.269 -2.752 1.00 0.00 C ATOM 198 O PHE A 17 7.866 2.184 -3.669 1.00 0.00 O ATOM 199 CB PHE A 17 7.699 2.993 -0.568 1.00 0.00 C ATOM 200 CG PHE A 17 6.250 2.874 -0.946 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.793 1.775 -1.655 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.345 3.862 -0.592 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.460 1.662 -2.004 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.011 3.754 -0.938 1.00 0.00 C ATOM 205 CZ PHE A 17 3.568 2.654 -1.646 1.00 0.00 C ATOM 0 H PHE A 17 7.443 4.472 -3.116 1.00 0.00 H new ATOM 0 HA PHE A 17 9.605 3.600 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.042 2.038 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.798 3.725 0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.486 0.997 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.686 4.726 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.117 0.799 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.315 4.530 -0.655 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.527 2.570 -1.919 1.00 0.00 H new ATOM 215 N SER A 18 9.674 1.400 -2.584 1.00 0.00 N ATOM 216 CA SER A 18 9.866 0.274 -3.490 1.00 0.00 C ATOM 217 C SER A 18 8.855 -0.832 -3.203 1.00 0.00 C ATOM 218 O SER A 18 8.419 -1.008 -2.066 1.00 0.00 O ATOM 219 CB SER A 18 11.289 -0.274 -3.363 1.00 0.00 C ATOM 220 OG SER A 18 12.249 0.741 -3.599 1.00 0.00 O ATOM 0 H SER A 18 10.357 1.454 -1.828 1.00 0.00 H new ATOM 0 HA SER A 18 9.711 0.629 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.434 -0.691 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.433 -1.088 -4.073 1.00 0.00 H new ATOM 0 HG SER A 18 13.150 0.366 -3.510 1.00 0.00 H new ATOM 226 N GLN A 19 8.488 -1.573 -4.243 1.00 0.00 N ATOM 227 CA GLN A 19 7.528 -2.662 -4.104 1.00 0.00 C ATOM 228 C GLN A 19 8.031 -3.709 -3.115 1.00 0.00 C ATOM 229 O GLN A 19 9.210 -4.063 -3.096 1.00 0.00 O ATOM 230 CB GLN A 19 7.262 -3.313 -5.462 1.00 0.00 C ATOM 231 CG GLN A 19 6.907 -2.317 -6.555 1.00 0.00 C ATOM 232 CD GLN A 19 5.920 -1.265 -6.088 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.205 -0.068 -6.130 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.752 -1.707 -5.639 1.00 0.00 N ATOM 0 H GLN A 19 8.840 -1.440 -5.191 1.00 0.00 H new ATOM 0 HA GLN A 19 6.597 -2.244 -3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.146 -3.874 -5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.449 -4.031 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.816 -1.827 -6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.486 -2.852 -7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.558 -2.708 -5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.048 -1.045 -5.311 1.00 0.00 H new ATOM 243 N PRO A 20 7.119 -4.216 -2.274 1.00 0.00 N ATOM 244 CA PRO A 20 7.447 -5.230 -1.267 1.00 0.00 C ATOM 245 C PRO A 20 7.768 -6.583 -1.891 1.00 0.00 C ATOM 246 O PRO A 20 8.739 -7.238 -1.511 1.00 0.00 O ATOM 247 CB PRO A 20 6.173 -5.318 -0.424 1.00 0.00 C ATOM 248 CG PRO A 20 5.083 -4.874 -1.337 1.00 0.00 C ATOM 249 CD PRO A 20 5.695 -3.840 -2.241 1.00 0.00 C ATOM 0 HA PRO A 20 8.335 -4.964 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.003 -6.334 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.236 -4.679 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.690 -5.712 -1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.249 -4.455 -0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.250 -3.862 -3.236 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.554 -2.832 -1.851 1.00 0.00 H new ATOM 257 N SER A 21 6.947 -6.998 -2.850 1.00 0.00 N ATOM 258 CA SER A 21 7.142 -8.276 -3.525 1.00 0.00 C ATOM 259 C SER A 21 8.596 -8.448 -3.953 1.00 0.00 C ATOM 260 O SER A 21 9.160 -9.537 -3.852 1.00 0.00 O ATOM 261 CB SER A 21 6.224 -8.379 -4.744 1.00 0.00 C ATOM 262 OG SER A 21 6.571 -7.418 -5.726 1.00 0.00 O ATOM 0 H SER A 21 6.140 -6.467 -3.177 1.00 0.00 H new ATOM 0 HA SER A 21 6.892 -9.071 -2.823 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.291 -9.380 -5.170 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.189 -8.232 -4.437 1.00 0.00 H new ATOM 0 HG SER A 21 5.971 -7.505 -6.496 1.00 0.00 H new ATOM 268 N ALA A 22 9.198 -7.363 -4.431 1.00 0.00 N ATOM 269 CA ALA A 22 10.586 -7.392 -4.873 1.00 0.00 C ATOM 270 C ALA A 22 11.425 -8.306 -3.987 1.00 0.00 C ATOM 271 O ALA A 22 12.284 -9.042 -4.475 1.00 0.00 O ATOM 272 CB ALA A 22 11.166 -5.986 -4.883 1.00 0.00 C ATOM 0 H ALA A 22 8.745 -6.453 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 22 10.610 -7.790 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.203 -6.023 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.589 -5.359 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.122 -5.567 -3.878 1.00 0.00 H new ATOM 278 N ASP A 23 11.172 -8.255 -2.684 1.00 0.00 N ATOM 279 CA ASP A 23 11.905 -9.079 -1.730 1.00 0.00 C ATOM 280 C ASP A 23 11.010 -10.174 -1.158 1.00 0.00 C ATOM 281 O ASP A 23 10.227 -9.933 -0.238 1.00 0.00 O ATOM 282 CB ASP A 23 12.460 -8.214 -0.597 1.00 0.00 C ATOM 283 CG ASP A 23 13.716 -7.467 -1.001 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.549 -8.054 -1.723 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.865 -6.296 -0.596 1.00 0.00 O ATOM 0 H ASP A 23 10.465 -7.652 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 23 12.735 -9.550 -2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.700 -7.498 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.677 -8.845 0.265 1.00 0.00 H new ATOM 290 N TYR A 24 11.129 -11.376 -1.710 1.00 0.00 N ATOM 291 CA TYR A 24 10.329 -12.508 -1.257 1.00 0.00 C ATOM 292 C TYR A 24 10.523 -12.751 0.236 1.00 0.00 C ATOM 293 O TYR A 24 9.577 -13.080 0.952 1.00 0.00 O ATOM 294 CB TYR A 24 10.698 -13.768 -2.043 1.00 0.00 C ATOM 295 CG TYR A 24 9.738 -14.916 -1.831 1.00 0.00 C ATOM 296 CD1 TYR A 24 8.504 -14.942 -2.469 1.00 0.00 C ATOM 297 CD2 TYR A 24 10.065 -15.975 -0.993 1.00 0.00 C ATOM 298 CE1 TYR A 24 7.623 -15.989 -2.279 1.00 0.00 C ATOM 299 CE2 TYR A 24 9.191 -17.027 -0.798 1.00 0.00 C ATOM 300 CZ TYR A 24 7.972 -17.030 -1.443 1.00 0.00 C ATOM 301 OH TYR A 24 7.098 -18.075 -1.250 1.00 0.00 O ATOM 0 H TYR A 24 11.772 -11.592 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 24 9.280 -12.272 -1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.733 -13.526 -3.105 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.700 -14.085 -1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.229 -14.129 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.018 -15.976 -0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.667 -15.993 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.461 -17.843 -0.144 1.00 0.00 H new ATOM 0 HH TYR A 24 7.496 -18.725 -0.634 1.00 0.00 H new ATOM 311 N LEU A 25 11.757 -12.585 0.699 1.00 0.00 N ATOM 312 CA LEU A 25 12.079 -12.785 2.108 1.00 0.00 C ATOM 313 C LEU A 25 11.536 -11.641 2.958 1.00 0.00 C ATOM 314 O LEU A 25 10.732 -11.856 3.866 1.00 0.00 O ATOM 315 CB LEU A 25 13.593 -12.901 2.295 1.00 0.00 C ATOM 316 CG LEU A 25 14.174 -14.312 2.203 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.532 -15.223 3.237 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.986 -14.876 0.802 1.00 0.00 C ATOM 0 H LEU A 25 12.551 -12.312 0.120 1.00 0.00 H new ATOM 0 HA LEU A 25 11.607 -13.712 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.080 -12.279 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.852 -12.486 3.269 1.00 0.00 H new ATOM 0 HG LEU A 25 15.243 -14.258 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.958 -16.223 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.719 -14.829 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.457 -15.272 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.406 -15.881 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.923 -14.915 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.495 -14.236 0.081 1.00 0.00 H new ATOM 330 N ASP A 26 11.979 -10.425 2.657 1.00 0.00 N ATOM 331 CA ASP A 26 11.535 -9.246 3.391 1.00 0.00 C ATOM 332 C ASP A 26 10.015 -9.121 3.350 1.00 0.00 C ATOM 333 O ASP A 26 9.420 -8.397 4.149 1.00 0.00 O ATOM 334 CB ASP A 26 12.178 -7.986 2.810 1.00 0.00 C ATOM 335 CG ASP A 26 11.900 -6.755 3.650 1.00 0.00 C ATOM 336 OD1 ASP A 26 11.755 -6.897 4.883 1.00 0.00 O ATOM 337 OD2 ASP A 26 11.828 -5.649 3.075 1.00 0.00 O ATOM 0 H ASP A 26 12.645 -10.230 1.910 1.00 0.00 H new ATOM 0 HA ASP A 26 11.845 -9.357 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.255 -8.134 2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.805 -7.824 1.799 1.00 0.00 H new ATOM 342 N PHE A 27 9.393 -9.830 2.415 1.00 0.00 N ATOM 343 CA PHE A 27 7.942 -9.797 2.268 1.00 0.00 C ATOM 344 C PHE A 27 7.282 -10.851 3.153 1.00 0.00 C ATOM 345 O PHE A 27 6.440 -10.533 3.993 1.00 0.00 O ATOM 346 CB PHE A 27 7.550 -10.023 0.807 1.00 0.00 C ATOM 347 CG PHE A 27 6.083 -10.278 0.612 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.537 -11.517 0.908 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.250 -9.280 0.133 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.187 -11.755 0.731 1.00 0.00 C ATOM 351 CE2 PHE A 27 3.900 -9.513 -0.047 1.00 0.00 C ATOM 352 CZ PHE A 27 3.368 -10.752 0.252 1.00 0.00 C ATOM 0 H PHE A 27 9.871 -10.435 1.747 1.00 0.00 H new ATOM 0 HA PHE A 27 7.592 -8.813 2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.840 -9.150 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.113 -10.870 0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.174 -12.306 1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.660 -8.309 -0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.773 -12.724 0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.261 -8.727 -0.421 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.313 -10.936 0.111 1.00 0.00 H new ATOM 362 N ARG A 28 7.671 -12.107 2.956 1.00 0.00 N ATOM 363 CA ARG A 28 7.116 -13.208 3.733 1.00 0.00 C ATOM 364 C ARG A 28 7.256 -12.942 5.230 1.00 0.00 C ATOM 365 O ARG A 28 6.386 -13.308 6.019 1.00 0.00 O ATOM 366 CB ARG A 28 7.815 -14.520 3.370 1.00 0.00 C ATOM 367 CG ARG A 28 9.083 -14.776 4.170 1.00 0.00 C ATOM 368 CD ARG A 28 9.621 -16.177 3.927 1.00 0.00 C ATOM 369 NE ARG A 28 10.566 -16.587 4.962 1.00 0.00 N ATOM 370 CZ ARG A 28 10.828 -17.856 5.256 1.00 0.00 C ATOM 371 NH1 ARG A 28 10.221 -18.832 4.597 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.701 -18.150 6.212 1.00 0.00 N ATOM 0 H ARG A 28 8.368 -12.387 2.265 1.00 0.00 H new ATOM 0 HA ARG A 28 6.056 -13.290 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.122 -15.347 3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.061 -14.509 2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.841 -14.042 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.878 -14.643 5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.791 -16.883 3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.111 -16.214 2.954 1.00 0.00 H new ATOM 0 HE ARG A 28 11.051 -15.860 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.550 -18.610 3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.425 -19.805 4.825 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.171 -17.402 6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.902 -19.124 6.437 1.00 0.00 H new ATOM 386 N ASN A 29 8.357 -12.304 5.612 1.00 0.00 N ATOM 387 CA ASN A 29 8.611 -11.990 7.013 1.00 0.00 C ATOM 388 C ASN A 29 7.434 -11.235 7.624 1.00 0.00 C ATOM 389 O ASN A 29 7.106 -11.419 8.796 1.00 0.00 O ATOM 390 CB ASN A 29 9.888 -11.159 7.147 1.00 0.00 C ATOM 391 CG ASN A 29 11.142 -12.003 7.026 1.00 0.00 C ATOM 392 OD1 ASN A 29 11.371 -12.913 7.823 1.00 0.00 O ATOM 393 ND2 ASN A 29 11.963 -11.703 6.026 1.00 0.00 N ATOM 0 H ASN A 29 9.088 -11.994 4.971 1.00 0.00 H new ATOM 0 HA ASN A 29 8.737 -12.929 7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.898 -10.386 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.888 -10.650 8.111 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.823 -12.235 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.733 -10.940 5.389 1.00 0.00 H new ATOM 400 N ARG A 30 6.801 -10.387 6.820 1.00 0.00 N ATOM 401 CA ARG A 30 5.660 -9.604 7.281 1.00 0.00 C ATOM 402 C ARG A 30 4.389 -10.447 7.287 1.00 0.00 C ATOM 403 O ARG A 30 3.537 -10.299 8.164 1.00 0.00 O ATOM 404 CB ARG A 30 5.466 -8.375 6.392 1.00 0.00 C ATOM 405 CG ARG A 30 6.762 -7.658 6.050 1.00 0.00 C ATOM 406 CD ARG A 30 7.411 -7.060 7.288 1.00 0.00 C ATOM 407 NE ARG A 30 6.457 -6.304 8.095 1.00 0.00 N ATOM 408 CZ ARG A 30 6.631 -6.042 9.386 1.00 0.00 C ATOM 409 NH1 ARG A 30 7.717 -6.472 10.012 1.00 0.00 N ATOM 410 NH2 ARG A 30 5.718 -5.347 10.052 1.00 0.00 N ATOM 0 H ARG A 30 7.059 -10.224 5.847 1.00 0.00 H new ATOM 0 HA ARG A 30 5.863 -9.278 8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.975 -8.680 5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.796 -7.677 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.452 -8.357 5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.562 -6.869 5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.844 -7.858 7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.230 -6.406 6.988 1.00 0.00 H new ATOM 0 HE ARG A 30 5.611 -5.958 7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.422 -7.005 9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.848 -6.270 11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.882 -5.013 9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.852 -5.146 11.043 1.00 0.00 H new ATOM 424 N LEU A 31 4.267 -11.332 6.303 1.00 0.00 N ATOM 425 CA LEU A 31 3.099 -12.199 6.194 1.00 0.00 C ATOM 426 C LEU A 31 3.190 -13.361 7.177 1.00 0.00 C ATOM 427 O LEU A 31 2.215 -14.079 7.396 1.00 0.00 O ATOM 428 CB LEU A 31 2.968 -12.733 4.766 1.00 0.00 C ATOM 429 CG LEU A 31 1.681 -13.496 4.451 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.550 -12.529 4.137 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.901 -14.457 3.292 1.00 0.00 C ATOM 0 H LEU A 31 4.963 -11.468 5.570 1.00 0.00 H new ATOM 0 HA LEU A 31 2.215 -11.610 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.047 -11.893 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.815 -13.390 4.566 1.00 0.00 H new ATOM 0 HG LEU A 31 1.401 -14.077 5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.358 -13.090 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.376 -11.882 4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.820 -11.921 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.975 -14.991 3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.206 -13.897 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.681 -15.172 3.555 1.00 0.00 H new ATOM 443 N GLN A 32 4.368 -13.539 7.768 1.00 0.00 N ATOM 444 CA GLN A 32 4.585 -14.613 8.730 1.00 0.00 C ATOM 445 C GLN A 32 4.643 -14.066 10.153 1.00 0.00 C ATOM 446 O GLN A 32 4.221 -14.728 11.100 1.00 0.00 O ATOM 447 CB GLN A 32 5.878 -15.363 8.406 1.00 0.00 C ATOM 448 CG GLN A 32 6.265 -16.391 9.456 1.00 0.00 C ATOM 449 CD GLN A 32 5.158 -17.390 9.731 1.00 0.00 C ATOM 450 OE1 GLN A 32 4.051 -17.015 10.121 1.00 0.00 O ATOM 451 NE2 GLN A 32 5.451 -18.669 9.530 1.00 0.00 N ATOM 0 H GLN A 32 5.186 -12.954 7.597 1.00 0.00 H new ATOM 0 HA GLN A 32 3.745 -15.304 8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.767 -15.863 7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.689 -14.643 8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.156 -16.924 9.126 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.525 -15.878 10.382 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.381 -18.934 9.206 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.746 -19.386 9.699 1.00 0.00 H new ATOM 460 N ALA A 33 5.170 -12.854 10.294 1.00 0.00 N ATOM 461 CA ALA A 33 5.282 -12.218 11.601 1.00 0.00 C ATOM 462 C ALA A 33 4.084 -11.316 11.877 1.00 0.00 C ATOM 463 O ALA A 33 3.722 -11.085 13.031 1.00 0.00 O ATOM 464 CB ALA A 33 6.576 -11.423 11.691 1.00 0.00 C ATOM 0 H ALA A 33 5.526 -12.293 9.520 1.00 0.00 H new ATOM 0 HA ALA A 33 5.296 -13.001 12.359 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.647 -10.953 12.672 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.425 -12.092 11.547 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.585 -10.654 10.919 1.00 0.00 H new ATOM 470 N ASP A 34 3.475 -10.807 10.812 1.00 0.00 N ATOM 471 CA ASP A 34 2.317 -9.930 10.940 1.00 0.00 C ATOM 472 C ASP A 34 1.064 -10.600 10.386 1.00 0.00 C ATOM 473 O ASP A 34 -0.053 -10.130 10.606 1.00 0.00 O ATOM 474 CB ASP A 34 2.569 -8.609 10.211 1.00 0.00 C ATOM 475 CG ASP A 34 1.835 -7.446 10.851 1.00 0.00 C ATOM 476 OD1 ASP A 34 2.203 -7.061 11.980 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.893 -6.921 10.221 1.00 0.00 O ATOM 0 H ASP A 34 3.764 -10.987 9.850 1.00 0.00 H new ATOM 0 HA ASP A 34 2.160 -9.728 12.000 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.639 -8.400 10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.255 -8.705 9.172 1.00 0.00 H new ATOM 482 N HIS A 35 1.256 -11.700 9.664 1.00 0.00 N ATOM 483 CA HIS A 35 0.141 -12.434 9.078 1.00 0.00 C ATOM 484 C HIS A 35 -0.575 -11.589 8.029 1.00 0.00 C ATOM 485 O HIS A 35 -1.775 -11.745 7.805 1.00 0.00 O ATOM 486 CB HIS A 35 -0.845 -12.861 10.166 1.00 0.00 C ATOM 487 CG HIS A 35 -0.183 -13.405 11.394 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.120 -14.740 11.558 1.00 0.00 N ATOM 489 CD2 HIS A 35 0.238 -12.785 12.522 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.695 -14.919 12.733 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.779 -13.748 13.338 1.00 0.00 N ATOM 0 H HIS A 35 2.173 -12.102 9.471 1.00 0.00 H new ATOM 0 HA HIS A 35 0.540 -13.324 8.591 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.460 -12.005 10.444 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.516 -13.617 9.760 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -0.070 -15.475 10.877 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.162 -11.730 12.739 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.038 -15.862 13.132 1.00 0.00 H new ATOM 499 N VAL A 36 0.169 -10.692 7.390 1.00 0.00 N ATOM 500 CA VAL A 36 -0.394 -9.822 6.365 1.00 0.00 C ATOM 501 C VAL A 36 0.689 -8.975 5.707 1.00 0.00 C ATOM 502 O VAL A 36 1.657 -8.574 6.354 1.00 0.00 O ATOM 503 CB VAL A 36 -1.474 -8.891 6.950 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.874 -7.977 8.008 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.133 -8.080 5.845 1.00 0.00 C ATOM 0 H VAL A 36 1.164 -10.549 7.564 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.850 -10.470 5.616 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.240 -9.504 7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.651 -7.327 8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.453 -8.579 8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.088 -7.369 7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.893 -7.428 6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.380 -7.475 5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.599 -8.755 5.127 1.00 0.00 H new ATOM 515 N CYS A 37 0.519 -8.706 4.417 1.00 0.00 N ATOM 516 CA CYS A 37 1.483 -7.906 3.670 1.00 0.00 C ATOM 517 C CYS A 37 0.935 -7.537 2.295 1.00 0.00 C ATOM 518 O CYS A 37 0.044 -8.207 1.770 1.00 0.00 O ATOM 519 CB CYS A 37 2.801 -8.667 3.519 1.00 0.00 C ATOM 520 SG CYS A 37 4.232 -7.609 3.199 1.00 0.00 S ATOM 0 H CYS A 37 -0.277 -9.030 3.867 1.00 0.00 H new ATOM 0 HA CYS A 37 1.664 -6.987 4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.983 -9.241 4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.703 -9.384 2.704 1.00 0.00 H new ATOM 0 HG CYS A 37 4.822 -7.996 2.107 1.00 0.00 H new ATOM 526 N LEU A 38 1.470 -6.467 1.718 1.00 0.00 N ATOM 527 CA LEU A 38 1.033 -6.007 0.404 1.00 0.00 C ATOM 528 C LEU A 38 1.937 -6.559 -0.694 1.00 0.00 C ATOM 529 O LEU A 38 3.161 -6.511 -0.585 1.00 0.00 O ATOM 530 CB LEU A 38 1.025 -4.479 0.354 1.00 0.00 C ATOM 531 CG LEU A 38 0.973 -3.853 -1.041 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.468 -3.709 -1.507 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.674 -2.503 -1.046 1.00 0.00 C ATOM 0 H LEU A 38 2.207 -5.901 2.139 1.00 0.00 H new ATOM 0 HA LEU A 38 0.021 -6.375 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.167 -4.121 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.918 -4.114 0.861 1.00 0.00 H new ATOM 0 HG LEU A 38 1.494 -4.513 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.486 -3.262 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.939 -4.691 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.013 -3.070 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.627 -2.072 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.181 -1.835 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.716 -2.633 -0.755 1.00 0.00 H new ATOM 545 N GLU A 39 1.323 -7.081 -1.752 1.00 0.00 N ATOM 546 CA GLU A 39 2.073 -7.640 -2.870 1.00 0.00 C ATOM 547 C GLU A 39 2.549 -6.538 -3.812 1.00 0.00 C ATOM 548 O GLU A 39 3.740 -6.239 -3.883 1.00 0.00 O ATOM 549 CB GLU A 39 1.212 -8.646 -3.638 1.00 0.00 C ATOM 550 CG GLU A 39 2.011 -9.549 -4.563 1.00 0.00 C ATOM 551 CD GLU A 39 1.178 -10.677 -5.139 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.540 -11.406 -4.351 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.164 -10.831 -6.378 1.00 0.00 O ATOM 0 H GLU A 39 0.310 -7.128 -1.858 1.00 0.00 H new ATOM 0 HA GLU A 39 2.947 -8.152 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.665 -9.263 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.470 -8.104 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.424 -8.954 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.855 -9.969 -4.015 1.00 0.00 H new ATOM 560 N ASN A 40 1.608 -5.937 -4.533 1.00 0.00 N ATOM 561 CA ASN A 40 1.930 -4.868 -5.472 1.00 0.00 C ATOM 562 C ASN A 40 0.881 -3.761 -5.416 1.00 0.00 C ATOM 563 O ASN A 40 -0.303 -4.024 -5.205 1.00 0.00 O ATOM 564 CB ASN A 40 2.028 -5.423 -6.894 1.00 0.00 C ATOM 565 CG ASN A 40 0.695 -5.933 -7.409 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.249 -7.019 -7.038 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.053 -5.150 -8.267 1.00 0.00 N ATOM 0 H ASN A 40 0.617 -6.172 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 40 2.894 -4.445 -5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.398 -4.644 -7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.757 -6.233 -6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.848 -5.440 -8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.461 -4.258 -8.547 1.00 0.00 H new ATOM 574 N CYS A 41 1.325 -2.524 -5.608 1.00 0.00 N ATOM 575 CA CYS A 41 0.425 -1.376 -5.580 1.00 0.00 C ATOM 576 C CYS A 41 0.724 -0.423 -6.733 1.00 0.00 C ATOM 577 O CYS A 41 1.728 0.289 -6.720 1.00 0.00 O ATOM 578 CB CYS A 41 0.548 -0.638 -4.247 1.00 0.00 C ATOM 579 SG CYS A 41 -0.467 0.854 -4.133 1.00 0.00 S ATOM 0 H CYS A 41 2.302 -2.290 -5.785 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.596 -1.742 -5.691 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.269 -1.317 -3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.592 -0.367 -4.089 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.297 1.407 -2.969 1.00 0.00 H new ATOM 585 N VAL A 42 -0.155 -0.416 -7.731 1.00 0.00 N ATOM 586 CA VAL A 42 0.015 0.449 -8.892 1.00 0.00 C ATOM 587 C VAL A 42 -0.794 1.733 -8.744 1.00 0.00 C ATOM 588 O VAL A 42 -1.659 1.838 -7.873 1.00 0.00 O ATOM 589 CB VAL A 42 -0.409 -0.265 -10.190 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.330 -1.586 -10.339 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.914 -0.481 -10.211 1.00 0.00 C ATOM 0 H VAL A 42 -0.991 -0.999 -7.758 1.00 0.00 H new ATOM 0 HA VAL A 42 1.075 0.696 -8.951 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.144 0.369 -11.036 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.017 -2.076 -11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.404 -1.401 -10.372 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.099 -2.230 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.196 -0.986 -11.135 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.206 -1.094 -9.358 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.421 0.482 -10.155 1.00 0.00 H new ATOM 601 N LEU A 43 -0.508 2.708 -9.600 1.00 0.00 N ATOM 602 CA LEU A 43 -1.209 3.986 -9.565 1.00 0.00 C ATOM 603 C LEU A 43 -1.767 4.339 -10.940 1.00 0.00 C ATOM 604 O LEU A 43 -1.121 4.107 -11.962 1.00 0.00 O ATOM 605 CB LEU A 43 -0.269 5.093 -9.084 1.00 0.00 C ATOM 606 CG LEU A 43 -0.926 6.251 -8.331 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.062 6.889 -7.366 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.463 7.286 -9.309 1.00 0.00 C ATOM 0 H LEU A 43 0.204 2.638 -10.327 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.042 3.896 -8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.485 4.646 -8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.255 5.499 -9.949 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.763 5.857 -7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.423 7.711 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.399 6.144 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.919 7.270 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.927 8.103 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.643 7.676 -9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.204 6.822 -9.960 1.00 0.00 H new ATOM 620 N LYS A 44 -2.969 4.904 -10.958 1.00 0.00 N ATOM 621 CA LYS A 44 -3.613 5.293 -12.207 1.00 0.00 C ATOM 622 C LYS A 44 -4.185 6.704 -12.108 1.00 0.00 C ATOM 623 O LYS A 44 -4.021 7.381 -11.092 1.00 0.00 O ATOM 624 CB LYS A 44 -4.726 4.304 -12.561 1.00 0.00 C ATOM 625 CG LYS A 44 -4.298 2.850 -12.472 1.00 0.00 C ATOM 626 CD LYS A 44 -4.543 2.280 -11.085 1.00 0.00 C ATOM 627 CE LYS A 44 -5.927 1.656 -10.976 1.00 0.00 C ATOM 628 NZ LYS A 44 -6.959 2.661 -10.598 1.00 0.00 N ATOM 0 H LYS A 44 -3.517 5.103 -10.121 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.859 5.280 -12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.571 4.467 -11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.075 4.510 -13.573 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.845 2.263 -13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.240 2.766 -12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.785 1.529 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.439 3.071 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.196 1.200 -11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.908 0.858 -10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.823 2.172 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.599 3.253 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.177 3.261 -11.419 1.00 0.00 H new ATOM 642 N ASP A 45 -4.858 7.140 -13.167 1.00 0.00 N ATOM 643 CA ASP A 45 -5.457 8.470 -13.198 1.00 0.00 C ATOM 644 C ASP A 45 -6.385 8.675 -12.005 1.00 0.00 C ATOM 645 O ASP A 45 -7.483 8.120 -11.956 1.00 0.00 O ATOM 646 CB ASP A 45 -6.229 8.675 -14.502 1.00 0.00 C ATOM 647 CG ASP A 45 -5.619 7.912 -15.662 1.00 0.00 C ATOM 648 OD1 ASP A 45 -4.379 7.946 -15.807 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.381 7.282 -16.425 1.00 0.00 O ATOM 0 H ASP A 45 -5.003 6.592 -14.015 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.654 9.205 -13.142 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.262 8.355 -14.364 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.254 9.738 -14.743 1.00 0.00 H new ATOM 654 N LYS A 46 -5.937 9.476 -11.044 1.00 0.00 N ATOM 655 CA LYS A 46 -6.727 9.756 -9.850 1.00 0.00 C ATOM 656 C LYS A 46 -7.326 8.474 -9.281 1.00 0.00 C ATOM 657 O LYS A 46 -8.486 8.449 -8.870 1.00 0.00 O ATOM 658 CB LYS A 46 -7.842 10.753 -10.174 1.00 0.00 C ATOM 659 CG LYS A 46 -7.371 12.196 -10.222 1.00 0.00 C ATOM 660 CD LYS A 46 -8.534 13.166 -10.091 1.00 0.00 C ATOM 661 CE LYS A 46 -9.424 13.139 -11.324 1.00 0.00 C ATOM 662 NZ LYS A 46 -8.951 14.085 -12.372 1.00 0.00 N ATOM 0 H LYS A 46 -5.031 9.943 -11.069 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.066 10.191 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.284 10.491 -11.135 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.629 10.661 -9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.656 12.373 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.848 12.378 -11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.123 12.912 -9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.152 14.175 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.449 12.128 -11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.445 13.393 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.585 14.036 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.952 15.053 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.986 13.828 -12.662 1.00 0.00 H new ATOM 676 N ALA A 47 -6.528 7.411 -9.260 1.00 0.00 N ATOM 677 CA ALA A 47 -6.979 6.127 -8.738 1.00 0.00 C ATOM 678 C ALA A 47 -5.797 5.220 -8.416 1.00 0.00 C ATOM 679 O ALA A 47 -4.674 5.468 -8.855 1.00 0.00 O ATOM 680 CB ALA A 47 -7.910 5.451 -9.734 1.00 0.00 C ATOM 0 H ALA A 47 -5.566 7.414 -9.599 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.525 6.310 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.239 4.493 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.777 6.087 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.381 5.288 -10.673 1.00 0.00 H new ATOM 686 N ILE A 48 -6.057 4.169 -7.646 1.00 0.00 N ATOM 687 CA ILE A 48 -5.014 3.225 -7.265 1.00 0.00 C ATOM 688 C ILE A 48 -5.550 1.798 -7.229 1.00 0.00 C ATOM 689 O ILE A 48 -6.759 1.580 -7.150 1.00 0.00 O ATOM 690 CB ILE A 48 -4.416 3.571 -5.888 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.321 3.052 -4.770 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.216 5.074 -5.761 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.829 3.401 -3.383 1.00 0.00 C ATOM 0 H ILE A 48 -6.981 3.950 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.232 3.298 -8.021 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.444 3.086 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.322 3.461 -4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.405 1.969 -4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.793 5.303 -4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.536 5.418 -6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.176 5.579 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.520 3.001 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.840 2.969 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.772 4.485 -3.279 1.00 0.00 H new ATOM 705 N ALA A 49 -4.642 0.829 -7.286 1.00 0.00 N ATOM 706 CA ALA A 49 -5.023 -0.578 -7.256 1.00 0.00 C ATOM 707 C ALA A 49 -3.867 -1.450 -6.780 1.00 0.00 C ATOM 708 O ALA A 49 -2.741 -1.321 -7.259 1.00 0.00 O ATOM 709 CB ALA A 49 -5.494 -1.027 -8.632 1.00 0.00 C ATOM 0 H ALA A 49 -3.637 0.993 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.844 -0.691 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.775 -2.079 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.356 -0.432 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.689 -0.892 -9.354 1.00 0.00 H new ATOM 715 N GLY A 50 -4.153 -2.339 -5.833 1.00 0.00 N ATOM 716 CA GLY A 50 -3.125 -3.219 -5.308 1.00 0.00 C ATOM 717 C GLY A 50 -3.700 -4.486 -4.705 1.00 0.00 C ATOM 718 O GLY A 50 -4.855 -4.512 -4.278 1.00 0.00 O ATOM 0 H GLY A 50 -5.077 -2.465 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.433 -3.482 -6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.549 -2.688 -4.550 1.00 0.00 H new ATOM 722 N THR A 51 -2.893 -5.542 -4.670 1.00 0.00 N ATOM 723 CA THR A 51 -3.328 -6.819 -4.118 1.00 0.00 C ATOM 724 C THR A 51 -2.678 -7.083 -2.765 1.00 0.00 C ATOM 725 O THR A 51 -1.460 -6.981 -2.620 1.00 0.00 O ATOM 726 CB THR A 51 -2.998 -7.984 -5.070 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.603 -7.971 -5.395 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.822 -7.892 -6.345 1.00 0.00 C ATOM 0 H THR A 51 -1.934 -5.538 -5.018 1.00 0.00 H new ATOM 0 HA THR A 51 -4.409 -6.757 -3.993 1.00 0.00 H new ATOM 0 HB THR A 51 -3.244 -8.918 -4.564 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.452 -7.384 -6.165 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.571 -8.725 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.883 -7.932 -6.097 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.604 -6.952 -6.852 1.00 0.00 H new ATOM 736 N VAL A 52 -3.498 -7.423 -1.776 1.00 0.00 N ATOM 737 CA VAL A 52 -3.003 -7.703 -0.434 1.00 0.00 C ATOM 738 C VAL A 52 -3.018 -9.200 -0.144 1.00 0.00 C ATOM 739 O VAL A 52 -3.876 -9.931 -0.640 1.00 0.00 O ATOM 740 CB VAL A 52 -3.838 -6.976 0.637 1.00 0.00 C ATOM 741 CG1 VAL A 52 -3.460 -7.460 2.029 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.657 -5.470 0.520 1.00 0.00 C ATOM 0 H VAL A 52 -4.509 -7.511 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.977 -7.337 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.890 -7.207 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.060 -6.935 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.645 -8.532 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.404 -7.261 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.254 -4.971 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.606 -5.218 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.982 -5.140 -0.467 1.00 0.00 H new ATOM 752 N LYS A 53 -2.063 -9.651 0.663 1.00 0.00 N ATOM 753 CA LYS A 53 -1.966 -11.061 1.021 1.00 0.00 C ATOM 754 C LYS A 53 -2.211 -11.260 2.513 1.00 0.00 C ATOM 755 O LYS A 53 -1.983 -10.356 3.317 1.00 0.00 O ATOM 756 CB LYS A 53 -0.590 -11.611 0.642 1.00 0.00 C ATOM 757 CG LYS A 53 -0.605 -13.084 0.271 1.00 0.00 C ATOM 758 CD LYS A 53 -1.054 -13.292 -1.166 1.00 0.00 C ATOM 759 CE LYS A 53 -0.415 -14.531 -1.775 1.00 0.00 C ATOM 760 NZ LYS A 53 -0.336 -14.442 -3.259 1.00 0.00 N ATOM 0 H LYS A 53 -1.345 -9.060 1.082 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.732 -11.605 0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.197 -11.037 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.094 -11.462 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.391 -13.505 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.272 -13.623 0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.139 -13.387 -1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.792 -12.417 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.587 -14.662 -1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.992 -15.412 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.195 -15.256 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.296 -14.445 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.148 -13.562 -3.529 1.00 0.00 H new ATOM 774 N VAL A 54 -2.677 -12.451 2.878 1.00 0.00 N ATOM 775 CA VAL A 54 -2.951 -12.770 4.274 1.00 0.00 C ATOM 776 C VAL A 54 -2.716 -14.250 4.555 1.00 0.00 C ATOM 777 O VAL A 54 -2.521 -15.043 3.635 1.00 0.00 O ATOM 778 CB VAL A 54 -4.398 -12.409 4.659 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.610 -10.904 4.588 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.385 -13.138 3.760 1.00 0.00 C ATOM 0 H VAL A 54 -2.872 -13.211 2.226 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.264 -12.175 4.876 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.573 -12.728 5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.638 -10.668 4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.927 -10.407 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.417 -10.557 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.403 -12.872 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.212 -12.851 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.248 -14.214 3.867 1.00 0.00 H new ATOM 790 N GLN A 55 -2.737 -14.614 5.833 1.00 0.00 N ATOM 791 CA GLN A 55 -2.526 -16.000 6.236 1.00 0.00 C ATOM 792 C GLN A 55 -3.853 -16.688 6.535 1.00 0.00 C ATOM 793 O GLN A 55 -4.826 -16.040 6.918 1.00 0.00 O ATOM 794 CB GLN A 55 -1.616 -16.063 7.465 1.00 0.00 C ATOM 795 CG GLN A 55 -0.141 -15.899 7.139 1.00 0.00 C ATOM 796 CD GLN A 55 0.758 -16.619 8.124 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.604 -16.482 9.338 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.705 -17.393 7.605 1.00 0.00 N ATOM 0 H GLN A 55 -2.898 -13.969 6.607 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.045 -16.523 5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.913 -15.284 8.167 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.764 -17.019 7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.050 -16.278 6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.110 -14.838 7.132 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.797 -17.477 6.593 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.340 -17.903 8.219 1.00 0.00 H new ATOM 807 N ASN A 56 -3.885 -18.005 6.357 1.00 0.00 N ATOM 808 CA ASN A 56 -5.094 -18.781 6.607 1.00 0.00 C ATOM 809 C ASN A 56 -5.205 -19.156 8.082 1.00 0.00 C ATOM 810 O ASN A 56 -5.472 -20.309 8.423 1.00 0.00 O ATOM 811 CB ASN A 56 -5.100 -20.046 5.746 1.00 0.00 C ATOM 812 CG ASN A 56 -6.430 -20.773 5.796 1.00 0.00 C ATOM 813 OD1 ASN A 56 -7.486 -20.151 5.913 1.00 0.00 O ATOM 814 ND2 ASN A 56 -6.384 -22.097 5.707 1.00 0.00 N ATOM 0 H ASN A 56 -3.088 -18.557 6.041 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.953 -18.164 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.873 -19.781 4.714 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.310 -20.716 6.084 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.247 -22.640 5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.486 -22.571 5.611 1.00 0.00 H new ATOM 821 N LEU A 57 -4.998 -18.174 8.953 1.00 0.00 N ATOM 822 CA LEU A 57 -5.075 -18.399 10.392 1.00 0.00 C ATOM 823 C LEU A 57 -6.455 -18.914 10.790 1.00 0.00 C ATOM 824 O LEU A 57 -6.584 -19.995 11.362 1.00 0.00 O ATOM 825 CB LEU A 57 -4.762 -17.107 11.148 1.00 0.00 C ATOM 826 CG LEU A 57 -3.503 -16.360 10.708 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.421 -15.003 11.391 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.261 -17.186 11.009 1.00 0.00 C ATOM 0 H LEU A 57 -4.776 -17.215 8.688 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.336 -19.155 10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.614 -16.434 11.046 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.668 -17.344 12.208 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.557 -16.199 9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.518 -14.486 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.295 -14.409 11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.390 -15.141 12.472 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.374 -16.639 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.202 -17.378 12.080 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.316 -18.134 10.473 1.00 0.00 H new ATOM 840 N ALA A 58 -7.484 -18.131 10.480 1.00 0.00 N ATOM 841 CA ALA A 58 -8.855 -18.509 10.801 1.00 0.00 C ATOM 842 C ALA A 58 -9.673 -18.736 9.535 1.00 0.00 C ATOM 843 O ALA A 58 -9.187 -18.524 8.423 1.00 0.00 O ATOM 844 CB ALA A 58 -9.506 -17.443 11.669 1.00 0.00 C ATOM 0 H ALA A 58 -7.394 -17.232 10.007 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.827 -19.447 11.356 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.529 -17.738 11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.941 -17.333 12.595 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.515 -16.493 11.134 1.00 0.00 H new ATOM 850 N PHE A 59 -10.917 -19.169 9.709 1.00 0.00 N ATOM 851 CA PHE A 59 -11.802 -19.426 8.579 1.00 0.00 C ATOM 852 C PHE A 59 -12.185 -18.124 7.881 1.00 0.00 C ATOM 853 O PHE A 59 -11.804 -17.888 6.735 1.00 0.00 O ATOM 854 CB PHE A 59 -13.062 -20.156 9.047 1.00 0.00 C ATOM 855 CG PHE A 59 -13.798 -20.853 7.938 1.00 0.00 C ATOM 856 CD1 PHE A 59 -14.642 -20.145 7.098 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.646 -22.215 7.736 1.00 0.00 C ATOM 858 CE1 PHE A 59 -15.321 -20.783 6.077 1.00 0.00 C ATOM 859 CE2 PHE A 59 -14.323 -22.859 6.717 1.00 0.00 C ATOM 860 CZ PHE A 59 -15.160 -22.142 5.886 1.00 0.00 C ATOM 0 H PHE A 59 -11.335 -19.349 10.622 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.268 -20.056 7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.787 -20.888 9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.732 -19.440 9.523 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.771 -19.083 7.243 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.991 -22.780 8.382 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -15.977 -20.220 5.429 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -14.197 -23.922 6.571 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.688 -22.642 5.088 1.00 0.00 H new ATOM 870 N GLU A 60 -12.942 -17.285 8.580 1.00 0.00 N ATOM 871 CA GLU A 60 -13.377 -16.008 8.027 1.00 0.00 C ATOM 872 C GLU A 60 -12.271 -14.962 8.134 1.00 0.00 C ATOM 873 O GLU A 60 -11.472 -14.980 9.071 1.00 0.00 O ATOM 874 CB GLU A 60 -14.632 -15.515 8.751 1.00 0.00 C ATOM 875 CG GLU A 60 -15.926 -16.028 8.143 1.00 0.00 C ATOM 876 CD GLU A 60 -17.124 -15.174 8.514 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.303 -14.896 9.718 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.881 -14.784 7.601 1.00 0.00 O ATOM 0 H GLU A 60 -13.267 -17.466 9.530 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.609 -16.159 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.584 -15.824 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.643 -14.425 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.827 -16.057 7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.098 -17.052 8.474 1.00 0.00 H new ATOM 885 N LYS A 61 -12.229 -14.052 7.167 1.00 0.00 N ATOM 886 CA LYS A 61 -11.223 -12.998 7.151 1.00 0.00 C ATOM 887 C LYS A 61 -11.863 -11.638 6.889 1.00 0.00 C ATOM 888 O LYS A 61 -12.882 -11.541 6.205 1.00 0.00 O ATOM 889 CB LYS A 61 -10.166 -13.290 6.084 1.00 0.00 C ATOM 890 CG LYS A 61 -9.408 -14.585 6.316 1.00 0.00 C ATOM 891 CD LYS A 61 -8.551 -14.953 5.117 1.00 0.00 C ATOM 892 CE LYS A 61 -8.109 -16.408 5.172 1.00 0.00 C ATOM 893 NZ LYS A 61 -6.980 -16.680 4.241 1.00 0.00 N ATOM 0 H LYS A 61 -12.881 -14.024 6.383 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.745 -12.972 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.649 -13.332 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.456 -12.464 6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.776 -14.485 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.115 -15.390 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.112 -14.777 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.674 -14.306 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.809 -16.658 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.951 -17.053 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.121 -17.604 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.943 -15.937 3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.086 -16.689 4.773 1.00 0.00 H new ATOM 907 N THR A 62 -11.257 -10.589 7.437 1.00 0.00 N ATOM 908 CA THR A 62 -11.768 -9.235 7.262 1.00 0.00 C ATOM 909 C THR A 62 -10.648 -8.267 6.899 1.00 0.00 C ATOM 910 O THR A 62 -10.004 -7.690 7.775 1.00 0.00 O ATOM 911 CB THR A 62 -12.473 -8.731 8.536 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.513 -9.641 8.912 1.00 0.00 O ATOM 913 CG2 THR A 62 -13.059 -7.345 8.318 1.00 0.00 C ATOM 0 H THR A 62 -10.412 -10.651 8.005 1.00 0.00 H new ATOM 0 HA THR A 62 -12.490 -9.273 6.447 1.00 0.00 H new ATOM 0 HB THR A 62 -11.734 -8.673 9.335 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.956 -9.315 9.723 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.551 -7.010 9.231 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.261 -6.649 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.785 -7.381 7.506 1.00 0.00 H new ATOM 921 N VAL A 63 -10.420 -8.093 5.601 1.00 0.00 N ATOM 922 CA VAL A 63 -9.378 -7.193 5.122 1.00 0.00 C ATOM 923 C VAL A 63 -9.958 -5.838 4.732 1.00 0.00 C ATOM 924 O VAL A 63 -10.979 -5.761 4.048 1.00 0.00 O ATOM 925 CB VAL A 63 -8.635 -7.789 3.911 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.458 -6.908 3.520 1.00 0.00 C ATOM 927 CG2 VAL A 63 -8.173 -9.206 4.214 1.00 0.00 C ATOM 0 H VAL A 63 -10.943 -8.564 4.862 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.673 -7.060 5.943 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.324 -7.829 3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.945 -7.345 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.819 -5.913 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.765 -6.834 4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.650 -9.611 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.500 -9.194 5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.038 -9.830 4.441 1.00 0.00 H new ATOM 937 N LYS A 64 -9.301 -4.770 5.171 1.00 0.00 N ATOM 938 CA LYS A 64 -9.749 -3.417 4.867 1.00 0.00 C ATOM 939 C LYS A 64 -8.579 -2.438 4.893 1.00 0.00 C ATOM 940 O LYS A 64 -7.784 -2.431 5.833 1.00 0.00 O ATOM 941 CB LYS A 64 -10.819 -2.975 5.868 1.00 0.00 C ATOM 942 CG LYS A 64 -12.234 -3.317 5.435 1.00 0.00 C ATOM 943 CD LYS A 64 -13.248 -2.952 6.507 1.00 0.00 C ATOM 944 CE LYS A 64 -14.503 -3.805 6.401 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.510 -3.442 7.436 1.00 0.00 N ATOM 0 H LYS A 64 -8.455 -4.816 5.739 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.177 -3.419 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.619 -3.444 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.743 -1.898 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.471 -2.787 4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.301 -4.383 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.800 -3.082 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.514 -1.899 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.941 -3.685 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.237 -4.857 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.350 -4.046 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.101 -3.581 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.783 -2.445 7.320 1.00 0.00 H new ATOM 959 N ILE A 65 -8.482 -1.613 3.856 1.00 0.00 N ATOM 960 CA ILE A 65 -7.411 -0.628 3.762 1.00 0.00 C ATOM 961 C ILE A 65 -7.788 0.664 4.478 1.00 0.00 C ATOM 962 O ILE A 65 -8.927 1.123 4.395 1.00 0.00 O ATOM 963 CB ILE A 65 -7.068 -0.308 2.295 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.583 -1.567 1.575 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.016 0.789 2.224 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.302 -2.134 2.147 1.00 0.00 C ATOM 0 H ILE A 65 -9.131 -1.607 3.070 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.537 -1.065 4.244 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.969 0.048 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.362 -2.328 1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.430 -1.337 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.784 1.004 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.397 1.690 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.112 0.460 2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.017 -3.025 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.509 -1.390 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.456 -2.396 3.194 1.00 0.00 H new ATOM 978 N ARG A 66 -6.822 1.248 5.181 1.00 0.00 N ATOM 979 CA ARG A 66 -7.052 2.488 5.912 1.00 0.00 C ATOM 980 C ARG A 66 -6.140 3.599 5.398 1.00 0.00 C ATOM 981 O ARG A 66 -4.942 3.609 5.676 1.00 0.00 O ATOM 982 CB ARG A 66 -6.820 2.274 7.408 1.00 0.00 C ATOM 983 CG ARG A 66 -6.692 3.567 8.196 1.00 0.00 C ATOM 984 CD ARG A 66 -6.420 3.299 9.668 1.00 0.00 C ATOM 985 NE ARG A 66 -6.202 4.532 10.419 1.00 0.00 N ATOM 986 CZ ARG A 66 -5.593 4.577 11.598 1.00 0.00 C ATOM 987 NH1 ARG A 66 -5.143 3.463 12.159 1.00 0.00 N ATOM 988 NH2 ARG A 66 -5.433 5.738 12.220 1.00 0.00 N ATOM 0 H ARG A 66 -5.873 0.882 5.259 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.088 2.788 5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.646 1.691 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.914 1.683 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.885 4.169 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.608 4.148 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.261 2.756 10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.544 2.657 9.764 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.536 5.407 10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.264 2.568 11.685 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.676 3.501 13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.778 6.597 11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.965 5.771 13.126 1.00 0.00 H new ATOM 1002 N MET A 67 -6.717 4.531 4.648 1.00 0.00 N ATOM 1003 CA MET A 67 -5.956 5.646 4.096 1.00 0.00 C ATOM 1004 C MET A 67 -6.566 6.981 4.514 1.00 0.00 C ATOM 1005 O MET A 67 -7.788 7.129 4.562 1.00 0.00 O ATOM 1006 CB MET A 67 -5.905 5.552 2.570 1.00 0.00 C ATOM 1007 CG MET A 67 -5.297 6.776 1.905 1.00 0.00 C ATOM 1008 SD MET A 67 -4.442 6.379 0.368 1.00 0.00 S ATOM 1009 CE MET A 67 -5.824 6.248 -0.764 1.00 0.00 C ATOM 0 H MET A 67 -7.708 4.537 4.408 1.00 0.00 H new ATOM 0 HA MET A 67 -4.941 5.590 4.490 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.328 4.671 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.916 5.406 2.189 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.084 7.502 1.701 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.597 7.249 2.594 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.749 5.315 -1.323 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.758 6.260 -0.201 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.807 7.089 -1.457 1.00 0.00 H new ATOM 1019 N THR A 68 -5.708 7.950 4.817 1.00 0.00 N ATOM 1020 CA THR A 68 -6.163 9.271 5.232 1.00 0.00 C ATOM 1021 C THR A 68 -5.585 10.359 4.334 1.00 0.00 C ATOM 1022 O THR A 68 -4.592 10.142 3.639 1.00 0.00 O ATOM 1023 CB THR A 68 -5.772 9.566 6.692 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.264 10.853 7.081 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.262 9.520 6.868 1.00 0.00 C ATOM 0 H THR A 68 -4.694 7.845 4.783 1.00 0.00 H new ATOM 0 HA THR A 68 -7.250 9.272 5.147 1.00 0.00 H new ATOM 0 HB THR A 68 -6.219 8.800 7.326 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.876 10.753 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.010 9.731 7.907 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.894 8.529 6.600 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.798 10.266 6.223 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.212 11.530 4.353 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.760 12.653 3.539 1.00 0.00 C ATOM 1035 C PHE A 69 -5.600 13.910 4.388 1.00 0.00 C ATOM 1036 O PHE A 69 -5.179 14.956 3.894 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.748 12.915 2.400 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.081 11.688 1.601 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -6.282 11.298 0.538 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -8.194 10.923 1.913 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -6.586 10.169 -0.199 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -8.503 9.793 1.180 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.698 9.416 0.122 1.00 0.00 C ATOM 0 H PHE A 69 -7.035 11.727 4.923 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.789 12.396 3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.667 13.329 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.330 13.670 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.411 11.883 0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.827 11.213 2.738 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.955 9.876 -1.025 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.373 9.205 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.938 8.534 -0.453 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.940 13.800 5.668 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.834 14.927 6.587 1.00 0.00 C ATOM 1055 C ASP A 70 -5.043 14.540 7.833 1.00 0.00 C ATOM 1056 O ASP A 70 -5.618 14.281 8.891 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.226 15.421 6.984 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.916 16.171 5.862 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -8.274 15.529 4.852 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.098 17.400 5.993 1.00 0.00 O ATOM 0 H ASP A 70 -6.291 12.942 6.092 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.303 15.731 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.840 14.570 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.143 16.072 7.855 1.00 0.00 H new ATOM 1065 N THR A 71 -3.721 14.500 7.700 1.00 0.00 N ATOM 1066 CA THR A 71 -2.852 14.142 8.814 1.00 0.00 C ATOM 1067 C THR A 71 -3.512 13.106 9.716 1.00 0.00 C ATOM 1068 O THR A 71 -3.588 13.287 10.931 1.00 0.00 O ATOM 1069 CB THR A 71 -2.480 15.377 9.656 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.938 16.400 8.812 1.00 0.00 O ATOM 1071 CG2 THR A 71 -1.469 15.013 10.733 1.00 0.00 C ATOM 0 H THR A 71 -3.229 14.711 6.832 1.00 0.00 H new ATOM 0 HA THR A 71 -1.945 13.719 8.383 1.00 0.00 H new ATOM 0 HB THR A 71 -3.385 15.746 10.139 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.706 17.182 9.354 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.222 15.901 11.315 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.895 14.255 11.391 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.565 14.622 10.266 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.988 12.022 9.115 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.642 10.956 9.866 1.00 0.00 C ATOM 1081 C TRP A 72 -5.780 11.509 10.716 1.00 0.00 C ATOM 1082 O TRP A 72 -5.919 11.160 11.888 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.628 10.235 10.755 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.610 9.453 9.982 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.402 9.901 9.530 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.712 8.086 9.569 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.747 8.896 8.861 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.529 7.771 8.872 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.686 7.096 9.723 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.298 6.510 8.329 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.456 5.845 9.183 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.269 5.560 8.494 1.00 0.00 C ATOM 0 H TRP A 72 -3.934 11.858 8.110 1.00 0.00 H new ATOM 0 HA TRP A 72 -5.059 10.245 9.153 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.116 10.968 11.378 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.159 9.561 11.427 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.018 10.900 9.677 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.172 8.974 8.426 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.603 7.305 10.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.385 6.289 7.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.204 5.074 9.294 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.118 4.572 8.086 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.593 12.373 10.118 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.721 12.974 10.820 1.00 0.00 C ATOM 1105 C LYS A 73 -8.987 12.146 10.624 1.00 0.00 C ATOM 1106 O LYS A 73 -9.640 11.754 11.591 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.953 14.404 10.326 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.943 15.404 10.862 1.00 0.00 C ATOM 1109 CD LYS A 73 -7.422 16.040 12.156 1.00 0.00 C ATOM 1110 CE LYS A 73 -8.514 17.068 11.901 1.00 0.00 C ATOM 1111 NZ LYS A 73 -9.869 16.450 11.903 1.00 0.00 N ATOM 0 H LYS A 73 -6.492 12.673 9.148 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.484 12.998 11.884 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.918 14.413 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.955 14.721 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.990 14.904 11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.767 16.180 10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.798 15.266 12.825 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.582 16.517 12.661 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.468 17.844 12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.338 17.554 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.523 17.050 12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.211 16.361 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.820 15.508 12.340 1.00 0.00 H new ATOM 1125 N SER A 74 -9.327 11.881 9.366 1.00 0.00 N ATOM 1126 CA SER A 74 -10.517 11.102 9.044 1.00 0.00 C ATOM 1127 C SER A 74 -10.269 10.210 7.831 1.00 0.00 C ATOM 1128 O SER A 74 -10.199 10.689 6.699 1.00 0.00 O ATOM 1129 CB SER A 74 -11.703 12.029 8.776 1.00 0.00 C ATOM 1130 OG SER A 74 -12.851 11.291 8.391 1.00 0.00 O ATOM 0 H SER A 74 -8.795 12.194 8.554 1.00 0.00 H new ATOM 0 HA SER A 74 -10.749 10.467 9.899 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.924 12.610 9.671 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.443 12.739 7.991 1.00 0.00 H new ATOM 0 HG SER A 74 -13.596 11.907 8.227 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.137 8.911 8.076 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.895 7.952 7.006 1.00 0.00 C ATOM 1138 C TYR A 75 -11.156 7.150 6.697 1.00 0.00 C ATOM 1139 O TYR A 75 -12.113 7.151 7.472 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.756 7.006 7.388 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.024 6.212 8.647 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.832 5.082 8.620 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.472 6.594 9.864 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -10.081 4.354 9.767 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -8.715 5.871 11.016 1.00 0.00 C ATOM 1146 CZ TYR A 75 -9.520 4.753 10.963 1.00 0.00 C ATOM 1147 OH TYR A 75 -9.765 4.031 12.109 1.00 0.00 O ATOM 0 H TYR A 75 -10.194 8.498 9.007 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.612 8.508 6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.577 6.315 6.564 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.843 7.586 7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.273 4.767 7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.843 7.471 9.910 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.711 3.478 9.728 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.277 6.180 11.953 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.295 4.445 12.863 1.00 0.00 H new ATOM 1157 N THR A 76 -11.149 6.463 5.559 1.00 0.00 N ATOM 1158 CA THR A 76 -12.290 5.657 5.146 1.00 0.00 C ATOM 1159 C THR A 76 -11.890 4.199 4.948 1.00 0.00 C ATOM 1160 O THR A 76 -10.920 3.900 4.252 1.00 0.00 O ATOM 1161 CB THR A 76 -12.911 6.188 3.840 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.242 7.574 3.984 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.159 5.399 3.474 1.00 0.00 C ATOM 0 H THR A 76 -10.365 6.449 4.907 1.00 0.00 H new ATOM 0 HA THR A 76 -13.029 5.724 5.944 1.00 0.00 H new ATOM 0 HB THR A 76 -12.179 6.070 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.635 7.905 3.149 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.580 5.792 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.899 4.349 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.894 5.489 4.274 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.644 3.295 5.565 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.369 1.867 5.455 1.00 0.00 C ATOM 1173 C ASP A 77 -12.921 1.306 4.148 1.00 0.00 C ATOM 1174 O ASP A 77 -14.129 1.120 4.002 1.00 0.00 O ATOM 1175 CB ASP A 77 -12.974 1.117 6.642 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.486 1.032 6.564 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.155 2.022 6.928 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -14.999 -0.023 6.138 1.00 0.00 O ATOM 0 H ASP A 77 -13.450 3.526 6.146 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.288 1.729 5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.558 0.110 6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.688 1.617 7.568 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.028 1.040 3.201 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.425 0.503 1.905 1.00 0.00 C ATOM 1185 C PHE A 78 -12.364 -1.022 1.906 1.00 0.00 C ATOM 1186 O PHE A 78 -11.348 -1.627 2.250 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.525 1.060 0.800 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.287 2.539 0.909 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.262 3.442 0.518 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.088 3.026 1.403 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.046 4.804 0.618 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.866 4.386 1.506 1.00 0.00 C ATOM 1193 CZ PHE A 78 -10.846 5.276 1.111 1.00 0.00 C ATOM 0 H PHE A 78 -11.024 1.188 3.307 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.454 0.808 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.566 0.543 0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.976 0.843 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.202 3.078 0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.318 2.335 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.815 5.498 0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.928 4.753 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.674 6.339 1.188 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.477 -1.659 1.512 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.575 -3.120 1.459 1.00 0.00 C ATOM 1205 C PRO A 79 -12.722 -3.719 0.347 1.00 0.00 C ATOM 1206 O PRO A 79 -12.773 -3.269 -0.799 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.061 -3.366 1.184 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.530 -2.127 0.502 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.724 -1.001 1.089 1.00 0.00 C ATOM 0 HA PRO A 79 -13.214 -3.586 2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.207 -4.244 0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.611 -3.541 2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.380 -2.194 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.596 -1.971 0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.536 -0.217 0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.238 -0.535 1.930 1.00 0.00 H new ATOM 1217 N CYS A 80 -11.938 -4.735 0.690 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.073 -5.395 -0.281 1.00 0.00 C ATOM 1219 C CYS A 80 -11.845 -6.445 -1.072 1.00 0.00 C ATOM 1220 O CYS A 80 -12.733 -7.110 -0.538 1.00 0.00 O ATOM 1221 CB CYS A 80 -9.882 -6.046 0.426 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.447 -4.961 0.604 1.00 0.00 S ATOM 0 H CYS A 80 -11.884 -5.120 1.633 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.706 -4.640 -0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.198 -6.379 1.415 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.585 -6.935 -0.130 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.428 -5.654 1.019 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.503 -6.587 -2.349 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.166 -7.554 -3.214 1.00 0.00 C ATOM 1230 C GLN A 81 -11.388 -8.865 -3.263 1.00 0.00 C ATOM 1231 O GLN A 81 -10.360 -9.013 -2.602 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.320 -6.986 -4.626 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.157 -5.718 -4.684 1.00 0.00 C ATOM 1234 CD GLN A 81 -13.637 -5.399 -6.086 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -14.806 -5.601 -6.415 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -12.735 -4.898 -6.921 1.00 0.00 N ATOM 0 H GLN A 81 -10.771 -6.044 -2.807 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.154 -7.755 -2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.331 -6.778 -5.035 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.776 -7.742 -5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.018 -5.825 -4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.569 -4.882 -4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.777 -4.747 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.000 -4.664 -7.878 1.00 0.00 H new ATOM 1245 N TYR A 82 -11.885 -9.813 -4.050 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.238 -11.113 -4.183 1.00 0.00 C ATOM 1247 C TYR A 82 -10.774 -11.347 -5.617 1.00 0.00 C ATOM 1248 O TYR A 82 -11.524 -11.126 -6.568 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.193 -12.228 -3.756 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.604 -13.614 -3.888 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -11.314 -14.152 -5.136 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.336 -14.387 -2.765 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.777 -15.418 -5.262 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -10.797 -15.653 -2.880 1.00 0.00 C ATOM 1255 CZ TYR A 82 -10.520 -16.165 -4.131 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.983 -17.426 -4.252 1.00 0.00 O ATOM 0 H TYR A 82 -12.734 -9.706 -4.605 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.364 -11.123 -3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.488 -12.065 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.100 -12.169 -4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.512 -13.569 -6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.553 -13.990 -1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.560 -15.821 -6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.593 -16.239 -1.996 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.862 -17.817 -3.362 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.532 -11.796 -5.765 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.967 -12.062 -7.083 1.00 0.00 C ATOM 1268 C VAL A 83 -9.069 -13.541 -7.436 1.00 0.00 C ATOM 1269 O VAL A 83 -8.285 -14.361 -6.959 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.490 -11.629 -7.158 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -6.897 -11.988 -8.511 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.359 -10.137 -6.888 1.00 0.00 C ATOM 0 H VAL A 83 -8.898 -11.983 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.546 -11.479 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.932 -12.165 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.854 -11.675 -8.546 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.957 -13.066 -8.660 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.454 -11.481 -9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.310 -9.848 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.929 -9.581 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.744 -9.912 -5.893 1.00 0.00 H new ATOM 1415 N ASP A 93 -5.254 -17.056 -0.208 1.00 0.00 N ATOM 1416 CA ASP A 93 -6.323 -16.135 -0.575 1.00 0.00 C ATOM 1417 C ASP A 93 -5.762 -14.754 -0.899 1.00 0.00 C ATOM 1418 O ASP A 93 -5.312 -14.029 -0.011 1.00 0.00 O ATOM 1419 CB ASP A 93 -7.346 -16.030 0.557 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.855 -17.386 1.004 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.020 -18.258 1.321 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -9.089 -17.576 1.037 1.00 0.00 O ATOM 0 HA ASP A 93 -6.816 -16.526 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.893 -15.517 1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.187 -15.420 0.228 1.00 0.00 H new ATOM 1427 N THR A 94 -5.790 -14.394 -2.179 1.00 0.00 N ATOM 1428 CA THR A 94 -5.283 -13.102 -2.622 1.00 0.00 C ATOM 1429 C THR A 94 -6.416 -12.096 -2.792 1.00 0.00 C ATOM 1430 O THR A 94 -7.303 -12.279 -3.625 1.00 0.00 O ATOM 1431 CB THR A 94 -4.517 -13.225 -3.952 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.569 -14.295 -3.875 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.798 -11.926 -4.284 1.00 0.00 C ATOM 0 H THR A 94 -6.159 -14.981 -2.927 1.00 0.00 H new ATOM 0 HA THR A 94 -4.600 -12.749 -1.850 1.00 0.00 H new ATOM 0 HB THR A 94 -5.237 -13.436 -4.742 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.088 -14.367 -4.726 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.264 -12.037 -5.228 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.526 -11.119 -4.372 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.088 -11.690 -3.491 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.380 -11.031 -1.996 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.404 -9.996 -2.059 1.00 0.00 C ATOM 1443 C PHE A 95 -6.890 -8.766 -2.801 1.00 0.00 C ATOM 1444 O PHE A 95 -5.682 -8.549 -2.902 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.850 -9.604 -0.648 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.432 -10.746 0.135 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.613 -11.584 0.875 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.797 -10.982 0.131 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -8.145 -12.635 1.598 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.335 -12.032 0.851 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.508 -12.860 1.585 1.00 0.00 C ATOM 0 H PHE A 95 -5.653 -10.863 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.258 -10.398 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.996 -9.199 -0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.590 -8.807 -0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.547 -11.414 0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.448 -10.338 -0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.496 -13.279 2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.401 -12.205 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.926 -13.682 2.148 1.00 0.00 H new ATOM 1461 N SER A 96 -7.815 -7.965 -3.320 1.00 0.00 N ATOM 1462 CA SER A 96 -7.456 -6.759 -4.057 1.00 0.00 C ATOM 1463 C SER A 96 -8.166 -5.538 -3.480 1.00 0.00 C ATOM 1464 O SER A 96 -8.975 -5.653 -2.559 1.00 0.00 O ATOM 1465 CB SER A 96 -7.809 -6.917 -5.537 1.00 0.00 C ATOM 1466 OG SER A 96 -9.207 -6.813 -5.742 1.00 0.00 O ATOM 0 H SER A 96 -8.819 -8.129 -3.244 1.00 0.00 H new ATOM 0 HA SER A 96 -6.380 -6.611 -3.961 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.295 -6.153 -6.120 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.456 -7.884 -5.897 1.00 0.00 H new ATOM 0 HG SER A 96 -9.406 -6.916 -6.696 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.858 -4.368 -4.030 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.466 -3.124 -3.571 1.00 0.00 C ATOM 1474 C PHE A 97 -8.343 -2.035 -4.632 1.00 0.00 C ATOM 1475 O PHE A 97 -7.306 -1.900 -5.282 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.807 -2.660 -2.270 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.394 -2.185 -2.450 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -6.133 -0.918 -2.948 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.326 -3.004 -2.119 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.833 -0.479 -3.115 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -4.024 -2.570 -2.284 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.778 -1.305 -2.781 1.00 0.00 C ATOM 0 H PHE A 97 -7.191 -4.255 -4.794 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.524 -3.311 -3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.401 -1.854 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.817 -3.482 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.954 -0.267 -3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.513 -3.993 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.643 0.509 -3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.201 -3.219 -2.025 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.762 -0.962 -2.908 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.410 -1.261 -4.803 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.423 -0.183 -5.785 1.00 0.00 C ATOM 1494 C ASP A 98 -9.996 1.095 -5.181 1.00 0.00 C ATOM 1495 O ASP A 98 -11.209 1.226 -5.017 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.240 -0.592 -7.012 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.473 -1.394 -6.646 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -12.325 -0.864 -5.903 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -11.586 -2.551 -7.101 1.00 0.00 O ATOM 0 H ASP A 98 -10.277 -1.360 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.394 0.010 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.541 0.302 -7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.613 -1.180 -7.682 1.00 0.00 H new ATOM 1504 N ILE A 99 -9.115 2.034 -4.851 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.533 3.301 -4.266 1.00 0.00 C ATOM 1506 C ILE A 99 -9.467 4.429 -5.290 1.00 0.00 C ATOM 1507 O ILE A 99 -8.685 4.374 -6.239 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.663 3.675 -3.051 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.911 2.699 -1.899 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.949 5.103 -2.613 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.764 2.620 -0.916 1.00 0.00 C ATOM 0 H ILE A 99 -8.107 1.940 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.564 3.171 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.614 3.608 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.814 2.999 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.097 1.706 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.326 5.352 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.726 5.786 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.000 5.196 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -8.010 1.909 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.863 2.290 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.592 3.603 -0.478 1.00 0.00 H new ATOM 1523 N SER A 100 -10.292 5.452 -5.090 1.00 0.00 N ATOM 1524 CA SER A 100 -10.329 6.593 -5.998 1.00 0.00 C ATOM 1525 C SER A 100 -9.666 7.812 -5.364 1.00 0.00 C ATOM 1526 O SER A 100 -10.154 8.353 -4.371 1.00 0.00 O ATOM 1527 CB SER A 100 -11.774 6.923 -6.377 1.00 0.00 C ATOM 1528 OG SER A 100 -12.591 7.036 -5.225 1.00 0.00 O ATOM 0 H SER A 100 -10.944 5.514 -4.308 1.00 0.00 H new ATOM 0 HA SER A 100 -9.776 6.328 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.802 7.857 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.168 6.145 -7.031 1.00 0.00 H new ATOM 0 HG SER A 100 -12.073 7.434 -4.494 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.552 8.241 -5.946 1.00 0.00 N ATOM 1535 CA LEU A 101 -7.820 9.397 -5.440 1.00 0.00 C ATOM 1536 C LEU A 101 -8.721 10.626 -5.377 1.00 0.00 C ATOM 1537 O LEU A 101 -9.696 10.751 -6.118 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.607 9.685 -6.326 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.483 8.649 -6.283 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.393 9.003 -7.282 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -4.908 8.544 -4.878 1.00 0.00 C ATOM 0 H LEU A 101 -8.135 7.806 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.478 9.167 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.949 9.778 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.194 10.652 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.898 7.679 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.602 8.255 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.814 9.026 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.981 9.982 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.109 7.802 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.509 9.512 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.693 8.243 -4.185 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.388 11.558 -4.472 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.152 12.796 -4.292 1.00 0.00 C ATOM 1555 C PRO A 102 -9.001 13.748 -5.473 1.00 0.00 C ATOM 1556 O PRO A 102 -8.046 13.648 -6.243 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.542 13.409 -3.029 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.159 12.860 -2.971 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.238 11.476 -3.555 1.00 0.00 C ATOM 0 HA PRO A 102 -10.223 12.606 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.534 14.498 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.113 13.137 -2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.467 13.484 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.794 12.830 -1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.322 11.209 -4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.393 10.722 -2.783 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.707 15.606 5.194 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.088 14.287 5.133 1.00 0.00 C ATOM 1689 C ARG A 110 -1.045 13.265 4.527 1.00 0.00 C ATOM 1690 O ARG A 110 -2.255 13.328 4.743 1.00 0.00 O ATOM 1691 CB ARG A 110 0.340 13.835 6.530 1.00 0.00 C ATOM 1692 CG ARG A 110 1.554 12.920 6.529 1.00 0.00 C ATOM 1693 CD ARG A 110 2.216 12.872 7.898 1.00 0.00 C ATOM 1694 NE ARG A 110 3.233 13.909 8.050 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.160 13.895 9.002 1.00 0.00 C ATOM 1696 NH1 ARG A 110 4.197 12.903 9.880 1.00 0.00 N ATOM 1697 NH2 ARG A 110 5.052 14.875 9.075 1.00 0.00 N ATOM 0 HA ARG A 110 0.794 14.357 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.559 14.714 7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.493 13.319 7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.253 11.915 6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.273 13.268 5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.458 12.992 8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.671 11.893 8.046 1.00 0.00 H new ATOM 0 HE ARG A 110 3.232 14.686 7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.513 12.148 9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.909 12.894 10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.026 15.639 8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.763 14.864 9.806 1.00 0.00 H new ATOM 1711 N MET A 111 -0.494 12.324 3.767 1.00 0.00 N ATOM 1712 CA MET A 111 -1.299 11.288 3.130 1.00 0.00 C ATOM 1713 C MET A 111 -0.597 9.935 3.200 1.00 0.00 C ATOM 1714 O MET A 111 0.502 9.769 2.673 1.00 0.00 O ATOM 1715 CB MET A 111 -1.581 11.655 1.672 1.00 0.00 C ATOM 1716 CG MET A 111 -2.225 10.532 0.876 1.00 0.00 C ATOM 1717 SD MET A 111 -2.789 11.068 -0.751 1.00 0.00 S ATOM 1718 CE MET A 111 -1.261 11.685 -1.452 1.00 0.00 C ATOM 0 H MET A 111 0.506 12.258 3.577 1.00 0.00 H new ATOM 0 HA MET A 111 -2.244 11.215 3.667 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.233 12.528 1.645 1.00 0.00 H new ATOM 0 HB3 MET A 111 -0.646 11.941 1.190 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.509 9.719 0.758 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.071 10.134 1.436 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.318 12.769 -1.552 1.00 0.00 H new ATOM 0 HE2 MET A 111 -0.429 11.424 -0.798 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.104 11.238 -2.434 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.241 8.973 3.853 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.677 7.635 3.991 1.00 0.00 C ATOM 1730 C GLU A 112 -1.779 6.596 4.175 1.00 0.00 C ATOM 1731 O GLU A 112 -2.922 6.935 4.480 1.00 0.00 O ATOM 1732 CB GLU A 112 0.290 7.585 5.177 1.00 0.00 C ATOM 1733 CG GLU A 112 1.338 8.685 5.155 1.00 0.00 C ATOM 1734 CD GLU A 112 2.444 8.457 6.166 1.00 0.00 C ATOM 1735 OE1 GLU A 112 2.148 8.450 7.379 1.00 0.00 O ATOM 1736 OE2 GLU A 112 3.607 8.285 5.744 1.00 0.00 O ATOM 0 H GLU A 112 -2.152 9.095 4.294 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.132 7.402 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.280 7.657 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.791 6.617 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.771 8.749 4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.858 9.643 5.357 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.426 5.329 3.987 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.385 4.239 4.131 1.00 0.00 C ATOM 1745 C PHE A 113 -1.733 3.023 4.783 1.00 0.00 C ATOM 1746 O PHE A 113 -0.585 2.689 4.490 1.00 0.00 O ATOM 1747 CB PHE A 113 -2.958 3.853 2.765 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.092 2.893 2.001 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -1.936 1.586 2.432 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.434 3.299 0.851 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.140 0.700 1.731 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.637 2.417 0.145 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.489 1.117 0.586 1.00 0.00 C ATOM 0 H PHE A 113 -0.484 5.031 3.735 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.195 4.583 4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.943 3.408 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.098 4.756 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.443 1.255 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.545 4.315 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.027 -0.317 2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.131 2.745 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.135 0.427 0.037 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.474 2.366 5.669 1.00 0.00 N ATOM 1764 CA ALA A 114 -1.970 1.187 6.362 1.00 0.00 C ATOM 1765 C ALA A 114 -2.967 0.036 6.283 1.00 0.00 C ATOM 1766 O ALA A 114 -4.135 0.188 6.639 1.00 0.00 O ATOM 1767 CB ALA A 114 -1.660 1.521 7.814 1.00 0.00 C ATOM 0 H ALA A 114 -3.426 2.630 5.924 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.051 0.871 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.284 0.631 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -0.906 2.307 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.568 1.864 8.310 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.498 -1.116 5.813 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.348 -2.293 5.688 1.00 0.00 C ATOM 1775 C VAL A 115 -3.871 -2.741 7.049 1.00 0.00 C ATOM 1776 O VAL A 115 -3.128 -2.774 8.030 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.593 -3.464 5.030 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.536 -4.628 4.768 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.924 -3.008 3.742 1.00 0.00 C ATOM 0 H VAL A 115 -1.534 -1.258 5.513 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.188 -2.010 5.054 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.817 -3.805 5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.985 -5.445 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.964 -4.969 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.336 -4.305 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.395 -3.847 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.681 -2.640 3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.216 -2.209 3.963 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.153 -3.085 7.100 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.776 -3.530 8.340 1.00 0.00 C ATOM 1791 C TYR A 116 -6.417 -4.903 8.167 1.00 0.00 C ATOM 1792 O TYR A 116 -7.533 -5.021 7.660 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.828 -2.518 8.798 1.00 0.00 C ATOM 1794 CG TYR A 116 -7.975 -3.141 9.562 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.745 -3.890 10.710 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.288 -2.978 9.137 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.790 -4.461 11.410 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.338 -3.544 9.833 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.085 -4.285 10.968 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.128 -4.851 11.664 1.00 0.00 O ATOM 0 H TYR A 116 -5.781 -3.064 6.296 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.998 -3.606 9.100 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.349 -1.768 9.427 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.224 -1.998 7.926 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.733 -4.028 11.060 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.491 -2.399 8.248 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.594 -5.042 12.299 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.353 -3.407 9.490 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.974 -4.631 11.221 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.703 -5.940 8.591 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.200 -7.306 8.482 1.00 0.00 C ATOM 1812 C TYR A 117 -6.645 -7.835 9.842 1.00 0.00 C ATOM 1813 O TYR A 117 -5.856 -7.896 10.784 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.120 -8.218 7.897 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.462 -9.689 7.974 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.711 -10.153 7.581 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.537 -10.615 8.440 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -7.029 -11.496 7.650 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.845 -11.959 8.512 1.00 0.00 C ATOM 1820 CZ TYR A 117 -6.092 -12.395 8.116 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.404 -13.733 8.186 1.00 0.00 O ATOM 0 H TYR A 117 -4.778 -5.860 9.013 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.062 -7.299 7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.953 -7.947 6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.183 -8.043 8.426 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.446 -9.452 7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.560 -10.278 8.752 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.005 -11.840 7.341 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.113 -12.665 8.876 1.00 0.00 H new ATOM 0 HH TYR A 117 -6.670 -13.959 9.102 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.916 -8.215 9.934 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.467 -8.738 11.179 1.00 0.00 C ATOM 1833 C GLU A 118 -8.715 -10.240 11.075 1.00 0.00 C ATOM 1834 O GLU A 118 -9.370 -10.709 10.143 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.771 -8.017 11.527 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.028 -7.911 13.021 1.00 0.00 C ATOM 1837 CD GLU A 118 -11.503 -7.794 13.353 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -12.309 -8.514 12.729 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -11.850 -6.982 14.237 1.00 0.00 O ATOM 0 H GLU A 118 -8.582 -8.171 9.163 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.740 -8.562 11.972 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.748 -7.015 11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.603 -8.544 11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.616 -8.788 13.520 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.501 -7.043 13.416 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.189 -10.988 12.038 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.351 -12.438 12.055 1.00 0.00 C ATOM 1848 C CYS A 119 -8.105 -12.996 13.453 1.00 0.00 C ATOM 1849 O CYS A 119 -7.271 -12.484 14.198 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.394 -13.091 11.057 1.00 0.00 C ATOM 1851 SG CYS A 119 -7.710 -14.848 10.773 1.00 0.00 S ATOM 0 H CYS A 119 -7.647 -10.615 12.817 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.377 -12.667 11.767 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.461 -12.562 10.106 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.372 -12.970 11.417 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.461 -15.515 11.861 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.839 -14.047 13.802 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.702 -14.674 15.112 1.00 0.00 C ATOM 1859 C ASN A 120 -8.859 -13.644 16.227 1.00 0.00 C ATOM 1860 O ASN A 120 -8.148 -13.686 17.230 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.344 -15.367 15.230 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.347 -16.754 14.617 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -8.141 -17.613 15.002 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -6.456 -16.980 13.659 1.00 0.00 N ATOM 0 H ASN A 120 -9.535 -14.483 13.196 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.492 -15.418 15.215 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.585 -14.758 14.740 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.066 -15.438 16.281 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.410 -17.895 13.211 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.817 -16.239 13.371 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.796 -12.718 16.043 1.00 0.00 N ATOM 1872 CA GLY A 121 -10.029 -11.691 17.041 1.00 0.00 C ATOM 1873 C GLY A 121 -8.795 -10.852 17.309 1.00 0.00 C ATOM 1874 O GLY A 121 -8.512 -10.502 18.454 1.00 0.00 O ATOM 0 H GLY A 121 -10.397 -12.661 15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.840 -11.043 16.708 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.355 -12.159 17.970 1.00 0.00 H new ATOM 1878 N GLN A 122 -8.058 -10.531 16.250 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.847 -9.730 16.378 1.00 0.00 C ATOM 1880 C GLN A 122 -6.788 -8.655 15.298 1.00 0.00 C ATOM 1881 O GLN A 122 -7.639 -8.605 14.409 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.608 -10.624 16.292 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.397 -11.490 17.523 1.00 0.00 C ATOM 1884 CD GLN A 122 -5.105 -10.676 18.768 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -5.854 -10.722 19.744 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -4.011 -9.923 18.740 1.00 0.00 N ATOM 0 H GLN A 122 -8.279 -10.813 15.295 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.867 -9.240 17.352 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.694 -11.267 15.416 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.728 -9.998 16.143 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -6.286 -12.098 17.691 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.571 -12.177 17.341 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.418 -9.915 17.910 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.764 -9.353 19.549 1.00 0.00 H new ATOM 1895 N THR A 123 -5.779 -7.794 15.380 1.00 0.00 N ATOM 1896 CA THR A 123 -5.610 -6.719 14.411 1.00 0.00 C ATOM 1897 C THR A 123 -4.153 -6.587 13.984 1.00 0.00 C ATOM 1898 O THR A 123 -3.272 -6.349 14.811 1.00 0.00 O ATOM 1899 CB THR A 123 -6.089 -5.370 14.980 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.392 -5.516 15.556 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.127 -4.307 13.892 1.00 0.00 C ATOM 0 H THR A 123 -5.066 -7.820 16.109 1.00 0.00 H new ATOM 0 HA THR A 123 -6.218 -6.977 13.544 1.00 0.00 H new ATOM 0 HB THR A 123 -5.385 -5.055 15.750 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.689 -4.654 15.917 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.468 -3.363 14.317 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.128 -4.177 13.475 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.812 -4.618 13.103 1.00 0.00 H new ATOM 1909 N TYR A 124 -3.905 -6.744 12.688 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.553 -6.645 12.151 1.00 0.00 C ATOM 1911 C TYR A 124 -2.424 -5.443 11.220 1.00 0.00 C ATOM 1912 O TYR A 124 -3.218 -5.272 10.295 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.184 -7.926 11.402 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.396 -9.184 12.214 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.795 -9.343 13.456 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.198 -10.214 11.738 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.986 -10.491 14.201 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.396 -11.365 12.476 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.787 -11.499 13.706 1.00 0.00 C ATOM 1920 OH TYR A 124 -2.980 -12.643 14.445 1.00 0.00 O ATOM 0 H TYR A 124 -4.623 -6.940 11.990 1.00 0.00 H new ATOM 0 HA TYR A 124 -1.866 -6.510 12.987 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.778 -7.988 10.490 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.139 -7.871 11.098 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -1.167 -8.556 13.846 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.675 -10.113 10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.511 -10.598 15.165 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.024 -12.155 12.092 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.571 -13.253 13.956 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.417 -4.615 11.471 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.181 -3.428 10.655 1.00 0.00 C ATOM 1932 C TRP A 125 0.139 -3.540 9.901 1.00 0.00 C ATOM 1933 O TRP A 125 1.184 -3.801 10.496 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.178 -2.174 11.531 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.490 -1.922 12.212 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -2.858 -2.335 13.460 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -3.606 -1.201 11.680 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.136 -1.915 13.737 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -4.617 -1.216 12.661 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -3.850 -0.543 10.472 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -5.850 -0.599 12.469 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.075 0.069 10.282 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.062 0.038 11.277 1.00 0.00 C ATOM 0 H TRP A 125 -0.750 -4.743 12.232 1.00 0.00 H new ATOM 0 HA TRP A 125 -1.988 -3.352 9.927 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.397 -2.269 12.286 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -0.924 -1.311 10.916 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.235 -2.908 14.131 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -4.644 -2.094 14.603 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.095 -0.513 9.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -6.612 -0.622 13.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.275 0.579 9.351 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.009 0.527 11.099 1.00 0.00 H new ATOM 1954 N ASP A 126 0.084 -3.339 8.589 1.00 0.00 N ATOM 1955 CA ASP A 126 1.277 -3.416 7.753 1.00 0.00 C ATOM 1956 C ASP A 126 1.479 -2.119 6.975 1.00 0.00 C ATOM 1957 O ASP A 126 0.766 -1.845 6.010 1.00 0.00 O ATOM 1958 CB ASP A 126 1.172 -4.595 6.785 1.00 0.00 C ATOM 1959 CG ASP A 126 2.486 -4.890 6.088 1.00 0.00 C ATOM 1960 OD1 ASP A 126 3.480 -5.169 6.790 1.00 0.00 O ATOM 1961 OD2 ASP A 126 2.520 -4.842 4.840 1.00 0.00 O ATOM 0 H ASP A 126 -0.774 -3.122 8.081 1.00 0.00 H new ATOM 0 HA ASP A 126 2.138 -3.566 8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.846 -5.481 7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.408 -4.381 6.038 1.00 0.00 H new ATOM 1966 N SER A 127 2.455 -1.325 7.403 1.00 0.00 N ATOM 1967 CA SER A 127 2.748 -0.055 6.749 1.00 0.00 C ATOM 1968 C SER A 127 4.247 0.098 6.506 1.00 0.00 C ATOM 1969 O SER A 127 4.995 0.491 7.400 1.00 0.00 O ATOM 1970 CB SER A 127 2.237 1.110 7.599 1.00 0.00 C ATOM 1971 OG SER A 127 3.087 1.343 8.709 1.00 0.00 O ATOM 0 H SER A 127 3.056 -1.538 8.199 1.00 0.00 H new ATOM 0 HA SER A 127 2.238 -0.044 5.786 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.176 2.011 6.988 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.228 0.894 7.949 1.00 0.00 H new ATOM 0 HG SER A 127 4.016 1.404 8.403 1.00 0.00 H new ATOM 1977 N ASN A 128 4.677 -0.216 5.288 1.00 0.00 N ATOM 1978 CA ASN A 128 6.086 -0.115 4.926 1.00 0.00 C ATOM 1979 C ASN A 128 6.975 -0.650 6.044 1.00 0.00 C ATOM 1980 O ASN A 128 8.117 -0.218 6.204 1.00 0.00 O ATOM 1981 CB ASN A 128 6.452 1.339 4.619 1.00 0.00 C ATOM 1982 CG ASN A 128 6.058 1.749 3.213 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.743 0.906 2.373 1.00 0.00 O ATOM 1984 ND2 ASN A 128 6.075 3.051 2.951 1.00 0.00 N ATOM 0 H ASN A 128 4.070 -0.542 4.536 1.00 0.00 H new ATOM 0 HA ASN A 128 6.251 -0.720 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 128 5.959 1.994 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.526 1.476 4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.820 3.388 2.023 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.343 3.714 3.678 1.00 0.00 H new ATOM 1991 N ARG A 129 6.444 -1.592 6.816 1.00 0.00 N ATOM 1992 CA ARG A 129 7.188 -2.185 7.920 1.00 0.00 C ATOM 1993 C ARG A 129 8.128 -1.163 8.554 1.00 0.00 C ATOM 1994 O ARG A 129 9.233 -1.499 8.978 1.00 0.00 O ATOM 1995 CB ARG A 129 7.988 -3.395 7.432 1.00 0.00 C ATOM 1996 CG ARG A 129 8.413 -3.297 5.976 1.00 0.00 C ATOM 1997 CD ARG A 129 9.699 -2.500 5.824 1.00 0.00 C ATOM 1998 NE ARG A 129 9.830 -1.922 4.489 1.00 0.00 N ATOM 1999 CZ ARG A 129 10.678 -0.944 4.192 1.00 0.00 C ATOM 2000 NH1 ARG A 129 11.467 -0.438 5.129 1.00 0.00 N ATOM 2001 NH2 ARG A 129 10.739 -0.471 2.953 1.00 0.00 N ATOM 0 H ARG A 129 5.501 -1.961 6.697 1.00 0.00 H new ATOM 0 HA ARG A 129 6.472 -2.511 8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.876 -3.508 8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 129 7.388 -4.295 7.567 1.00 0.00 H new ATOM 0 HG2 ARG A 129 8.554 -4.298 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 129 7.620 -2.825 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 129 9.722 -1.703 6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 129 10.553 -3.148 6.024 1.00 0.00 H new ATOM 0 HE ARG A 129 9.238 -2.290 3.744 1.00 0.00 H new ATOM 0 HH11 ARG A 129 11.424 -0.800 6.082 1.00 0.00 H new ATOM 0 HH12 ARG A 129 12.117 0.313 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 129 10.134 -0.859 2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 129 11.390 0.280 2.725 1.00 0.00 H new ATOM 2015 N GLY A 130 7.679 0.087 8.615 1.00 0.00 N ATOM 2016 CA GLY A 130 8.492 1.139 9.197 1.00 0.00 C ATOM 2017 C GLY A 130 7.673 2.352 9.593 1.00 0.00 C ATOM 2018 O GLY A 130 7.108 2.400 10.686 1.00 0.00 O ATOM 0 H GLY A 130 6.767 0.390 8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 130 9.009 0.751 10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.258 1.439 8.482 1.00 0.00 H new ATOM 2022 N LYS A 131 7.610 3.337 8.703 1.00 0.00 N ATOM 2023 CA LYS A 131 6.855 4.557 8.963 1.00 0.00 C ATOM 2024 C LYS A 131 5.427 4.435 8.442 1.00 0.00 C ATOM 2025 O LYS A 131 4.489 4.245 9.214 1.00 0.00 O ATOM 2026 CB LYS A 131 7.547 5.757 8.313 1.00 0.00 C ATOM 2027 CG LYS A 131 8.652 6.357 9.164 1.00 0.00 C ATOM 2028 CD LYS A 131 8.116 7.424 10.104 1.00 0.00 C ATOM 2029 CE LYS A 131 8.993 7.571 11.338 1.00 0.00 C ATOM 2030 NZ LYS A 131 10.181 8.429 11.076 1.00 0.00 N ATOM 0 H LYS A 131 8.073 3.314 7.795 1.00 0.00 H new ATOM 0 HA LYS A 131 6.817 4.708 10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.965 5.449 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.803 6.526 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.134 5.570 9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.415 6.790 8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.061 8.378 9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.101 7.167 10.406 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.407 8.001 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.322 6.586 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.753 8.504 11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.754 8.006 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 9.867 9.377 10.785 1.00 0.00 H new ATOM 2044 N ASN A 132 5.271 4.545 7.126 1.00 0.00 N ATOM 2045 CA ASN A 132 3.957 4.446 6.502 1.00 0.00 C ATOM 2046 C ASN A 132 4.071 4.502 4.982 1.00 0.00 C ATOM 2047 O ASN A 132 5.144 4.767 4.439 1.00 0.00 O ATOM 2048 CB ASN A 132 3.047 5.572 6.998 1.00 0.00 C ATOM 2049 CG ASN A 132 2.280 5.186 8.248 1.00 0.00 C ATOM 2050 OD1 ASN A 132 1.800 4.060 8.373 1.00 0.00 O ATOM 2051 ND2 ASN A 132 2.160 6.124 9.181 1.00 0.00 N ATOM 0 H ASN A 132 6.038 4.703 6.472 1.00 0.00 H new ATOM 0 HA ASN A 132 3.522 3.486 6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 132 3.648 6.458 7.203 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.342 5.840 6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 132 1.654 5.924 10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.574 7.045 9.035 1.00 0.00 H new ATOM 2058 N TYR A 133 2.959 4.252 4.300 1.00 0.00 N ATOM 2059 CA TYR A 133 2.934 4.272 2.843 1.00 0.00 C ATOM 2060 C TYR A 133 2.671 5.682 2.322 1.00 0.00 C ATOM 2061 O TYR A 133 1.533 6.041 2.018 1.00 0.00 O ATOM 2062 CB TYR A 133 1.864 3.314 2.316 1.00 0.00 C ATOM 2063 CG TYR A 133 2.289 1.863 2.334 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.168 1.365 1.379 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.812 0.990 3.304 1.00 0.00 C ATOM 2066 CE1 TYR A 133 3.559 0.040 1.391 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.198 -0.336 3.324 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.072 -0.806 2.365 1.00 0.00 C ATOM 2069 OH TYR A 133 3.458 -2.127 2.381 1.00 0.00 O ATOM 0 H TYR A 133 2.062 4.033 4.734 1.00 0.00 H new ATOM 0 HA TYR A 133 3.911 3.947 2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 133 0.960 3.427 2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 133 1.607 3.596 1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 133 3.552 2.025 0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.127 1.355 4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.242 -0.331 0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.818 -1.001 4.086 1.00 0.00 H new ATOM 0 HH TYR A 133 3.026 -2.585 3.132 1.00 0.00 H new ATOM 2079 N ARG A 134 3.732 6.476 2.221 1.00 0.00 N ATOM 2080 CA ARG A 134 3.617 7.846 1.738 1.00 0.00 C ATOM 2081 C ARG A 134 3.340 7.872 0.237 1.00 0.00 C ATOM 2082 O ARG A 134 3.966 7.143 -0.532 1.00 0.00 O ATOM 2083 CB ARG A 134 4.897 8.627 2.045 1.00 0.00 C ATOM 2084 CG ARG A 134 6.100 8.165 1.239 1.00 0.00 C ATOM 2085 CD ARG A 134 7.350 8.951 1.604 1.00 0.00 C ATOM 2086 NE ARG A 134 7.233 10.362 1.246 1.00 0.00 N ATOM 2087 CZ ARG A 134 7.998 11.316 1.763 1.00 0.00 C ATOM 2088 NH1 ARG A 134 8.931 11.013 2.655 1.00 0.00 N ATOM 2089 NH2 ARG A 134 7.832 12.578 1.388 1.00 0.00 N ATOM 0 H ARG A 134 4.681 6.194 2.467 1.00 0.00 H new ATOM 0 HA ARG A 134 2.780 8.317 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 134 4.723 9.685 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 134 5.124 8.533 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 134 6.272 7.103 1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 134 5.893 8.282 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.534 8.863 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 134 8.212 8.518 1.096 1.00 0.00 H new ATOM 0 HE ARG A 134 6.525 10.629 0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.063 10.044 2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 134 9.517 11.749 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 134 7.116 12.816 0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 134 8.420 13.310 1.786 1.00 0.00 H new ATOM 2103 N ILE A 135 2.398 8.716 -0.170 1.00 0.00 N ATOM 2104 CA ILE A 135 2.039 8.837 -1.578 1.00 0.00 C ATOM 2105 C ILE A 135 2.390 10.220 -2.118 1.00 0.00 C ATOM 2106 O ILE A 135 1.725 11.207 -1.802 1.00 0.00 O ATOM 2107 CB ILE A 135 0.538 8.577 -1.800 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.161 7.180 -1.305 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.185 8.736 -3.272 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -1.329 6.920 -1.303 1.00 0.00 C ATOM 0 H ILE A 135 1.870 9.326 0.454 1.00 0.00 H new ATOM 0 HA ILE A 135 2.613 8.083 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.031 9.310 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.650 6.436 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.546 7.046 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.880 8.549 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.421 9.750 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.760 8.023 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.522 5.910 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.823 7.640 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.717 7.022 -2.316 1.00 0.00 H new ATOM 2122 N ILE A 136 3.436 10.282 -2.935 1.00 0.00 N ATOM 2123 CA ILE A 136 3.873 11.543 -3.521 1.00 0.00 C ATOM 2124 C ILE A 136 3.433 11.654 -4.977 1.00 0.00 C ATOM 2125 O ILE A 136 2.871 10.714 -5.539 1.00 0.00 O ATOM 2126 CB ILE A 136 5.403 11.699 -3.445 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.090 10.595 -4.251 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.867 11.673 -1.997 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.598 10.713 -4.274 1.00 0.00 C ATOM 0 H ILE A 136 3.996 9.474 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 136 3.406 12.339 -2.941 1.00 0.00 H new ATOM 0 HB ILE A 136 5.677 12.662 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 136 5.816 9.627 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.716 10.617 -5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.951 11.784 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.399 12.492 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.584 10.724 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.018 9.898 -4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.882 11.666 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 136 7.983 10.660 -3.256 1.00 0.00 H new ATOM 2141 N ARG A 137 3.694 12.808 -5.582 1.00 0.00 N ATOM 2142 CA ARG A 137 3.325 13.042 -6.973 1.00 0.00 C ATOM 2143 C ARG A 137 4.471 12.668 -7.909 1.00 0.00 C ATOM 2144 O ARG A 137 5.606 12.481 -7.473 1.00 0.00 O ATOM 2145 CB ARG A 137 2.941 14.508 -7.181 1.00 0.00 C ATOM 2146 CG ARG A 137 1.913 14.718 -8.281 1.00 0.00 C ATOM 2147 CD ARG A 137 1.081 15.967 -8.036 1.00 0.00 C ATOM 2148 NE ARG A 137 -0.010 16.095 -8.998 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.634 17.240 -9.253 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.276 18.349 -8.621 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -1.618 17.277 -10.143 1.00 0.00 N ATOM 0 H ARG A 137 4.160 13.595 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 137 2.467 12.412 -7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.548 14.908 -6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.838 15.079 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.419 14.800 -9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.258 13.849 -8.339 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.672 15.938 -7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.722 16.847 -8.095 1.00 0.00 H new ATOM 0 HE ARG A 137 -0.309 15.260 -9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.480 18.325 -7.937 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.757 19.227 -8.819 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -1.896 16.426 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -2.096 18.156 -10.338 1.00 0.00 H new ATOM 2165 N ALA A 138 4.163 12.559 -9.197 1.00 0.00 N ATOM 2166 CA ALA A 138 5.167 12.208 -10.195 1.00 0.00 C ATOM 2167 C ALA A 138 6.002 13.423 -10.584 1.00 0.00 C ATOM 2168 O ALA A 138 7.195 13.303 -10.863 1.00 0.00 O ATOM 2169 CB ALA A 138 4.501 11.607 -11.424 1.00 0.00 C ATOM 0 H ALA A 138 3.227 12.708 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 138 5.835 11.466 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 138 5.262 11.350 -12.161 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.954 10.709 -11.139 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.810 12.332 -11.854 1.00 0.00 H new ATOM 2175 N GLU A 139 5.367 14.591 -10.601 1.00 0.00 N ATOM 2176 CA GLU A 139 6.053 15.827 -10.958 1.00 0.00 C ATOM 2177 C GLU A 139 7.069 16.214 -9.887 1.00 0.00 C ATOM 2178 O GLU A 139 8.111 16.800 -10.186 1.00 0.00 O ATOM 2179 CB GLU A 139 5.043 16.959 -11.152 1.00 0.00 C ATOM 2180 CG GLU A 139 4.248 17.287 -9.899 1.00 0.00 C ATOM 2181 CD GLU A 139 3.324 18.474 -10.088 1.00 0.00 C ATOM 2182 OE1 GLU A 139 2.168 18.263 -10.511 1.00 0.00 O ATOM 2183 OE2 GLU A 139 3.756 19.613 -9.813 1.00 0.00 O ATOM 0 H GLU A 139 4.380 14.707 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 139 6.585 15.660 -11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.571 17.854 -11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.352 16.685 -11.949 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.660 16.416 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.937 17.494 -9.080 1.00 0.00 H new