USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=31 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 117 TYR OH : rot -43:sc= 1.01 USER MOD Set 1.2: A 119 CYS SG : rot 50:sc= -0.013 USER MOD Set 2.1: A 40 ASN : amide:sc= 0.646 K(o=1.6,f=-4.5!) USER MOD Set 2.2: A 51 THR OG1 : rot -85:sc= 0.951 USER MOD Single : A 12 SER OG : rot 41:sc= 0.00283 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.219 F(o=-0.94,f=-0.22) USER MOD Single : A 32 GLN : amide:sc= -1.44 K(o=-1.4,f=-2) USER MOD Single : A 35 HIS : no HD1:sc= -2.01 K(o=-2,f=-2.7!) USER MOD Single : A 37 CYS SG : rot -114:sc= 0.491 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= -0.306 (180deg=-1.37) USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= -0.19 (180deg=-1.32) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.462 K(o=-0.46,f=-3.7!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0.439 (180deg=0.419) 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= -0.307 (180deg=-2.76!) USER MOD Single : A 68 THR OG1 : rot 150:sc= -0.0483 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -152:sc= -4.51! USER MOD Single : A 81 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 35:sc= 0.155 USER MOD Single : A 111 MET CE :methyl 146:sc= -1.66 (180deg=-2.69) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.0857 USER MOD Single : A 120 ASN : amide:sc= -2.4 K(o=-2.4,f=-3.9!) USER MOD Single : A 122 GLN : amide:sc= -0.358 X(o=-0.36,f=0) 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 127 SER OG : rot 38:sc= 0.793 USER MOD Single : A 128 ASN : amide:sc= -8.34! C(o=-8.3!,f=-21!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -3.95! C(o=-4!,f=-7.2!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 -0.839 12.586 -12.928 1.00 0.00 N ATOM 118 CA SER A 12 -0.983 11.427 -12.055 1.00 0.00 C ATOM 119 C SER A 12 0.029 11.478 -10.914 1.00 0.00 C ATOM 120 O SER A 12 0.864 12.380 -10.849 1.00 0.00 O ATOM 121 CB SER A 12 -0.802 10.135 -12.854 1.00 0.00 C ATOM 122 OG SER A 12 -1.874 9.943 -13.762 1.00 0.00 O ATOM 0 HA SER A 12 -1.986 11.446 -11.630 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.140 10.171 -13.401 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.743 9.287 -12.172 1.00 0.00 H new ATOM 0 HG SER A 12 -2.105 10.798 -14.181 1.00 0.00 H new ATOM 128 N PHE A 13 -0.054 10.502 -10.015 1.00 0.00 N ATOM 129 CA PHE A 13 0.853 10.435 -8.875 1.00 0.00 C ATOM 130 C PHE A 13 1.734 9.191 -8.953 1.00 0.00 C ATOM 131 O PHE A 13 1.477 8.284 -9.744 1.00 0.00 O ATOM 132 CB PHE A 13 0.060 10.431 -7.566 1.00 0.00 C ATOM 133 CG PHE A 13 -0.584 11.751 -7.252 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.727 12.156 -7.923 1.00 0.00 C ATOM 135 CD2 PHE A 13 -0.048 12.586 -6.285 1.00 0.00 C ATOM 136 CE1 PHE A 13 -2.321 13.371 -7.636 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.638 13.802 -5.994 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.777 14.194 -6.670 1.00 0.00 C ATOM 0 H PHE A 13 -0.739 9.748 -10.054 1.00 0.00 H new ATOM 0 HA PHE A 13 1.495 11.315 -8.901 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.712 9.663 -7.620 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.726 10.157 -6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.158 11.516 -8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.841 12.283 -5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.210 13.676 -8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.209 14.444 -5.239 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.241 15.142 -6.443 1.00 0.00 H new ATOM 148 N VAL A 14 2.774 9.157 -8.126 1.00 0.00 N ATOM 149 CA VAL A 14 3.693 8.026 -8.100 1.00 0.00 C ATOM 150 C VAL A 14 3.976 7.581 -6.669 1.00 0.00 C ATOM 151 O VAL A 14 3.567 8.238 -5.711 1.00 0.00 O ATOM 152 CB VAL A 14 5.025 8.369 -8.792 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.805 8.628 -10.275 1.00 0.00 C ATOM 154 CG2 VAL A 14 5.679 9.569 -8.124 1.00 0.00 C ATOM 0 H VAL A 14 3.001 9.900 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 14 3.210 7.213 -8.642 1.00 0.00 H new ATOM 0 HB VAL A 14 5.696 7.516 -8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.757 8.869 -10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.384 7.737 -10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.116 9.464 -10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.619 9.797 -8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.014 10.430 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.873 9.341 -7.076 1.00 0.00 H new ATOM 164 N LEU A 15 4.679 6.462 -6.532 1.00 0.00 N ATOM 165 CA LEU A 15 5.019 5.928 -5.217 1.00 0.00 C ATOM 166 C LEU A 15 6.477 6.214 -4.874 1.00 0.00 C ATOM 167 O LEU A 15 7.366 6.043 -5.708 1.00 0.00 O ATOM 168 CB LEU A 15 4.758 4.422 -5.174 1.00 0.00 C ATOM 169 CG LEU A 15 3.389 3.962 -5.679 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.466 2.539 -6.207 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.350 4.068 -4.572 1.00 0.00 C ATOM 0 H LEU A 15 5.025 5.907 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 15 4.388 6.421 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.527 3.923 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.876 4.082 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 15 3.086 4.615 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.483 2.229 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.180 2.494 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.791 1.872 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.382 3.737 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.647 3.439 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.275 5.104 -4.241 1.00 0.00 H new ATOM 183 N ASP A 16 6.715 6.647 -3.641 1.00 0.00 N ATOM 184 CA ASP A 16 8.067 6.953 -3.186 1.00 0.00 C ATOM 185 C ASP A 16 8.685 5.753 -2.474 1.00 0.00 C ATOM 186 O ASP A 16 9.504 5.910 -1.568 1.00 0.00 O ATOM 187 CB ASP A 16 8.051 8.163 -2.251 1.00 0.00 C ATOM 188 CG ASP A 16 9.399 8.852 -2.174 1.00 0.00 C ATOM 189 OD1 ASP A 16 10.414 8.150 -1.984 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.440 10.094 -2.302 1.00 0.00 O ATOM 0 H ASP A 16 5.990 6.794 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 16 8.674 7.187 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.301 8.875 -2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.752 7.843 -1.253 1.00 0.00 H new ATOM 195 N PHE A 17 8.286 4.556 -2.890 1.00 0.00 N ATOM 196 CA PHE A 17 8.800 3.329 -2.291 1.00 0.00 C ATOM 197 C PHE A 17 8.765 2.179 -3.293 1.00 0.00 C ATOM 198 O PHE A 17 7.812 2.037 -4.060 1.00 0.00 O ATOM 199 CB PHE A 17 7.985 2.963 -1.049 1.00 0.00 C ATOM 200 CG PHE A 17 6.538 2.682 -1.342 1.00 0.00 C ATOM 201 CD1 PHE A 17 6.144 1.448 -1.833 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.573 3.653 -1.128 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.814 1.186 -2.103 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.242 3.397 -1.396 1.00 0.00 C ATOM 205 CZ PHE A 17 3.862 2.162 -1.885 1.00 0.00 C ATOM 0 H PHE A 17 7.609 4.409 -3.639 1.00 0.00 H new ATOM 0 HA PHE A 17 9.836 3.502 -1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.429 2.086 -0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.050 3.778 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.885 0.682 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.865 4.621 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.520 0.219 -2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.499 4.162 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.822 1.960 -2.096 1.00 0.00 H new ATOM 215 N SER A 18 9.812 1.359 -3.281 1.00 0.00 N ATOM 216 CA SER A 18 9.904 0.224 -4.191 1.00 0.00 C ATOM 217 C SER A 18 8.925 -0.876 -3.789 1.00 0.00 C ATOM 218 O SER A 18 8.537 -0.980 -2.626 1.00 0.00 O ATOM 219 CB SER A 18 11.331 -0.329 -4.207 1.00 0.00 C ATOM 220 OG SER A 18 11.747 -0.705 -2.906 1.00 0.00 O ATOM 0 H SER A 18 10.608 1.460 -2.651 1.00 0.00 H new ATOM 0 HA SER A 18 9.644 0.570 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.383 -1.191 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.011 0.423 -4.607 1.00 0.00 H new ATOM 0 HG SER A 18 12.661 -1.057 -2.944 1.00 0.00 H new ATOM 226 N GLN A 19 8.532 -1.693 -4.761 1.00 0.00 N ATOM 227 CA GLN A 19 7.598 -2.784 -4.509 1.00 0.00 C ATOM 228 C GLN A 19 8.119 -3.704 -3.410 1.00 0.00 C ATOM 229 O GLN A 19 9.300 -4.052 -3.366 1.00 0.00 O ATOM 230 CB GLN A 19 7.359 -3.585 -5.790 1.00 0.00 C ATOM 231 CG GLN A 19 6.945 -2.727 -6.975 1.00 0.00 C ATOM 232 CD GLN A 19 5.454 -2.455 -7.006 1.00 0.00 C ATOM 233 OE1 GLN A 19 4.690 -3.187 -7.636 1.00 0.00 O ATOM 234 NE2 GLN A 19 5.030 -1.398 -6.323 1.00 0.00 N ATOM 0 H GLN A 19 8.845 -1.620 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 19 6.654 -2.351 -4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.270 -4.127 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.586 -4.330 -5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.483 -1.780 -6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.239 -3.224 -7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.697 -0.818 -5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.037 -1.166 -6.307 1.00 0.00 H new ATOM 243 N PRO A 20 7.221 -4.108 -2.500 1.00 0.00 N ATOM 244 CA PRO A 20 7.567 -4.994 -1.384 1.00 0.00 C ATOM 245 C PRO A 20 7.883 -6.412 -1.846 1.00 0.00 C ATOM 246 O PRO A 20 8.869 -7.010 -1.416 1.00 0.00 O ATOM 247 CB PRO A 20 6.306 -4.982 -0.517 1.00 0.00 C ATOM 248 CG PRO A 20 5.201 -4.652 -1.460 1.00 0.00 C ATOM 249 CD PRO A 20 5.797 -3.733 -2.491 1.00 0.00 C ATOM 0 HA PRO A 20 8.463 -4.660 -0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.144 -5.949 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.381 -4.242 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.802 -5.554 -1.925 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.374 -4.170 -0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.338 -3.875 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.659 -2.685 -2.223 1.00 0.00 H new ATOM 257 N SER A 21 7.040 -6.945 -2.726 1.00 0.00 N ATOM 258 CA SER A 21 7.228 -8.295 -3.244 1.00 0.00 C ATOM 259 C SER A 21 8.681 -8.524 -3.648 1.00 0.00 C ATOM 260 O SER A 21 9.240 -9.595 -3.415 1.00 0.00 O ATOM 261 CB SER A 21 6.309 -8.536 -4.442 1.00 0.00 C ATOM 262 OG SER A 21 6.426 -7.493 -5.394 1.00 0.00 O ATOM 0 H SER A 21 6.221 -6.462 -3.095 1.00 0.00 H new ATOM 0 HA SER A 21 6.974 -9.000 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.558 -9.489 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.276 -8.608 -4.103 1.00 0.00 H new ATOM 0 HG SER A 21 5.829 -7.672 -6.150 1.00 0.00 H new ATOM 268 N ALA A 22 9.287 -7.509 -4.256 1.00 0.00 N ATOM 269 CA ALA A 22 10.675 -7.598 -4.692 1.00 0.00 C ATOM 270 C ALA A 22 11.497 -8.453 -3.734 1.00 0.00 C ATOM 271 O ALA A 22 12.283 -9.300 -4.161 1.00 0.00 O ATOM 272 CB ALA A 22 11.280 -6.207 -4.813 1.00 0.00 C ATOM 0 H ALA A 22 8.838 -6.616 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 22 10.693 -8.077 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.317 -6.288 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.715 -5.626 -5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.243 -5.708 -3.844 1.00 0.00 H new ATOM 278 N ASP A 23 11.312 -8.227 -2.438 1.00 0.00 N ATOM 279 CA ASP A 23 12.037 -8.977 -1.420 1.00 0.00 C ATOM 280 C ASP A 23 11.177 -10.108 -0.863 1.00 0.00 C ATOM 281 O ASP A 23 10.387 -9.904 0.059 1.00 0.00 O ATOM 282 CB ASP A 23 12.476 -8.048 -0.287 1.00 0.00 C ATOM 283 CG ASP A 23 13.269 -6.858 -0.789 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.407 -7.059 -1.263 1.00 0.00 O ATOM 285 OD2 ASP A 23 12.752 -5.724 -0.709 1.00 0.00 O ATOM 0 H ASP A 23 10.666 -7.530 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 23 12.921 -9.412 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.596 -7.694 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.080 -8.609 0.426 1.00 0.00 H new ATOM 290 N TYR A 24 11.336 -11.299 -1.429 1.00 0.00 N ATOM 291 CA TYR A 24 10.572 -12.461 -0.992 1.00 0.00 C ATOM 292 C TYR A 24 10.750 -12.698 0.505 1.00 0.00 C ATOM 293 O TYR A 24 9.791 -13.003 1.216 1.00 0.00 O ATOM 294 CB TYR A 24 11.004 -13.704 -1.771 1.00 0.00 C ATOM 295 CG TYR A 24 10.264 -14.959 -1.368 1.00 0.00 C ATOM 296 CD1 TYR A 24 10.462 -15.536 -0.120 1.00 0.00 C ATOM 297 CD2 TYR A 24 9.364 -15.567 -2.235 1.00 0.00 C ATOM 298 CE1 TYR A 24 9.788 -16.683 0.252 1.00 0.00 C ATOM 299 CE2 TYR A 24 8.685 -16.714 -1.871 1.00 0.00 C ATOM 300 CZ TYR A 24 8.900 -17.268 -0.627 1.00 0.00 C ATOM 301 OH TYR A 24 8.226 -18.410 -0.259 1.00 0.00 O ATOM 0 H TYR A 24 11.987 -11.485 -2.192 1.00 0.00 H new ATOM 0 HA TYR A 24 9.518 -12.266 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.849 -13.527 -2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.073 -13.860 -1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.155 -15.080 0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.192 -15.136 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.955 -17.119 1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.990 -17.174 -2.557 1.00 0.00 H new ATOM 0 HH TYR A 24 7.639 -18.693 -0.991 1.00 0.00 H new ATOM 311 N LEU A 25 11.983 -12.556 0.978 1.00 0.00 N ATOM 312 CA LEU A 25 12.289 -12.753 2.390 1.00 0.00 C ATOM 313 C LEU A 25 11.729 -11.612 3.233 1.00 0.00 C ATOM 314 O LEU A 25 10.835 -11.815 4.056 1.00 0.00 O ATOM 315 CB LEU A 25 13.801 -12.859 2.595 1.00 0.00 C ATOM 316 CG LEU A 25 14.400 -14.260 2.466 1.00 0.00 C ATOM 317 CD1 LEU A 25 13.787 -15.199 3.494 1.00 0.00 C ATOM 318 CD2 LEU A 25 14.195 -14.800 1.058 1.00 0.00 C ATOM 0 H LEU A 25 12.788 -12.305 0.404 1.00 0.00 H new ATOM 0 HA LEU A 25 11.819 -13.682 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.292 -12.208 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.041 -12.473 3.586 1.00 0.00 H new ATOM 0 HG LEU A 25 15.471 -14.196 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.225 -16.191 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.986 -14.820 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.710 -15.259 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.628 -15.798 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.128 -14.850 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.682 -14.140 0.341 1.00 0.00 H new ATOM 330 N ASP A 26 12.258 -10.412 3.022 1.00 0.00 N ATOM 331 CA ASP A 26 11.809 -9.237 3.760 1.00 0.00 C ATOM 332 C ASP A 26 10.288 -9.120 3.720 1.00 0.00 C ATOM 333 O ASP A 26 9.679 -8.516 4.604 1.00 0.00 O ATOM 334 CB ASP A 26 12.446 -7.972 3.183 1.00 0.00 C ATOM 335 CG ASP A 26 11.997 -6.717 3.906 1.00 0.00 C ATOM 336 OD1 ASP A 26 11.825 -6.773 5.142 1.00 0.00 O ATOM 337 OD2 ASP A 26 11.819 -5.679 3.236 1.00 0.00 O ATOM 0 H ASP A 26 12.999 -10.227 2.346 1.00 0.00 H new ATOM 0 HA ASP A 26 12.120 -9.349 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.531 -8.055 3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.192 -7.890 2.126 1.00 0.00 H new ATOM 342 N PHE A 27 9.681 -9.699 2.690 1.00 0.00 N ATOM 343 CA PHE A 27 8.232 -9.658 2.534 1.00 0.00 C ATOM 344 C PHE A 27 7.563 -10.736 3.381 1.00 0.00 C ATOM 345 O PHE A 27 6.814 -10.434 4.310 1.00 0.00 O ATOM 346 CB PHE A 27 7.851 -9.839 1.063 1.00 0.00 C ATOM 347 CG PHE A 27 6.373 -9.987 0.841 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.560 -8.870 0.731 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.796 -11.243 0.742 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.199 -9.004 0.528 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.436 -11.383 0.538 1.00 0.00 C ATOM 352 CZ PHE A 27 3.637 -10.262 0.429 1.00 0.00 C ATOM 0 H PHE A 27 10.170 -10.203 1.950 1.00 0.00 H new ATOM 0 HA PHE A 27 7.882 -8.684 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.212 -8.982 0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.359 -10.719 0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.994 -7.884 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.416 -12.123 0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.576 -8.126 0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.999 -12.368 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.575 -10.369 0.267 1.00 0.00 H new ATOM 362 N ARG A 28 7.838 -11.994 3.053 1.00 0.00 N ATOM 363 CA ARG A 28 7.262 -13.118 3.781 1.00 0.00 C ATOM 364 C ARG A 28 7.370 -12.901 5.288 1.00 0.00 C ATOM 365 O ARG A 28 6.502 -13.327 6.050 1.00 0.00 O ATOM 366 CB ARG A 28 7.963 -14.420 3.391 1.00 0.00 C ATOM 367 CG ARG A 28 9.192 -14.725 4.232 1.00 0.00 C ATOM 368 CD ARG A 28 9.733 -16.117 3.943 1.00 0.00 C ATOM 369 NE ARG A 28 10.664 -16.568 4.974 1.00 0.00 N ATOM 370 CZ ARG A 28 10.953 -17.845 5.195 1.00 0.00 C ATOM 371 NH1 ARG A 28 10.388 -18.793 4.460 1.00 0.00 N ATOM 372 NH2 ARG A 28 11.810 -18.177 6.153 1.00 0.00 N ATOM 0 H ARG A 28 8.457 -12.261 2.287 1.00 0.00 H new ATOM 0 HA ARG A 28 6.207 -13.189 3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.256 -15.245 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.255 -14.366 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.965 -13.984 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.940 -14.644 5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.903 -16.820 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.236 -16.117 2.976 1.00 0.00 H new ATOM 0 HE ARG A 28 11.117 -15.863 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.729 -18.542 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.612 -19.773 4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.247 -17.451 6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.031 -19.158 6.322 1.00 0.00 H new ATOM 386 N ASN A 29 8.441 -12.236 5.710 1.00 0.00 N ATOM 387 CA ASN A 29 8.662 -11.964 7.126 1.00 0.00 C ATOM 388 C ASN A 29 7.472 -11.227 7.731 1.00 0.00 C ATOM 389 O ASN A 29 7.044 -11.527 8.846 1.00 0.00 O ATOM 390 CB ASN A 29 9.937 -11.139 7.314 1.00 0.00 C ATOM 391 CG ASN A 29 11.184 -12.001 7.345 1.00 0.00 C ATOM 392 OD1 ASN A 29 12.169 -11.646 6.527 1.00 0.00 O flip ATOM 393 ND2 ASN A 29 11.261 -12.975 8.095 1.00 0.00 N flip ATOM 0 H ASN A 29 9.169 -11.876 5.092 1.00 0.00 H new ATOM 0 HA ASN A 29 8.775 -12.918 7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.020 -10.414 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.867 -10.573 8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.480 -13.211 8.707 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.106 -13.546 8.104 1.00 0.00 H new ATOM 400 N ARG A 30 6.941 -10.261 6.988 1.00 0.00 N ATOM 401 CA ARG A 30 5.800 -9.480 7.451 1.00 0.00 C ATOM 402 C ARG A 30 4.515 -10.300 7.380 1.00 0.00 C ATOM 403 O ARG A 30 3.635 -10.169 8.231 1.00 0.00 O ATOM 404 CB ARG A 30 5.653 -8.208 6.615 1.00 0.00 C ATOM 405 CG ARG A 30 6.971 -7.502 6.342 1.00 0.00 C ATOM 406 CD ARG A 30 7.598 -6.978 7.625 1.00 0.00 C ATOM 407 NE ARG A 30 6.730 -6.022 8.308 1.00 0.00 N ATOM 408 CZ ARG A 30 6.856 -5.701 9.591 1.00 0.00 C ATOM 409 NH1 ARG A 30 7.808 -6.258 10.326 1.00 0.00 N ATOM 410 NH2 ARG A 30 6.028 -4.822 10.140 1.00 0.00 N ATOM 0 H ARG A 30 7.283 -10.001 6.063 1.00 0.00 H new ATOM 0 HA ARG A 30 5.978 -9.205 8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.182 -8.460 5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.982 -7.520 7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.660 -8.191 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.806 -6.675 5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.812 -7.814 8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.551 -6.502 7.395 1.00 0.00 H new ATOM 0 HE ARG A 30 5.986 -5.576 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.446 -6.935 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.903 -6.010 11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.294 -4.392 9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.125 -4.576 11.125 1.00 0.00 H new ATOM 424 N LEU A 31 4.414 -11.145 6.360 1.00 0.00 N ATOM 425 CA LEU A 31 3.237 -11.987 6.177 1.00 0.00 C ATOM 426 C LEU A 31 3.264 -13.177 7.131 1.00 0.00 C ATOM 427 O LEU A 31 2.252 -13.848 7.329 1.00 0.00 O ATOM 428 CB LEU A 31 3.157 -12.479 4.731 1.00 0.00 C ATOM 429 CG LEU A 31 1.856 -13.174 4.329 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.801 -12.149 3.942 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.102 -14.147 3.185 1.00 0.00 C ATOM 0 H LEU A 31 5.133 -11.265 5.647 1.00 0.00 H new ATOM 0 HA LEU A 31 2.354 -11.387 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.309 -11.626 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.983 -13.169 4.557 1.00 0.00 H new ATOM 0 HG LEU A 31 1.488 -13.738 5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.118 -12.662 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.604 -11.492 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.160 -11.557 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.165 -14.632 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.494 -13.605 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.824 -14.902 3.498 1.00 0.00 H new ATOM 443 N GLN A 32 4.429 -13.430 7.720 1.00 0.00 N ATOM 444 CA GLN A 32 4.587 -14.538 8.654 1.00 0.00 C ATOM 445 C GLN A 32 4.558 -14.042 10.096 1.00 0.00 C ATOM 446 O GLN A 32 4.103 -14.747 10.996 1.00 0.00 O ATOM 447 CB GLN A 32 5.897 -15.278 8.383 1.00 0.00 C ATOM 448 CG GLN A 32 6.411 -16.064 9.578 1.00 0.00 C ATOM 449 CD GLN A 32 7.302 -15.235 10.482 1.00 0.00 C ATOM 450 OE1 GLN A 32 6.889 -14.814 11.563 1.00 0.00 O ATOM 451 NE2 GLN A 32 8.532 -14.997 10.044 1.00 0.00 N ATOM 0 H GLN A 32 5.276 -12.883 7.567 1.00 0.00 H new ATOM 0 HA GLN A 32 3.753 -15.225 8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.753 -15.960 7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.656 -14.557 8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.564 -16.439 10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.966 -16.933 9.225 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.832 -15.366 9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.177 -14.446 10.610 1.00 0.00 H new ATOM 460 N ALA A 33 5.048 -12.825 10.308 1.00 0.00 N ATOM 461 CA ALA A 33 5.077 -12.234 11.640 1.00 0.00 C ATOM 462 C ALA A 33 3.879 -11.317 11.861 1.00 0.00 C ATOM 463 O ALA A 33 3.420 -11.139 12.989 1.00 0.00 O ATOM 464 CB ALA A 33 6.375 -11.469 11.850 1.00 0.00 C ATOM 0 H ALA A 33 5.430 -12.229 9.574 1.00 0.00 H new ATOM 0 HA ALA A 33 5.022 -13.042 12.370 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.383 -11.033 12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.220 -12.150 11.745 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.454 -10.675 11.107 1.00 0.00 H new ATOM 470 N ASP A 34 3.377 -10.737 10.776 1.00 0.00 N ATOM 471 CA ASP A 34 2.231 -9.838 10.851 1.00 0.00 C ATOM 472 C ASP A 34 1.000 -10.473 10.213 1.00 0.00 C ATOM 473 O ASP A 34 -0.086 -9.892 10.221 1.00 0.00 O ATOM 474 CB ASP A 34 2.551 -8.511 10.162 1.00 0.00 C ATOM 475 CG ASP A 34 1.790 -7.346 10.765 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.985 -7.068 11.967 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.000 -6.713 10.035 1.00 0.00 O ATOM 0 H ASP A 34 3.745 -10.873 9.835 1.00 0.00 H new ATOM 0 HA ASP A 34 2.016 -9.649 11.903 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.621 -8.317 10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.310 -8.588 9.102 1.00 0.00 H new ATOM 482 N HIS A 35 1.176 -11.668 9.660 1.00 0.00 N ATOM 483 CA HIS A 35 0.079 -12.382 9.016 1.00 0.00 C ATOM 484 C HIS A 35 -0.626 -11.491 7.997 1.00 0.00 C ATOM 485 O HIS A 35 -1.826 -11.631 7.760 1.00 0.00 O ATOM 486 CB HIS A 35 -0.923 -12.871 10.063 1.00 0.00 C ATOM 487 CG HIS A 35 -0.278 -13.451 11.284 1.00 0.00 C ATOM 488 ND1 HIS A 35 -0.065 -14.803 11.452 1.00 0.00 N ATOM 489 CD2 HIS A 35 0.203 -12.854 12.399 1.00 0.00 C ATOM 490 CE1 HIS A 35 0.517 -15.013 12.619 1.00 0.00 C ATOM 491 NE2 HIS A 35 0.691 -13.846 13.214 1.00 0.00 N ATOM 0 H HIS A 35 2.068 -12.163 9.645 1.00 0.00 H new ATOM 0 HA HIS A 35 0.496 -13.242 8.493 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.561 -12.039 10.360 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.570 -13.623 9.612 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.203 -11.795 12.609 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.802 -15.975 13.019 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.118 -13.705 14.129 1.00 0.00 H new ATOM 499 N VAL A 36 0.128 -10.574 7.399 1.00 0.00 N ATOM 500 CA VAL A 36 -0.424 -9.661 6.406 1.00 0.00 C ATOM 501 C VAL A 36 0.671 -8.811 5.771 1.00 0.00 C ATOM 502 O VAL A 36 1.637 -8.431 6.434 1.00 0.00 O ATOM 503 CB VAL A 36 -1.485 -8.732 7.026 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.824 -7.670 7.892 1.00 0.00 C ATOM 505 CG2 VAL A 36 -2.333 -8.091 5.938 1.00 0.00 C ATOM 0 H VAL A 36 1.122 -10.444 7.585 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.894 -10.276 5.638 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.140 -9.329 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.589 -7.023 8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.264 -8.151 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.145 -7.074 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.077 -7.438 6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.694 -7.506 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.836 -8.869 5.363 1.00 0.00 H new ATOM 515 N CYS A 37 0.514 -8.517 4.486 1.00 0.00 N ATOM 516 CA CYS A 37 1.491 -7.712 3.760 1.00 0.00 C ATOM 517 C CYS A 37 0.980 -7.363 2.366 1.00 0.00 C ATOM 518 O CYS A 37 0.168 -8.090 1.791 1.00 0.00 O ATOM 519 CB CYS A 37 2.822 -8.458 3.657 1.00 0.00 C ATOM 520 SG CYS A 37 4.253 -7.383 3.400 1.00 0.00 S ATOM 0 H CYS A 37 -0.280 -8.824 3.924 1.00 0.00 H new ATOM 0 HA CYS A 37 1.644 -6.785 4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.974 -9.035 4.569 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.764 -9.171 2.834 1.00 0.00 H new ATOM 0 HG CYS A 37 4.757 -7.605 2.222 1.00 0.00 H new ATOM 526 N LEU A 38 1.459 -6.247 1.829 1.00 0.00 N ATOM 527 CA LEU A 38 1.050 -5.800 0.502 1.00 0.00 C ATOM 528 C LEU A 38 1.970 -6.371 -0.573 1.00 0.00 C ATOM 529 O LEU A 38 3.164 -6.078 -0.599 1.00 0.00 O ATOM 530 CB LEU A 38 1.054 -4.272 0.433 1.00 0.00 C ATOM 531 CG LEU A 38 0.959 -3.662 -0.966 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.493 -3.540 -1.398 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.645 -2.304 -1.004 1.00 0.00 C ATOM 0 H LEU A 38 2.131 -5.635 2.292 1.00 0.00 H new ATOM 0 HA LEU A 38 0.039 -6.163 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.220 -3.899 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.968 -3.910 0.904 1.00 0.00 H new ATOM 0 HG LEU A 38 1.470 -4.324 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.540 -3.104 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.953 -4.528 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.029 -2.900 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.567 -1.885 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.164 -1.633 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.696 -2.420 -0.740 1.00 0.00 H new ATOM 545 N GLU A 39 1.403 -7.185 -1.458 1.00 0.00 N ATOM 546 CA GLU A 39 2.173 -7.795 -2.535 1.00 0.00 C ATOM 547 C GLU A 39 2.629 -6.743 -3.542 1.00 0.00 C ATOM 548 O GLU A 39 3.820 -6.455 -3.659 1.00 0.00 O ATOM 549 CB GLU A 39 1.341 -8.867 -3.243 1.00 0.00 C ATOM 550 CG GLU A 39 2.174 -9.853 -4.044 1.00 0.00 C ATOM 551 CD GLU A 39 1.453 -11.165 -4.286 1.00 0.00 C ATOM 552 OE1 GLU A 39 0.214 -11.139 -4.448 1.00 0.00 O ATOM 553 OE2 GLU A 39 2.125 -12.217 -4.313 1.00 0.00 O ATOM 0 H GLU A 39 0.415 -7.437 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 39 3.056 -8.260 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.761 -9.414 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.628 -8.381 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.438 -9.406 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.107 -10.048 -3.516 1.00 0.00 H new ATOM 560 N ASN A 40 1.673 -6.172 -4.267 1.00 0.00 N ATOM 561 CA ASN A 40 1.975 -5.153 -5.265 1.00 0.00 C ATOM 562 C ASN A 40 0.990 -3.992 -5.172 1.00 0.00 C ATOM 563 O ASN A 40 -0.187 -4.186 -4.864 1.00 0.00 O ATOM 564 CB ASN A 40 1.938 -5.757 -6.670 1.00 0.00 C ATOM 565 CG ASN A 40 0.534 -6.142 -7.096 1.00 0.00 C ATOM 566 OD1 ASN A 40 0.047 -7.223 -6.765 1.00 0.00 O ATOM 567 ND2 ASN A 40 -0.123 -5.256 -7.836 1.00 0.00 N ATOM 0 H ASN A 40 0.682 -6.398 -4.182 1.00 0.00 H new ATOM 0 HA ASN A 40 2.977 -4.773 -5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.347 -5.040 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.579 -6.638 -6.701 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.071 -5.459 -8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.320 -4.372 -8.087 1.00 0.00 H new ATOM 574 N CYS A 41 1.478 -2.786 -5.441 1.00 0.00 N ATOM 575 CA CYS A 41 0.641 -1.593 -5.387 1.00 0.00 C ATOM 576 C CYS A 41 0.947 -0.661 -6.556 1.00 0.00 C ATOM 577 O CYS A 41 1.978 0.011 -6.574 1.00 0.00 O ATOM 578 CB CYS A 41 0.850 -0.856 -4.064 1.00 0.00 C ATOM 579 SG CYS A 41 -0.276 0.536 -3.807 1.00 0.00 S ATOM 0 H CYS A 41 2.449 -2.609 -5.699 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.400 -1.907 -5.458 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.729 -1.563 -3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.876 -0.492 -4.022 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.022 1.094 -2.660 1.00 0.00 H new ATOM 585 N VAL A 42 0.044 -0.627 -7.531 1.00 0.00 N ATOM 586 CA VAL A 42 0.218 0.221 -8.704 1.00 0.00 C ATOM 587 C VAL A 42 -0.610 1.496 -8.587 1.00 0.00 C ATOM 588 O VAL A 42 -1.478 1.609 -7.721 1.00 0.00 O ATOM 589 CB VAL A 42 -0.179 -0.519 -9.996 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.685 -1.756 -10.189 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.655 -0.888 -9.966 1.00 0.00 C ATOM 0 H VAL A 42 -0.815 -1.177 -7.532 1.00 0.00 H new ATOM 0 HA VAL A 42 1.276 0.480 -8.753 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.012 0.147 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.391 -2.266 -11.106 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.732 -1.461 -10.258 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.552 -2.428 -9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.918 -1.410 -10.886 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.851 -1.537 -9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.255 0.018 -9.878 1.00 0.00 H new ATOM 601 N LEU A 43 -0.336 2.455 -9.465 1.00 0.00 N ATOM 602 CA LEU A 43 -1.056 3.724 -9.462 1.00 0.00 C ATOM 603 C LEU A 43 -1.744 3.963 -10.802 1.00 0.00 C ATOM 604 O LEU A 43 -1.223 3.593 -11.854 1.00 0.00 O ATOM 605 CB LEU A 43 -0.097 4.875 -9.155 1.00 0.00 C ATOM 606 CG LEU A 43 -0.704 6.080 -8.434 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.339 6.762 -7.562 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.288 7.063 -9.437 1.00 0.00 C ATOM 0 H LEU A 43 0.379 2.378 -10.188 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.820 3.679 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.721 4.488 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.338 5.219 -10.093 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.510 5.726 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.111 7.617 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.710 6.056 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.167 7.103 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.715 7.914 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.501 7.411 -10.106 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.067 6.570 -10.019 1.00 0.00 H new ATOM 620 N LYS A 44 -2.916 4.587 -10.756 1.00 0.00 N ATOM 621 CA LYS A 44 -3.675 4.880 -11.966 1.00 0.00 C ATOM 622 C LYS A 44 -4.282 6.278 -11.902 1.00 0.00 C ATOM 623 O LYS A 44 -4.062 7.017 -10.942 1.00 0.00 O ATOM 624 CB LYS A 44 -4.781 3.841 -12.163 1.00 0.00 C ATOM 625 CG LYS A 44 -4.279 2.407 -12.144 1.00 0.00 C ATOM 626 CD LYS A 44 -5.338 1.453 -11.618 1.00 0.00 C ATOM 627 CE LYS A 44 -6.512 1.339 -12.578 1.00 0.00 C ATOM 628 NZ LYS A 44 -7.504 2.432 -12.374 1.00 0.00 N ATOM 0 H LYS A 44 -3.361 4.900 -9.893 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.991 4.838 -12.813 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.529 3.966 -11.380 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.280 4.030 -13.113 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.988 2.109 -13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.387 2.341 -11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.897 0.468 -11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.693 1.801 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.146 1.368 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.001 0.375 -12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.458 2.080 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.471 2.751 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.277 3.229 -13.002 1.00 0.00 H new ATOM 642 N ASP A 45 -5.047 6.633 -12.928 1.00 0.00 N ATOM 643 CA ASP A 45 -5.688 7.942 -12.988 1.00 0.00 C ATOM 644 C ASP A 45 -6.538 8.187 -11.745 1.00 0.00 C ATOM 645 O ASP A 45 -7.538 7.504 -11.519 1.00 0.00 O ATOM 646 CB ASP A 45 -6.553 8.053 -14.244 1.00 0.00 C ATOM 647 CG ASP A 45 -7.237 6.746 -14.593 1.00 0.00 C ATOM 648 OD1 ASP A 45 -8.344 6.497 -14.069 1.00 0.00 O ATOM 649 OD2 ASP A 45 -6.667 5.973 -15.391 1.00 0.00 O ATOM 0 H ASP A 45 -5.239 6.033 -13.730 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.907 8.701 -13.027 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.307 8.826 -14.095 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.932 8.370 -15.082 1.00 0.00 H new ATOM 654 N LYS A 46 -6.135 9.165 -10.942 1.00 0.00 N ATOM 655 CA LYS A 46 -6.859 9.502 -9.722 1.00 0.00 C ATOM 656 C LYS A 46 -7.396 8.245 -9.044 1.00 0.00 C ATOM 657 O LYS A 46 -8.471 8.263 -8.444 1.00 0.00 O ATOM 658 CB LYS A 46 -8.013 10.457 -10.036 1.00 0.00 C ATOM 659 CG LYS A 46 -7.629 11.924 -9.946 1.00 0.00 C ATOM 660 CD LYS A 46 -8.845 12.827 -10.066 1.00 0.00 C ATOM 661 CE LYS A 46 -9.478 12.731 -11.445 1.00 0.00 C ATOM 662 NZ LYS A 46 -10.525 11.674 -11.503 1.00 0.00 N ATOM 0 H LYS A 46 -5.310 9.739 -11.114 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.164 9.993 -9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.384 10.248 -11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.834 10.262 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.127 12.112 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.917 12.164 -10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.579 12.553 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.554 13.859 -9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.918 13.692 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.706 12.518 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.298 11.002 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.560 11.169 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.450 12.111 -11.691 1.00 0.00 H new ATOM 676 N ALA A 47 -6.641 7.156 -9.142 1.00 0.00 N ATOM 677 CA ALA A 47 -7.040 5.893 -8.535 1.00 0.00 C ATOM 678 C ALA A 47 -5.836 4.981 -8.323 1.00 0.00 C ATOM 679 O ALA A 47 -4.798 5.149 -8.965 1.00 0.00 O ATOM 680 CB ALA A 47 -8.084 5.199 -9.397 1.00 0.00 C ATOM 0 H ALA A 47 -5.749 7.123 -9.636 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.476 6.109 -7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.373 4.257 -8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.961 5.840 -9.493 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.668 5.003 -10.385 1.00 0.00 H new ATOM 686 N ILE A 48 -5.980 4.018 -7.419 1.00 0.00 N ATOM 687 CA ILE A 48 -4.904 3.080 -7.124 1.00 0.00 C ATOM 688 C ILE A 48 -5.420 1.646 -7.088 1.00 0.00 C ATOM 689 O ILE A 48 -6.622 1.410 -6.972 1.00 0.00 O ATOM 690 CB ILE A 48 -4.228 3.405 -5.779 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.076 2.882 -4.618 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.005 4.904 -5.646 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.484 3.176 -3.257 1.00 0.00 C ATOM 0 H ILE A 48 -6.831 3.867 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.170 3.179 -7.924 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.258 2.909 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.070 3.325 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.201 1.805 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.527 5.117 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.365 5.250 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.964 5.420 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.138 2.777 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.502 2.710 -3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.385 4.254 -3.128 1.00 0.00 H new ATOM 705 N ALA A 49 -4.501 0.690 -7.186 1.00 0.00 N ATOM 706 CA ALA A 49 -4.862 -0.722 -7.161 1.00 0.00 C ATOM 707 C ALA A 49 -3.716 -1.572 -6.622 1.00 0.00 C ATOM 708 O ALA A 49 -2.569 -1.421 -7.040 1.00 0.00 O ATOM 709 CB ALA A 49 -5.260 -1.190 -8.553 1.00 0.00 C ATOM 0 H ALA A 49 -3.501 0.868 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.714 -0.842 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.527 -2.246 -8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.115 -0.610 -8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.423 -1.049 -9.237 1.00 0.00 H new ATOM 715 N GLY A 50 -4.035 -2.466 -5.691 1.00 0.00 N ATOM 716 CA GLY A 50 -3.021 -3.326 -5.110 1.00 0.00 C ATOM 717 C GLY A 50 -3.608 -4.582 -4.497 1.00 0.00 C ATOM 718 O GLY A 50 -4.783 -4.613 -4.130 1.00 0.00 O ATOM 0 H GLY A 50 -4.978 -2.610 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.300 -3.603 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.475 -2.773 -4.346 1.00 0.00 H new ATOM 722 N THR A 51 -2.789 -5.623 -4.385 1.00 0.00 N ATOM 723 CA THR A 51 -3.234 -6.888 -3.814 1.00 0.00 C ATOM 724 C THR A 51 -2.571 -7.146 -2.466 1.00 0.00 C ATOM 725 O THR A 51 -1.352 -7.036 -2.330 1.00 0.00 O ATOM 726 CB THR A 51 -2.930 -8.067 -4.757 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.535 -8.090 -5.079 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.749 -7.964 -6.035 1.00 0.00 C ATOM 0 H THR A 51 -1.813 -5.615 -4.682 1.00 0.00 H new ATOM 0 HA THR A 51 -4.313 -6.811 -3.676 1.00 0.00 H new ATOM 0 HB THR A 51 -3.200 -8.991 -4.245 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.364 -7.491 -5.836 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.517 -8.808 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.811 -7.977 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.507 -7.033 -6.548 1.00 0.00 H new ATOM 736 N VAL A 52 -3.381 -7.491 -1.470 1.00 0.00 N ATOM 737 CA VAL A 52 -2.873 -7.767 -0.132 1.00 0.00 C ATOM 738 C VAL A 52 -2.905 -9.261 0.171 1.00 0.00 C ATOM 739 O VAL A 52 -3.816 -9.972 -0.252 1.00 0.00 O ATOM 740 CB VAL A 52 -3.684 -7.019 0.943 1.00 0.00 C ATOM 741 CG1 VAL A 52 -3.246 -7.444 2.336 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.543 -5.515 0.765 1.00 0.00 C ATOM 0 H VAL A 52 -4.392 -7.586 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.841 -7.416 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.736 -7.279 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.830 -6.905 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.405 -8.516 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.188 -7.217 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.122 -5.002 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.493 -5.235 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.912 -5.229 -0.220 1.00 0.00 H new ATOM 752 N LYS A 53 -1.904 -9.731 0.907 1.00 0.00 N ATOM 753 CA LYS A 53 -1.816 -11.141 1.270 1.00 0.00 C ATOM 754 C LYS A 53 -2.195 -11.351 2.732 1.00 0.00 C ATOM 755 O LYS A 53 -2.058 -10.446 3.555 1.00 0.00 O ATOM 756 CB LYS A 53 -0.402 -11.667 1.017 1.00 0.00 C ATOM 757 CG LYS A 53 -0.142 -12.044 -0.431 1.00 0.00 C ATOM 758 CD LYS A 53 -0.920 -13.286 -0.832 1.00 0.00 C ATOM 759 CE LYS A 53 -0.116 -14.553 -0.580 1.00 0.00 C ATOM 760 NZ LYS A 53 0.761 -14.892 -1.735 1.00 0.00 N ATOM 0 H LYS A 53 -1.141 -9.156 1.264 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.519 -11.695 0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.319 -10.908 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.230 -12.540 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.421 -11.214 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.924 -12.218 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.854 -13.329 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.185 -13.226 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.494 -14.424 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.796 -15.382 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.292 -15.761 -1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.177 -15.040 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.427 -14.112 -1.906 1.00 0.00 H new ATOM 774 N VAL A 54 -2.671 -12.551 3.049 1.00 0.00 N ATOM 775 CA VAL A 54 -3.067 -12.881 4.413 1.00 0.00 C ATOM 776 C VAL A 54 -2.802 -14.350 4.722 1.00 0.00 C ATOM 777 O VAL A 54 -2.785 -15.190 3.823 1.00 0.00 O ATOM 778 CB VAL A 54 -4.557 -12.577 4.654 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.830 -11.088 4.506 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.426 -13.384 3.700 1.00 0.00 C ATOM 0 H VAL A 54 -2.792 -13.311 2.379 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.466 -12.259 5.076 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.809 -12.868 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.888 -10.893 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.235 -10.535 5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.563 -10.767 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.476 -13.157 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.174 -13.126 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.251 -14.448 3.860 1.00 0.00 H new ATOM 790 N GLN A 55 -2.597 -14.653 6.000 1.00 0.00 N ATOM 791 CA GLN A 55 -2.333 -16.022 6.427 1.00 0.00 C ATOM 792 C GLN A 55 -3.635 -16.797 6.606 1.00 0.00 C ATOM 793 O GLN A 55 -4.671 -16.222 6.936 1.00 0.00 O ATOM 794 CB GLN A 55 -1.540 -16.026 7.735 1.00 0.00 C ATOM 795 CG GLN A 55 -0.043 -15.854 7.539 1.00 0.00 C ATOM 796 CD GLN A 55 0.632 -17.123 7.057 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.049 -17.902 6.302 1.00 0.00 O ATOM 798 NE2 GLN A 55 1.869 -17.338 7.490 1.00 0.00 N ATOM 0 H GLN A 55 -2.609 -13.970 6.757 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.744 -16.511 5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.908 -15.225 8.376 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.724 -16.964 8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.136 -15.056 6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.409 -15.541 8.480 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.315 -16.666 8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.373 -18.175 7.198 1.00 0.00 H new ATOM 807 N ASN A 56 -3.573 -18.106 6.384 1.00 0.00 N ATOM 808 CA ASN A 56 -4.747 -18.960 6.519 1.00 0.00 C ATOM 809 C ASN A 56 -4.994 -19.318 7.982 1.00 0.00 C ATOM 810 O ASN A 56 -5.236 -20.479 8.316 1.00 0.00 O ATOM 811 CB ASN A 56 -4.574 -20.236 5.693 1.00 0.00 C ATOM 812 CG ASN A 56 -5.900 -20.817 5.241 1.00 0.00 C ATOM 813 OD1 ASN A 56 -6.599 -20.230 4.416 1.00 0.00 O ATOM 814 ND2 ASN A 56 -6.252 -21.977 5.783 1.00 0.00 N ATOM 0 H ASN A 56 -2.723 -18.598 6.110 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.611 -18.409 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.959 -20.019 4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.038 -20.978 6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.134 -22.417 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.641 -22.428 6.464 1.00 0.00 H new ATOM 821 N LEU A 57 -4.932 -18.314 8.849 1.00 0.00 N ATOM 822 CA LEU A 57 -5.150 -18.522 10.277 1.00 0.00 C ATOM 823 C LEU A 57 -6.543 -19.085 10.539 1.00 0.00 C ATOM 824 O LEU A 57 -6.690 -20.157 11.125 1.00 0.00 O ATOM 825 CB LEU A 57 -4.966 -17.207 11.037 1.00 0.00 C ATOM 826 CG LEU A 57 -3.657 -16.461 10.782 1.00 0.00 C ATOM 827 CD1 LEU A 57 -3.691 -15.085 11.428 1.00 0.00 C ATOM 828 CD2 LEU A 57 -2.474 -17.266 11.302 1.00 0.00 C ATOM 0 H LEU A 57 -4.733 -17.348 8.589 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.415 -19.245 10.631 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.794 -16.545 10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.040 -17.414 12.105 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.539 -16.332 9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.750 -14.569 11.235 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.514 -14.507 11.009 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.833 -15.191 12.503 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.550 -16.719 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.586 -17.427 12.374 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.437 -18.229 10.793 1.00 0.00 H new ATOM 840 N ALA A 58 -7.563 -18.354 10.099 1.00 0.00 N ATOM 841 CA ALA A 58 -8.944 -18.783 10.283 1.00 0.00 C ATOM 842 C ALA A 58 -9.691 -18.812 8.954 1.00 0.00 C ATOM 843 O ALA A 58 -9.172 -18.369 7.929 1.00 0.00 O ATOM 844 CB ALA A 58 -9.654 -17.867 11.269 1.00 0.00 C ATOM 0 H ALA A 58 -7.459 -17.463 9.613 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.933 -19.795 10.687 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.684 -18.199 11.397 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.140 -17.899 12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.646 -16.846 10.887 1.00 0.00 H new ATOM 850 N PHE A 59 -10.912 -19.336 8.978 1.00 0.00 N ATOM 851 CA PHE A 59 -11.729 -19.425 7.773 1.00 0.00 C ATOM 852 C PHE A 59 -12.161 -18.038 7.306 1.00 0.00 C ATOM 853 O PHE A 59 -11.844 -17.621 6.193 1.00 0.00 O ATOM 854 CB PHE A 59 -12.962 -20.294 8.031 1.00 0.00 C ATOM 855 CG PHE A 59 -13.474 -20.987 6.801 1.00 0.00 C ATOM 856 CD1 PHE A 59 -14.352 -20.345 5.942 1.00 0.00 C ATOM 857 CD2 PHE A 59 -13.077 -22.281 6.502 1.00 0.00 C ATOM 858 CE1 PHE A 59 -14.825 -20.981 4.810 1.00 0.00 C ATOM 859 CE2 PHE A 59 -13.547 -22.922 5.371 1.00 0.00 C ATOM 860 CZ PHE A 59 -14.421 -22.270 4.523 1.00 0.00 C ATOM 0 H PHE A 59 -11.357 -19.705 9.818 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.127 -19.883 6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.718 -21.042 8.785 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.755 -19.672 8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.670 -19.336 6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.392 -22.795 7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -15.510 -20.470 4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -13.231 -23.931 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 59 -14.788 -22.767 3.637 1.00 0.00 H new ATOM 870 N GLU A 60 -12.886 -17.329 8.166 1.00 0.00 N ATOM 871 CA GLU A 60 -13.362 -15.990 7.841 1.00 0.00 C ATOM 872 C GLU A 60 -12.236 -14.967 7.963 1.00 0.00 C ATOM 873 O GLU A 60 -11.537 -14.914 8.975 1.00 0.00 O ATOM 874 CB GLU A 60 -14.522 -15.599 8.759 1.00 0.00 C ATOM 875 CG GLU A 60 -15.854 -16.204 8.348 1.00 0.00 C ATOM 876 CD GLU A 60 -17.034 -15.525 9.016 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.288 -15.812 10.205 1.00 0.00 O ATOM 878 OE2 GLU A 60 -17.704 -14.707 8.351 1.00 0.00 O ATOM 0 H GLU A 60 -13.156 -17.660 9.092 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.712 -15.998 6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.290 -15.911 9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.614 -14.513 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.963 -16.132 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.860 -17.265 8.599 1.00 0.00 H new ATOM 885 N LYS A 61 -12.066 -14.157 6.924 1.00 0.00 N ATOM 886 CA LYS A 61 -11.026 -13.134 6.913 1.00 0.00 C ATOM 887 C LYS A 61 -11.603 -11.776 6.529 1.00 0.00 C ATOM 888 O LYS A 61 -12.481 -11.682 5.671 1.00 0.00 O ATOM 889 CB LYS A 61 -9.912 -13.521 5.937 1.00 0.00 C ATOM 890 CG LYS A 61 -9.223 -14.828 6.288 1.00 0.00 C ATOM 891 CD LYS A 61 -8.155 -15.187 5.269 1.00 0.00 C ATOM 892 CE LYS A 61 -7.930 -16.690 5.202 1.00 0.00 C ATOM 893 NZ LYS A 61 -8.871 -17.350 4.256 1.00 0.00 N ATOM 0 H LYS A 61 -12.635 -14.189 6.078 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.611 -13.062 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.330 -13.599 4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.169 -12.724 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.771 -14.748 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.962 -15.628 6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.450 -14.818 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.221 -14.690 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.904 -16.890 4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.053 -17.120 6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.663 -18.368 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.848 -17.209 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.760 -16.934 3.309 1.00 0.00 H new ATOM 907 N THR A 62 -11.103 -10.723 7.170 1.00 0.00 N ATOM 908 CA THR A 62 -11.568 -9.370 6.895 1.00 0.00 C ATOM 909 C THR A 62 -10.406 -8.451 6.534 1.00 0.00 C ATOM 910 O THR A 62 -9.564 -8.139 7.376 1.00 0.00 O ATOM 911 CB THR A 62 -12.319 -8.778 8.103 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.415 -9.626 8.462 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.833 -7.381 7.790 1.00 0.00 C ATOM 0 H THR A 62 -10.376 -10.782 7.883 1.00 0.00 H new ATOM 0 HA THR A 62 -12.251 -9.437 6.048 1.00 0.00 H new ATOM 0 HB THR A 62 -11.622 -8.712 8.939 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.886 -9.244 9.232 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.360 -6.984 8.658 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.993 -6.730 7.546 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.515 -7.426 6.941 1.00 0.00 H new ATOM 921 N VAL A 63 -10.367 -8.021 5.277 1.00 0.00 N ATOM 922 CA VAL A 63 -9.308 -7.136 4.805 1.00 0.00 C ATOM 923 C VAL A 63 -9.869 -5.780 4.393 1.00 0.00 C ATOM 924 O VAL A 63 -10.693 -5.686 3.483 1.00 0.00 O ATOM 925 CB VAL A 63 -8.554 -7.751 3.611 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.496 -6.788 3.094 1.00 0.00 C ATOM 927 CG2 VAL A 63 -7.928 -9.081 4.005 1.00 0.00 C ATOM 0 H VAL A 63 -11.056 -8.271 4.567 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.613 -7.002 5.634 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.268 -7.934 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.974 -7.240 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.973 -5.862 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.782 -6.571 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.399 -9.502 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.226 -8.924 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.710 -9.771 4.324 1.00 0.00 H new ATOM 937 N LYS A 64 -9.417 -4.729 5.069 1.00 0.00 N ATOM 938 CA LYS A 64 -9.871 -3.375 4.774 1.00 0.00 C ATOM 939 C LYS A 64 -8.704 -2.393 4.795 1.00 0.00 C ATOM 940 O LYS A 64 -7.880 -2.414 5.709 1.00 0.00 O ATOM 941 CB LYS A 64 -10.936 -2.941 5.784 1.00 0.00 C ATOM 942 CG LYS A 64 -12.342 -3.377 5.411 1.00 0.00 C ATOM 943 CD LYS A 64 -13.254 -3.417 6.625 1.00 0.00 C ATOM 944 CE LYS A 64 -14.417 -4.375 6.418 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.337 -4.393 7.589 1.00 0.00 N ATOM 0 H LYS A 64 -8.736 -4.789 5.826 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.305 -3.374 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.685 -3.351 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.914 -1.855 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.752 -2.691 4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.307 -4.363 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.682 -3.722 7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.637 -2.417 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.971 -4.085 5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.033 -5.380 6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.116 -5.058 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.814 -4.694 8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.724 -3.440 7.741 1.00 0.00 H new ATOM 959 N ILE A 65 -8.642 -1.534 3.783 1.00 0.00 N ATOM 960 CA ILE A 65 -7.577 -0.543 3.688 1.00 0.00 C ATOM 961 C ILE A 65 -7.995 0.776 4.330 1.00 0.00 C ATOM 962 O ILE A 65 -9.126 1.231 4.159 1.00 0.00 O ATOM 963 CB ILE A 65 -7.178 -0.284 2.223 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.804 -1.598 1.534 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.023 0.704 2.156 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.543 -2.230 2.081 1.00 0.00 C ATOM 0 H ILE A 65 -9.316 -1.504 3.018 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.719 -0.949 4.223 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.031 0.148 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.629 -2.302 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.676 -1.416 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.752 0.877 1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.323 1.646 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.165 0.297 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.339 -3.157 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.706 -1.544 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.674 -2.444 3.142 1.00 0.00 H new ATOM 978 N ARG A 66 -7.074 1.386 5.068 1.00 0.00 N ATOM 979 CA ARG A 66 -7.346 2.654 5.735 1.00 0.00 C ATOM 980 C ARG A 66 -6.377 3.735 5.265 1.00 0.00 C ATOM 981 O ARG A 66 -5.192 3.707 5.596 1.00 0.00 O ATOM 982 CB ARG A 66 -7.244 2.488 7.253 1.00 0.00 C ATOM 983 CG ARG A 66 -7.987 1.273 7.784 1.00 0.00 C ATOM 984 CD ARG A 66 -9.424 1.612 8.147 1.00 0.00 C ATOM 985 NE ARG A 66 -10.181 0.430 8.550 1.00 0.00 N ATOM 986 CZ ARG A 66 -10.236 -0.017 9.799 1.00 0.00 C ATOM 987 NH1 ARG A 66 -9.583 0.618 10.763 1.00 0.00 N ATOM 988 NH2 ARG A 66 -10.947 -1.100 10.087 1.00 0.00 N ATOM 0 H ARG A 66 -6.133 1.023 5.219 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.359 2.961 5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.193 2.411 7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.637 3.383 7.735 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.977 0.483 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.471 0.885 8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.431 2.340 8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.912 2.081 7.293 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.696 -0.080 7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.037 1.452 10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.627 0.273 11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.452 -1.590 9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.988 -1.442 11.047 1.00 0.00 H new ATOM 1002 N MET A 67 -6.890 4.685 4.491 1.00 0.00 N ATOM 1003 CA MET A 67 -6.070 5.776 3.976 1.00 0.00 C ATOM 1004 C MET A 67 -6.661 7.129 4.360 1.00 0.00 C ATOM 1005 O MET A 67 -7.878 7.314 4.340 1.00 0.00 O ATOM 1006 CB MET A 67 -5.946 5.674 2.454 1.00 0.00 C ATOM 1007 CG MET A 67 -5.063 6.750 1.843 1.00 0.00 C ATOM 1008 SD MET A 67 -4.233 6.198 0.341 1.00 0.00 S ATOM 1009 CE MET A 67 -5.527 6.448 -0.872 1.00 0.00 C ATOM 0 H MET A 67 -7.869 4.722 4.206 1.00 0.00 H new ATOM 0 HA MET A 67 -5.078 5.693 4.421 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.543 4.695 2.195 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.940 5.737 2.012 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.670 7.627 1.617 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.316 7.059 2.574 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.648 5.543 -1.467 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.464 6.676 -0.363 1.00 0.00 H new ATOM 0 HE3 MET A 67 -5.258 7.278 -1.525 1.00 0.00 H new ATOM 1019 N THR A 68 -5.792 8.072 4.709 1.00 0.00 N ATOM 1020 CA THR A 68 -6.228 9.407 5.099 1.00 0.00 C ATOM 1021 C THR A 68 -5.700 10.461 4.133 1.00 0.00 C ATOM 1022 O THR A 68 -4.759 10.212 3.379 1.00 0.00 O ATOM 1023 CB THR A 68 -5.763 9.755 6.525 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.380 10.973 6.958 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.249 9.900 6.581 1.00 0.00 C ATOM 0 H THR A 68 -4.781 7.936 4.730 1.00 0.00 H new ATOM 0 HA THR A 68 -7.318 9.405 5.071 1.00 0.00 H new ATOM 0 HB THR A 68 -6.059 8.942 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.493 10.954 7.931 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.944 10.146 7.598 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.782 8.962 6.279 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.934 10.696 5.906 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.312 11.641 4.160 1.00 0.00 N ATOM 1034 CA PHE A 69 -5.904 12.734 3.286 1.00 0.00 C ATOM 1035 C PHE A 69 -5.778 14.038 4.068 1.00 0.00 C ATOM 1036 O PHE A 69 -5.616 15.111 3.486 1.00 0.00 O ATOM 1037 CB PHE A 69 -6.909 12.906 2.145 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.187 11.635 1.394 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -8.208 10.788 1.794 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.427 11.288 0.289 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.465 9.618 1.105 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -6.679 10.119 -0.404 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.700 9.284 0.004 1.00 0.00 C ATOM 0 H PHE A 69 -7.092 11.864 4.778 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.929 12.486 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.845 13.291 2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.531 13.655 1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.809 11.045 2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.628 11.939 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.263 8.965 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.078 9.859 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.900 8.371 -0.537 1.00 0.00 H new ATOM 1053 N ASP A 70 -5.854 13.937 5.391 1.00 0.00 N ATOM 1054 CA ASP A 70 -5.748 15.107 6.255 1.00 0.00 C ATOM 1055 C ASP A 70 -4.822 14.829 7.435 1.00 0.00 C ATOM 1056 O ASP A 70 -5.278 14.606 8.557 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.130 15.521 6.761 1.00 0.00 C ATOM 1058 CG ASP A 70 -7.063 16.646 7.775 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -5.944 17.117 8.064 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -8.130 17.054 8.280 1.00 0.00 O ATOM 0 H ASP A 70 -5.989 13.057 5.888 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.325 15.923 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.744 15.833 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.622 14.659 7.211 1.00 0.00 H new ATOM 1065 N THR A 71 -3.518 14.843 7.174 1.00 0.00 N ATOM 1066 CA THR A 71 -2.529 14.591 8.214 1.00 0.00 C ATOM 1067 C THR A 71 -3.043 13.577 9.229 1.00 0.00 C ATOM 1068 O THR A 71 -2.969 13.801 10.437 1.00 0.00 O ATOM 1069 CB THR A 71 -2.145 15.888 8.951 1.00 0.00 C ATOM 1070 OG1 THR A 71 -1.890 16.932 8.005 1.00 0.00 O ATOM 1071 CG2 THR A 71 -0.915 15.672 9.820 1.00 0.00 C ATOM 0 H THR A 71 -3.123 15.026 6.252 1.00 0.00 H new ATOM 0 HA THR A 71 -1.646 14.188 7.718 1.00 0.00 H new ATOM 0 HB THR A 71 -2.978 16.176 9.593 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.648 17.753 8.482 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.663 16.601 10.331 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.122 14.897 10.558 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.078 15.363 9.195 1.00 0.00 H new ATOM 1079 N TRP A 72 -3.565 12.461 8.731 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.092 11.411 9.595 1.00 0.00 C ATOM 1081 C TRP A 72 -5.151 11.966 10.541 1.00 0.00 C ATOM 1082 O TRP A 72 -5.105 11.729 11.749 1.00 0.00 O ATOM 1083 CB TRP A 72 -2.960 10.768 10.398 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.133 9.810 9.596 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -0.984 10.092 8.913 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.391 8.417 9.392 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.513 8.957 8.296 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.358 7.916 8.575 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.394 7.543 9.821 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.302 6.582 8.180 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.337 6.219 9.428 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.297 5.749 8.615 1.00 0.00 C ATOM 0 H TRP A 72 -3.634 12.260 7.733 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.556 10.653 8.964 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.314 11.552 10.793 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.384 10.243 11.254 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.515 11.063 8.865 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.329 8.900 7.723 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.199 7.896 10.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.502 6.218 7.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.107 5.535 9.753 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.280 4.709 8.326 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.105 12.705 9.986 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.178 13.293 10.780 1.00 0.00 C ATOM 1105 C LYS A 73 -8.417 12.404 10.762 1.00 0.00 C ATOM 1106 O LYS A 73 -9.028 12.154 11.801 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.528 14.686 10.250 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.699 15.798 10.868 1.00 0.00 C ATOM 1109 CD LYS A 73 -7.435 16.472 12.014 1.00 0.00 C ATOM 1110 CE LYS A 73 -8.572 17.347 11.507 1.00 0.00 C ATOM 1111 NZ LYS A 73 -9.619 17.552 12.546 1.00 0.00 N ATOM 0 H LYS A 73 -6.157 12.911 8.988 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.830 13.380 11.809 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.390 14.699 9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.583 14.883 10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.755 15.391 11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.455 16.538 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.831 15.714 12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.736 17.079 12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.176 18.313 11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.020 16.887 10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.376 18.153 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.015 16.632 12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.198 18.014 13.377 1.00 0.00 H new ATOM 1125 N SER A 74 -8.783 11.930 9.575 1.00 0.00 N ATOM 1126 CA SER A 74 -9.951 11.071 9.422 1.00 0.00 C ATOM 1127 C SER A 74 -9.862 10.257 8.134 1.00 0.00 C ATOM 1128 O SER A 74 -9.783 10.815 7.039 1.00 0.00 O ATOM 1129 CB SER A 74 -11.231 11.909 9.422 1.00 0.00 C ATOM 1130 OG SER A 74 -12.380 11.086 9.524 1.00 0.00 O ATOM 0 H SER A 74 -8.287 12.127 8.705 1.00 0.00 H new ATOM 0 HA SER A 74 -9.977 10.382 10.266 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.209 12.612 10.254 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.283 12.499 8.507 1.00 0.00 H new ATOM 0 HG SER A 74 -13.184 11.646 9.524 1.00 0.00 H new ATOM 1136 N TYR A 75 -9.877 8.937 8.274 1.00 0.00 N ATOM 1137 CA TYR A 75 -9.795 8.045 7.123 1.00 0.00 C ATOM 1138 C TYR A 75 -11.050 7.184 7.012 1.00 0.00 C ATOM 1139 O TYR A 75 -11.893 7.174 7.909 1.00 0.00 O ATOM 1140 CB TYR A 75 -8.558 7.152 7.230 1.00 0.00 C ATOM 1141 CG TYR A 75 -8.361 6.551 8.603 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -9.110 5.457 9.018 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -7.427 7.078 9.486 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -8.935 4.905 10.272 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -7.243 6.532 10.742 1.00 0.00 C ATOM 1146 CZ TYR A 75 -8.000 5.446 11.130 1.00 0.00 C ATOM 1147 OH TYR A 75 -7.821 4.899 12.380 1.00 0.00 O ATOM 0 H TYR A 75 -9.945 8.460 9.173 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.715 8.658 6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.637 6.348 6.499 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.675 7.736 6.968 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.842 5.031 8.348 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.834 7.929 9.186 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -9.527 4.055 10.579 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.511 6.953 11.416 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.125 5.396 12.858 1.00 0.00 H new ATOM 1157 N THR A 76 -11.166 6.460 5.903 1.00 0.00 N ATOM 1158 CA THR A 76 -12.316 5.595 5.672 1.00 0.00 C ATOM 1159 C THR A 76 -11.879 4.163 5.386 1.00 0.00 C ATOM 1160 O THR A 76 -10.906 3.933 4.667 1.00 0.00 O ATOM 1161 CB THR A 76 -13.173 6.103 4.496 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.563 7.461 4.725 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.412 5.238 4.317 1.00 0.00 C ATOM 0 H THR A 76 -10.477 6.456 5.151 1.00 0.00 H new ATOM 0 HA THR A 76 -12.914 5.614 6.583 1.00 0.00 H new ATOM 0 HB THR A 76 -12.574 6.046 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.106 7.777 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.002 5.615 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.112 4.210 4.114 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.011 5.268 5.227 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.603 3.204 5.952 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.290 1.793 5.756 1.00 0.00 C ATOM 1173 C ASP A 77 -12.907 1.275 4.461 1.00 0.00 C ATOM 1174 O ASP A 77 -14.116 1.052 4.382 1.00 0.00 O ATOM 1175 CB ASP A 77 -12.793 0.968 6.941 1.00 0.00 C ATOM 1176 CG ASP A 77 -14.296 0.773 6.914 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -15.014 1.734 6.565 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -14.755 -0.341 7.242 1.00 0.00 O ATOM 0 H ASP A 77 -13.411 3.378 6.550 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.207 1.692 5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.303 -0.006 6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.510 1.462 7.870 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.070 1.085 3.446 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.534 0.595 2.154 1.00 0.00 C ATOM 1185 C PHE A 78 -12.479 -0.929 2.098 1.00 0.00 C ATOM 1186 O PHE A 78 -11.475 -1.552 2.445 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.687 1.188 1.026 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.349 2.638 1.229 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.342 3.603 1.211 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.038 3.034 1.436 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.035 4.938 1.398 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -9.724 4.367 1.624 1.00 0.00 C ATOM 1193 CZ PHE A 78 -10.724 5.320 1.603 1.00 0.00 C ATOM 0 H PHE A 78 -11.067 1.263 3.494 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.570 0.909 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.763 0.617 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.222 1.076 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.369 3.309 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.252 2.293 1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.819 5.681 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.698 4.663 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 78 -10.481 6.362 1.747 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.584 -1.544 1.653 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.688 -3.002 1.542 1.00 0.00 C ATOM 1205 C PRO A 79 -12.809 -3.563 0.429 1.00 0.00 C ATOM 1206 O PRO A 79 -12.821 -3.061 -0.696 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.167 -3.229 1.221 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.613 -1.963 0.574 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.818 -0.864 1.224 1.00 0.00 C ATOM 0 HA PRO A 79 -13.353 -3.505 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.301 -4.082 0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.741 -3.436 2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.435 -1.990 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.682 -1.808 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.608 -0.053 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.351 -0.428 2.069 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.049 -4.604 0.749 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.164 -5.233 -0.225 1.00 0.00 C ATOM 1219 C CYS A 80 -11.896 -6.321 -1.002 1.00 0.00 C ATOM 1220 O CYS A 80 -12.726 -7.041 -0.448 1.00 0.00 O ATOM 1221 CB CYS A 80 -9.940 -5.825 0.476 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.646 -4.618 0.847 1.00 0.00 S ATOM 0 H CYS A 80 -12.028 -5.031 1.675 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.836 -4.468 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.260 -6.296 1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.520 -6.611 -0.152 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.491 -5.214 0.871 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.584 -6.434 -2.289 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.214 -7.433 -3.143 1.00 0.00 C ATOM 1230 C GLN A 81 -11.432 -8.742 -3.118 1.00 0.00 C ATOM 1231 O GLN A 81 -10.339 -8.813 -2.557 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.319 -6.915 -4.579 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.565 -6.084 -4.837 1.00 0.00 C ATOM 1234 CD GLN A 81 -14.756 -6.929 -5.245 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.044 -7.083 -6.432 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -15.455 -7.482 -4.261 1.00 0.00 N ATOM 0 H GLN A 81 -10.899 -5.846 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.216 -7.622 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.438 -6.314 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.310 -7.763 -5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.815 -5.521 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.356 -5.356 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.180 -7.328 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.267 -8.061 -4.475 1.00 0.00 H new ATOM 1245 N TYR A 82 -12.000 -9.776 -3.729 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.357 -11.084 -3.775 1.00 0.00 C ATOM 1247 C TYR A 82 -10.878 -11.407 -5.186 1.00 0.00 C ATOM 1248 O TYR A 82 -11.634 -11.298 -6.152 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.323 -12.167 -3.292 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.667 -13.513 -3.081 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -11.088 -14.200 -4.141 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.625 -14.098 -1.821 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.488 -15.430 -3.953 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -11.026 -15.327 -1.623 1.00 0.00 C ATOM 1255 CZ TYR A 82 -10.460 -15.989 -2.692 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.862 -17.214 -2.501 1.00 0.00 O ATOM 0 H TYR A 82 -12.904 -9.734 -4.199 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.490 -11.058 -3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.779 -11.844 -2.356 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.128 -12.274 -4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.107 -13.765 -5.129 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.068 -13.583 -0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.043 -15.951 -4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.001 -15.767 -0.637 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.927 -17.466 -1.556 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.615 -11.806 -5.299 1.00 0.00 N ATOM 1267 CA VAL A 83 -9.033 -12.147 -6.592 1.00 0.00 C ATOM 1268 C VAL A 83 -9.066 -13.653 -6.829 1.00 0.00 C ATOM 1269 O VAL A 83 -8.349 -14.412 -6.177 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.578 -11.654 -6.700 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -7.034 -11.897 -8.100 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.486 -10.181 -6.332 1.00 0.00 C ATOM 0 H VAL A 83 -8.975 -11.901 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.635 -11.649 -7.352 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.968 -12.220 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.005 -11.542 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.063 -12.964 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.644 -11.359 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.451 -9.849 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.109 -9.597 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.832 -10.039 -5.308 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.853 -16.944 -0.016 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.923 -16.048 -0.439 1.00 0.00 C ATOM 1417 C ASP A 93 -5.373 -14.666 -0.779 1.00 0.00 C ATOM 1418 O ASP A 93 -4.760 -14.005 0.060 1.00 0.00 O ATOM 1419 CB ASP A 93 -6.984 -15.932 0.657 1.00 0.00 C ATOM 1420 CG ASP A 93 -7.623 -17.266 0.987 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -6.917 -18.294 0.925 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -8.831 -17.283 1.306 1.00 0.00 O ATOM 0 HA ASP A 93 -6.381 -16.468 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.529 -15.518 1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.756 -15.231 0.339 1.00 0.00 H new ATOM 1427 N THR A 94 -5.594 -14.235 -2.017 1.00 0.00 N ATOM 1428 CA THR A 94 -5.118 -12.934 -2.470 1.00 0.00 C ATOM 1429 C THR A 94 -6.279 -11.970 -2.690 1.00 0.00 C ATOM 1430 O THR A 94 -7.132 -12.196 -3.548 1.00 0.00 O ATOM 1431 CB THR A 94 -4.310 -13.054 -3.776 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.269 -14.024 -3.620 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.707 -11.712 -4.164 1.00 0.00 C ATOM 0 H THR A 94 -6.100 -14.768 -2.724 1.00 0.00 H new ATOM 0 HA THR A 94 -4.469 -12.544 -1.685 1.00 0.00 H new ATOM 0 HB THR A 94 -4.987 -13.373 -4.569 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.761 -14.096 -4.455 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.141 -11.821 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.504 -10.983 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.043 -11.369 -3.371 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.305 -10.894 -1.910 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.362 -9.896 -2.020 1.00 0.00 C ATOM 1443 C PHE A 95 -6.853 -8.640 -2.722 1.00 0.00 C ATOM 1444 O PHE A 95 -5.680 -8.284 -2.607 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.899 -9.536 -0.634 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.342 -10.729 0.165 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.416 -11.637 0.651 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.686 -10.942 0.429 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -7.820 -12.735 1.387 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.096 -12.037 1.165 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.162 -12.936 1.643 1.00 0.00 C ATOM 0 H PHE A 95 -5.606 -10.691 -1.195 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.169 -10.323 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.125 -9.004 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.739 -8.851 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.365 -11.485 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.421 -10.244 0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.087 -13.435 1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.146 -12.190 1.367 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.481 -13.794 2.216 1.00 0.00 H new ATOM 1461 N SER A 96 -7.743 -7.975 -3.450 1.00 0.00 N ATOM 1462 CA SER A 96 -7.384 -6.761 -4.175 1.00 0.00 C ATOM 1463 C SER A 96 -8.118 -5.551 -3.605 1.00 0.00 C ATOM 1464 O SER A 96 -9.140 -5.690 -2.932 1.00 0.00 O ATOM 1465 CB SER A 96 -7.709 -6.915 -5.662 1.00 0.00 C ATOM 1466 OG SER A 96 -9.096 -7.126 -5.862 1.00 0.00 O ATOM 0 H SER A 96 -8.718 -8.256 -3.554 1.00 0.00 H new ATOM 0 HA SER A 96 -6.312 -6.602 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.392 -6.022 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.147 -7.753 -6.075 1.00 0.00 H new ATOM 0 HG SER A 96 -9.278 -7.220 -6.820 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.590 -4.363 -3.880 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.192 -3.127 -3.394 1.00 0.00 C ATOM 1474 C PHE A 97 -8.094 -2.025 -4.445 1.00 0.00 C ATOM 1475 O PHE A 97 -7.082 -1.898 -5.135 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.511 -2.676 -2.101 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.094 -2.220 -2.297 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -5.822 -0.954 -2.789 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.034 -3.057 -1.989 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.518 -0.532 -2.972 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -3.728 -2.640 -2.169 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.470 -1.375 -2.660 1.00 0.00 C ATOM 0 H PHE A 97 -6.746 -4.230 -4.437 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.246 -3.321 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.088 -1.863 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.524 -3.499 -1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.638 -0.289 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.230 -4.047 -1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.319 0.457 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.911 -3.303 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.451 -1.046 -2.800 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.153 -1.230 -4.561 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.187 -0.138 -5.526 1.00 0.00 C ATOM 1494 C ASP A 98 -9.723 1.138 -4.884 1.00 0.00 C ATOM 1495 O ASP A 98 -10.933 1.307 -4.734 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.050 -0.520 -6.730 1.00 0.00 C ATOM 1497 CG ASP A 98 -11.301 -1.275 -6.329 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -12.202 -0.653 -5.728 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -11.380 -2.488 -6.614 1.00 0.00 O ATOM 0 H ASP A 98 -9.999 -1.322 -3.998 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.168 0.048 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.332 0.383 -7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.463 -1.133 -7.414 1.00 0.00 H new ATOM 1504 N ILE A 99 -8.814 2.031 -4.507 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.196 3.291 -3.882 1.00 0.00 C ATOM 1506 C ILE A 99 -9.135 4.442 -4.881 1.00 0.00 C ATOM 1507 O ILE A 99 -8.192 4.546 -5.666 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.291 3.621 -2.680 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.510 2.607 -1.556 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -8.560 5.034 -2.187 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.320 2.462 -0.633 1.00 0.00 C ATOM 0 H ILE A 99 -7.809 1.905 -4.623 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.221 3.171 -3.532 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.251 3.561 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.379 2.907 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.741 1.636 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.913 5.252 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.358 5.744 -2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -9.602 5.120 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.546 1.727 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.453 2.131 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.102 3.423 -0.167 1.00 0.00 H new ATOM 1523 N SER A 100 -10.146 5.304 -4.845 1.00 0.00 N ATOM 1524 CA SER A 100 -10.208 6.447 -5.748 1.00 0.00 C ATOM 1525 C SER A 100 -9.547 7.672 -5.122 1.00 0.00 C ATOM 1526 O SER A 100 -9.943 8.123 -4.047 1.00 0.00 O ATOM 1527 CB SER A 100 -11.662 6.764 -6.104 1.00 0.00 C ATOM 1528 OG SER A 100 -12.465 6.849 -4.940 1.00 0.00 O ATOM 0 H SER A 100 -10.933 5.233 -4.200 1.00 0.00 H new ATOM 0 HA SER A 100 -9.666 6.189 -6.658 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.709 7.705 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.055 5.991 -6.765 1.00 0.00 H new ATOM 0 HG SER A 100 -11.942 7.241 -4.210 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.539 8.205 -5.803 1.00 0.00 N ATOM 1535 CA LEU A 101 -7.821 9.377 -5.315 1.00 0.00 C ATOM 1536 C LEU A 101 -8.758 10.575 -5.189 1.00 0.00 C ATOM 1537 O LEU A 101 -9.779 10.670 -5.870 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.662 9.718 -6.253 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.502 8.722 -6.275 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.449 9.152 -7.285 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -4.890 8.585 -4.889 1.00 0.00 C ATOM 0 H LEU A 101 -8.200 7.844 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.423 9.144 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.055 9.810 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.270 10.696 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.889 7.749 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.631 8.432 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.895 9.197 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.065 10.136 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.066 7.872 -4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.517 9.554 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.648 8.230 -4.190 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.402 11.514 -4.299 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.196 12.724 -4.065 1.00 0.00 C ATOM 1555 C PRO A 102 -9.147 13.686 -5.247 1.00 0.00 C ATOM 1556 O PRO A 102 -8.524 13.398 -6.268 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.532 13.351 -2.837 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.130 12.848 -2.865 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.198 11.466 -3.453 1.00 0.00 C ATOM 0 HA PRO A 102 -10.253 12.498 -3.926 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.563 14.440 -2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.040 13.056 -1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.494 13.497 -3.467 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.703 12.825 -1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.307 11.233 -4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.281 10.703 -2.679 1.00 0.00 H new ATOM 1687 N ARG A 110 -0.917 15.478 4.658 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.212 14.204 4.579 1.00 0.00 C ATOM 1689 C ARG A 110 -1.127 13.108 4.041 1.00 0.00 C ATOM 1690 O ARG A 110 -2.296 13.024 4.416 1.00 0.00 O ATOM 1691 CB ARG A 110 0.324 13.807 5.956 1.00 0.00 C ATOM 1692 CG ARG A 110 1.592 12.972 5.898 1.00 0.00 C ATOM 1693 CD ARG A 110 2.460 13.191 7.128 1.00 0.00 C ATOM 1694 NE ARG A 110 3.778 12.579 6.984 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.826 12.907 7.731 1.00 0.00 C ATOM 1696 NH1 ARG A 110 4.711 13.837 8.669 1.00 0.00 N ATOM 1697 NH2 ARG A 110 5.993 12.305 7.541 1.00 0.00 N ATOM 0 HA ARG A 110 0.625 14.323 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.520 14.710 6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.445 13.248 6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.331 11.917 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.157 13.229 5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.574 14.260 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.961 12.775 8.003 1.00 0.00 H new ATOM 0 HE ARG A 110 3.900 11.860 6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.816 14.303 8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.518 14.087 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.086 11.589 6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.797 12.558 8.116 1.00 0.00 H new ATOM 1711 N MET A 111 -0.587 12.272 3.161 1.00 0.00 N ATOM 1712 CA MET A 111 -1.356 11.182 2.572 1.00 0.00 C ATOM 1713 C MET A 111 -0.667 9.841 2.811 1.00 0.00 C ATOM 1714 O MET A 111 0.390 9.568 2.245 1.00 0.00 O ATOM 1715 CB MET A 111 -1.542 11.412 1.071 1.00 0.00 C ATOM 1716 CG MET A 111 -2.164 10.229 0.347 1.00 0.00 C ATOM 1717 SD MET A 111 -2.692 10.639 -1.327 1.00 0.00 S ATOM 1718 CE MET A 111 -1.240 11.490 -1.941 1.00 0.00 C ATOM 0 H MET A 111 0.380 12.328 2.840 1.00 0.00 H new ATOM 0 HA MET A 111 -2.334 11.160 3.052 1.00 0.00 H new ATOM 0 HB2 MET A 111 -2.170 12.290 0.922 1.00 0.00 H new ATOM 0 HB3 MET A 111 -0.573 11.633 0.623 1.00 0.00 H new ATOM 0 HG2 MET A 111 -1.443 9.413 0.307 1.00 0.00 H new ATOM 0 HG3 MET A 111 -3.021 9.869 0.916 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.120 11.283 -3.004 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.357 12.563 -1.791 1.00 0.00 H new ATOM 0 HE3 MET A 111 -0.359 11.142 -1.402 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.275 9.010 3.652 1.00 0.00 N ATOM 1729 CA GLU A 112 -0.719 7.699 3.965 1.00 0.00 C ATOM 1730 C GLU A 112 -1.829 6.681 4.209 1.00 0.00 C ATOM 1731 O GLU A 112 -2.953 7.044 4.558 1.00 0.00 O ATOM 1732 CB GLU A 112 0.189 7.786 5.194 1.00 0.00 C ATOM 1733 CG GLU A 112 1.190 8.927 5.132 1.00 0.00 C ATOM 1734 CD GLU A 112 2.428 8.662 5.966 1.00 0.00 C ATOM 1735 OE1 GLU A 112 2.390 8.927 7.186 1.00 0.00 O ATOM 1736 OE2 GLU A 112 3.436 8.190 5.399 1.00 0.00 O ATOM 0 H GLU A 112 -2.152 9.221 4.128 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.130 7.369 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.429 7.904 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.729 6.846 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.483 9.092 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.712 9.844 5.478 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.505 5.406 4.024 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.475 4.335 4.223 1.00 0.00 C ATOM 1745 C PHE A 113 -1.829 3.138 4.916 1.00 0.00 C ATOM 1746 O PHE A 113 -0.621 2.927 4.815 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.070 3.902 2.881 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.228 2.897 2.148 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.154 1.584 2.585 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.510 3.266 1.022 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.380 0.657 1.913 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.734 2.343 0.345 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.669 1.038 0.792 1.00 0.00 C ATOM 0 H PHE A 113 -0.579 5.089 3.737 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.273 4.715 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.060 3.479 3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.203 4.781 2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.708 1.281 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.557 4.286 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.331 -0.363 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.180 2.642 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.063 0.316 0.265 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.644 2.358 5.619 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.153 1.183 6.327 1.00 0.00 C ATOM 1765 C ALA A 114 -3.146 0.029 6.229 1.00 0.00 C ATOM 1766 O ALA A 114 -4.328 0.187 6.531 1.00 0.00 O ATOM 1767 CB ALA A 114 -1.877 1.521 7.784 1.00 0.00 C ATOM 0 H ALA A 114 -3.647 2.519 5.713 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.222 0.869 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.511 0.634 8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.126 2.309 7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.797 1.863 8.259 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.657 -1.132 5.803 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.501 -2.312 5.666 1.00 0.00 C ATOM 1775 C VAL A 115 -4.026 -2.774 7.021 1.00 0.00 C ATOM 1776 O VAL A 115 -3.289 -2.801 8.007 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.738 -3.473 5.001 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.655 -4.671 4.803 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -2.139 -3.027 3.676 1.00 0.00 C ATOM 0 H VAL A 115 -1.681 -1.280 5.547 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.341 -2.028 5.032 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.923 -3.773 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.098 -5.481 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.032 -5.004 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.492 -4.387 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.604 -3.860 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.936 -2.699 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.448 -2.202 3.849 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.303 -3.136 7.062 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.927 -3.595 8.297 1.00 0.00 C ATOM 1791 C TYR A 116 -6.509 -4.995 8.126 1.00 0.00 C ATOM 1792 O TYR A 116 -7.613 -5.162 7.608 1.00 0.00 O ATOM 1793 CB TYR A 116 -7.027 -2.624 8.729 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.148 -3.282 9.500 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.882 -4.082 10.605 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.474 -3.103 9.125 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.904 -4.686 11.312 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.502 -3.703 9.827 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.212 -4.493 10.920 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.232 -5.092 11.622 1.00 0.00 O ATOM 0 H TYR A 116 -5.926 -3.121 6.255 1.00 0.00 H new ATOM 0 HA TYR A 116 -5.159 -3.632 9.070 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.586 -1.839 9.344 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.441 -2.141 7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.859 -4.234 10.916 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.705 -2.484 8.270 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.680 -5.306 12.167 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.527 -3.554 9.521 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.092 -4.854 11.217 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.757 -5.998 8.567 1.00 0.00 N ATOM 1811 CA TYR A 117 -6.196 -7.385 8.462 1.00 0.00 C ATOM 1812 C TYR A 117 -6.742 -7.886 9.795 1.00 0.00 C ATOM 1813 O TYR A 117 -6.024 -7.934 10.793 1.00 0.00 O ATOM 1814 CB TYR A 117 -5.038 -8.274 8.005 1.00 0.00 C ATOM 1815 CG TYR A 117 -5.336 -9.753 8.102 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.512 -10.281 7.582 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.441 -10.624 8.711 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.789 -11.631 7.669 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.709 -11.976 8.801 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.884 -12.475 8.279 1.00 0.00 C ATOM 1821 OH TYR A 117 -6.156 -13.821 8.366 1.00 0.00 O ATOM 0 H TYR A 117 -4.842 -5.877 9.000 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.996 -7.432 7.723 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.788 -8.029 6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.158 -8.049 8.608 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -7.222 -9.624 7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.520 -10.237 9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.709 -12.024 7.262 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.002 -12.639 9.278 1.00 0.00 H new ATOM 0 HH TYR A 117 -7.092 -13.949 8.627 1.00 0.00 H new ATOM 1831 N GLU A 118 -8.018 -8.260 9.802 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.661 -8.758 11.012 1.00 0.00 C ATOM 1833 C GLU A 118 -8.950 -10.252 10.899 1.00 0.00 C ATOM 1834 O GLU A 118 -9.582 -10.702 9.943 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.960 -7.994 11.277 1.00 0.00 C ATOM 1836 CG GLU A 118 -10.321 -7.900 12.750 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.581 -9.257 13.374 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -11.191 -10.113 12.699 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -10.177 -9.462 14.537 1.00 0.00 O ATOM 0 H GLU A 118 -8.626 -8.227 8.984 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.978 -8.600 11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.869 -6.987 10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.775 -8.483 10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.512 -7.406 13.288 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.207 -7.276 12.864 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.483 -11.014 11.881 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.690 -12.458 11.892 1.00 0.00 C ATOM 1848 C CYS A 119 -8.416 -13.036 13.277 1.00 0.00 C ATOM 1849 O CYS A 119 -7.576 -12.527 14.018 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.787 -13.132 10.858 1.00 0.00 C ATOM 1851 SG CYS A 119 -8.471 -14.653 10.160 1.00 0.00 S ATOM 0 H CYS A 119 -7.959 -10.657 12.680 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.732 -12.652 11.636 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.592 -12.429 10.048 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.827 -13.358 11.322 1.00 0.00 H new ATOM 0 HG CYS A 119 -9.690 -14.438 9.762 1.00 0.00 H new ATOM 1857 N ASN A 120 -9.132 -14.102 13.620 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.967 -14.748 14.917 1.00 0.00 C ATOM 1859 C ASN A 120 -9.004 -13.721 16.045 1.00 0.00 C ATOM 1860 O ASN A 120 -8.132 -13.705 16.913 1.00 0.00 O ATOM 1861 CB ASN A 120 -7.649 -15.522 14.961 1.00 0.00 C ATOM 1862 CG ASN A 120 -7.777 -16.915 14.375 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -8.841 -17.532 14.438 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -6.690 -17.418 13.801 1.00 0.00 N ATOM 0 H ASN A 120 -9.832 -14.536 13.018 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.794 -15.444 15.056 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.887 -14.968 14.412 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -7.308 -15.595 15.994 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.716 -18.351 13.390 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.829 -16.871 13.771 1.00 0.00 H new ATOM 1871 N GLY A 121 -10.021 -12.864 16.025 1.00 0.00 N ATOM 1872 CA GLY A 121 -10.153 -11.846 17.051 1.00 0.00 C ATOM 1873 C GLY A 121 -8.880 -11.047 17.243 1.00 0.00 C ATOM 1874 O GLY A 121 -8.530 -10.685 18.366 1.00 0.00 O ATOM 0 H GLY A 121 -10.755 -12.857 15.317 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.966 -11.170 16.785 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -10.427 -12.319 17.994 1.00 0.00 H new ATOM 1878 N GLN A 122 -8.184 -10.773 16.144 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.940 -10.014 16.197 1.00 0.00 C ATOM 1880 C GLN A 122 -6.916 -8.932 15.123 1.00 0.00 C ATOM 1881 O GLN A 122 -7.743 -8.929 14.210 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.741 -10.947 16.024 1.00 0.00 C ATOM 1883 CG GLN A 122 -5.399 -11.737 17.278 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.449 -10.992 18.195 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -3.252 -11.277 18.232 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -4.979 -10.031 18.943 1.00 0.00 N ATOM 0 H GLN A 122 -8.460 -11.065 15.207 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.879 -9.533 17.173 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.947 -11.643 15.211 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.873 -10.358 15.727 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -6.316 -11.966 17.820 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.951 -12.689 16.993 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.977 -9.828 18.881 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -4.388 -9.496 19.580 1.00 0.00 H new ATOM 1895 N THR A 123 -5.964 -8.011 15.237 1.00 0.00 N ATOM 1896 CA THR A 123 -5.833 -6.923 14.277 1.00 0.00 C ATOM 1897 C THR A 123 -4.378 -6.721 13.870 1.00 0.00 C ATOM 1898 O THR A 123 -3.510 -6.506 14.716 1.00 0.00 O ATOM 1899 CB THR A 123 -6.383 -5.602 14.847 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.753 -5.766 15.229 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.267 -4.481 13.825 1.00 0.00 C ATOM 0 H THR A 123 -5.272 -7.998 15.986 1.00 0.00 H new ATOM 0 HA THR A 123 -6.417 -7.203 13.400 1.00 0.00 H new ATOM 0 HB THR A 123 -5.791 -5.336 15.723 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.095 -4.922 15.592 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.662 -3.558 14.251 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.220 -4.339 13.558 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.836 -4.742 12.933 1.00 0.00 H new ATOM 1909 N TYR A 124 -4.118 -6.790 12.569 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.767 -6.616 12.049 1.00 0.00 C ATOM 1911 C TYR A 124 -2.674 -5.366 11.179 1.00 0.00 C ATOM 1912 O TYR A 124 -3.429 -5.207 10.220 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.346 -7.846 11.242 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.543 -9.151 11.979 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.668 -9.542 12.985 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.604 -9.992 11.671 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.843 -10.734 13.661 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.788 -11.186 12.342 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.905 -11.552 13.336 1.00 0.00 C ATOM 1920 OH TYR A 124 -3.084 -12.740 14.008 1.00 0.00 O ATOM 0 H TYR A 124 -4.825 -6.965 11.855 1.00 0.00 H new ATOM 0 HA TYR A 124 -2.092 -6.497 12.896 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.916 -7.873 10.313 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.295 -7.748 10.968 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.837 -8.903 13.243 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.298 -9.708 10.893 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -1.152 -11.024 14.439 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.618 -11.829 12.089 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.878 -13.197 13.659 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.743 -4.483 11.522 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.550 -3.247 10.772 1.00 0.00 C ATOM 1932 C TRP A 125 -0.226 -3.270 10.017 1.00 0.00 C ATOM 1933 O TRP A 125 0.845 -3.295 10.623 1.00 0.00 O ATOM 1934 CB TRP A 125 -1.593 -2.043 11.715 1.00 0.00 C ATOM 1935 CG TRP A 125 -2.963 -1.759 12.253 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -3.465 -2.146 13.462 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -4.005 -1.027 11.599 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -4.758 -1.700 13.599 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -5.112 -1.010 12.470 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -4.111 -0.383 10.363 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.307 -0.375 12.143 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.298 0.247 10.040 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.383 0.248 10.926 1.00 0.00 C ATOM 0 H TRP A 125 -1.111 -4.600 12.314 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.359 -3.161 10.046 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -0.912 -2.218 12.548 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.229 -1.163 11.186 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.926 -2.718 14.202 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.357 -1.857 14.410 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.280 -0.378 9.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -7.144 -0.374 12.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.391 0.747 9.087 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.297 0.750 10.644 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.307 -3.260 8.691 1.00 0.00 N ATOM 1955 CA ASP A 126 0.886 -3.278 7.852 1.00 0.00 C ATOM 1956 C ASP A 126 1.109 -1.920 7.195 1.00 0.00 C ATOM 1957 O ASP A 126 0.461 -1.586 6.203 1.00 0.00 O ATOM 1958 CB ASP A 126 0.767 -4.364 6.781 1.00 0.00 C ATOM 1959 CG ASP A 126 1.547 -4.027 5.526 1.00 0.00 C ATOM 1960 OD1 ASP A 126 2.695 -3.553 5.651 1.00 0.00 O ATOM 1961 OD2 ASP A 126 1.009 -4.237 4.418 1.00 0.00 O ATOM 0 H ASP A 126 -1.186 -3.240 8.174 1.00 0.00 H new ATOM 0 HA ASP A 126 1.743 -3.499 8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.126 -5.310 7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.283 -4.505 6.526 1.00 0.00 H new ATOM 1966 N SER A 127 2.029 -1.141 7.755 1.00 0.00 N ATOM 1967 CA SER A 127 2.333 0.184 7.226 1.00 0.00 C ATOM 1968 C SER A 127 3.723 0.211 6.598 1.00 0.00 C ATOM 1969 O SER A 127 4.733 0.258 7.300 1.00 0.00 O ATOM 1970 CB SER A 127 2.242 1.233 8.336 1.00 0.00 C ATOM 1971 OG SER A 127 3.149 0.944 9.386 1.00 0.00 O ATOM 0 H SER A 127 2.577 -1.404 8.574 1.00 0.00 H new ATOM 0 HA SER A 127 1.599 0.418 6.454 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.457 2.220 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.225 1.265 8.728 1.00 0.00 H new ATOM 0 HG SER A 127 3.985 0.597 9.010 1.00 0.00 H new ATOM 1977 N ASN A 128 3.766 0.181 5.270 1.00 0.00 N ATOM 1978 CA ASN A 128 5.032 0.202 4.545 1.00 0.00 C ATOM 1979 C ASN A 128 6.131 -0.484 5.351 1.00 0.00 C ATOM 1980 O ASN A 128 7.283 -0.050 5.344 1.00 0.00 O ATOM 1981 CB ASN A 128 5.439 1.643 4.230 1.00 0.00 C ATOM 1982 CG ASN A 128 6.269 2.264 5.336 1.00 0.00 C ATOM 1983 OD1 ASN A 128 5.937 2.149 6.516 1.00 0.00 O ATOM 1984 ND2 ASN A 128 7.356 2.929 4.959 1.00 0.00 N ATOM 0 H ASN A 128 2.939 0.142 4.674 1.00 0.00 H new ATOM 0 HA ASN A 128 4.897 -0.343 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 128 6.006 1.662 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 128 4.544 2.244 4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 128 7.953 3.369 5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 128 7.593 2.999 3.969 1.00 0.00 H new ATOM 1991 N ARG A 129 5.767 -1.558 6.043 1.00 0.00 N ATOM 1992 CA ARG A 129 6.721 -2.304 6.854 1.00 0.00 C ATOM 1993 C ARG A 129 7.742 -1.367 7.493 1.00 0.00 C ATOM 1994 O ARG A 129 8.949 -1.562 7.357 1.00 0.00 O ATOM 1995 CB ARG A 129 7.439 -3.352 6.001 1.00 0.00 C ATOM 1996 CG ARG A 129 8.153 -2.768 4.793 1.00 0.00 C ATOM 1997 CD ARG A 129 8.972 -3.823 4.067 1.00 0.00 C ATOM 1998 NE ARG A 129 9.954 -3.228 3.164 1.00 0.00 N ATOM 1999 CZ ARG A 129 9.664 -2.805 1.939 1.00 0.00 C ATOM 2000 NH1 ARG A 129 8.428 -2.912 1.472 1.00 0.00 N ATOM 2001 NH2 ARG A 129 10.612 -2.275 1.177 1.00 0.00 N ATOM 0 H ARG A 129 4.818 -1.931 6.058 1.00 0.00 H new ATOM 0 HA ARG A 129 6.169 -2.807 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 129 8.164 -3.879 6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 129 6.713 -4.091 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 129 7.421 -2.339 4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 129 8.805 -1.955 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 129 9.484 -4.450 4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 129 8.305 -4.473 3.500 1.00 0.00 H new ATOM 0 HE ARG A 129 10.915 -3.132 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 129 7.696 -3.320 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 129 8.208 -2.586 0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 129 11.565 -2.192 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 129 10.388 -1.950 0.236 1.00 0.00 H new ATOM 2015 N GLY A 130 7.248 -0.348 8.189 1.00 0.00 N ATOM 2016 CA GLY A 130 8.130 0.605 8.837 1.00 0.00 C ATOM 2017 C GLY A 130 7.374 1.749 9.482 1.00 0.00 C ATOM 2018 O GLY A 130 7.046 1.698 10.668 1.00 0.00 O ATOM 0 H GLY A 130 6.253 -0.165 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.721 0.091 9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.830 1.004 8.103 1.00 0.00 H new ATOM 2022 N LYS A 131 7.097 2.788 8.701 1.00 0.00 N ATOM 2023 CA LYS A 131 6.375 3.951 9.202 1.00 0.00 C ATOM 2024 C LYS A 131 5.016 4.083 8.521 1.00 0.00 C ATOM 2025 O LYS A 131 3.975 3.977 9.168 1.00 0.00 O ATOM 2026 CB LYS A 131 7.195 5.223 8.975 1.00 0.00 C ATOM 2027 CG LYS A 131 8.508 5.244 9.739 1.00 0.00 C ATOM 2028 CD LYS A 131 8.928 6.663 10.086 1.00 0.00 C ATOM 2029 CE LYS A 131 9.732 6.706 11.377 1.00 0.00 C ATOM 2030 NZ LYS A 131 11.086 6.111 11.206 1.00 0.00 N ATOM 0 H LYS A 131 7.362 2.848 7.718 1.00 0.00 H new ATOM 0 HA LYS A 131 6.215 3.814 10.271 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.402 5.327 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.599 6.087 9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.407 4.659 10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.286 4.769 9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.523 7.077 9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.043 7.291 10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.829 7.739 11.711 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.195 6.168 12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 11.603 6.159 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.994 5.118 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.608 6.640 10.479 1.00 0.00 H new ATOM 2044 N ASN A 132 5.034 4.312 7.212 1.00 0.00 N ATOM 2045 CA ASN A 132 3.802 4.457 6.445 1.00 0.00 C ATOM 2046 C ASN A 132 4.102 4.572 4.953 1.00 0.00 C ATOM 2047 O ASN A 132 5.252 4.749 4.552 1.00 0.00 O ATOM 2048 CB ASN A 132 3.024 5.687 6.916 1.00 0.00 C ATOM 2049 CG ASN A 132 2.134 5.386 8.107 1.00 0.00 C ATOM 2050 OD1 ASN A 132 1.562 4.300 8.210 1.00 0.00 O ATOM 2051 ND2 ASN A 132 2.012 6.349 9.013 1.00 0.00 N ATOM 0 H ASN A 132 5.887 4.401 6.661 1.00 0.00 H new ATOM 0 HA ASN A 132 3.194 3.567 6.609 1.00 0.00 H new ATOM 0 HB2 ASN A 132 3.726 6.478 7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.413 6.064 6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 132 1.426 6.204 9.835 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.504 7.233 8.887 1.00 0.00 H new ATOM 2058 N TYR A 133 3.059 4.472 4.137 1.00 0.00 N ATOM 2059 CA TYR A 133 3.209 4.563 2.689 1.00 0.00 C ATOM 2060 C TYR A 133 3.053 6.004 2.215 1.00 0.00 C ATOM 2061 O TYR A 133 1.938 6.510 2.089 1.00 0.00 O ATOM 2062 CB TYR A 133 2.182 3.670 1.991 1.00 0.00 C ATOM 2063 CG TYR A 133 2.593 2.216 1.920 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.771 1.837 1.288 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.802 1.222 2.482 1.00 0.00 C ATOM 2066 CE1 TYR A 133 4.150 0.510 1.220 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.173 -0.107 2.420 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.348 -0.458 1.787 1.00 0.00 C ATOM 2069 OH TYR A 133 3.721 -1.781 1.722 1.00 0.00 O ATOM 0 H TYR A 133 2.100 4.328 4.453 1.00 0.00 H new ATOM 0 HA TYR A 133 4.211 4.221 2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.230 3.745 2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 133 2.017 4.042 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 133 4.401 2.592 0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.881 1.493 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 133 5.069 0.232 0.726 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.547 -0.867 2.864 1.00 0.00 H new ATOM 0 HH TYR A 133 3.047 -2.333 2.170 1.00 0.00 H new ATOM 2079 N ARG A 134 4.179 6.659 1.952 1.00 0.00 N ATOM 2080 CA ARG A 134 4.168 8.042 1.492 1.00 0.00 C ATOM 2081 C ARG A 134 3.873 8.116 -0.003 1.00 0.00 C ATOM 2082 O ARG A 134 4.701 7.730 -0.829 1.00 0.00 O ATOM 2083 CB ARG A 134 5.511 8.712 1.791 1.00 0.00 C ATOM 2084 CG ARG A 134 5.655 10.093 1.172 1.00 0.00 C ATOM 2085 CD ARG A 134 7.114 10.448 0.934 1.00 0.00 C ATOM 2086 NE ARG A 134 7.769 10.912 2.154 1.00 0.00 N ATOM 2087 CZ ARG A 134 9.038 11.303 2.204 1.00 0.00 C ATOM 2088 NH1 ARG A 134 9.783 11.287 1.107 1.00 0.00 N ATOM 2089 NH2 ARG A 134 9.563 11.713 3.351 1.00 0.00 N ATOM 0 H ARG A 134 5.110 6.254 2.050 1.00 0.00 H new ATOM 0 HA ARG A 134 3.379 8.570 2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.634 8.793 2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 134 6.315 8.074 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 134 5.112 10.128 0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 134 5.201 10.836 1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.641 9.575 0.548 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.179 11.223 0.170 1.00 0.00 H new ATOM 0 HE ARG A 134 7.222 10.937 3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 134 9.382 10.974 0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.757 11.588 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 134 8.992 11.728 4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 134 10.537 12.013 3.388 1.00 0.00 H new ATOM 2103 N ILE A 135 2.688 8.612 -0.344 1.00 0.00 N ATOM 2104 CA ILE A 135 2.285 8.736 -1.739 1.00 0.00 C ATOM 2105 C ILE A 135 2.499 10.157 -2.249 1.00 0.00 C ATOM 2106 O ILE A 135 1.838 11.094 -1.800 1.00 0.00 O ATOM 2107 CB ILE A 135 0.807 8.350 -1.933 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.564 6.917 -1.454 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.408 8.500 -3.394 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -0.898 6.592 -1.239 1.00 0.00 C ATOM 0 H ILE A 135 1.991 8.934 0.327 1.00 0.00 H new ATOM 0 HA ILE A 135 2.910 8.050 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 135 0.190 9.022 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 135 0.979 6.223 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.104 6.758 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.639 8.224 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.548 9.535 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.029 7.849 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -0.995 5.561 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.313 7.262 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.441 6.719 -2.176 1.00 0.00 H new ATOM 2122 N ILE A 136 3.425 10.309 -3.189 1.00 0.00 N ATOM 2123 CA ILE A 136 3.724 11.615 -3.763 1.00 0.00 C ATOM 2124 C ILE A 136 3.232 11.709 -5.203 1.00 0.00 C ATOM 2125 O ILE A 136 2.764 10.725 -5.775 1.00 0.00 O ATOM 2126 CB ILE A 136 5.234 11.913 -3.727 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.009 10.823 -4.471 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.718 12.027 -2.289 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.382 11.263 -4.928 1.00 0.00 C ATOM 0 H ILE A 136 3.982 9.544 -3.570 1.00 0.00 H new ATOM 0 HA ILE A 136 3.202 12.354 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 136 5.413 12.865 -4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.112 9.954 -3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.431 10.505 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.787 12.238 -2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.185 12.835 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.529 11.090 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 136 7.874 10.440 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.286 12.113 -5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 136 7.978 11.553 -4.063 1.00 0.00 H new ATOM 2141 N ARG A 137 3.343 12.899 -5.784 1.00 0.00 N ATOM 2142 CA ARG A 137 2.910 13.121 -7.158 1.00 0.00 C ATOM 2143 C ARG A 137 4.047 12.843 -8.138 1.00 0.00 C ATOM 2144 O ARG A 137 5.210 12.753 -7.745 1.00 0.00 O ATOM 2145 CB ARG A 137 2.413 14.558 -7.333 1.00 0.00 C ATOM 2146 CG ARG A 137 1.363 14.710 -8.421 1.00 0.00 C ATOM 2147 CD ARG A 137 0.504 15.945 -8.197 1.00 0.00 C ATOM 2148 NE ARG A 137 -0.762 15.870 -8.923 1.00 0.00 N ATOM 2149 CZ ARG A 137 -1.493 16.934 -9.237 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -1.086 18.147 -8.891 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -2.633 16.785 -9.898 1.00 0.00 N ATOM 0 H ARG A 137 3.729 13.724 -5.325 1.00 0.00 H new ATOM 0 HA ARG A 137 2.093 12.432 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.998 14.908 -6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.262 15.201 -7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 137 1.852 14.777 -9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 137 0.729 13.824 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.305 16.060 -7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.053 16.831 -8.516 1.00 0.00 H new ATOM 0 HE ARG A 137 -1.103 14.951 -9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -0.210 18.265 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -1.649 18.962 -9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -2.949 15.853 -10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -3.194 17.602 -10.139 1.00 0.00 H new ATOM 2165 N ALA A 138 3.701 12.708 -9.414 1.00 0.00 N ATOM 2166 CA ALA A 138 4.692 12.442 -10.450 1.00 0.00 C ATOM 2167 C ALA A 138 5.506 13.692 -10.765 1.00 0.00 C ATOM 2168 O ALA A 138 6.674 13.604 -11.141 1.00 0.00 O ATOM 2169 CB ALA A 138 4.013 11.920 -11.707 1.00 0.00 C ATOM 0 H ALA A 138 2.742 12.778 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 138 5.376 11.680 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.764 11.726 -12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 138 3.482 10.996 -11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.305 12.664 -12.074 1.00 0.00 H new ATOM 2175 N GLU A 139 4.880 14.855 -10.611 1.00 0.00 N ATOM 2176 CA GLU A 139 5.548 16.123 -10.881 1.00 0.00 C ATOM 2177 C GLU A 139 6.496 16.492 -9.744 1.00 0.00 C ATOM 2178 O GLU A 139 7.509 17.160 -9.957 1.00 0.00 O ATOM 2179 CB GLU A 139 4.516 17.235 -11.081 1.00 0.00 C ATOM 2180 CG GLU A 139 3.537 17.372 -9.927 1.00 0.00 C ATOM 2181 CD GLU A 139 2.535 18.489 -10.142 1.00 0.00 C ATOM 2182 OE1 GLU A 139 2.289 18.848 -11.313 1.00 0.00 O ATOM 2183 OE2 GLU A 139 1.997 19.005 -9.140 1.00 0.00 O ATOM 0 H GLU A 139 3.912 14.945 -10.301 1.00 0.00 H new ATOM 0 HA GLU A 139 6.132 16.010 -11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.037 18.182 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.959 17.042 -11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.003 16.431 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.090 17.557 -9.006 1.00 0.00 H new