USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.0285 X(o=-0.028,f=-0.024) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 98:sc= 0.61 USER MOD Single : A 22 ASN :FLIP amide:sc= 0.855 F(o=-0.51,f=0.86) USER MOD Single : A 23 THR OG1 : rot 41:sc= -3.33! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0.588 (180deg=0.124) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 150:sc= 1.25 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0864 USER MOD Single : A 48 CYS SG : rot -115:sc= 0.056 USER MOD Single : A 51 ASN : amide:sc= 0.0158 X(o=0.016,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.084 X(o=-0.084,f=-0.11) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 11:sc= 0.0221 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 149:sc= -0.485 (180deg=-0.984) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.313 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 162:sc= -0.059 (180deg=-0.305) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -2.13! C(o=-5.3!,f=-2.1!) USER MOD Single : A 100 TYR OH : rot 130:sc= -4.71! USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.106 F(o=-0.67,f=-0.11) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc=-0.00464 X(o=-0.0046,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-6.8!) USER MOD Single : A 109 GLN : amide:sc= -0.0778 X(o=-0.078,f=0) USER MOD Single : A 110 SER OG : rot 58:sc= 0.231 USER MOD Single : A 115 HIS : no HE2:sc= -0.0909 K(o=-0.091,f=-0.59) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.91 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.686 1.369 -15.508 1.00 0.00 N ATOM 168 CA PRO A 14 -2.426 1.186 -14.782 1.00 0.00 C ATOM 169 C PRO A 14 -2.646 0.902 -13.300 1.00 0.00 C ATOM 170 O PRO A 14 -2.129 -0.078 -12.762 1.00 0.00 O ATOM 171 CB PRO A 14 -1.711 2.527 -14.969 1.00 0.00 C ATOM 172 CG PRO A 14 -2.806 3.511 -15.201 1.00 0.00 C ATOM 173 CD PRO A 14 -3.885 2.764 -15.936 1.00 0.00 C ATOM 0 HA PRO A 14 -1.862 0.331 -15.154 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.124 2.789 -14.089 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.023 2.494 -15.813 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.180 3.908 -14.257 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.451 4.359 -15.786 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.878 3.128 -15.671 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.784 2.871 -17.016 1.00 0.00 H new ATOM 181 N LEU A 15 -3.415 1.764 -12.645 1.00 0.00 N ATOM 182 CA LEU A 15 -3.704 1.606 -11.224 1.00 0.00 C ATOM 183 C LEU A 15 -5.208 1.526 -10.980 1.00 0.00 C ATOM 184 O LEU A 15 -5.908 2.538 -10.932 1.00 0.00 O ATOM 185 CB LEU A 15 -3.108 2.768 -10.429 1.00 0.00 C ATOM 186 CG LEU A 15 -1.711 2.539 -9.851 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.750 1.472 -8.767 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.735 2.148 -10.951 1.00 0.00 C ATOM 0 H LEU A 15 -3.850 2.580 -13.075 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.250 0.674 -10.888 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.072 3.644 -11.076 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.785 3.005 -9.608 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.367 3.471 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.747 1.323 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.416 1.792 -7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.115 0.536 -9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.254 1.989 -10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.075 1.229 -11.429 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.684 2.945 -11.693 1.00 0.00 H new ATOM 200 N PRO A 16 -5.718 0.296 -10.820 1.00 0.00 N ATOM 201 CA PRO A 16 -7.143 0.056 -10.575 1.00 0.00 C ATOM 202 C PRO A 16 -7.580 0.524 -9.191 1.00 0.00 C ATOM 203 O PRO A 16 -6.807 0.476 -8.236 1.00 0.00 O ATOM 204 CB PRO A 16 -7.271 -1.465 -10.690 1.00 0.00 C ATOM 205 CG PRO A 16 -5.914 -1.986 -10.361 1.00 0.00 C ATOM 206 CD PRO A 16 -4.942 -0.955 -10.865 1.00 0.00 C ATOM 0 HA PRO A 16 -7.775 0.605 -11.273 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.021 -1.852 -10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.576 -1.762 -11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.803 -2.135 -9.287 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.741 -2.951 -10.836 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.053 -0.899 -10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.604 -1.182 -11.876 1.00 0.00 H new ATOM 214 N ASN A 17 -8.826 0.976 -9.091 1.00 0.00 N ATOM 215 CA ASN A 17 -9.366 1.453 -7.823 1.00 0.00 C ATOM 216 C ASN A 17 -9.480 0.312 -6.817 1.00 0.00 C ATOM 217 O ASN A 17 -9.851 0.524 -5.662 1.00 0.00 O ATOM 218 CB ASN A 17 -10.738 2.097 -8.039 1.00 0.00 C ATOM 219 CG ASN A 17 -11.874 1.108 -7.866 1.00 0.00 C ATOM 220 OD1 ASN A 17 -12.006 0.156 -8.636 1.00 0.00 O ATOM 221 ND2 ASN A 17 -12.702 1.329 -6.851 1.00 0.00 N ATOM 0 H ASN A 17 -9.480 1.022 -9.872 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.681 2.200 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.865 2.919 -7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.782 2.525 -9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.485 0.697 -6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.555 2.131 -6.238 1.00 0.00 H new ATOM 228 N SER A 18 -9.159 -0.897 -7.263 1.00 0.00 N ATOM 229 CA SER A 18 -9.228 -2.073 -6.403 1.00 0.00 C ATOM 230 C SER A 18 -8.108 -2.055 -5.367 1.00 0.00 C ATOM 231 O SER A 18 -8.329 -2.343 -4.191 1.00 0.00 O ATOM 232 CB SER A 18 -9.142 -3.350 -7.241 1.00 0.00 C ATOM 233 OG SER A 18 -7.909 -3.422 -7.936 1.00 0.00 O ATOM 0 H SER A 18 -8.848 -1.089 -8.215 1.00 0.00 H new ATOM 0 HA SER A 18 -10.184 -2.054 -5.880 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.250 -4.221 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.967 -3.378 -7.953 1.00 0.00 H new ATOM 0 HG SER A 18 -7.286 -3.993 -7.439 1.00 0.00 H new ATOM 239 N VAL A 19 -6.903 -1.713 -5.813 1.00 0.00 N ATOM 240 CA VAL A 19 -5.747 -1.655 -4.926 1.00 0.00 C ATOM 241 C VAL A 19 -5.928 -0.584 -3.856 1.00 0.00 C ATOM 242 O VAL A 19 -5.557 -0.779 -2.699 1.00 0.00 O ATOM 243 CB VAL A 19 -4.452 -1.369 -5.709 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.281 -2.369 -6.843 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.456 0.056 -6.241 1.00 0.00 C ATOM 0 H VAL A 19 -6.702 -1.472 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.666 -2.631 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.606 -1.478 -5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.361 -2.151 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.231 -3.378 -6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.129 -2.295 -7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.534 0.241 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.309 0.194 -6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.528 0.755 -5.408 1.00 0.00 H new ATOM 255 N PHE A 20 -6.502 0.547 -4.251 1.00 0.00 N ATOM 256 CA PHE A 20 -6.732 1.651 -3.326 1.00 0.00 C ATOM 257 C PHE A 20 -7.818 1.295 -2.314 1.00 0.00 C ATOM 258 O PHE A 20 -9.010 1.376 -2.611 1.00 0.00 O ATOM 259 CB PHE A 20 -7.130 2.913 -4.094 1.00 0.00 C ATOM 260 CG PHE A 20 -6.141 3.306 -5.154 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.157 2.692 -6.396 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.195 4.288 -4.909 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.249 3.051 -7.375 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.285 4.652 -5.883 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.311 4.032 -7.117 1.00 0.00 C ATOM 0 H PHE A 20 -6.817 0.724 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.804 1.839 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.104 2.755 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.242 3.737 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.888 1.924 -6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.168 4.775 -3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.273 2.566 -8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.554 5.421 -5.680 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.599 4.314 -7.879 1.00 0.00 H new ATOM 275 N VAL A 21 -7.396 0.899 -1.118 1.00 0.00 N ATOM 276 CA VAL A 21 -8.330 0.530 -0.061 1.00 0.00 C ATOM 277 C VAL A 21 -8.536 1.681 0.917 1.00 0.00 C ATOM 278 O VAL A 21 -7.594 2.394 1.259 1.00 0.00 O ATOM 279 CB VAL A 21 -7.841 -0.707 0.715 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.478 -0.442 1.337 1.00 0.00 C ATOM 281 CG2 VAL A 21 -8.854 -1.104 1.779 1.00 0.00 C ATOM 0 H VAL A 21 -6.413 0.825 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.278 0.294 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.740 -1.537 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.148 -1.327 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.759 -0.210 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.549 0.401 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.492 -1.980 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.990 -0.279 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.807 -1.338 1.305 1.00 0.00 H new ATOM 291 N ASN A 22 -9.775 1.857 1.364 1.00 0.00 N ATOM 292 CA ASN A 22 -10.105 2.922 2.304 1.00 0.00 C ATOM 293 C ASN A 22 -9.806 2.495 3.737 1.00 0.00 C ATOM 294 O ASN A 22 -10.369 3.037 4.689 1.00 0.00 O ATOM 295 CB ASN A 22 -11.580 3.308 2.172 1.00 0.00 C ATOM 296 CG ASN A 22 -11.852 4.724 2.642 1.00 0.00 C ATOM 297 OD1 ASN A 22 -12.150 5.613 1.702 1.00 0.00 O flip ATOM 298 ND2 ASN A 22 -11.794 5.015 3.837 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.567 1.276 1.090 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.487 3.787 2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.887 3.209 1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.188 2.613 2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.561 4.299 4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.979 5.972 4.138 1.00 0.00 H new ATOM 305 N THR A 23 -8.914 1.520 3.885 1.00 0.00 N ATOM 306 CA THR A 23 -8.540 1.020 5.201 1.00 0.00 C ATOM 307 C THR A 23 -7.273 1.699 5.708 1.00 0.00 C ATOM 308 O THR A 23 -6.266 1.764 5.002 1.00 0.00 O ATOM 309 CB THR A 23 -8.319 -0.505 5.181 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.504 -1.044 6.494 1.00 0.00 O ATOM 311 CG2 THR A 23 -6.922 -0.842 4.681 1.00 0.00 C ATOM 0 H THR A 23 -8.437 1.061 3.109 1.00 0.00 H new ATOM 0 HA THR A 23 -9.366 1.251 5.873 1.00 0.00 H new ATOM 0 HB THR A 23 -9.048 -0.947 4.502 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.273 -0.611 6.920 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.789 -1.924 4.675 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.794 -0.455 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.181 -0.388 5.339 1.00 0.00 H new ATOM 319 N THR A 24 -7.328 2.204 6.936 1.00 0.00 N ATOM 320 CA THR A 24 -6.184 2.878 7.537 1.00 0.00 C ATOM 321 C THR A 24 -5.530 2.008 8.604 1.00 0.00 C ATOM 322 O THR A 24 -4.914 2.516 9.540 1.00 0.00 O ATOM 323 CB THR A 24 -6.593 4.223 8.168 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.651 4.020 9.111 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.042 5.208 7.099 1.00 0.00 C ATOM 0 H THR A 24 -8.153 2.159 7.534 1.00 0.00 H new ATOM 0 HA THR A 24 -5.469 3.063 6.735 1.00 0.00 H new ATOM 0 HB THR A 24 -5.725 4.638 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.904 4.879 9.509 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.326 6.150 7.568 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.225 5.383 6.399 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.898 4.798 6.563 1.00 0.00 H new ATOM 333 N GLU A 25 -5.668 0.694 8.456 1.00 0.00 N ATOM 334 CA GLU A 25 -5.090 -0.247 9.408 1.00 0.00 C ATOM 335 C GLU A 25 -4.476 -1.443 8.686 1.00 0.00 C ATOM 336 O GLU A 25 -5.066 -1.989 7.755 1.00 0.00 O ATOM 337 CB GLU A 25 -6.155 -0.726 10.397 1.00 0.00 C ATOM 338 CG GLU A 25 -6.778 0.396 11.211 1.00 0.00 C ATOM 339 CD GLU A 25 -7.287 -0.075 12.559 1.00 0.00 C ATOM 340 OE1 GLU A 25 -8.362 -0.710 12.600 1.00 0.00 O ATOM 341 OE2 GLU A 25 -6.609 0.191 13.574 1.00 0.00 O ATOM 0 H GLU A 25 -6.175 0.257 7.686 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.302 0.269 9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.941 -1.245 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.708 -1.452 11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.040 1.184 11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.602 0.834 10.648 1.00 0.00 H new ATOM 348 N SER A 26 -3.286 -1.844 9.124 1.00 0.00 N ATOM 349 CA SER A 26 -2.589 -2.972 8.518 1.00 0.00 C ATOM 350 C SER A 26 -3.327 -4.278 8.793 1.00 0.00 C ATOM 351 O SER A 26 -3.587 -5.062 7.879 1.00 0.00 O ATOM 352 CB SER A 26 -1.157 -3.059 9.051 1.00 0.00 C ATOM 353 OG SER A 26 -0.367 -1.988 8.567 1.00 0.00 O ATOM 0 H SER A 26 -2.785 -1.404 9.896 1.00 0.00 H new ATOM 0 HA SER A 26 -2.559 -2.813 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.170 -3.042 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.711 -4.008 8.752 1.00 0.00 H new ATOM 0 HG SER A 26 0.543 -2.065 8.923 1.00 0.00 H new ATOM 359 N CYS A 27 -3.662 -4.506 10.059 1.00 0.00 N ATOM 360 CA CYS A 27 -4.370 -5.717 10.456 1.00 0.00 C ATOM 361 C CYS A 27 -5.474 -6.054 9.459 1.00 0.00 C ATOM 362 O CYS A 27 -5.702 -7.221 9.142 1.00 0.00 O ATOM 363 CB CYS A 27 -4.963 -5.550 11.856 1.00 0.00 C ATOM 364 SG CYS A 27 -5.599 -7.082 12.576 1.00 0.00 S ATOM 0 H CYS A 27 -3.454 -3.868 10.827 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.654 -6.539 10.468 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.198 -5.141 12.516 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.770 -4.819 11.812 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.077 -6.839 13.760 1.00 0.00 H new ATOM 370 N GLU A 28 -6.156 -5.024 8.969 1.00 0.00 N ATOM 371 CA GLU A 28 -7.238 -5.212 8.010 1.00 0.00 C ATOM 372 C GLU A 28 -6.712 -5.804 6.706 1.00 0.00 C ATOM 373 O GLU A 28 -7.060 -6.925 6.335 1.00 0.00 O ATOM 374 CB GLU A 28 -7.940 -3.881 7.732 1.00 0.00 C ATOM 375 CG GLU A 28 -9.067 -3.988 6.719 1.00 0.00 C ATOM 376 CD GLU A 28 -10.171 -2.977 6.965 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.640 -2.879 8.118 1.00 0.00 O ATOM 378 OE2 GLU A 28 -10.565 -2.284 6.004 1.00 0.00 O ATOM 0 H GLU A 28 -5.979 -4.051 9.220 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.955 -5.909 8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.339 -3.488 8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.206 -3.161 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.664 -3.844 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.486 -4.994 6.752 1.00 0.00 H new ATOM 385 N VAL A 29 -5.871 -5.042 6.013 1.00 0.00 N ATOM 386 CA VAL A 29 -5.296 -5.490 4.751 1.00 0.00 C ATOM 387 C VAL A 29 -5.031 -6.991 4.770 1.00 0.00 C ATOM 388 O VAL A 29 -5.610 -7.743 3.987 1.00 0.00 O ATOM 389 CB VAL A 29 -3.981 -4.751 4.440 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.355 -5.290 3.163 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.225 -3.253 4.333 1.00 0.00 C ATOM 0 H VAL A 29 -5.573 -4.111 6.305 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.024 -5.263 3.973 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.284 -4.925 5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.427 -4.756 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.144 -6.353 3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.045 -5.148 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.285 -2.746 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.939 -3.057 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.626 -2.881 5.276 1.00 0.00 H new ATOM 401 N GLU A 30 -4.151 -7.419 5.670 1.00 0.00 N ATOM 402 CA GLU A 30 -3.809 -8.832 5.790 1.00 0.00 C ATOM 403 C GLU A 30 -5.046 -9.708 5.615 1.00 0.00 C ATOM 404 O GLU A 30 -5.050 -10.641 4.812 1.00 0.00 O ATOM 405 CB GLU A 30 -3.162 -9.109 7.149 1.00 0.00 C ATOM 406 CG GLU A 30 -2.162 -10.252 7.126 1.00 0.00 C ATOM 407 CD GLU A 30 -1.158 -10.173 8.260 1.00 0.00 C ATOM 408 OE1 GLU A 30 -0.589 -9.081 8.472 1.00 0.00 O ATOM 409 OE2 GLU A 30 -0.942 -11.201 8.934 1.00 0.00 O ATOM 0 H GLU A 30 -3.663 -6.809 6.326 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.098 -9.076 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.660 -8.205 7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.943 -9.336 7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.698 -11.199 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.631 -10.246 6.174 1.00 0.00 H new ATOM 416 N ARG A 31 -6.093 -9.401 6.373 1.00 0.00 N ATOM 417 CA ARG A 31 -7.336 -10.161 6.304 1.00 0.00 C ATOM 418 C ARG A 31 -7.982 -10.022 4.929 1.00 0.00 C ATOM 419 O ARG A 31 -8.465 -11.000 4.356 1.00 0.00 O ATOM 420 CB ARG A 31 -8.308 -9.689 7.386 1.00 0.00 C ATOM 421 CG ARG A 31 -9.229 -10.785 7.897 1.00 0.00 C ATOM 422 CD ARG A 31 -8.460 -11.846 8.668 1.00 0.00 C ATOM 423 NE ARG A 31 -8.023 -12.941 7.806 1.00 0.00 N ATOM 424 CZ ARG A 31 -7.590 -14.110 8.265 1.00 0.00 C ATOM 425 NH1 ARG A 31 -7.536 -14.334 9.570 1.00 0.00 N ATOM 426 NH2 ARG A 31 -7.211 -15.057 7.417 1.00 0.00 N ATOM 0 H ARG A 31 -6.106 -8.631 7.042 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.100 -11.212 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.739 -9.285 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.913 -8.874 6.989 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.993 -10.349 8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.746 -11.248 7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.591 -11.390 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.089 -12.242 9.466 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.052 -12.800 6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.827 -13.608 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.203 -15.232 9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.252 -14.888 6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.879 -15.954 7.770 1.00 0.00 H new ATOM 440 N LEU A 32 -7.988 -8.802 4.404 1.00 0.00 N ATOM 441 CA LEU A 32 -8.575 -8.534 3.096 1.00 0.00 C ATOM 442 C LEU A 32 -7.936 -9.409 2.023 1.00 0.00 C ATOM 443 O LEU A 32 -8.630 -10.082 1.261 1.00 0.00 O ATOM 444 CB LEU A 32 -8.408 -7.057 2.732 1.00 0.00 C ATOM 445 CG LEU A 32 -8.923 -6.050 3.761 1.00 0.00 C ATOM 446 CD1 LEU A 32 -8.593 -4.630 3.330 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.422 -6.214 3.964 1.00 0.00 C ATOM 0 H LEU A 32 -7.593 -7.982 4.864 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.638 -8.771 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.349 -6.863 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.921 -6.876 1.788 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.425 -6.244 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.967 -3.927 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.513 -4.520 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.062 -4.423 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.771 -5.489 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.938 -6.048 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.633 -7.222 4.320 1.00 0.00 H new ATOM 459 N PHE A 33 -6.608 -9.396 1.969 1.00 0.00 N ATOM 460 CA PHE A 33 -5.875 -10.190 0.990 1.00 0.00 C ATOM 461 C PHE A 33 -6.328 -11.647 1.021 1.00 0.00 C ATOM 462 O PHE A 33 -6.816 -12.179 0.024 1.00 0.00 O ATOM 463 CB PHE A 33 -4.370 -10.106 1.258 1.00 0.00 C ATOM 464 CG PHE A 33 -3.746 -8.829 0.773 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.512 -7.687 0.606 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.392 -8.771 0.485 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.940 -6.511 0.159 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.813 -7.597 0.038 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.589 -6.466 -0.124 1.00 0.00 C ATOM 0 H PHE A 33 -6.018 -8.844 2.592 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.085 -9.784 0.000 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.194 -10.203 2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.875 -10.949 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.569 -7.716 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.781 -9.653 0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.549 -5.628 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.757 -7.565 -0.184 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.140 -5.547 -0.472 1.00 0.00 H new ATOM 479 N LYS A 34 -6.162 -12.287 2.174 1.00 0.00 N ATOM 480 CA LYS A 34 -6.553 -13.682 2.338 1.00 0.00 C ATOM 481 C LYS A 34 -8.063 -13.844 2.193 1.00 0.00 C ATOM 482 O LYS A 34 -8.548 -14.901 1.791 1.00 0.00 O ATOM 483 CB LYS A 34 -6.103 -14.202 3.705 1.00 0.00 C ATOM 484 CG LYS A 34 -4.598 -14.164 3.904 1.00 0.00 C ATOM 485 CD LYS A 34 -4.234 -13.926 5.360 1.00 0.00 C ATOM 486 CE LYS A 34 -2.788 -13.476 5.507 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.494 -12.274 4.678 1.00 0.00 N ATOM 0 H LYS A 34 -5.759 -11.861 3.009 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.066 -14.264 1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.579 -13.608 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.452 -15.228 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.162 -15.105 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.168 -13.375 3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.896 -13.170 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.391 -14.842 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.581 -13.254 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.123 -14.289 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.525 -11.948 4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.585 -12.516 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.167 -11.517 4.914 1.00 0.00 H new ATOM 501 N ALA A 35 -8.801 -12.789 2.521 1.00 0.00 N ATOM 502 CA ALA A 35 -10.255 -12.813 2.424 1.00 0.00 C ATOM 503 C ALA A 35 -10.707 -12.903 0.970 1.00 0.00 C ATOM 504 O ALA A 35 -11.293 -13.902 0.551 1.00 0.00 O ATOM 505 CB ALA A 35 -10.850 -11.580 3.088 1.00 0.00 C ATOM 0 H ALA A 35 -8.415 -11.906 2.856 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.614 -13.701 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.937 -11.612 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.564 -11.560 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.476 -10.684 2.593 1.00 0.00 H new ATOM 511 N THR A 36 -10.431 -11.852 0.204 1.00 0.00 N ATOM 512 CA THR A 36 -10.811 -11.812 -1.203 1.00 0.00 C ATOM 513 C THR A 36 -10.479 -13.126 -1.900 1.00 0.00 C ATOM 514 O THR A 36 -11.090 -13.476 -2.910 1.00 0.00 O ATOM 515 CB THR A 36 -10.105 -10.659 -1.942 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.601 -10.559 -3.281 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.599 -10.876 -1.969 1.00 0.00 C ATOM 0 H THR A 36 -9.946 -11.018 0.534 1.00 0.00 H new ATOM 0 HA THR A 36 -11.888 -11.649 -1.235 1.00 0.00 H new ATOM 0 HB THR A 36 -10.314 -9.732 -1.407 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.148 -9.823 -3.743 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.122 -10.050 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.220 -10.923 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.375 -11.811 -2.482 1.00 0.00 H new ATOM 525 N SER A 37 -9.508 -13.851 -1.354 1.00 0.00 N ATOM 526 CA SER A 37 -9.093 -15.127 -1.926 1.00 0.00 C ATOM 527 C SER A 37 -10.066 -16.237 -1.540 1.00 0.00 C ATOM 528 O SER A 37 -10.370 -16.451 -0.367 1.00 0.00 O ATOM 529 CB SER A 37 -7.681 -15.485 -1.458 1.00 0.00 C ATOM 530 OG SER A 37 -7.241 -16.697 -2.045 1.00 0.00 O ATOM 0 H SER A 37 -8.994 -13.577 -0.517 1.00 0.00 H new ATOM 0 HA SER A 37 -9.094 -15.028 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.993 -14.680 -1.719 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.667 -15.577 -0.372 1.00 0.00 H new ATOM 0 HG SER A 37 -6.267 -16.674 -2.151 1.00 0.00 H new ATOM 536 N PRO A 38 -10.566 -16.963 -2.552 1.00 0.00 N ATOM 537 CA PRO A 38 -11.511 -18.064 -2.345 1.00 0.00 C ATOM 538 C PRO A 38 -10.860 -19.268 -1.674 1.00 0.00 C ATOM 539 O PRO A 38 -11.507 -20.291 -1.448 1.00 0.00 O ATOM 540 CB PRO A 38 -11.957 -18.420 -3.765 1.00 0.00 C ATOM 541 CG PRO A 38 -10.832 -17.980 -4.637 1.00 0.00 C ATOM 542 CD PRO A 38 -10.246 -16.764 -3.975 1.00 0.00 C ATOM 0 HA PRO A 38 -12.330 -17.779 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.141 -19.490 -3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.884 -17.911 -4.028 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.085 -18.768 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.185 -17.746 -5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.171 -16.696 -4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.686 -15.845 -4.361 1.00 0.00 H new ATOM 550 N ARG A 39 -9.575 -19.141 -1.357 1.00 0.00 N ATOM 551 CA ARG A 39 -8.836 -20.220 -0.712 1.00 0.00 C ATOM 552 C ARG A 39 -8.136 -19.721 0.549 1.00 0.00 C ATOM 553 O ARG A 39 -7.168 -20.322 1.012 1.00 0.00 O ATOM 554 CB ARG A 39 -7.809 -20.812 -1.678 1.00 0.00 C ATOM 555 CG ARG A 39 -8.425 -21.673 -2.769 1.00 0.00 C ATOM 556 CD ARG A 39 -7.586 -21.651 -4.037 1.00 0.00 C ATOM 557 NE ARG A 39 -8.210 -22.406 -5.120 1.00 0.00 N ATOM 558 CZ ARG A 39 -7.825 -22.325 -6.389 1.00 0.00 C ATOM 559 NH1 ARG A 39 -6.823 -21.528 -6.732 1.00 0.00 N ATOM 560 NH2 ARG A 39 -8.443 -23.044 -7.318 1.00 0.00 N ATOM 0 H ARG A 39 -9.024 -18.301 -1.536 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.548 -20.996 -0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.248 -20.000 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.095 -21.412 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.522 -22.699 -2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.431 -21.316 -2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.436 -20.619 -4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.600 -22.066 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.984 -23.030 -4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.345 -20.975 -6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.530 -21.468 -7.707 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.214 -23.659 -7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.147 -22.981 -8.292 1.00 0.00 H new ATOM 574 N GLY A 40 -8.633 -18.617 1.099 1.00 0.00 N ATOM 575 CA GLY A 40 -8.043 -18.056 2.300 1.00 0.00 C ATOM 576 C GLY A 40 -6.535 -17.932 2.202 1.00 0.00 C ATOM 577 O GLY A 40 -5.832 -18.030 3.206 1.00 0.00 O ATOM 0 H GLY A 40 -9.434 -18.101 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.474 -17.072 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.298 -18.684 3.154 1.00 0.00 H new ATOM 581 N GLU A 41 -6.039 -17.718 0.987 1.00 0.00 N ATOM 582 CA GLU A 41 -4.604 -17.583 0.762 1.00 0.00 C ATOM 583 C GLU A 41 -4.325 -16.738 -0.477 1.00 0.00 C ATOM 584 O GLU A 41 -4.657 -17.111 -1.602 1.00 0.00 O ATOM 585 CB GLU A 41 -3.958 -18.962 0.609 1.00 0.00 C ATOM 586 CG GLU A 41 -4.450 -19.733 -0.605 1.00 0.00 C ATOM 587 CD GLU A 41 -4.016 -21.186 -0.588 1.00 0.00 C ATOM 588 OE1 GLU A 41 -4.071 -21.809 0.493 1.00 0.00 O ATOM 589 OE2 GLU A 41 -3.623 -21.699 -1.656 1.00 0.00 O ATOM 0 H GLU A 41 -6.608 -17.635 0.145 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.172 -17.081 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.877 -18.842 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.156 -19.548 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.538 -19.683 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.075 -19.256 -1.510 1.00 0.00 H new ATOM 596 N PRO A 42 -3.701 -15.569 -0.267 1.00 0.00 N ATOM 597 CA PRO A 42 -3.363 -14.646 -1.354 1.00 0.00 C ATOM 598 C PRO A 42 -2.257 -15.187 -2.253 1.00 0.00 C ATOM 599 O PRO A 42 -1.632 -16.201 -1.940 1.00 0.00 O ATOM 600 CB PRO A 42 -2.888 -13.390 -0.619 1.00 0.00 C ATOM 601 CG PRO A 42 -2.405 -13.885 0.701 1.00 0.00 C ATOM 602 CD PRO A 42 -3.276 -15.060 1.048 1.00 0.00 C ATOM 0 HA PRO A 42 -4.210 -14.473 -2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.093 -12.887 -1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.698 -12.670 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.357 -14.179 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.479 -13.107 1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.728 -15.814 1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.129 -14.762 1.658 1.00 0.00 H new ATOM 610 N GLN A 43 -2.020 -14.506 -3.369 1.00 0.00 N ATOM 611 CA GLN A 43 -0.988 -14.920 -4.312 1.00 0.00 C ATOM 612 C GLN A 43 0.307 -14.150 -4.075 1.00 0.00 C ATOM 613 O GLN A 43 0.284 -12.967 -3.737 1.00 0.00 O ATOM 614 CB GLN A 43 -1.466 -14.708 -5.749 1.00 0.00 C ATOM 615 CG GLN A 43 -2.181 -15.913 -6.337 1.00 0.00 C ATOM 616 CD GLN A 43 -2.807 -15.620 -7.686 1.00 0.00 C ATOM 617 OE1 GLN A 43 -2.326 -16.084 -8.720 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.886 -14.845 -7.683 1.00 0.00 N ATOM 0 H GLN A 43 -2.529 -13.665 -3.642 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.792 -15.981 -4.155 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.136 -13.849 -5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.608 -14.463 -6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.473 -16.736 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.956 -16.244 -5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.251 -14.482 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.350 -14.613 -8.561 1.00 0.00 H new ATOM 627 N ASP A 44 1.435 -14.830 -4.254 1.00 0.00 N ATOM 628 CA ASP A 44 2.740 -14.209 -4.060 1.00 0.00 C ATOM 629 C ASP A 44 2.892 -12.976 -4.945 1.00 0.00 C ATOM 630 O ASP A 44 2.911 -13.077 -6.171 1.00 0.00 O ATOM 631 CB ASP A 44 3.855 -15.211 -4.365 1.00 0.00 C ATOM 632 CG ASP A 44 5.230 -14.574 -4.335 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.542 -13.792 -5.257 1.00 0.00 O ATOM 634 OD2 ASP A 44 5.996 -14.858 -3.389 1.00 0.00 O ATOM 0 H ASP A 44 1.471 -15.810 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 44 2.816 -13.898 -3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.818 -16.023 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.684 -15.653 -5.347 1.00 0.00 H new ATOM 639 N GLY A 45 3.000 -11.811 -4.314 1.00 0.00 N ATOM 640 CA GLY A 45 3.148 -10.574 -5.059 1.00 0.00 C ATOM 641 C GLY A 45 1.951 -9.658 -4.905 1.00 0.00 C ATOM 642 O GLY A 45 1.935 -8.549 -5.441 1.00 0.00 O ATOM 0 H GLY A 45 2.988 -11.701 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.045 -10.055 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.292 -10.804 -6.115 1.00 0.00 H new ATOM 646 N LEU A 46 0.944 -10.121 -4.172 1.00 0.00 N ATOM 647 CA LEU A 46 -0.265 -9.335 -3.950 1.00 0.00 C ATOM 648 C LEU A 46 0.067 -7.996 -3.299 1.00 0.00 C ATOM 649 O LEU A 46 0.440 -7.939 -2.127 1.00 0.00 O ATOM 650 CB LEU A 46 -1.247 -10.112 -3.071 1.00 0.00 C ATOM 651 CG LEU A 46 -2.722 -9.736 -3.220 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.221 -10.072 -4.617 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.562 -10.446 -2.167 1.00 0.00 C ATOM 0 H LEU A 46 0.941 -11.036 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.726 -9.142 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.139 -11.174 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.960 -9.972 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.820 -8.661 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.272 -9.797 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.639 -9.518 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.110 -11.141 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.609 -10.167 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.458 -11.525 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.221 -10.155 -1.173 1.00 0.00 H new ATOM 665 N TYR A 47 -0.072 -6.921 -4.067 1.00 0.00 N ATOM 666 CA TYR A 47 0.214 -5.582 -3.566 1.00 0.00 C ATOM 667 C TYR A 47 -1.045 -4.719 -3.567 1.00 0.00 C ATOM 668 O TYR A 47 -2.044 -5.062 -4.200 1.00 0.00 O ATOM 669 CB TYR A 47 1.301 -4.919 -4.412 1.00 0.00 C ATOM 670 CG TYR A 47 0.901 -4.709 -5.855 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.076 -5.714 -6.799 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.348 -3.505 -6.275 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.712 -5.525 -8.118 1.00 0.00 C ATOM 674 CE2 TYR A 47 -0.020 -3.309 -7.592 1.00 0.00 C ATOM 675 CZ TYR A 47 0.165 -4.322 -8.510 1.00 0.00 C ATOM 676 OH TYR A 47 -0.200 -4.131 -9.823 1.00 0.00 O ATOM 0 H TYR A 47 -0.381 -6.951 -5.039 1.00 0.00 H new ATOM 0 HA TYR A 47 0.568 -5.674 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.556 -3.956 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.201 -5.533 -4.379 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.504 -6.658 -6.496 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.204 -2.709 -5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.855 -6.316 -8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.450 -2.368 -7.901 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.570 -3.230 -9.932 1.00 0.00 H new ATOM 686 N CYS A 48 -0.987 -3.599 -2.856 1.00 0.00 N ATOM 687 CA CYS A 48 -2.122 -2.686 -2.774 1.00 0.00 C ATOM 688 C CYS A 48 -1.689 -1.329 -2.228 1.00 0.00 C ATOM 689 O CYS A 48 -0.510 -1.109 -1.949 1.00 0.00 O ATOM 690 CB CYS A 48 -3.218 -3.280 -1.889 1.00 0.00 C ATOM 691 SG CYS A 48 -3.031 -2.904 -0.130 1.00 0.00 S ATOM 0 H CYS A 48 -0.167 -3.301 -2.328 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.516 -2.543 -3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.185 -2.909 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.229 -4.362 -2.019 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.809 -4.003 0.528 1.00 0.00 H new ATOM 697 N ILE A 49 -2.650 -0.423 -2.080 1.00 0.00 N ATOM 698 CA ILE A 49 -2.368 0.912 -1.568 1.00 0.00 C ATOM 699 C ILE A 49 -3.438 1.358 -0.578 1.00 0.00 C ATOM 700 O ILE A 49 -4.556 1.698 -0.967 1.00 0.00 O ATOM 701 CB ILE A 49 -2.277 1.944 -2.708 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.156 1.566 -3.679 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.049 3.338 -2.143 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.237 2.290 -5.005 1.00 0.00 C ATOM 0 H ILE A 49 -3.630 -0.589 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.405 0.859 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.220 1.945 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.194 1.783 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.188 0.491 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.987 4.056 -2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.878 3.605 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.119 3.353 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.412 1.974 -5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.183 2.054 -5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.174 3.365 -4.837 1.00 0.00 H new ATOM 716 N ARG A 50 -3.087 1.356 0.704 1.00 0.00 N ATOM 717 CA ARG A 50 -4.017 1.762 1.751 1.00 0.00 C ATOM 718 C ARG A 50 -3.759 3.203 2.179 1.00 0.00 C ATOM 719 O ARG A 50 -2.833 3.850 1.691 1.00 0.00 O ATOM 720 CB ARG A 50 -3.896 0.830 2.959 1.00 0.00 C ATOM 721 CG ARG A 50 -2.608 1.015 3.744 1.00 0.00 C ATOM 722 CD ARG A 50 -2.464 -0.035 4.834 1.00 0.00 C ATOM 723 NE ARG A 50 -1.351 0.259 5.733 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.418 1.146 6.720 1.00 0.00 C ATOM 725 NH1 ARG A 50 -2.538 1.822 6.934 1.00 0.00 N ATOM 726 NH2 ARG A 50 -0.363 1.357 7.496 1.00 0.00 N ATOM 0 H ARG A 50 -2.166 1.078 1.042 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.028 1.696 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.744 0.998 3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.958 -0.203 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.756 0.957 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.593 2.009 4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.389 -0.091 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.313 -1.013 4.377 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.474 -0.244 5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.352 1.662 6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.586 2.502 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.500 0.838 7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.415 2.038 8.253 1.00 0.00 H new ATOM 740 N ASN A 51 -4.586 3.701 3.093 1.00 0.00 N ATOM 741 CA ASN A 51 -4.448 5.066 3.586 1.00 0.00 C ATOM 742 C ASN A 51 -3.525 5.116 4.800 1.00 0.00 C ATOM 743 O ASN A 51 -3.418 4.147 5.552 1.00 0.00 O ATOM 744 CB ASN A 51 -5.819 5.640 3.950 1.00 0.00 C ATOM 745 CG ASN A 51 -6.487 6.331 2.776 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.448 7.556 2.659 1.00 0.00 O ATOM 747 ND2 ASN A 51 -7.104 5.546 1.901 1.00 0.00 N ATOM 0 H ASN A 51 -5.359 3.179 3.507 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.008 5.669 2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.462 4.837 4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.707 6.350 4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.571 5.954 1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.111 4.535 2.039 1.00 0.00 H new ATOM 830 N LYS A 58 -0.521 7.905 1.478 1.00 0.00 N ATOM 831 CA LYS A 58 -0.771 6.507 1.145 1.00 0.00 C ATOM 832 C LYS A 58 0.440 5.643 1.483 1.00 0.00 C ATOM 833 O LYS A 58 1.575 6.121 1.484 1.00 0.00 O ATOM 834 CB LYS A 58 -1.112 6.368 -0.340 1.00 0.00 C ATOM 835 CG LYS A 58 -2.417 7.039 -0.730 1.00 0.00 C ATOM 836 CD LYS A 58 -3.610 6.136 -0.462 1.00 0.00 C ATOM 837 CE LYS A 58 -4.767 6.448 -1.399 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.585 7.592 -0.909 1.00 0.00 N ATOM 0 HA LYS A 58 -1.618 6.163 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.302 6.796 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.168 5.309 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.530 7.968 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.390 7.303 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.313 5.094 -0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.935 6.257 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.379 6.678 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.400 5.566 -1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.363 7.773 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.977 7.363 0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.987 8.440 -0.836 1.00 0.00 H new ATOM 852 N VAL A 59 0.191 4.369 1.767 1.00 0.00 N ATOM 853 CA VAL A 59 1.261 3.438 2.104 1.00 0.00 C ATOM 854 C VAL A 59 1.135 2.144 1.307 1.00 0.00 C ATOM 855 O VAL A 59 0.211 1.358 1.520 1.00 0.00 O ATOM 856 CB VAL A 59 1.262 3.103 3.607 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.368 2.111 3.933 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.411 4.371 4.434 1.00 0.00 C ATOM 0 H VAL A 59 -0.742 3.958 1.770 1.00 0.00 H new ATOM 0 HA VAL A 59 2.200 3.930 1.848 1.00 0.00 H new ATOM 0 HB VAL A 59 0.308 2.641 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.353 1.887 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.212 1.193 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.333 2.542 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.410 4.116 5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.350 4.863 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.580 5.044 4.222 1.00 0.00 H new ATOM 868 N LEU A 60 2.069 1.929 0.387 1.00 0.00 N ATOM 869 CA LEU A 60 2.064 0.729 -0.443 1.00 0.00 C ATOM 870 C LEU A 60 2.372 -0.511 0.390 1.00 0.00 C ATOM 871 O LEU A 60 3.441 -0.619 0.990 1.00 0.00 O ATOM 872 CB LEU A 60 3.084 0.864 -1.575 1.00 0.00 C ATOM 873 CG LEU A 60 3.501 -0.438 -2.261 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.514 -0.802 -3.359 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.909 -0.316 -2.825 1.00 0.00 C ATOM 0 H LEU A 60 2.839 2.570 0.197 1.00 0.00 H new ATOM 0 HA LEU A 60 1.068 0.617 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.672 1.534 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.978 1.344 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 60 3.497 -1.236 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.827 -1.731 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.521 -0.932 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.485 -0.005 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.189 -1.251 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.940 0.494 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.608 -0.103 -2.016 1.00 0.00 H new ATOM 887 N VAL A 61 1.427 -1.446 0.420 1.00 0.00 N ATOM 888 CA VAL A 61 1.599 -2.681 1.177 1.00 0.00 C ATOM 889 C VAL A 61 1.626 -3.892 0.252 1.00 0.00 C ATOM 890 O VAL A 61 0.669 -4.151 -0.478 1.00 0.00 O ATOM 891 CB VAL A 61 0.475 -2.864 2.214 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.539 -4.253 2.831 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.560 -1.790 3.287 1.00 0.00 C ATOM 0 H VAL A 61 0.536 -1.372 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 61 2.554 -2.604 1.698 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.484 -2.762 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.263 -4.364 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.424 -5.004 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.501 -4.388 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.242 -1.935 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.523 -1.857 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.460 -0.807 2.827 1.00 0.00 H new ATOM 903 N VAL A 62 2.728 -4.634 0.289 1.00 0.00 N ATOM 904 CA VAL A 62 2.880 -5.821 -0.545 1.00 0.00 C ATOM 905 C VAL A 62 2.832 -7.092 0.295 1.00 0.00 C ATOM 906 O VAL A 62 3.188 -7.083 1.474 1.00 0.00 O ATOM 907 CB VAL A 62 4.203 -5.788 -1.332 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.217 -6.873 -2.398 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.419 -4.416 -1.954 1.00 0.00 C ATOM 0 H VAL A 62 3.529 -4.434 0.888 1.00 0.00 H new ATOM 0 HA VAL A 62 2.048 -5.823 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 62 5.022 -5.981 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.160 -6.834 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.111 -7.849 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.390 -6.714 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.359 -4.411 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.597 -4.191 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.456 -3.662 -1.168 1.00 0.00 H new ATOM 919 N TRP A 63 2.391 -8.184 -0.319 1.00 0.00 N ATOM 920 CA TRP A 63 2.298 -9.464 0.373 1.00 0.00 C ATOM 921 C TRP A 63 3.554 -10.298 0.147 1.00 0.00 C ATOM 922 O TRP A 63 4.062 -10.381 -0.971 1.00 0.00 O ATOM 923 CB TRP A 63 1.066 -10.236 -0.104 1.00 0.00 C ATOM 924 CG TRP A 63 1.006 -11.640 0.419 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.151 -12.790 -0.303 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.782 -12.040 1.775 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.031 -13.881 0.523 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.805 -13.448 1.803 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.566 -11.347 2.969 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.619 -14.173 2.977 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.382 -12.067 4.134 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.410 -13.468 4.131 1.00 0.00 C ATOM 0 H TRP A 63 2.092 -8.209 -1.294 1.00 0.00 H new ATOM 0 HA TRP A 63 2.204 -9.266 1.441 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.168 -9.701 0.207 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.061 -10.261 -1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.333 -12.835 -1.367 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.099 -14.856 0.231 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.543 -10.267 2.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.639 -15.253 2.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 0.214 -11.541 5.062 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.264 -14.002 5.058 1.00 0.00 H new ATOM 943 N ASP A 64 4.051 -10.914 1.214 1.00 0.00 N ATOM 944 CA ASP A 64 5.248 -11.742 1.131 1.00 0.00 C ATOM 945 C ASP A 64 4.904 -13.215 1.331 1.00 0.00 C ATOM 946 O ASP A 64 5.070 -13.758 2.423 1.00 0.00 O ATOM 947 CB ASP A 64 6.274 -11.299 2.175 1.00 0.00 C ATOM 948 CG ASP A 64 6.239 -9.804 2.424 1.00 0.00 C ATOM 949 OD1 ASP A 64 5.626 -9.082 1.610 1.00 0.00 O ATOM 950 OD2 ASP A 64 6.824 -9.357 3.432 1.00 0.00 O ATOM 0 H ASP A 64 3.643 -10.855 2.147 1.00 0.00 H new ATOM 0 HA ASP A 64 5.677 -11.619 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.086 -11.825 3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.272 -11.586 1.844 1.00 0.00 H new ATOM 955 N GLU A 65 4.423 -13.855 0.269 1.00 0.00 N ATOM 956 CA GLU A 65 4.054 -15.264 0.330 1.00 0.00 C ATOM 957 C GLU A 65 5.218 -16.110 0.837 1.00 0.00 C ATOM 958 O GLU A 65 5.018 -17.156 1.456 1.00 0.00 O ATOM 959 CB GLU A 65 3.613 -15.758 -1.050 1.00 0.00 C ATOM 960 CG GLU A 65 3.068 -17.177 -1.042 1.00 0.00 C ATOM 961 CD GLU A 65 1.570 -17.225 -0.813 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.146 -17.153 0.359 1.00 0.00 O ATOM 963 OE2 GLU A 65 0.822 -17.334 -1.807 1.00 0.00 O ATOM 0 H GLU A 65 4.280 -13.420 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 65 3.223 -15.366 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.848 -15.086 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.461 -15.707 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.302 -17.658 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.570 -17.751 -0.262 1.00 0.00 H new ATOM 970 N THR A 66 6.437 -15.650 0.571 1.00 0.00 N ATOM 971 CA THR A 66 7.634 -16.364 0.998 1.00 0.00 C ATOM 972 C THR A 66 7.721 -16.429 2.518 1.00 0.00 C ATOM 973 O THR A 66 8.248 -17.391 3.078 1.00 0.00 O ATOM 974 CB THR A 66 8.910 -15.698 0.449 1.00 0.00 C ATOM 975 OG1 THR A 66 9.013 -14.357 0.940 1.00 0.00 O ATOM 976 CG2 THR A 66 8.905 -15.689 -1.072 1.00 0.00 C ATOM 0 H THR A 66 6.621 -14.786 0.062 1.00 0.00 H new ATOM 0 HA THR A 66 7.560 -17.375 0.598 1.00 0.00 H new ATOM 0 HB THR A 66 9.770 -16.275 0.789 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.828 -13.941 0.588 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.816 -15.214 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.857 -16.713 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.038 -15.133 -1.430 1.00 0.00 H new ATOM 984 N SER A 67 7.202 -15.401 3.181 1.00 0.00 N ATOM 985 CA SER A 67 7.225 -15.341 4.638 1.00 0.00 C ATOM 986 C SER A 67 5.813 -15.187 5.198 1.00 0.00 C ATOM 987 O SER A 67 5.631 -14.898 6.379 1.00 0.00 O ATOM 988 CB SER A 67 8.101 -14.178 5.108 1.00 0.00 C ATOM 989 OG SER A 67 9.459 -14.572 5.210 1.00 0.00 O ATOM 0 H SER A 67 6.760 -14.598 2.733 1.00 0.00 H new ATOM 0 HA SER A 67 7.645 -16.276 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.012 -13.346 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.749 -13.821 6.076 1.00 0.00 H new ATOM 0 HG SER A 67 9.999 -13.811 5.510 1.00 0.00 H new ATOM 995 N ASN A 68 4.819 -15.383 4.338 1.00 0.00 N ATOM 996 CA ASN A 68 3.423 -15.266 4.745 1.00 0.00 C ATOM 997 C ASN A 68 3.218 -14.049 5.642 1.00 0.00 C ATOM 998 O ASN A 68 2.637 -14.151 6.723 1.00 0.00 O ATOM 999 CB ASN A 68 2.975 -16.534 5.476 1.00 0.00 C ATOM 1000 CG ASN A 68 1.465 -16.661 5.541 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.833 -16.206 6.494 1.00 0.00 O ATOM 1002 ND2 ASN A 68 0.880 -17.283 4.524 1.00 0.00 N ATOM 0 H ASN A 68 4.954 -15.623 3.356 1.00 0.00 H new ATOM 0 HA ASN A 68 2.818 -15.139 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.389 -17.407 4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.380 -16.529 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.133 -17.399 4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.444 -17.644 3.755 1.00 0.00 H new ATOM 1009 N LYS A 69 3.699 -12.898 5.187 1.00 0.00 N ATOM 1010 CA LYS A 69 3.568 -11.660 5.945 1.00 0.00 C ATOM 1011 C LYS A 69 3.315 -10.476 5.016 1.00 0.00 C ATOM 1012 O LYS A 69 3.162 -10.646 3.807 1.00 0.00 O ATOM 1013 CB LYS A 69 4.830 -11.409 6.775 1.00 0.00 C ATOM 1014 CG LYS A 69 6.107 -11.399 5.952 1.00 0.00 C ATOM 1015 CD LYS A 69 7.260 -10.776 6.720 1.00 0.00 C ATOM 1016 CE LYS A 69 7.654 -11.626 7.919 1.00 0.00 C ATOM 1017 NZ LYS A 69 9.101 -11.491 8.242 1.00 0.00 N ATOM 0 H LYS A 69 4.184 -12.797 4.295 1.00 0.00 H new ATOM 0 HA LYS A 69 2.714 -11.763 6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.732 -10.453 7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.909 -12.178 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.366 -12.419 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.942 -10.844 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.118 -10.658 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.978 -9.778 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.060 -11.332 8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.423 -12.672 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.330 -12.085 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.669 -11.796 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.316 -10.498 8.462 1.00 0.00 H new ATOM 1031 N VAL A 70 3.274 -9.278 5.590 1.00 0.00 N ATOM 1032 CA VAL A 70 3.042 -8.066 4.812 1.00 0.00 C ATOM 1033 C VAL A 70 4.051 -6.981 5.172 1.00 0.00 C ATOM 1034 O VAL A 70 4.475 -6.870 6.323 1.00 0.00 O ATOM 1035 CB VAL A 70 1.618 -7.522 5.033 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.585 -8.606 4.769 1.00 0.00 C ATOM 1037 CG2 VAL A 70 1.473 -6.967 6.442 1.00 0.00 C ATOM 0 H VAL A 70 3.398 -9.120 6.590 1.00 0.00 H new ATOM 0 HA VAL A 70 3.161 -8.335 3.762 1.00 0.00 H new ATOM 0 HB VAL A 70 1.444 -6.710 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.415 -8.203 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.675 -8.951 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.753 -9.442 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.461 -6.587 6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.666 -7.758 7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.188 -6.158 6.590 1.00 0.00 H new ATOM 1047 N ARG A 71 4.431 -6.182 4.181 1.00 0.00 N ATOM 1048 CA ARG A 71 5.391 -5.105 4.392 1.00 0.00 C ATOM 1049 C ARG A 71 4.691 -3.749 4.411 1.00 0.00 C ATOM 1050 O ARG A 71 3.480 -3.662 4.212 1.00 0.00 O ATOM 1051 CB ARG A 71 6.460 -5.124 3.298 1.00 0.00 C ATOM 1052 CG ARG A 71 7.228 -6.434 3.220 1.00 0.00 C ATOM 1053 CD ARG A 71 7.908 -6.761 4.541 1.00 0.00 C ATOM 1054 NE ARG A 71 8.730 -5.654 5.022 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.017 -5.455 6.304 1.00 0.00 C ATOM 1056 NH1 ARG A 71 8.552 -6.285 7.227 1.00 0.00 N ATOM 1057 NH2 ARG A 71 9.772 -4.425 6.664 1.00 0.00 N ATOM 0 H ARG A 71 4.089 -6.260 3.223 1.00 0.00 H new ATOM 0 HA ARG A 71 5.868 -5.262 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.986 -4.932 2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.163 -4.310 3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.547 -7.241 2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.976 -6.372 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.152 -7.002 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.530 -7.648 4.419 1.00 0.00 H new ATOM 0 HE ARG A 71 9.104 -4.998 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.972 -7.079 6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.774 -6.130 8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.133 -3.785 5.956 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.992 -4.273 7.648 1.00 0.00 H new ATOM 1071 N ASN A 72 5.463 -2.694 4.652 1.00 0.00 N ATOM 1072 CA ASN A 72 4.917 -1.343 4.698 1.00 0.00 C ATOM 1073 C ASN A 72 5.803 -0.372 3.923 1.00 0.00 C ATOM 1074 O ASN A 72 6.935 -0.096 4.320 1.00 0.00 O ATOM 1075 CB ASN A 72 4.777 -0.876 6.149 1.00 0.00 C ATOM 1076 CG ASN A 72 3.674 -1.609 6.888 1.00 0.00 C ATOM 1077 OD1 ASN A 72 2.556 -1.109 7.011 1.00 0.00 O ATOM 1078 ND2 ASN A 72 3.986 -2.800 7.385 1.00 0.00 N ATOM 0 H ASN A 72 6.468 -2.749 4.818 1.00 0.00 H new ATOM 0 HA ASN A 72 3.932 -1.360 4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.723 -1.028 6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.572 0.195 6.165 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.286 -3.340 7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.926 -3.175 7.259 1.00 0.00 H new ATOM 1085 N TYR A 73 5.278 0.144 2.817 1.00 0.00 N ATOM 1086 CA TYR A 73 6.021 1.083 1.985 1.00 0.00 C ATOM 1087 C TYR A 73 5.321 2.437 1.934 1.00 0.00 C ATOM 1088 O TYR A 73 4.446 2.665 1.098 1.00 0.00 O ATOM 1089 CB TYR A 73 6.182 0.525 0.569 1.00 0.00 C ATOM 1090 CG TYR A 73 6.930 -0.787 0.517 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.315 -0.824 0.617 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.252 -1.991 0.367 1.00 0.00 C ATOM 1093 CE1 TYR A 73 9.003 -2.021 0.569 1.00 0.00 C ATOM 1094 CE2 TYR A 73 6.931 -3.192 0.320 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.307 -3.202 0.420 1.00 0.00 C ATOM 1096 OH TYR A 73 8.988 -4.397 0.373 1.00 0.00 O ATOM 0 H TYR A 73 4.341 -0.072 2.476 1.00 0.00 H new ATOM 0 HA TYR A 73 7.007 1.221 2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.195 0.389 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.707 1.258 -0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.863 0.099 0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.175 -1.987 0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.080 -2.032 0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.388 -4.119 0.206 1.00 0.00 H new ATOM 0 HH TYR A 73 9.922 -4.252 0.631 1.00 0.00 H new ATOM 1106 N ARG A 74 5.714 3.333 2.834 1.00 0.00 N ATOM 1107 CA ARG A 74 5.125 4.665 2.893 1.00 0.00 C ATOM 1108 C ARG A 74 5.313 5.402 1.570 1.00 0.00 C ATOM 1109 O ARG A 74 6.393 5.372 0.979 1.00 0.00 O ATOM 1110 CB ARG A 74 5.750 5.473 4.032 1.00 0.00 C ATOM 1111 CG ARG A 74 4.799 6.477 4.660 1.00 0.00 C ATOM 1112 CD ARG A 74 4.738 7.766 3.856 1.00 0.00 C ATOM 1113 NE ARG A 74 4.138 8.859 4.616 1.00 0.00 N ATOM 1114 CZ ARG A 74 3.705 9.987 4.065 1.00 0.00 C ATOM 1115 NH1 ARG A 74 3.805 10.170 2.755 1.00 0.00 N ATOM 1116 NH2 ARG A 74 3.170 10.935 4.823 1.00 0.00 N ATOM 0 H ARG A 74 6.438 3.160 3.532 1.00 0.00 H new ATOM 0 HA ARG A 74 4.057 4.554 3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.101 4.787 4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.625 6.002 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.802 6.042 4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.121 6.697 5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.745 8.049 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.162 7.598 2.946 1.00 0.00 H new ATOM 0 HE ARG A 74 4.046 8.750 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.215 9.443 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.472 11.037 2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.091 10.798 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.838 11.801 4.398 1.00 0.00 H new ATOM 1130 N ILE A 75 4.256 6.063 1.111 1.00 0.00 N ATOM 1131 CA ILE A 75 4.305 6.807 -0.141 1.00 0.00 C ATOM 1132 C ILE A 75 4.281 8.311 0.112 1.00 0.00 C ATOM 1133 O ILE A 75 3.285 8.856 0.588 1.00 0.00 O ATOM 1134 CB ILE A 75 3.130 6.435 -1.064 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.125 4.930 -1.338 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.212 7.216 -2.368 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.826 4.427 -1.929 1.00 0.00 C ATOM 0 H ILE A 75 3.355 6.098 1.588 1.00 0.00 H new ATOM 0 HA ILE A 75 5.241 6.538 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 75 2.198 6.698 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.941 4.690 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.321 4.399 -0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.375 6.942 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.172 8.284 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.149 6.982 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.895 3.352 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.008 4.635 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.638 4.931 -2.877 1.00 0.00 H new ATOM 1149 N PHE A 76 5.385 8.977 -0.211 1.00 0.00 N ATOM 1150 CA PHE A 76 5.491 10.419 -0.020 1.00 0.00 C ATOM 1151 C PHE A 76 5.194 11.163 -1.318 1.00 0.00 C ATOM 1152 O PHE A 76 5.375 10.624 -2.409 1.00 0.00 O ATOM 1153 CB PHE A 76 6.888 10.786 0.484 1.00 0.00 C ATOM 1154 CG PHE A 76 7.264 10.097 1.764 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.660 8.769 1.761 1.00 0.00 C ATOM 1156 CD2 PHE A 76 7.223 10.777 2.971 1.00 0.00 C ATOM 1157 CE1 PHE A 76 8.006 8.132 2.938 1.00 0.00 C ATOM 1158 CE2 PHE A 76 7.568 10.145 4.151 1.00 0.00 C ATOM 1159 CZ PHE A 76 7.961 8.821 4.134 1.00 0.00 C ATOM 0 H PHE A 76 6.218 8.541 -0.606 1.00 0.00 H new ATOM 0 HA PHE A 76 4.753 10.717 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.620 10.534 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.940 11.865 0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.699 8.226 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.918 11.813 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.311 7.096 2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.530 10.686 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.233 8.325 5.054 1.00 0.00 H new ATOM 1169 N GLU A 77 4.737 12.405 -1.190 1.00 0.00 N ATOM 1170 CA GLU A 77 4.414 13.223 -2.353 1.00 0.00 C ATOM 1171 C GLU A 77 5.381 14.396 -2.480 1.00 0.00 C ATOM 1172 O GLU A 77 5.334 15.342 -1.693 1.00 0.00 O ATOM 1173 CB GLU A 77 2.977 13.740 -2.257 1.00 0.00 C ATOM 1174 CG GLU A 77 2.400 14.187 -3.590 1.00 0.00 C ATOM 1175 CD GLU A 77 1.244 15.154 -3.431 1.00 0.00 C ATOM 1176 OE1 GLU A 77 0.369 14.897 -2.577 1.00 0.00 O ATOM 1177 OE2 GLU A 77 1.213 16.168 -4.159 1.00 0.00 O ATOM 0 H GLU A 77 4.582 12.866 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 77 4.510 12.599 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.345 12.955 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.947 14.577 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.185 14.659 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.063 13.313 -4.147 1.00 0.00 H new ATOM 1184 N LYS A 78 6.259 14.327 -3.474 1.00 0.00 N ATOM 1185 CA LYS A 78 7.238 15.382 -3.706 1.00 0.00 C ATOM 1186 C LYS A 78 7.406 15.651 -5.198 1.00 0.00 C ATOM 1187 O LYS A 78 7.513 14.721 -5.998 1.00 0.00 O ATOM 1188 CB LYS A 78 8.587 14.999 -3.092 1.00 0.00 C ATOM 1189 CG LYS A 78 9.719 15.935 -3.477 1.00 0.00 C ATOM 1190 CD LYS A 78 11.070 15.245 -3.382 1.00 0.00 C ATOM 1191 CE LYS A 78 12.156 16.207 -2.927 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.484 15.858 -3.505 1.00 0.00 N ATOM 0 H LYS A 78 6.313 13.550 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 78 6.873 16.292 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.492 14.985 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.843 13.986 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.564 16.296 -4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.709 16.808 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.005 14.411 -2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.336 14.828 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.888 17.222 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.219 16.195 -1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.197 16.537 -3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.752 14.899 -3.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.431 15.894 -4.543 1.00 0.00 H new ATOM 1206 N ASP A 79 7.429 16.928 -5.565 1.00 0.00 N ATOM 1207 CA ASP A 79 7.586 17.319 -6.961 1.00 0.00 C ATOM 1208 C ASP A 79 6.507 16.678 -7.830 1.00 0.00 C ATOM 1209 O ASP A 79 6.742 16.363 -8.996 1.00 0.00 O ATOM 1210 CB ASP A 79 8.972 16.921 -7.472 1.00 0.00 C ATOM 1211 CG ASP A 79 9.403 17.739 -8.673 1.00 0.00 C ATOM 1212 OD1 ASP A 79 9.004 17.389 -9.804 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.138 18.730 -8.483 1.00 0.00 O ATOM 0 H ASP A 79 7.341 17.709 -4.915 1.00 0.00 H new ATOM 0 HA ASP A 79 7.482 18.402 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.701 17.045 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.968 15.864 -7.738 1.00 0.00 H new ATOM 1218 N SER A 80 5.325 16.489 -7.253 1.00 0.00 N ATOM 1219 CA SER A 80 4.212 15.881 -7.972 1.00 0.00 C ATOM 1220 C SER A 80 4.544 14.448 -8.377 1.00 0.00 C ATOM 1221 O SER A 80 4.061 13.950 -9.394 1.00 0.00 O ATOM 1222 CB SER A 80 3.868 16.707 -9.213 1.00 0.00 C ATOM 1223 OG SER A 80 3.057 17.820 -8.877 1.00 0.00 O ATOM 0 H SER A 80 5.113 16.748 -6.289 1.00 0.00 H new ATOM 0 HA SER A 80 3.349 15.861 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.785 17.052 -9.689 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.349 16.080 -9.938 1.00 0.00 H new ATOM 0 HG SER A 80 2.853 18.332 -9.687 1.00 0.00 H new ATOM 1229 N LYS A 81 5.372 13.790 -7.573 1.00 0.00 N ATOM 1230 CA LYS A 81 5.769 12.413 -7.845 1.00 0.00 C ATOM 1231 C LYS A 81 5.863 11.609 -6.552 1.00 0.00 C ATOM 1232 O LYS A 81 6.355 12.103 -5.537 1.00 0.00 O ATOM 1233 CB LYS A 81 7.113 12.384 -8.575 1.00 0.00 C ATOM 1234 CG LYS A 81 7.170 13.305 -9.782 1.00 0.00 C ATOM 1235 CD LYS A 81 8.121 12.777 -10.842 1.00 0.00 C ATOM 1236 CE LYS A 81 8.343 13.796 -11.950 1.00 0.00 C ATOM 1237 NZ LYS A 81 8.716 15.132 -11.408 1.00 0.00 N ATOM 0 H LYS A 81 5.781 14.188 -6.728 1.00 0.00 H new ATOM 0 HA LYS A 81 5.008 11.959 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.902 12.664 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.320 11.363 -8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.172 13.411 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.489 14.299 -9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.076 12.524 -10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.719 11.857 -11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.129 13.442 -12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.436 13.887 -12.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.339 15.619 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.857 15.698 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.214 15.013 -10.503 1.00 0.00 H new ATOM 1251 N PHE A 82 5.391 10.368 -6.597 1.00 0.00 N ATOM 1252 CA PHE A 82 5.423 9.495 -5.429 1.00 0.00 C ATOM 1253 C PHE A 82 6.760 8.767 -5.331 1.00 0.00 C ATOM 1254 O PHE A 82 7.234 8.181 -6.305 1.00 0.00 O ATOM 1255 CB PHE A 82 4.280 8.481 -5.493 1.00 0.00 C ATOM 1256 CG PHE A 82 2.969 9.080 -5.917 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.227 9.849 -5.035 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.481 8.875 -7.197 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.020 10.401 -5.423 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.275 9.425 -7.590 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.544 10.189 -6.702 1.00 0.00 C ATOM 0 H PHE A 82 4.982 9.944 -7.429 1.00 0.00 H new ATOM 0 HA PHE A 82 5.301 10.114 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.549 7.686 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.159 8.020 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.595 10.019 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.049 8.279 -7.896 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.450 10.998 -4.726 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.905 9.257 -8.591 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.398 10.620 -7.007 1.00 0.00 H new ATOM 1271 N TYR A 83 7.364 8.807 -4.148 1.00 0.00 N ATOM 1272 CA TYR A 83 8.647 8.154 -3.922 1.00 0.00 C ATOM 1273 C TYR A 83 8.665 7.438 -2.575 1.00 0.00 C ATOM 1274 O TYR A 83 7.873 7.747 -1.684 1.00 0.00 O ATOM 1275 CB TYR A 83 9.782 9.178 -3.983 1.00 0.00 C ATOM 1276 CG TYR A 83 9.869 10.059 -2.757 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.513 9.621 -1.607 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.306 11.329 -2.749 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.594 10.422 -0.484 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.383 12.137 -1.632 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.028 11.679 -0.502 1.00 0.00 C ATOM 1282 OH TYR A 83 10.106 12.481 0.614 1.00 0.00 O ATOM 0 H TYR A 83 6.985 9.285 -3.331 1.00 0.00 H new ATOM 0 HA TYR A 83 8.792 7.413 -4.708 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.728 8.652 -4.110 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.646 9.807 -4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.958 8.637 -1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.799 11.691 -3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.098 10.066 0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.941 13.122 -1.643 1.00 0.00 H new ATOM 0 HH TYR A 83 9.658 13.334 0.436 1.00 0.00 H new ATOM 1292 N LEU A 84 9.574 6.480 -2.434 1.00 0.00 N ATOM 1293 CA LEU A 84 9.697 5.718 -1.196 1.00 0.00 C ATOM 1294 C LEU A 84 11.080 5.902 -0.578 1.00 0.00 C ATOM 1295 O LEU A 84 11.234 5.867 0.642 1.00 0.00 O ATOM 1296 CB LEU A 84 9.437 4.234 -1.458 1.00 0.00 C ATOM 1297 CG LEU A 84 8.270 3.912 -2.393 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.119 2.408 -2.560 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.980 4.525 -1.867 1.00 0.00 C ATOM 0 H LEU A 84 10.237 6.212 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 84 8.952 6.092 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.343 3.795 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.257 3.743 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 84 8.482 4.346 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.284 2.198 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.035 1.995 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.930 1.951 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.161 4.286 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.762 4.122 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.092 5.607 -1.801 1.00 0.00 H new ATOM 1311 N GLU A 85 12.081 6.101 -1.430 1.00 0.00 N ATOM 1312 CA GLU A 85 13.450 6.292 -0.967 1.00 0.00 C ATOM 1313 C GLU A 85 13.822 7.772 -0.963 1.00 0.00 C ATOM 1314 O GLU A 85 14.587 8.229 -0.116 1.00 0.00 O ATOM 1315 CB GLU A 85 14.425 5.513 -1.853 1.00 0.00 C ATOM 1316 CG GLU A 85 14.253 5.789 -3.337 1.00 0.00 C ATOM 1317 CD GLU A 85 13.103 5.011 -3.946 1.00 0.00 C ATOM 1318 OE1 GLU A 85 13.283 3.807 -4.225 1.00 0.00 O ATOM 1319 OE2 GLU A 85 12.023 5.606 -4.144 1.00 0.00 O ATOM 0 H GLU A 85 11.969 6.134 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 85 13.517 5.915 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.445 5.762 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.293 4.446 -1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.085 6.855 -3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.175 5.535 -3.859 1.00 0.00 H new ATOM 1326 N GLY A 86 13.273 8.517 -1.919 1.00 0.00 N ATOM 1327 CA GLY A 86 13.558 9.937 -2.008 1.00 0.00 C ATOM 1328 C GLY A 86 13.909 10.370 -3.418 1.00 0.00 C ATOM 1329 O GLY A 86 13.061 10.345 -4.310 1.00 0.00 O ATOM 0 H GLY A 86 12.636 8.162 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.691 10.501 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.384 10.181 -1.340 1.00 0.00 H new ATOM 1333 N GLU A 87 15.160 10.770 -3.619 1.00 0.00 N ATOM 1334 CA GLU A 87 15.619 11.212 -4.931 1.00 0.00 C ATOM 1335 C GLU A 87 14.930 10.426 -6.042 1.00 0.00 C ATOM 1336 O GLU A 87 14.652 10.961 -7.116 1.00 0.00 O ATOM 1337 CB GLU A 87 17.137 11.055 -5.045 1.00 0.00 C ATOM 1338 CG GLU A 87 17.579 9.636 -5.364 1.00 0.00 C ATOM 1339 CD GLU A 87 17.681 9.378 -6.854 1.00 0.00 C ATOM 1340 OE1 GLU A 87 16.950 10.037 -7.623 1.00 0.00 O ATOM 1341 OE2 GLU A 87 18.493 8.516 -7.252 1.00 0.00 O ATOM 0 H GLU A 87 15.874 10.797 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 87 15.361 12.265 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.506 11.725 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.598 11.368 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.547 9.448 -4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 87 16.872 8.932 -4.925 1.00 0.00 H new ATOM 1348 N VAL A 88 14.657 9.153 -5.777 1.00 0.00 N ATOM 1349 CA VAL A 88 14.000 8.292 -6.753 1.00 0.00 C ATOM 1350 C VAL A 88 12.484 8.350 -6.604 1.00 0.00 C ATOM 1351 O VAL A 88 11.914 7.742 -5.697 1.00 0.00 O ATOM 1352 CB VAL A 88 14.463 6.829 -6.613 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.847 5.968 -7.705 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.982 6.746 -6.650 1.00 0.00 C ATOM 0 H VAL A 88 14.881 8.695 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 88 14.280 8.661 -7.740 1.00 0.00 H new ATOM 0 HB VAL A 88 14.124 6.449 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.185 4.938 -7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.760 6.004 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.153 6.344 -8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.292 5.706 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.345 7.143 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.398 7.329 -5.829 1.00 0.00 H new ATOM 1364 N LEU A 89 11.835 9.084 -7.501 1.00 0.00 N ATOM 1365 CA LEU A 89 10.383 9.221 -7.471 1.00 0.00 C ATOM 1366 C LEU A 89 9.758 8.684 -8.755 1.00 0.00 C ATOM 1367 O LEU A 89 10.449 8.127 -9.608 1.00 0.00 O ATOM 1368 CB LEU A 89 9.994 10.688 -7.276 1.00 0.00 C ATOM 1369 CG LEU A 89 10.994 11.551 -6.506 1.00 0.00 C ATOM 1370 CD1 LEU A 89 11.954 12.238 -7.465 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.265 12.577 -5.651 1.00 0.00 C ATOM 0 H LEU A 89 12.291 9.593 -8.258 1.00 0.00 H new ATOM 0 HA LEU A 89 10.005 8.636 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.839 11.135 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.037 10.723 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 89 11.572 10.904 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.659 12.848 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.500 11.486 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.392 12.873 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.992 13.182 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.661 13.221 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.619 12.064 -4.939 1.00 0.00 H new ATOM 1383 N PHE A 90 8.447 8.856 -8.886 1.00 0.00 N ATOM 1384 CA PHE A 90 7.729 8.390 -10.067 1.00 0.00 C ATOM 1385 C PHE A 90 6.537 9.293 -10.370 1.00 0.00 C ATOM 1386 O PHE A 90 5.594 9.381 -9.584 1.00 0.00 O ATOM 1387 CB PHE A 90 7.254 6.950 -9.864 1.00 0.00 C ATOM 1388 CG PHE A 90 8.372 5.979 -9.613 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.840 5.759 -8.328 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.954 5.286 -10.662 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.870 4.866 -8.094 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.984 4.392 -10.435 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.441 4.181 -9.149 1.00 0.00 C ATOM 0 H PHE A 90 7.860 9.315 -8.189 1.00 0.00 H new ATOM 0 HA PHE A 90 8.413 8.424 -10.915 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.562 6.920 -9.023 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.698 6.632 -10.746 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.396 6.291 -7.500 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.599 5.446 -11.669 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.227 4.704 -7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.430 3.860 -11.262 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.244 3.481 -8.968 1.00 0.00 H new ATOM 1403 N VAL A 91 6.587 9.963 -11.517 1.00 0.00 N ATOM 1404 CA VAL A 91 5.513 10.859 -11.927 1.00 0.00 C ATOM 1405 C VAL A 91 4.165 10.378 -11.399 1.00 0.00 C ATOM 1406 O VAL A 91 3.322 11.181 -10.998 1.00 0.00 O ATOM 1407 CB VAL A 91 5.437 10.981 -13.460 1.00 0.00 C ATOM 1408 CG1 VAL A 91 6.771 11.444 -14.026 1.00 0.00 C ATOM 1409 CG2 VAL A 91 5.017 9.657 -14.080 1.00 0.00 C ATOM 0 H VAL A 91 7.361 9.902 -12.179 1.00 0.00 H new ATOM 0 HA VAL A 91 5.739 11.838 -11.503 1.00 0.00 H new ATOM 0 HB VAL A 91 4.684 11.728 -13.710 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.698 11.524 -15.111 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.026 12.417 -13.606 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.546 10.723 -13.767 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.969 9.762 -15.164 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.745 8.887 -13.822 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.036 9.372 -13.699 1.00 0.00 H new ATOM 1419 N SER A 92 3.970 9.064 -11.402 1.00 0.00 N ATOM 1420 CA SER A 92 2.723 8.475 -10.927 1.00 0.00 C ATOM 1421 C SER A 92 2.941 7.037 -10.468 1.00 0.00 C ATOM 1422 O SER A 92 3.812 6.334 -10.982 1.00 0.00 O ATOM 1423 CB SER A 92 1.663 8.515 -12.029 1.00 0.00 C ATOM 1424 OG SER A 92 2.162 7.969 -13.238 1.00 0.00 O ATOM 0 H SER A 92 4.659 8.386 -11.728 1.00 0.00 H new ATOM 0 HA SER A 92 2.375 9.061 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.782 7.957 -11.711 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.346 9.544 -12.195 1.00 0.00 H new ATOM 0 HG SER A 92 1.465 8.005 -13.926 1.00 0.00 H new ATOM 1430 N VAL A 93 2.144 6.605 -9.496 1.00 0.00 N ATOM 1431 CA VAL A 93 2.248 5.250 -8.967 1.00 0.00 C ATOM 1432 C VAL A 93 2.523 4.245 -10.080 1.00 0.00 C ATOM 1433 O VAL A 93 3.388 3.380 -9.950 1.00 0.00 O ATOM 1434 CB VAL A 93 0.963 4.838 -8.224 1.00 0.00 C ATOM 1435 CG1 VAL A 93 1.106 3.437 -7.649 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.636 5.842 -7.129 1.00 0.00 C ATOM 0 H VAL A 93 1.419 7.174 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 93 3.082 5.247 -8.265 1.00 0.00 H new ATOM 0 HB VAL A 93 0.138 4.831 -8.936 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.189 3.162 -7.128 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.290 2.729 -8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.942 3.414 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.275 5.535 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.459 5.884 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.489 6.827 -7.571 1.00 0.00 H new ATOM 1446 N GLY A 94 1.779 4.366 -11.176 1.00 0.00 N ATOM 1447 CA GLY A 94 1.958 3.462 -12.297 1.00 0.00 C ATOM 1448 C GLY A 94 3.419 3.224 -12.623 1.00 0.00 C ATOM 1449 O GLY A 94 3.921 2.109 -12.476 1.00 0.00 O ATOM 0 H GLY A 94 1.056 5.074 -11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.480 2.509 -12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.455 3.871 -13.173 1.00 0.00 H new ATOM 1453 N SER A 95 4.104 4.273 -13.068 1.00 0.00 N ATOM 1454 CA SER A 95 5.515 4.171 -13.420 1.00 0.00 C ATOM 1455 C SER A 95 6.289 3.411 -12.348 1.00 0.00 C ATOM 1456 O SER A 95 7.083 2.521 -12.654 1.00 0.00 O ATOM 1457 CB SER A 95 6.117 5.565 -13.609 1.00 0.00 C ATOM 1458 OG SER A 95 7.163 5.544 -14.564 1.00 0.00 O ATOM 0 H SER A 95 3.704 5.203 -13.193 1.00 0.00 H new ATOM 0 HA SER A 95 5.591 3.620 -14.357 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.341 6.259 -13.931 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.498 5.932 -12.656 1.00 0.00 H new ATOM 0 HG SER A 95 7.530 6.447 -14.668 1.00 0.00 H new ATOM 1464 N MET A 96 6.052 3.768 -11.090 1.00 0.00 N ATOM 1465 CA MET A 96 6.726 3.119 -9.972 1.00 0.00 C ATOM 1466 C MET A 96 6.538 1.607 -10.027 1.00 0.00 C ATOM 1467 O MET A 96 7.508 0.849 -10.014 1.00 0.00 O ATOM 1468 CB MET A 96 6.195 3.663 -8.644 1.00 0.00 C ATOM 1469 CG MET A 96 7.017 3.233 -7.439 1.00 0.00 C ATOM 1470 SD MET A 96 6.559 4.116 -5.935 1.00 0.00 S ATOM 1471 CE MET A 96 4.832 3.665 -5.789 1.00 0.00 C ATOM 0 H MET A 96 5.398 4.503 -10.820 1.00 0.00 H new ATOM 0 HA MET A 96 7.791 3.337 -10.046 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.174 4.752 -8.689 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.166 3.329 -8.509 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.889 2.162 -7.280 1.00 0.00 H new ATOM 0 HG3 MET A 96 8.074 3.401 -7.647 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.491 3.855 -4.771 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.241 4.259 -6.486 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.712 2.607 -6.020 1.00 0.00 H new ATOM 1481 N VAL A 97 5.283 1.173 -10.087 1.00 0.00 N ATOM 1482 CA VAL A 97 4.967 -0.249 -10.145 1.00 0.00 C ATOM 1483 C VAL A 97 5.742 -0.939 -11.262 1.00 0.00 C ATOM 1484 O VAL A 97 6.298 -2.020 -11.069 1.00 0.00 O ATOM 1485 CB VAL A 97 3.460 -0.482 -10.361 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.138 -1.968 -10.320 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.650 0.278 -9.322 1.00 0.00 C ATOM 0 H VAL A 97 4.468 1.786 -10.097 1.00 0.00 H new ATOM 0 HA VAL A 97 5.259 -0.677 -9.186 1.00 0.00 H new ATOM 0 HB VAL A 97 3.188 -0.104 -11.347 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.069 -2.113 -10.474 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.691 -2.482 -11.106 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.423 -2.375 -9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.587 0.102 -9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.922 -0.067 -8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.859 1.344 -9.406 1.00 0.00 H new ATOM 1497 N GLU A 98 5.775 -0.306 -12.431 1.00 0.00 N ATOM 1498 CA GLU A 98 6.482 -0.860 -13.579 1.00 0.00 C ATOM 1499 C GLU A 98 7.987 -0.890 -13.329 1.00 0.00 C ATOM 1500 O GLU A 98 8.696 -1.756 -13.842 1.00 0.00 O ATOM 1501 CB GLU A 98 6.180 -0.041 -14.836 1.00 0.00 C ATOM 1502 CG GLU A 98 4.808 0.613 -14.821 1.00 0.00 C ATOM 1503 CD GLU A 98 4.221 0.770 -16.210 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.809 1.515 -17.021 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.175 0.147 -16.486 1.00 0.00 O ATOM 0 H GLU A 98 5.321 0.590 -12.607 1.00 0.00 H new ATOM 0 HA GLU A 98 6.135 -1.883 -13.727 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.940 0.732 -14.947 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.255 -0.690 -15.709 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.131 0.015 -14.210 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.882 1.593 -14.349 1.00 0.00 H new ATOM 1512 N HIS A 99 8.469 0.063 -12.536 1.00 0.00 N ATOM 1513 CA HIS A 99 9.889 0.146 -12.217 1.00 0.00 C ATOM 1514 C HIS A 99 10.298 -0.972 -11.263 1.00 0.00 C ATOM 1515 O HIS A 99 11.306 -1.646 -11.477 1.00 0.00 O ATOM 1516 CB HIS A 99 10.216 1.505 -11.598 1.00 0.00 C ATOM 1517 CG HIS A 99 11.396 1.476 -10.676 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.590 0.823 -9.507 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.556 2.181 -10.917 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.851 1.140 -9.067 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.414 1.961 -9.936 1.00 0.00 N flip ATOM 0 H HIS A 99 7.896 0.788 -12.103 1.00 0.00 H new ATOM 0 HA HIS A 99 10.451 0.033 -13.144 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.407 2.222 -12.396 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.345 1.864 -11.049 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.736 2.814 -11.773 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.309 0.777 -8.158 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.351 2.357 -9.862 1.00 0.00 H new ATOM 1530 N TYR A 100 9.511 -1.163 -10.211 1.00 0.00 N ATOM 1531 CA TYR A 100 9.793 -2.197 -9.222 1.00 0.00 C ATOM 1532 C TYR A 100 9.722 -3.585 -9.851 1.00 0.00 C ATOM 1533 O TYR A 100 10.449 -4.497 -9.455 1.00 0.00 O ATOM 1534 CB TYR A 100 8.806 -2.101 -8.057 1.00 0.00 C ATOM 1535 CG TYR A 100 9.060 -0.924 -7.144 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.351 -0.588 -6.754 1.00 0.00 C ATOM 1537 CD2 TYR A 100 8.010 -0.148 -6.669 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.588 0.487 -5.918 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.238 0.929 -5.835 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.528 1.243 -5.462 1.00 0.00 C ATOM 1541 OH TYR A 100 9.759 2.314 -4.630 1.00 0.00 O ATOM 0 H TYR A 100 8.672 -0.615 -10.020 1.00 0.00 H new ATOM 0 HA TYR A 100 10.804 -2.039 -8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.794 -2.030 -8.455 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.855 -3.020 -7.473 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.183 -1.177 -7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.998 -0.391 -6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.597 0.734 -5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.410 1.523 -5.477 1.00 0.00 H new ATOM 0 HH TYR A 100 9.292 3.103 -4.975 1.00 0.00 H new ATOM 1551 N HIS A 101 8.840 -3.738 -10.834 1.00 0.00 N ATOM 1552 CA HIS A 101 8.674 -5.015 -11.520 1.00 0.00 C ATOM 1553 C HIS A 101 10.020 -5.703 -11.720 1.00 0.00 C ATOM 1554 O HIS A 101 10.101 -6.931 -11.772 1.00 0.00 O ATOM 1555 CB HIS A 101 7.988 -4.806 -12.870 1.00 0.00 C ATOM 1556 CG HIS A 101 6.494 -4.884 -12.801 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.649 -4.781 -11.749 1.00 0.00 N flip ATOM 1558 CD2 HIS A 101 5.699 -5.094 -13.909 1.00 0.00 C flip ATOM 1559 CE1 HIS A 101 4.373 -4.928 -12.234 1.00 0.00 C flip ATOM 1560 NE2 HIS A 101 4.431 -5.115 -13.541 1.00 0.00 N flip ATOM 0 H HIS A 101 8.230 -2.994 -11.173 1.00 0.00 H new ATOM 0 HA HIS A 101 8.048 -5.656 -10.898 1.00 0.00 H new ATOM 0 HB2 HIS A 101 8.275 -3.832 -13.267 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.351 -5.556 -13.573 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.058 -5.221 -14.920 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.469 -4.896 -11.644 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.632 -5.252 -14.160 1.00 0.00 H new ATOM 1569 N THR A 102 11.077 -4.904 -11.834 1.00 0.00 N ATOM 1570 CA THR A 102 12.420 -5.436 -12.031 1.00 0.00 C ATOM 1571 C THR A 102 13.321 -5.105 -10.847 1.00 0.00 C ATOM 1572 O THR A 102 14.341 -5.760 -10.629 1.00 0.00 O ATOM 1573 CB THR A 102 13.059 -4.884 -13.319 1.00 0.00 C ATOM 1574 OG1 THR A 102 13.204 -3.462 -13.224 1.00 0.00 O ATOM 1575 CG2 THR A 102 12.214 -5.233 -14.535 1.00 0.00 C ATOM 0 H THR A 102 11.029 -3.886 -11.793 1.00 0.00 H new ATOM 0 HA THR A 102 12.322 -6.518 -12.118 1.00 0.00 H new ATOM 0 HB THR A 102 14.041 -5.342 -13.436 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.612 -3.119 -14.046 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.685 -4.833 -15.433 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.131 -6.316 -14.621 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.220 -4.800 -14.424 1.00 0.00 H new ATOM 1583 N HIS A 103 12.939 -4.085 -10.085 1.00 0.00 N ATOM 1584 CA HIS A 103 13.714 -3.668 -8.921 1.00 0.00 C ATOM 1585 C HIS A 103 12.976 -4.004 -7.629 1.00 0.00 C ATOM 1586 O HIS A 103 12.207 -3.193 -7.112 1.00 0.00 O ATOM 1587 CB HIS A 103 14.000 -2.168 -8.984 1.00 0.00 C ATOM 1588 CG HIS A 103 15.224 -1.824 -9.776 1.00 0.00 C ATOM 1589 ND1 HIS A 103 15.997 -0.710 -9.522 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.809 -2.455 -10.821 1.00 0.00 C ATOM 1591 CE1 HIS A 103 17.003 -0.671 -10.377 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.912 -1.719 -11.176 1.00 0.00 N ATOM 0 H HIS A 103 12.098 -3.532 -10.252 1.00 0.00 H new ATOM 0 HA HIS A 103 14.659 -4.211 -8.930 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.140 -1.661 -9.421 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.114 -1.785 -7.970 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.471 -3.368 -11.289 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.770 0.089 -10.416 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.557 -1.945 -11.934 1.00 0.00 H new ATOM 1601 N VAL A 104 13.214 -5.205 -7.111 1.00 0.00 N ATOM 1602 CA VAL A 104 12.573 -5.648 -5.879 1.00 0.00 C ATOM 1603 C VAL A 104 12.449 -4.502 -4.881 1.00 0.00 C ATOM 1604 O VAL A 104 13.319 -3.632 -4.807 1.00 0.00 O ATOM 1605 CB VAL A 104 13.353 -6.803 -5.224 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.851 -6.574 -5.349 1.00 0.00 C ATOM 1607 CG2 VAL A 104 12.949 -6.958 -3.766 1.00 0.00 C ATOM 0 H VAL A 104 13.847 -5.889 -7.526 1.00 0.00 H new ATOM 0 HA VAL A 104 11.577 -6.000 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 104 13.106 -7.727 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.386 -7.400 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.124 -6.516 -6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.119 -5.641 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.510 -7.779 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.165 -6.035 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.882 -7.172 -3.705 1.00 0.00 H new ATOM 1617 N LEU A 105 11.364 -4.506 -4.115 1.00 0.00 N ATOM 1618 CA LEU A 105 11.126 -3.467 -3.120 1.00 0.00 C ATOM 1619 C LEU A 105 12.123 -3.575 -1.970 1.00 0.00 C ATOM 1620 O LEU A 105 12.690 -4.636 -1.706 1.00 0.00 O ATOM 1621 CB LEU A 105 9.697 -3.565 -2.582 1.00 0.00 C ATOM 1622 CG LEU A 105 8.613 -3.883 -3.612 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.299 -4.210 -2.920 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.435 -2.719 -4.576 1.00 0.00 C ATOM 0 H LEU A 105 10.635 -5.218 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 105 11.260 -2.499 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.673 -4.334 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.446 -2.620 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 105 8.927 -4.757 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.539 -4.434 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.435 -5.075 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 105 6.980 -3.356 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.660 -2.963 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.144 -1.828 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.374 -2.531 -5.097 1.00 0.00 H new ATOM 1636 N PRO A 106 12.341 -2.453 -1.268 1.00 0.00 N ATOM 1637 CA PRO A 106 13.268 -2.397 -0.133 1.00 0.00 C ATOM 1638 C PRO A 106 12.751 -3.170 1.075 1.00 0.00 C ATOM 1639 O PRO A 106 11.582 -3.552 1.127 1.00 0.00 O ATOM 1640 CB PRO A 106 13.351 -0.902 0.183 1.00 0.00 C ATOM 1641 CG PRO A 106 12.067 -0.337 -0.320 1.00 0.00 C ATOM 1642 CD PRO A 106 11.700 -1.153 -1.528 1.00 0.00 C ATOM 0 HA PRO A 106 14.231 -2.850 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.467 -0.729 1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.207 -0.440 -0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.290 -0.396 0.442 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.179 0.716 -0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.620 -1.251 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.070 -0.699 -2.447 1.00 0.00 H new ATOM 1650 N SER A 107 13.630 -3.397 2.046 1.00 0.00 N ATOM 1651 CA SER A 107 13.263 -4.127 3.254 1.00 0.00 C ATOM 1652 C SER A 107 12.911 -5.575 2.927 1.00 0.00 C ATOM 1653 O SER A 107 12.157 -6.223 3.655 1.00 0.00 O ATOM 1654 CB SER A 107 12.081 -3.447 3.948 1.00 0.00 C ATOM 1655 OG SER A 107 12.527 -2.496 4.898 1.00 0.00 O ATOM 0 H SER A 107 14.601 -3.086 2.020 1.00 0.00 H new ATOM 0 HA SER A 107 14.121 -4.122 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.452 -2.956 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.464 -4.198 4.442 1.00 0.00 H new ATOM 0 HG SER A 107 11.753 -2.074 5.327 1.00 0.00 H new ATOM 1661 N HIS A 108 13.461 -6.078 1.826 1.00 0.00 N ATOM 1662 CA HIS A 108 13.206 -7.450 1.402 1.00 0.00 C ATOM 1663 C HIS A 108 14.346 -7.970 0.531 1.00 0.00 C ATOM 1664 O HIS A 108 15.352 -7.288 0.339 1.00 0.00 O ATOM 1665 CB HIS A 108 11.885 -7.532 0.635 1.00 0.00 C ATOM 1666 CG HIS A 108 11.116 -8.789 0.900 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.236 -9.922 0.122 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.215 -9.090 1.864 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.440 -10.864 0.595 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.809 -10.385 1.652 1.00 0.00 N ATOM 0 H HIS A 108 14.086 -5.556 1.212 1.00 0.00 H new ATOM 0 HA HIS A 108 13.139 -8.073 2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.266 -6.675 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.089 -7.459 -0.433 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.878 -8.434 2.653 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.325 -11.857 0.187 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.131 -10.894 2.219 1.00 0.00 H new ATOM 1679 N GLN A 109 14.180 -9.181 0.009 1.00 0.00 N ATOM 1680 CA GLN A 109 15.197 -9.792 -0.839 1.00 0.00 C ATOM 1681 C GLN A 109 14.701 -9.922 -2.275 1.00 0.00 C ATOM 1682 O GLN A 109 15.316 -9.398 -3.204 1.00 0.00 O ATOM 1683 CB GLN A 109 15.585 -11.168 -0.295 1.00 0.00 C ATOM 1684 CG GLN A 109 14.406 -12.114 -0.134 1.00 0.00 C ATOM 1685 CD GLN A 109 14.674 -13.214 0.874 1.00 0.00 C ATOM 1686 OE1 GLN A 109 14.705 -14.395 0.528 1.00 0.00 O ATOM 1687 NE2 GLN A 109 14.870 -12.831 2.131 1.00 0.00 N ATOM 0 H GLN A 109 13.352 -9.758 0.158 1.00 0.00 H new ATOM 0 HA GLN A 109 16.075 -9.146 -0.834 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.315 -11.622 -0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.074 -11.043 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.529 -11.546 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.169 -12.561 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.836 -11.841 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.055 -13.527 2.853 1.00 0.00 H new ATOM 1696 N SER A 110 13.585 -10.623 -2.450 1.00 0.00 N ATOM 1697 CA SER A 110 13.009 -10.825 -3.774 1.00 0.00 C ATOM 1698 C SER A 110 11.501 -10.597 -3.751 1.00 0.00 C ATOM 1699 O SER A 110 10.723 -11.468 -4.144 1.00 0.00 O ATOM 1700 CB SER A 110 13.316 -12.237 -4.277 1.00 0.00 C ATOM 1701 OG SER A 110 12.763 -13.216 -3.415 1.00 0.00 O ATOM 0 H SER A 110 13.062 -11.060 -1.691 1.00 0.00 H new ATOM 0 HA SER A 110 13.458 -10.100 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.914 -12.364 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 110 14.395 -12.376 -4.345 1.00 0.00 H new ATOM 0 HG SER A 110 11.794 -13.085 -3.351 1.00 0.00 H new ATOM 1707 N LEU A 111 11.093 -9.421 -3.287 1.00 0.00 N ATOM 1708 CA LEU A 111 9.678 -9.077 -3.211 1.00 0.00 C ATOM 1709 C LEU A 111 9.300 -8.082 -4.303 1.00 0.00 C ATOM 1710 O LEU A 111 9.457 -6.871 -4.136 1.00 0.00 O ATOM 1711 CB LEU A 111 9.347 -8.494 -1.836 1.00 0.00 C ATOM 1712 CG LEU A 111 7.945 -7.904 -1.677 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.891 -8.904 -2.127 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.704 -7.485 -0.234 1.00 0.00 C ATOM 0 H LEU A 111 11.723 -8.689 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 111 9.100 -9.989 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.476 -9.278 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.075 -7.715 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 111 7.870 -7.019 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.900 -8.467 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.052 -9.155 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.965 -9.808 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.702 -7.067 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.798 -8.354 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.439 -6.733 0.054 1.00 0.00 H new ATOM 1726 N LEU A 112 8.800 -8.598 -5.420 1.00 0.00 N ATOM 1727 CA LEU A 112 8.397 -7.755 -6.540 1.00 0.00 C ATOM 1728 C LEU A 112 6.878 -7.696 -6.659 1.00 0.00 C ATOM 1729 O LEU A 112 6.162 -8.436 -5.982 1.00 0.00 O ATOM 1730 CB LEU A 112 9.002 -8.280 -7.843 1.00 0.00 C ATOM 1731 CG LEU A 112 10.513 -8.514 -7.835 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.876 -9.684 -8.737 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.250 -7.255 -8.269 1.00 0.00 C ATOM 0 H LEU A 112 8.664 -9.597 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 112 8.768 -6.747 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.510 -9.219 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.768 -7.573 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 112 10.819 -8.757 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.955 -9.836 -8.719 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.377 -10.586 -8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.557 -9.470 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.324 -7.440 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.940 -6.981 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.015 -6.441 -7.583 1.00 0.00 H new ATOM 1745 N LEU A 113 6.390 -6.813 -7.523 1.00 0.00 N ATOM 1746 CA LEU A 113 4.955 -6.659 -7.733 1.00 0.00 C ATOM 1747 C LEU A 113 4.481 -7.513 -8.905 1.00 0.00 C ATOM 1748 O LEU A 113 4.797 -7.228 -10.061 1.00 0.00 O ATOM 1749 CB LEU A 113 4.611 -5.190 -7.985 1.00 0.00 C ATOM 1750 CG LEU A 113 5.152 -4.189 -6.964 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.980 -2.765 -7.469 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.458 -4.369 -5.621 1.00 0.00 C ATOM 0 H LEU A 113 6.968 -6.192 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 113 4.443 -6.996 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.987 -4.913 -8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.526 -5.093 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 113 6.217 -4.378 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.371 -2.067 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.524 -2.643 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.922 -2.563 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.856 -3.648 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.387 -4.208 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.634 -5.380 -5.253 1.00 0.00 H new ATOM 1764 N ARG A 114 3.720 -8.559 -8.599 1.00 0.00 N ATOM 1765 CA ARG A 114 3.202 -9.453 -9.628 1.00 0.00 C ATOM 1766 C ARG A 114 1.750 -9.120 -9.956 1.00 0.00 C ATOM 1767 O ARG A 114 1.423 -8.769 -11.090 1.00 0.00 O ATOM 1768 CB ARG A 114 3.312 -10.908 -9.171 1.00 0.00 C ATOM 1769 CG ARG A 114 4.742 -11.421 -9.110 1.00 0.00 C ATOM 1770 CD ARG A 114 4.880 -12.572 -8.125 1.00 0.00 C ATOM 1771 NE ARG A 114 3.938 -13.651 -8.410 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.081 -14.505 -9.417 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.123 -14.406 -10.231 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.182 -15.461 -9.611 1.00 0.00 N ATOM 0 H ARG A 114 3.449 -8.808 -7.648 1.00 0.00 H new ATOM 0 HA ARG A 114 3.801 -9.316 -10.529 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.858 -11.006 -8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.738 -11.538 -9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.054 -11.750 -10.101 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.409 -10.609 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.898 -12.960 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.715 -12.204 -7.112 1.00 0.00 H new ATOM 0 HE ARG A 114 3.125 -13.754 -7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.817 -13.673 -10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.231 -15.063 -11.004 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.380 -15.541 -8.986 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.293 -16.116 -10.385 1.00 0.00 H new ATOM 1788 N HIS A 115 0.881 -9.233 -8.955 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.537 -8.945 -9.137 1.00 0.00 C ATOM 1790 C HIS A 115 -1.044 -8.004 -8.048 1.00 0.00 C ATOM 1791 O HIS A 115 -0.736 -8.161 -6.866 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.348 -10.241 -9.127 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.599 -11.420 -9.666 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.604 -11.769 -11.000 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.183 -12.333 -9.043 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.141 -12.846 -11.174 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.630 -13.208 -10.001 1.00 0.00 N ATOM 0 H HIS A 115 1.135 -9.522 -8.010 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.662 -8.455 -10.103 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.661 -10.456 -8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.255 -10.097 -9.715 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -1.105 -11.273 -11.737 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.412 -12.366 -7.988 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.320 -13.345 -12.115 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.839 -7.003 -8.453 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.405 -6.018 -7.526 1.00 0.00 C ATOM 1808 C PRO A 116 -3.467 -6.623 -6.614 1.00 0.00 C ATOM 1809 O PRO A 116 -3.875 -7.770 -6.796 1.00 0.00 O ATOM 1810 CB PRO A 116 -3.030 -4.975 -8.456 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.327 -5.717 -9.713 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.247 -6.755 -9.845 1.00 0.00 C ATOM 0 HA PRO A 116 -1.651 -5.612 -6.852 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.936 -4.551 -8.023 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.346 -4.146 -8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.312 -6.182 -9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.330 -5.045 -10.571 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.618 -7.662 -10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.415 -6.394 -10.449 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.911 -5.845 -5.634 1.00 0.00 N ATOM 1821 CA TYR A 117 -4.924 -6.305 -4.692 1.00 0.00 C ATOM 1822 C TYR A 117 -6.327 -6.052 -5.235 1.00 0.00 C ATOM 1823 O TYR A 117 -6.544 -5.134 -6.025 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.753 -5.604 -3.343 1.00 0.00 C ATOM 1825 CG TYR A 117 -5.993 -5.644 -2.478 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.481 -6.848 -1.985 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.675 -4.478 -2.153 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.613 -6.889 -1.195 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.807 -4.510 -1.363 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.273 -5.718 -0.887 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.401 -5.755 -0.099 1.00 0.00 O ATOM 0 H TYR A 117 -3.585 -4.892 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.795 -7.379 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -3.928 -6.070 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.474 -4.565 -3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.966 -7.767 -2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.314 -3.531 -2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.979 -7.833 -0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.325 -3.594 -1.119 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.744 -4.845 0.024 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.279 -6.874 -4.803 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.650 -6.724 -5.255 1.00 0.00 C ATOM 1843 C GLY A 118 -8.859 -7.254 -6.660 1.00 0.00 C ATOM 1844 O GLY A 118 -9.810 -7.993 -6.917 1.00 0.00 O ATOM 0 H GLY A 118 -7.125 -7.641 -4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.315 -7.249 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.927 -5.670 -5.223 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.970 -6.876 -7.571 1.00 0.00 N ATOM 1849 CA TYR A 119 -8.064 -7.315 -8.958 1.00 0.00 C ATOM 1850 C TYR A 119 -8.157 -8.835 -9.044 1.00 0.00 C ATOM 1851 O TYR A 119 -8.038 -9.535 -8.038 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.854 -6.821 -9.754 1.00 0.00 C ATOM 1853 CG TYR A 119 -7.057 -6.861 -11.252 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.928 -5.978 -11.878 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.377 -7.780 -12.041 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -8.118 -6.011 -13.246 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.559 -7.819 -13.410 1.00 0.00 C ATOM 1858 CZ TYR A 119 -7.431 -6.933 -14.008 1.00 0.00 C ATOM 1859 OH TYR A 119 -7.615 -6.968 -15.371 1.00 0.00 O ATOM 0 H TYR A 119 -7.176 -6.267 -7.374 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.971 -6.889 -9.386 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.625 -5.798 -9.454 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.987 -7.430 -9.497 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.466 -5.253 -11.285 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.694 -8.476 -11.576 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.801 -5.319 -13.716 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -6.021 -8.539 -14.009 1.00 0.00 H new ATOM 0 HH TYR A 119 -7.057 -7.674 -15.758 1.00 0.00 H new