USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 948 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 113 THR OG1 : rot 180:sc= 0.0838 USER MOD Set 1.2: A 114 HIS : no HD1:sc= 0 X(o=0.084,f=0.31) USER MOD Set 2.1: A 74 TYR OH : rot 30:sc= 0.346 USER MOD Set 2.2: A 108 TYR OH : rot 178:sc= 0.788 USER MOD Set 3.1: A 64 HIS : no HE2:sc= -1.14 K(o=-1.2,f=-8.5!) USER MOD Set 3.2: A 66 SER OG : rot 120:sc= -0.0957 USER MOD Set 4.1: A 27 SER OG : rot 22:sc= 1.25 USER MOD Set 4.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -0.364 F(o=-1.1,f=-0.36) USER MOD Single : A 20 THR OG1 : rot -100:sc= -0.214 USER MOD Single : A 21 GLN :FLIP amide:sc= -0.893! C(o=-2.2!,f=-0.89!) USER MOD Single : A 26 THR OG1 : rot 137:sc= -0.0821 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0401 K(o=-0.04,f=-0.81) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0966 USER MOD Single : A 48 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.71 X(o=-1.7,f=-2.1!) USER MOD Single : A 69 SER OG : rot 68:sc= 1.19 USER MOD Single : A 72 ASN : amide:sc= 0.973 K(o=0.97,f=-0.29) USER MOD Single : A 75 MET CE :methyl 154:sc= -1.23 (180deg=-4.4!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 78 TYR OH : rot -34:sc= 1.03 USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.24) USER MOD Single : A 84 LYS NZ :NH3+ -155:sc= 1.31 (180deg=1.14) USER MOD Single : A 86 SER OG : rot -1:sc= 0.851 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 95 MET CE :methyl -127:sc= -1.59 (180deg=-3.51!) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 ASN : amide:sc= 1.04 K(o=1,f=-0.0098) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN :FLIP amide:sc= -0.0775 F(o=-0.98,f=-0.077) USER MOD Single : A 122 MET CE :methyl -178:sc= -0.14 (180deg=-0.152) USER MOD Single : A 126 GLN : amide:sc= -0.161 K(o=-0.16,f=-10!) USER MOD Single : A 127 GLN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : A 128 MET CE :methyl -156:sc= -0.106 (180deg=-0.667) USER MOD Single : A 129 GLN : amide:sc= -0.0692 X(o=-0.069,f=-0.084) USER MOD Single : A 134 ASN : amide:sc= 0.41 K(o=0.41,f=-8!) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot -55:sc= 0.0933 USER MOD Single : A 144 THR OG1 : rot -35:sc= 0.324 USER MOD ----------------------------------------------------------------- ATOM 201 N PHE A 15 13.197 4.617 -1.072 1.00 0.00 N ATOM 202 CA PHE A 15 12.393 4.425 0.124 1.00 0.00 C ATOM 203 C PHE A 15 12.726 5.426 1.249 1.00 0.00 C ATOM 204 O PHE A 15 13.338 5.061 2.257 1.00 0.00 O ATOM 205 CB PHE A 15 12.508 2.957 0.575 1.00 0.00 C ATOM 206 CG PHE A 15 12.065 1.878 -0.404 1.00 0.00 C ATOM 207 CD1 PHE A 15 11.000 2.074 -1.309 1.00 0.00 C ATOM 208 CD2 PHE A 15 12.709 0.627 -0.366 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.599 1.037 -2.170 1.00 0.00 C ATOM 210 CE2 PHE A 15 12.291 -0.416 -1.206 1.00 0.00 C ATOM 211 CZ PHE A 15 11.240 -0.211 -2.114 1.00 0.00 C ATOM 0 HA PHE A 15 11.353 4.637 -0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 15 13.549 2.767 0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.925 2.840 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.490 3.026 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.532 0.469 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.797 1.201 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.779 -1.378 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.925 -1.011 -2.768 1.00 0.00 H new ATOM 221 N ASN A 16 12.295 6.685 1.104 1.00 0.00 N ATOM 222 CA ASN A 16 12.760 7.809 1.928 1.00 0.00 C ATOM 223 C ASN A 16 11.581 8.626 2.467 1.00 0.00 C ATOM 224 O ASN A 16 10.621 8.839 1.723 1.00 0.00 O ATOM 225 CB ASN A 16 13.668 8.704 1.061 1.00 0.00 C ATOM 226 CG ASN A 16 14.870 9.193 1.852 1.00 0.00 C ATOM 227 OD1 ASN A 16 14.996 10.480 2.122 1.00 0.00 O flip ATOM 228 ND2 ASN A 16 15.722 8.399 2.222 1.00 0.00 N flip ATOM 0 H ASN A 16 11.605 6.956 0.403 1.00 0.00 H new ATOM 0 HA ASN A 16 13.312 7.422 2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.006 8.147 0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.099 9.558 0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.620 7.406 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.535 8.729 2.742 1.00 0.00 H new ATOM 235 N PRO A 17 11.647 9.179 3.693 1.00 0.00 N ATOM 236 CA PRO A 17 10.581 10.013 4.255 1.00 0.00 C ATOM 237 C PRO A 17 10.524 11.403 3.602 1.00 0.00 C ATOM 238 O PRO A 17 9.520 12.104 3.707 1.00 0.00 O ATOM 239 CB PRO A 17 10.860 10.093 5.759 1.00 0.00 C ATOM 240 CG PRO A 17 12.383 9.977 5.795 1.00 0.00 C ATOM 241 CD PRO A 17 12.695 8.987 4.680 1.00 0.00 C ATOM 0 HA PRO A 17 9.601 9.578 4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.510 11.030 6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.374 9.287 6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.862 10.940 5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.735 9.616 6.761 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.679 9.175 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.701 7.963 5.053 1.00 0.00 H new ATOM 249 N ALA A 18 11.546 11.781 2.822 1.00 0.00 N ATOM 250 CA ALA A 18 11.491 12.919 1.903 1.00 0.00 C ATOM 251 C ALA A 18 10.443 12.743 0.790 1.00 0.00 C ATOM 252 O ALA A 18 10.258 13.638 -0.037 1.00 0.00 O ATOM 253 CB ALA A 18 12.875 13.143 1.294 1.00 0.00 C ATOM 0 H ALA A 18 12.444 11.297 2.814 1.00 0.00 H new ATOM 0 HA ALA A 18 11.185 13.791 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.838 13.990 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.593 13.349 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.182 12.250 0.750 1.00 0.00 H new ATOM 259 N ALA A 19 9.752 11.603 0.750 1.00 0.00 N ATOM 260 CA ALA A 19 8.635 11.294 -0.116 1.00 0.00 C ATOM 261 C ALA A 19 7.384 10.931 0.711 1.00 0.00 C ATOM 262 O ALA A 19 6.456 10.333 0.163 1.00 0.00 O ATOM 263 CB ALA A 19 9.087 10.234 -1.124 1.00 0.00 C ATOM 0 H ALA A 19 9.981 10.824 1.368 1.00 0.00 H new ATOM 0 HA ALA A 19 8.323 12.163 -0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.259 9.986 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.919 10.622 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.406 9.338 -0.591 1.00 0.00 H new ATOM 269 N THR A 20 7.281 11.340 1.981 1.00 0.00 N ATOM 270 CA THR A 20 6.047 11.244 2.760 1.00 0.00 C ATOM 271 C THR A 20 5.081 12.428 2.551 1.00 0.00 C ATOM 272 O THR A 20 3.944 12.196 2.162 1.00 0.00 O ATOM 273 CB THR A 20 6.383 11.039 4.243 1.00 0.00 C ATOM 274 OG1 THR A 20 7.233 9.924 4.403 1.00 0.00 O ATOM 275 CG2 THR A 20 5.128 10.805 5.079 1.00 0.00 C ATOM 0 H THR A 20 8.059 11.749 2.498 1.00 0.00 H new ATOM 0 HA THR A 20 5.505 10.374 2.389 1.00 0.00 H new ATOM 0 HB THR A 20 6.876 11.949 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.706 9.149 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.407 10.664 6.123 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.468 11.668 4.993 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.611 9.916 4.719 1.00 0.00 H new ATOM 283 N GLN A 21 5.434 13.674 2.884 1.00 0.00 N ATOM 284 CA GLN A 21 4.445 14.742 3.105 1.00 0.00 C ATOM 285 C GLN A 21 3.570 15.090 1.885 1.00 0.00 C ATOM 286 O GLN A 21 2.427 15.521 2.068 1.00 0.00 O ATOM 287 CB GLN A 21 5.055 16.000 3.751 1.00 0.00 C ATOM 288 CG GLN A 21 6.501 16.338 3.381 1.00 0.00 C ATOM 289 CD GLN A 21 7.512 15.511 4.174 1.00 0.00 C ATOM 290 OE1 GLN A 21 8.228 14.630 3.504 1.00 0.00 O flip ATOM 291 NE2 GLN A 21 7.601 15.595 5.392 1.00 0.00 N flip ATOM 0 H GLN A 21 6.402 13.972 3.008 1.00 0.00 H new ATOM 0 HA GLN A 21 3.755 14.304 3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.430 16.853 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.000 15.886 4.834 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.651 16.166 2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.681 17.398 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.041 16.281 5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.235 14.979 5.901 1.00 0.00 H new ATOM 300 N LEU A 22 4.070 14.847 0.669 1.00 0.00 N ATOM 301 CA LEU A 22 3.394 15.116 -0.610 1.00 0.00 C ATOM 302 C LEU A 22 2.307 14.074 -0.891 1.00 0.00 C ATOM 303 O LEU A 22 1.573 14.191 -1.867 1.00 0.00 O ATOM 304 CB LEU A 22 4.379 15.126 -1.810 1.00 0.00 C ATOM 305 CG LEU A 22 5.782 15.695 -1.529 1.00 0.00 C ATOM 306 CD1 LEU A 22 6.736 15.387 -2.679 1.00 0.00 C ATOM 307 CD2 LEU A 22 5.782 17.157 -1.091 1.00 0.00 C ATOM 0 H LEU A 22 4.996 14.440 0.541 1.00 0.00 H new ATOM 0 HA LEU A 22 2.950 16.106 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.489 14.104 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.930 15.704 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 22 6.168 15.173 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.720 15.800 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.816 14.307 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.355 15.834 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.807 17.483 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.337 17.771 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.203 17.262 -0.174 1.00 0.00 H new ATOM 319 N LEU A 23 2.188 13.028 -0.063 1.00 0.00 N ATOM 320 CA LEU A 23 1.181 11.974 -0.192 1.00 0.00 C ATOM 321 C LEU A 23 -0.248 12.505 0.065 1.00 0.00 C ATOM 322 O LEU A 23 -1.158 11.713 0.317 1.00 0.00 O ATOM 323 CB LEU A 23 1.517 10.794 0.745 1.00 0.00 C ATOM 324 CG LEU A 23 2.785 9.977 0.420 1.00 0.00 C ATOM 325 CD1 LEU A 23 3.102 9.023 1.580 1.00 0.00 C ATOM 326 CD2 LEU A 23 2.648 9.151 -0.855 1.00 0.00 C ATOM 0 H LEU A 23 2.808 12.891 0.736 1.00 0.00 H new ATOM 0 HA LEU A 23 1.203 11.616 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.616 11.184 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.667 10.112 0.748 1.00 0.00 H new ATOM 0 HG LEU A 23 3.588 10.699 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.998 8.449 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.269 9.599 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.264 8.342 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.571 8.598 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.820 8.450 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.455 9.814 -1.699 1.00 0.00 H new ATOM 338 N ASP A 24 -0.470 13.816 0.016 1.00 0.00 N ATOM 339 CA ASP A 24 -1.774 14.467 0.063 1.00 0.00 C ATOM 340 C ASP A 24 -2.383 14.635 -1.331 1.00 0.00 C ATOM 341 O ASP A 24 -3.560 14.974 -1.415 1.00 0.00 O ATOM 342 CB ASP A 24 -1.635 15.841 0.749 1.00 0.00 C ATOM 343 CG ASP A 24 -2.446 15.992 2.033 1.00 0.00 C ATOM 344 OD1 ASP A 24 -3.553 15.435 2.155 1.00 0.00 O ATOM 345 OD2 ASP A 24 -1.946 16.711 2.936 1.00 0.00 O ATOM 0 H ASP A 24 0.295 14.486 -0.062 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.448 13.830 0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.583 16.015 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.942 16.616 0.047 1.00 0.00 H new ATOM 350 N ASP A 25 -1.621 14.409 -2.413 1.00 0.00 N ATOM 351 CA ASP A 25 -2.126 14.544 -3.790 1.00 0.00 C ATOM 352 C ASP A 25 -1.876 13.330 -4.682 1.00 0.00 C ATOM 353 O ASP A 25 -2.435 13.240 -5.777 1.00 0.00 O ATOM 354 CB ASP A 25 -1.587 15.825 -4.468 1.00 0.00 C ATOM 355 CG ASP A 25 -0.120 15.753 -4.944 1.00 0.00 C ATOM 356 OD1 ASP A 25 0.177 15.026 -5.923 1.00 0.00 O ATOM 357 OD2 ASP A 25 0.732 16.452 -4.354 1.00 0.00 O ATOM 0 H ASP A 25 -0.642 14.129 -2.359 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.208 14.618 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.219 16.056 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.684 16.655 -3.768 1.00 0.00 H new ATOM 362 N THR A 26 -1.040 12.391 -4.247 1.00 0.00 N ATOM 363 CA THR A 26 -0.625 11.283 -5.105 1.00 0.00 C ATOM 364 C THR A 26 -1.669 10.145 -5.119 1.00 0.00 C ATOM 365 O THR A 26 -2.617 10.135 -4.332 1.00 0.00 O ATOM 366 CB THR A 26 0.831 10.879 -4.797 1.00 0.00 C ATOM 367 OG1 THR A 26 1.085 10.419 -3.501 1.00 0.00 O ATOM 368 CG2 THR A 26 1.791 12.062 -4.944 1.00 0.00 C ATOM 0 H THR A 26 -0.638 12.374 -3.310 1.00 0.00 H new ATOM 0 HA THR A 26 -0.604 11.605 -6.146 1.00 0.00 H new ATOM 0 HB THR A 26 0.985 10.074 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.669 9.633 -3.541 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.807 11.737 -4.719 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.749 12.440 -5.966 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.502 12.853 -4.253 1.00 0.00 H new ATOM 376 N SER A 27 -1.512 9.166 -6.010 1.00 0.00 N ATOM 377 CA SER A 27 -2.411 8.032 -6.200 1.00 0.00 C ATOM 378 C SER A 27 -1.537 6.848 -6.557 1.00 0.00 C ATOM 379 O SER A 27 -0.481 7.027 -7.168 1.00 0.00 O ATOM 380 CB SER A 27 -3.388 8.362 -7.328 1.00 0.00 C ATOM 381 OG SER A 27 -4.273 7.322 -7.726 1.00 0.00 O ATOM 0 H SER A 27 -0.717 9.143 -6.648 1.00 0.00 H new ATOM 0 HA SER A 27 -2.997 7.809 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.986 9.220 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.811 8.671 -8.200 1.00 0.00 H new ATOM 0 HG SER A 27 -4.366 6.674 -6.996 1.00 0.00 H new ATOM 387 N TRP A 28 -1.972 5.657 -6.169 1.00 0.00 N ATOM 388 CA TRP A 28 -1.173 4.457 -6.114 1.00 0.00 C ATOM 389 C TRP A 28 -2.089 3.240 -6.284 1.00 0.00 C ATOM 390 O TRP A 28 -3.300 3.360 -6.139 1.00 0.00 O ATOM 391 CB TRP A 28 -0.449 4.403 -4.757 1.00 0.00 C ATOM 392 CG TRP A 28 0.325 5.623 -4.337 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.162 6.677 -3.638 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.722 5.948 -4.609 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.843 7.589 -3.417 1.00 0.00 N ATOM 396 CE2 TRP A 28 2.023 7.207 -4.015 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.758 5.321 -5.329 1.00 0.00 C ATOM 398 CZ2 TRP A 28 3.288 7.808 -4.123 1.00 0.00 C ATOM 399 CZ3 TRP A 28 4.033 5.909 -5.444 1.00 0.00 C ATOM 400 CH2 TRP A 28 4.302 7.148 -4.836 1.00 0.00 C ATOM 0 H TRP A 28 -2.936 5.502 -5.872 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.431 4.454 -6.912 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.192 4.193 -3.987 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.239 3.557 -4.775 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.184 6.784 -3.305 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.728 8.446 -2.875 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.571 4.369 -5.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.479 8.766 -3.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.808 5.405 -6.002 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.284 7.590 -4.917 1.00 0.00 H new ATOM 411 N VAL A 29 -1.554 2.054 -6.553 1.00 0.00 N ATOM 412 CA VAL A 29 -2.346 0.841 -6.767 1.00 0.00 C ATOM 413 C VAL A 29 -1.569 -0.317 -6.144 1.00 0.00 C ATOM 414 O VAL A 29 -0.414 -0.530 -6.516 1.00 0.00 O ATOM 415 CB VAL A 29 -2.601 0.665 -8.281 1.00 0.00 C ATOM 416 CG1 VAL A 29 -3.258 -0.678 -8.637 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.433 1.796 -8.886 1.00 0.00 C ATOM 0 H VAL A 29 -0.548 1.903 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.327 0.890 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.602 0.690 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.408 -0.735 -9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.612 -1.495 -8.317 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.221 -0.757 -8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.576 1.613 -9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.403 1.839 -8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.913 2.744 -8.748 1.00 0.00 H new ATOM 427 N LEU A 30 -2.165 -1.019 -5.170 1.00 0.00 N ATOM 428 CA LEU A 30 -1.567 -2.199 -4.541 1.00 0.00 C ATOM 429 C LEU A 30 -1.401 -3.265 -5.616 1.00 0.00 C ATOM 430 O LEU A 30 -2.354 -3.549 -6.346 1.00 0.00 O ATOM 431 CB LEU A 30 -2.480 -2.757 -3.438 1.00 0.00 C ATOM 432 CG LEU A 30 -1.887 -3.975 -2.698 1.00 0.00 C ATOM 433 CD1 LEU A 30 -0.668 -3.588 -1.858 1.00 0.00 C ATOM 434 CD2 LEU A 30 -2.937 -4.586 -1.769 1.00 0.00 C ATOM 0 H LEU A 30 -3.083 -0.780 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.612 -1.924 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.685 -1.968 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.436 -3.041 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.580 -4.695 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.279 -4.472 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.103 -3.172 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.959 -2.844 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.509 -5.445 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.253 -3.842 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.798 -4.908 -2.355 1.00 0.00 H new ATOM 446 N SER A 31 -0.228 -3.890 -5.689 1.00 0.00 N ATOM 447 CA SER A 31 0.024 -4.887 -6.717 1.00 0.00 C ATOM 448 C SER A 31 0.798 -6.104 -6.197 1.00 0.00 C ATOM 449 O SER A 31 0.808 -7.140 -6.867 1.00 0.00 O ATOM 450 CB SER A 31 0.747 -4.167 -7.863 1.00 0.00 C ATOM 451 OG SER A 31 0.804 -4.915 -9.060 1.00 0.00 O ATOM 0 H SER A 31 0.553 -3.724 -5.054 1.00 0.00 H new ATOM 0 HA SER A 31 -0.917 -5.310 -7.068 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.243 -3.221 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.762 -3.928 -7.546 1.00 0.00 H new ATOM 0 HG SER A 31 1.275 -4.398 -9.747 1.00 0.00 H new ATOM 457 N ALA A 32 1.409 -6.048 -5.008 1.00 0.00 N ATOM 458 CA ALA A 32 1.916 -7.230 -4.314 1.00 0.00 C ATOM 459 C ALA A 32 1.802 -7.019 -2.808 1.00 0.00 C ATOM 460 O ALA A 32 1.728 -5.883 -2.333 1.00 0.00 O ATOM 461 CB ALA A 32 3.371 -7.526 -4.709 1.00 0.00 C ATOM 0 H ALA A 32 1.565 -5.177 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 32 1.316 -8.092 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.720 -8.411 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.428 -7.703 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.999 -6.674 -4.448 1.00 0.00 H new ATOM 467 N TRP A 33 1.814 -8.118 -2.056 1.00 0.00 N ATOM 468 CA TRP A 33 1.779 -8.123 -0.605 1.00 0.00 C ATOM 469 C TRP A 33 2.692 -9.245 -0.140 1.00 0.00 C ATOM 470 O TRP A 33 2.282 -10.402 -0.079 1.00 0.00 O ATOM 471 CB TRP A 33 0.334 -8.302 -0.120 1.00 0.00 C ATOM 472 CG TRP A 33 0.074 -8.180 1.350 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.973 -8.217 2.363 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.212 -7.926 1.978 1.00 0.00 C ATOM 475 NE1 TRP A 33 0.339 -7.979 3.563 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.012 -7.783 3.381 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.526 -7.785 1.486 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.064 -7.485 4.254 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.587 -7.476 2.353 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.349 -7.305 3.724 1.00 0.00 C ATOM 0 H TRP A 33 1.849 -9.055 -2.457 1.00 0.00 H new ATOM 0 HA TRP A 33 2.130 -7.180 -0.187 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.286 -7.566 -0.633 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.008 -9.286 -0.441 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.030 -8.405 2.247 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.809 -7.952 4.468 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.719 -7.916 0.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.889 -7.395 5.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.588 -7.370 1.963 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.164 -7.032 4.378 1.00 0.00 H new ATOM 491 N LYS A 34 3.949 -8.936 0.150 1.00 0.00 N ATOM 492 CA LYS A 34 4.845 -9.888 0.774 1.00 0.00 C ATOM 493 C LYS A 34 4.417 -10.061 2.220 1.00 0.00 C ATOM 494 O LYS A 34 4.186 -9.068 2.908 1.00 0.00 O ATOM 495 CB LYS A 34 6.294 -9.385 0.696 1.00 0.00 C ATOM 496 CG LYS A 34 7.222 -10.554 0.379 1.00 0.00 C ATOM 497 CD LYS A 34 7.221 -10.856 -1.128 1.00 0.00 C ATOM 498 CE LYS A 34 8.583 -10.503 -1.730 1.00 0.00 C ATOM 499 NZ LYS A 34 8.601 -10.698 -3.192 1.00 0.00 N ATOM 0 H LYS A 34 4.369 -8.026 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 34 4.798 -10.846 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.383 -8.617 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.582 -8.924 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.235 -10.320 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.904 -11.438 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.001 -11.910 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.436 -10.284 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.825 -9.466 -1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.355 -11.121 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.540 -10.449 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.394 -11.693 -3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.882 -10.090 -3.632 1.00 0.00 H new ATOM 513 N GLN A 35 4.335 -11.295 2.697 1.00 0.00 N ATOM 514 CA GLN A 35 4.437 -11.535 4.119 1.00 0.00 C ATOM 515 C GLN A 35 5.840 -11.146 4.572 1.00 0.00 C ATOM 516 O GLN A 35 6.751 -11.060 3.742 1.00 0.00 O ATOM 517 CB GLN A 35 4.172 -12.996 4.473 1.00 0.00 C ATOM 518 CG GLN A 35 2.760 -13.456 4.094 1.00 0.00 C ATOM 519 CD GLN A 35 2.319 -14.628 4.961 1.00 0.00 C ATOM 520 OE1 GLN A 35 1.183 -14.666 5.430 1.00 0.00 O ATOM 521 NE2 GLN A 35 3.189 -15.584 5.241 1.00 0.00 N ATOM 0 H GLN A 35 4.200 -12.130 2.126 1.00 0.00 H new ATOM 0 HA GLN A 35 3.681 -10.936 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.902 -13.626 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.319 -13.137 5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.060 -12.629 4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.738 -13.747 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.130 -15.548 4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.919 -16.357 5.849 1.00 0.00 H new ATOM 530 N ALA A 36 6.025 -10.993 5.881 1.00 0.00 N ATOM 531 CA ALA A 36 7.263 -10.471 6.452 1.00 0.00 C ATOM 532 C ALA A 36 8.474 -11.332 6.080 1.00 0.00 C ATOM 533 O ALA A 36 9.592 -10.834 5.988 1.00 0.00 O ATOM 534 CB ALA A 36 7.117 -10.359 7.973 1.00 0.00 C ATOM 0 H ALA A 36 5.318 -11.228 6.577 1.00 0.00 H new ATOM 0 HA ALA A 36 7.442 -9.481 6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.041 -9.969 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.295 -9.684 8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.911 -11.344 8.392 1.00 0.00 H new ATOM 540 N ASP A 37 8.253 -12.622 5.825 1.00 0.00 N ATOM 541 CA ASP A 37 9.303 -13.601 5.566 1.00 0.00 C ATOM 542 C ASP A 37 9.612 -13.747 4.080 1.00 0.00 C ATOM 543 O ASP A 37 10.679 -14.247 3.725 1.00 0.00 O ATOM 544 CB ASP A 37 8.893 -14.951 6.153 1.00 0.00 C ATOM 545 CG ASP A 37 9.307 -15.048 7.615 1.00 0.00 C ATOM 546 OD1 ASP A 37 8.890 -14.185 8.419 1.00 0.00 O ATOM 547 OD2 ASP A 37 10.053 -16.001 7.935 1.00 0.00 O ATOM 0 H ASP A 37 7.315 -13.022 5.793 1.00 0.00 H new ATOM 0 HA ASP A 37 10.214 -13.243 6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.814 -15.079 6.066 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.357 -15.757 5.584 1.00 0.00 H new ATOM 552 N GLY A 38 8.714 -13.312 3.193 1.00 0.00 N ATOM 553 CA GLY A 38 8.942 -13.335 1.754 1.00 0.00 C ATOM 554 C GLY A 38 7.848 -14.018 0.936 1.00 0.00 C ATOM 555 O GLY A 38 7.889 -13.966 -0.291 1.00 0.00 O ATOM 0 H GLY A 38 7.805 -12.933 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.050 -12.309 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.888 -13.840 1.560 1.00 0.00 H new ATOM 559 N THR A 39 6.853 -14.638 1.566 1.00 0.00 N ATOM 560 CA THR A 39 5.716 -15.249 0.888 1.00 0.00 C ATOM 561 C THR A 39 4.851 -14.144 0.290 1.00 0.00 C ATOM 562 O THR A 39 4.152 -13.451 1.022 1.00 0.00 O ATOM 563 CB THR A 39 4.951 -16.110 1.901 1.00 0.00 C ATOM 564 OG1 THR A 39 5.842 -17.109 2.340 1.00 0.00 O ATOM 565 CG2 THR A 39 3.678 -16.757 1.356 1.00 0.00 C ATOM 0 H THR A 39 6.815 -14.731 2.581 1.00 0.00 H new ATOM 0 HA THR A 39 6.034 -15.897 0.071 1.00 0.00 H new ATOM 0 HB THR A 39 4.611 -15.458 2.706 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.392 -17.684 2.994 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.204 -17.346 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.991 -15.981 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.930 -17.406 0.518 1.00 0.00 H new ATOM 573 N ALA A 40 4.913 -13.918 -1.019 1.00 0.00 N ATOM 574 CA ALA A 40 3.966 -13.032 -1.677 1.00 0.00 C ATOM 575 C ALA A 40 2.573 -13.662 -1.620 1.00 0.00 C ATOM 576 O ALA A 40 2.388 -14.802 -2.049 1.00 0.00 O ATOM 577 CB ALA A 40 4.437 -12.751 -3.097 1.00 0.00 C ATOM 0 H ALA A 40 5.606 -14.335 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 40 3.908 -12.070 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.728 -12.087 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.418 -12.277 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.503 -13.688 -3.651 1.00 0.00 H new ATOM 583 N ARG A 41 1.613 -12.943 -1.044 1.00 0.00 N ATOM 584 CA ARG A 41 0.204 -13.306 -0.981 1.00 0.00 C ATOM 585 C ARG A 41 -0.463 -13.071 -2.329 1.00 0.00 C ATOM 586 O ARG A 41 -0.083 -12.163 -3.073 1.00 0.00 O ATOM 587 CB ARG A 41 -0.490 -12.422 0.065 1.00 0.00 C ATOM 588 CG ARG A 41 -0.272 -12.925 1.493 1.00 0.00 C ATOM 589 CD ARG A 41 -0.419 -11.774 2.501 1.00 0.00 C ATOM 590 NE ARG A 41 -0.830 -12.293 3.816 1.00 0.00 N ATOM 591 CZ ARG A 41 -0.643 -11.752 5.023 1.00 0.00 C ATOM 592 NH1 ARG A 41 -0.074 -10.560 5.134 1.00 0.00 N ATOM 593 NH2 ARG A 41 -1.038 -12.435 6.092 1.00 0.00 N ATOM 0 H ARG A 41 1.807 -12.051 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 41 0.121 -14.360 -0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.115 -11.402 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.559 -12.387 -0.145 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.993 -13.710 1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.720 -13.368 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.527 -11.240 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.156 -11.057 2.139 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.324 -13.185 3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.221 -10.056 4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.069 -10.147 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.473 -13.351 5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.906 -12.044 7.025 1.00 0.00 H new ATOM 607 N ALA A 42 -1.523 -13.831 -2.586 1.00 0.00 N ATOM 608 CA ALA A 42 -2.427 -13.606 -3.701 1.00 0.00 C ATOM 609 C ALA A 42 -3.221 -12.318 -3.478 1.00 0.00 C ATOM 610 O ALA A 42 -3.913 -12.185 -2.461 1.00 0.00 O ATOM 611 CB ALA A 42 -3.372 -14.803 -3.860 1.00 0.00 C ATOM 0 H ALA A 42 -1.780 -14.635 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.846 -13.500 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.046 -14.626 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.789 -15.705 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.954 -14.931 -2.947 1.00 0.00 H new ATOM 617 N VAL A 43 -3.168 -11.408 -4.451 1.00 0.00 N ATOM 618 CA VAL A 43 -3.950 -10.176 -4.522 1.00 0.00 C ATOM 619 C VAL A 43 -4.575 -10.087 -5.932 1.00 0.00 C ATOM 620 O VAL A 43 -4.031 -10.693 -6.865 1.00 0.00 O ATOM 621 CB VAL A 43 -3.061 -8.954 -4.179 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.515 -9.006 -2.741 1.00 0.00 C ATOM 623 CG2 VAL A 43 -1.858 -8.783 -5.123 1.00 0.00 C ATOM 0 H VAL A 43 -2.546 -11.517 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.755 -10.179 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.733 -8.104 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.899 -8.126 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.347 -9.023 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.912 -9.905 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.281 -7.908 -4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.226 -9.670 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.213 -8.650 -6.145 1.00 0.00 H new ATOM 633 N PRO A 44 -5.695 -9.369 -6.122 1.00 0.00 N ATOM 634 CA PRO A 44 -6.357 -9.276 -7.417 1.00 0.00 C ATOM 635 C PRO A 44 -5.573 -8.360 -8.365 1.00 0.00 C ATOM 636 O PRO A 44 -5.367 -7.181 -8.074 1.00 0.00 O ATOM 637 CB PRO A 44 -7.760 -8.732 -7.126 1.00 0.00 C ATOM 638 CG PRO A 44 -7.578 -7.930 -5.843 1.00 0.00 C ATOM 639 CD PRO A 44 -6.455 -8.657 -5.104 1.00 0.00 C ATOM 0 HA PRO A 44 -6.411 -10.243 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.124 -8.106 -7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.483 -9.538 -6.996 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.311 -6.895 -6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.494 -7.908 -5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.821 -7.951 -4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.859 -9.349 -4.365 1.00 0.00 H new ATOM 647 N SER A 45 -5.134 -8.878 -9.512 1.00 0.00 N ATOM 648 CA SER A 45 -4.672 -8.074 -10.623 1.00 0.00 C ATOM 649 C SER A 45 -5.806 -7.237 -11.236 1.00 0.00 C ATOM 650 O SER A 45 -6.987 -7.545 -11.061 1.00 0.00 O ATOM 651 CB SER A 45 -4.118 -9.030 -11.684 1.00 0.00 C ATOM 652 OG SER A 45 -3.646 -10.276 -11.190 1.00 0.00 O ATOM 0 H SER A 45 -5.092 -9.882 -9.689 1.00 0.00 H new ATOM 0 HA SER A 45 -3.911 -7.379 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.899 -9.222 -12.420 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.302 -8.532 -12.207 1.00 0.00 H new ATOM 0 HG SER A 45 -3.314 -10.819 -11.935 1.00 0.00 H new ATOM 658 N ALA A 46 -5.459 -6.281 -12.098 1.00 0.00 N ATOM 659 CA ALA A 46 -6.408 -5.579 -12.951 1.00 0.00 C ATOM 660 C ALA A 46 -7.214 -6.548 -13.821 1.00 0.00 C ATOM 661 O ALA A 46 -8.375 -6.274 -14.131 1.00 0.00 O ATOM 662 CB ALA A 46 -5.668 -4.557 -13.820 1.00 0.00 C ATOM 0 H ALA A 46 -4.495 -5.971 -12.222 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.118 -5.057 -12.310 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.383 -4.035 -14.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.158 -3.837 -13.180 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.936 -5.071 -14.443 1.00 0.00 H new ATOM 668 N ASP A 47 -6.628 -7.678 -14.228 1.00 0.00 N ATOM 669 CA ASP A 47 -7.332 -8.670 -15.045 1.00 0.00 C ATOM 670 C ASP A 47 -8.166 -9.635 -14.204 1.00 0.00 C ATOM 671 O ASP A 47 -9.013 -10.330 -14.750 1.00 0.00 O ATOM 672 CB ASP A 47 -6.368 -9.436 -15.969 1.00 0.00 C ATOM 673 CG ASP A 47 -6.931 -9.460 -17.391 1.00 0.00 C ATOM 674 OD1 ASP A 47 -6.726 -8.464 -18.126 1.00 0.00 O ATOM 675 OD2 ASP A 47 -7.632 -10.424 -17.761 1.00 0.00 O ATOM 0 H ASP A 47 -5.665 -7.929 -14.004 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.025 -8.111 -15.673 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.387 -8.960 -15.963 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.230 -10.454 -15.604 1.00 0.00 H new ATOM 680 N GLN A 48 -7.968 -9.668 -12.880 1.00 0.00 N ATOM 681 CA GLN A 48 -8.734 -10.523 -11.968 1.00 0.00 C ATOM 682 C GLN A 48 -10.147 -9.983 -11.721 1.00 0.00 C ATOM 683 O GLN A 48 -11.013 -10.725 -11.258 1.00 0.00 O ATOM 684 CB GLN A 48 -8.005 -10.678 -10.625 1.00 0.00 C ATOM 685 CG GLN A 48 -6.758 -11.558 -10.722 1.00 0.00 C ATOM 686 CD GLN A 48 -7.058 -13.003 -11.092 1.00 0.00 C ATOM 687 OE1 GLN A 48 -7.670 -13.739 -10.320 1.00 0.00 O ATOM 688 NE2 GLN A 48 -6.605 -13.425 -12.255 1.00 0.00 N ATOM 0 H GLN A 48 -7.266 -9.097 -12.409 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.822 -11.497 -12.450 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.720 -9.693 -10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.690 -11.107 -9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.082 -11.135 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.234 -11.538 -9.766 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.101 -12.785 -12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.758 -14.392 -12.541 1.00 0.00 H new ATOM 697 N GLY A 49 -10.388 -8.706 -12.022 1.00 0.00 N ATOM 698 CA GLY A 49 -11.723 -8.148 -12.164 1.00 0.00 C ATOM 699 C GLY A 49 -11.973 -6.909 -11.316 1.00 0.00 C ATOM 700 O GLY A 49 -12.866 -6.121 -11.636 1.00 0.00 O ATOM 0 H GLY A 49 -9.645 -8.024 -12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.891 -7.898 -13.212 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.454 -8.911 -11.897 1.00 0.00 H new ATOM 704 N ALA A 50 -11.213 -6.715 -10.236 1.00 0.00 N ATOM 705 CA ALA A 50 -11.348 -5.558 -9.369 1.00 0.00 C ATOM 706 C ALA A 50 -10.031 -5.261 -8.634 1.00 0.00 C ATOM 707 O ALA A 50 -9.834 -5.759 -7.526 1.00 0.00 O ATOM 708 CB ALA A 50 -12.538 -5.757 -8.421 1.00 0.00 C ATOM 0 H ALA A 50 -10.484 -7.365 -9.942 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.558 -4.674 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.636 -4.887 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.451 -5.880 -9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.374 -6.646 -7.813 1.00 0.00 H new ATOM 714 N PRO A 51 -9.095 -4.508 -9.243 1.00 0.00 N ATOM 715 CA PRO A 51 -7.837 -4.167 -8.592 1.00 0.00 C ATOM 716 C PRO A 51 -8.052 -3.200 -7.420 1.00 0.00 C ATOM 717 O PRO A 51 -8.998 -2.400 -7.394 1.00 0.00 O ATOM 718 CB PRO A 51 -6.965 -3.548 -9.687 1.00 0.00 C ATOM 719 CG PRO A 51 -7.987 -2.940 -10.647 1.00 0.00 C ATOM 720 CD PRO A 51 -9.165 -3.911 -10.569 1.00 0.00 C ATOM 0 HA PRO A 51 -7.361 -5.045 -8.155 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.291 -2.792 -9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.346 -4.297 -10.180 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.275 -1.933 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.593 -2.867 -11.661 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.112 -3.391 -10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.097 -4.673 -11.346 1.00 0.00 H new ATOM 728 N ILE A 52 -7.116 -3.256 -6.477 1.00 0.00 N ATOM 729 CA ILE A 52 -7.052 -2.479 -5.249 1.00 0.00 C ATOM 730 C ILE A 52 -6.326 -1.161 -5.552 1.00 0.00 C ATOM 731 O ILE A 52 -5.104 -1.127 -5.702 1.00 0.00 O ATOM 732 CB ILE A 52 -6.407 -3.365 -4.152 1.00 0.00 C ATOM 733 CG1 ILE A 52 -7.368 -4.557 -3.918 1.00 0.00 C ATOM 734 CG2 ILE A 52 -6.161 -2.587 -2.846 1.00 0.00 C ATOM 735 CD1 ILE A 52 -6.976 -5.528 -2.808 1.00 0.00 C ATOM 0 H ILE A 52 -6.325 -3.894 -6.560 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.030 -2.193 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.426 -3.709 -4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.358 -4.160 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.453 -5.117 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.708 -3.249 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.491 -1.750 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.109 -2.211 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.722 -6.320 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.003 -5.965 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.922 -4.994 -1.859 1.00 0.00 H new ATOM 747 N THR A 53 -7.082 -0.068 -5.674 1.00 0.00 N ATOM 748 CA THR A 53 -6.636 1.196 -6.258 1.00 0.00 C ATOM 749 C THR A 53 -6.847 2.330 -5.240 1.00 0.00 C ATOM 750 O THR A 53 -7.911 2.434 -4.610 1.00 0.00 O ATOM 751 CB THR A 53 -7.432 1.433 -7.556 1.00 0.00 C ATOM 752 OG1 THR A 53 -8.833 1.350 -7.335 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.107 0.433 -8.667 1.00 0.00 C ATOM 0 H THR A 53 -8.052 -0.039 -5.359 1.00 0.00 H new ATOM 0 HA THR A 53 -5.574 1.167 -6.500 1.00 0.00 H new ATOM 0 HB THR A 53 -7.135 2.434 -7.870 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.307 1.507 -8.178 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.705 0.662 -9.549 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.049 0.500 -8.919 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.336 -0.577 -8.326 1.00 0.00 H new ATOM 761 N LEU A 54 -5.863 3.215 -5.081 1.00 0.00 N ATOM 762 CA LEU A 54 -5.745 4.198 -4.007 1.00 0.00 C ATOM 763 C LEU A 54 -5.495 5.589 -4.612 1.00 0.00 C ATOM 764 O LEU A 54 -4.701 5.770 -5.529 1.00 0.00 O ATOM 765 CB LEU A 54 -4.627 3.724 -3.062 1.00 0.00 C ATOM 766 CG LEU A 54 -4.145 4.767 -2.049 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.227 5.222 -1.062 1.00 0.00 C ATOM 768 CD2 LEU A 54 -2.978 4.202 -1.246 1.00 0.00 C ATOM 0 H LEU A 54 -5.083 3.267 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.662 4.284 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.980 2.848 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.776 3.404 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.851 5.637 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.808 5.960 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.057 5.666 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.586 4.364 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.637 4.946 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.301 3.306 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.160 3.949 -1.921 1.00 0.00 H new ATOM 780 N THR A 55 -6.186 6.605 -4.112 1.00 0.00 N ATOM 781 CA THR A 55 -6.216 7.958 -4.657 1.00 0.00 C ATOM 782 C THR A 55 -6.353 8.891 -3.463 1.00 0.00 C ATOM 783 O THR A 55 -7.347 8.794 -2.734 1.00 0.00 O ATOM 784 CB THR A 55 -7.402 8.117 -5.629 1.00 0.00 C ATOM 785 OG1 THR A 55 -7.465 7.044 -6.554 1.00 0.00 O ATOM 786 CG2 THR A 55 -7.302 9.433 -6.397 1.00 0.00 C ATOM 0 H THR A 55 -6.767 6.505 -3.279 1.00 0.00 H new ATOM 0 HA THR A 55 -5.314 8.185 -5.225 1.00 0.00 H new ATOM 0 HB THR A 55 -8.310 8.115 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.228 7.174 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.149 9.523 -7.077 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.310 10.266 -5.694 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.375 9.451 -6.969 1.00 0.00 H new ATOM 794 N LEU A 56 -5.353 9.726 -3.198 1.00 0.00 N ATOM 795 CA LEU A 56 -5.355 10.563 -2.007 1.00 0.00 C ATOM 796 C LEU A 56 -5.691 11.972 -2.446 1.00 0.00 C ATOM 797 O LEU A 56 -4.937 12.585 -3.198 1.00 0.00 O ATOM 798 CB LEU A 56 -3.999 10.533 -1.319 1.00 0.00 C ATOM 799 CG LEU A 56 -3.543 9.186 -0.737 1.00 0.00 C ATOM 800 CD1 LEU A 56 -4.523 8.579 0.258 1.00 0.00 C ATOM 801 CD2 LEU A 56 -3.171 8.101 -1.749 1.00 0.00 C ATOM 0 H LEU A 56 -4.532 9.840 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.089 10.195 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.248 10.864 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.013 11.264 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.628 9.490 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.130 7.630 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.660 9.262 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.482 8.410 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.866 7.199 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.033 7.879 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.348 8.451 -2.372 1.00 0.00 H new ATOM 813 N SER A 57 -6.864 12.441 -2.040 1.00 0.00 N ATOM 814 CA SER A 57 -7.356 13.752 -2.419 1.00 0.00 C ATOM 815 C SER A 57 -8.465 14.174 -1.437 1.00 0.00 C ATOM 816 O SER A 57 -8.751 13.469 -0.462 1.00 0.00 O ATOM 817 CB SER A 57 -7.871 13.638 -3.869 1.00 0.00 C ATOM 818 OG SER A 57 -8.189 14.882 -4.462 1.00 0.00 O ATOM 0 H SER A 57 -7.500 11.919 -1.437 1.00 0.00 H new ATOM 0 HA SER A 57 -6.580 14.516 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.114 13.140 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.757 13.003 -3.881 1.00 0.00 H new ATOM 0 HG SER A 57 -8.506 14.736 -5.378 1.00 0.00 H new ATOM 824 N THR A 58 -9.120 15.309 -1.691 1.00 0.00 N ATOM 825 CA THR A 58 -10.136 15.879 -0.811 1.00 0.00 C ATOM 826 C THR A 58 -11.557 15.443 -1.206 1.00 0.00 C ATOM 827 O THR A 58 -12.479 16.248 -1.114 1.00 0.00 O ATOM 828 CB THR A 58 -9.958 17.409 -0.691 1.00 0.00 C ATOM 829 OG1 THR A 58 -10.163 18.075 -1.926 1.00 0.00 O ATOM 830 CG2 THR A 58 -8.565 17.781 -0.168 1.00 0.00 C ATOM 0 H THR A 58 -8.954 15.866 -2.530 1.00 0.00 H new ATOM 0 HA THR A 58 -9.991 15.474 0.190 1.00 0.00 H new ATOM 0 HB THR A 58 -10.717 17.735 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.042 19.039 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.480 18.865 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.417 17.341 0.818 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.806 17.401 -0.852 1.00 0.00 H new ATOM 838 N SER A 59 -11.767 14.210 -1.687 1.00 0.00 N ATOM 839 CA SER A 59 -12.969 13.834 -2.438 1.00 0.00 C ATOM 840 C SER A 59 -14.291 14.228 -1.752 1.00 0.00 C ATOM 841 O SER A 59 -15.100 14.922 -2.375 1.00 0.00 O ATOM 842 CB SER A 59 -12.913 12.346 -2.808 1.00 0.00 C ATOM 843 OG SER A 59 -14.027 11.949 -3.587 1.00 0.00 O ATOM 0 H SER A 59 -11.105 13.444 -1.565 1.00 0.00 H new ATOM 0 HA SER A 59 -12.967 14.421 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.995 12.144 -3.360 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.876 11.748 -1.898 1.00 0.00 H new ATOM 0 HG SER A 59 -13.952 10.996 -3.803 1.00 0.00 H new ATOM 849 N THR A 60 -14.535 13.816 -0.503 1.00 0.00 N ATOM 850 CA THR A 60 -15.743 14.175 0.256 1.00 0.00 C ATOM 851 C THR A 60 -15.486 15.423 1.133 1.00 0.00 C ATOM 852 O THR A 60 -16.304 15.774 1.982 1.00 0.00 O ATOM 853 CB THR A 60 -16.252 12.926 1.019 1.00 0.00 C ATOM 854 OG1 THR A 60 -17.635 12.967 1.286 1.00 0.00 O ATOM 855 CG2 THR A 60 -15.568 12.695 2.364 1.00 0.00 C ATOM 0 H THR A 60 -13.894 13.217 0.017 1.00 0.00 H new ATOM 0 HA THR A 60 -16.552 14.474 -0.411 1.00 0.00 H new ATOM 0 HB THR A 60 -16.009 12.115 0.333 1.00 0.00 H new ATOM 0 HG1 THR A 60 -17.900 12.155 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.981 11.802 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 60 -14.497 12.562 2.210 1.00 0.00 H new ATOM 0 HG23 THR A 60 -15.737 13.556 3.011 1.00 0.00 H new ATOM 863 N GLY A 61 -14.340 16.091 0.964 1.00 0.00 N ATOM 864 CA GLY A 61 -14.064 17.426 1.474 1.00 0.00 C ATOM 865 C GLY A 61 -12.779 17.542 2.289 1.00 0.00 C ATOM 866 O GLY A 61 -12.208 18.629 2.384 1.00 0.00 O ATOM 0 H GLY A 61 -13.554 15.696 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.009 18.118 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.902 17.744 2.094 1.00 0.00 H new ATOM 870 N GLN A 62 -12.308 16.448 2.880 1.00 0.00 N ATOM 871 CA GLN A 62 -11.130 16.317 3.700 1.00 0.00 C ATOM 872 C GLN A 62 -10.200 15.295 3.080 1.00 0.00 C ATOM 873 O GLN A 62 -10.574 14.555 2.176 1.00 0.00 O ATOM 874 CB GLN A 62 -11.641 15.942 5.081 1.00 0.00 C ATOM 875 CG GLN A 62 -10.621 15.793 6.202 1.00 0.00 C ATOM 876 CD GLN A 62 -10.392 14.345 6.670 1.00 0.00 C ATOM 877 OE1 GLN A 62 -9.897 14.099 7.768 1.00 0.00 O ATOM 878 NE2 GLN A 62 -10.743 13.347 5.878 1.00 0.00 N ATOM 0 H GLN A 62 -12.792 15.556 2.782 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.538 17.229 3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.365 16.697 5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.181 14.999 4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.670 16.208 5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.947 16.389 7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.155 13.541 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.602 12.383 6.180 1.00 0.00 H new ATOM 887 N ARG A 63 -8.973 15.291 3.577 1.00 0.00 N ATOM 888 CA ARG A 63 -7.906 14.428 3.102 1.00 0.00 C ATOM 889 C ARG A 63 -8.236 12.972 3.430 1.00 0.00 C ATOM 890 O ARG A 63 -8.052 12.523 4.565 1.00 0.00 O ATOM 891 CB ARG A 63 -6.554 14.927 3.637 1.00 0.00 C ATOM 892 CG ARG A 63 -6.344 14.926 5.157 1.00 0.00 C ATOM 893 CD ARG A 63 -4.913 15.369 5.486 1.00 0.00 C ATOM 894 NE ARG A 63 -4.629 16.772 5.153 1.00 0.00 N ATOM 895 CZ ARG A 63 -5.230 17.865 5.644 1.00 0.00 C ATOM 896 NH1 ARG A 63 -6.186 17.762 6.567 1.00 0.00 N ATOM 897 NH2 ARG A 63 -4.844 19.062 5.238 1.00 0.00 N ATOM 0 H ARG A 63 -8.686 15.903 4.341 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.819 14.469 2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.770 14.316 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.407 15.946 3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.060 15.596 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.527 13.929 5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.732 15.215 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.213 14.730 4.948 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.889 16.933 4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.469 16.843 6.908 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.635 18.602 6.932 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.092 19.151 4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.298 19.897 5.608 1.00 0.00 H new ATOM 911 N HIS A 64 -8.792 12.224 2.480 1.00 0.00 N ATOM 912 CA HIS A 64 -9.066 10.828 2.659 1.00 0.00 C ATOM 913 C HIS A 64 -8.775 10.001 1.416 1.00 0.00 C ATOM 914 O HIS A 64 -8.494 10.485 0.323 1.00 0.00 O ATOM 915 CB HIS A 64 -10.491 10.642 3.159 1.00 0.00 C ATOM 916 CG HIS A 64 -11.603 10.759 2.157 1.00 0.00 C ATOM 917 ND1 HIS A 64 -12.759 10.007 2.120 1.00 0.00 N ATOM 918 CD2 HIS A 64 -11.704 11.729 1.206 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.521 10.491 1.126 1.00 0.00 C ATOM 920 NE2 HIS A 64 -12.941 11.572 0.583 1.00 0.00 N ATOM 0 H HIS A 64 -9.061 12.585 1.565 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.381 10.448 3.417 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.558 9.657 3.621 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.669 11.376 3.945 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -12.992 9.227 2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.963 12.481 0.977 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.464 10.071 0.809 1.00 0.00 H new ATOM 928 N ALA A 65 -8.847 8.702 1.656 1.00 0.00 N ATOM 929 CA ALA A 65 -8.553 7.629 0.733 1.00 0.00 C ATOM 930 C ALA A 65 -9.882 6.975 0.366 1.00 0.00 C ATOM 931 O ALA A 65 -10.225 5.930 0.911 1.00 0.00 O ATOM 932 CB ALA A 65 -7.609 6.650 1.439 1.00 0.00 C ATOM 0 H ALA A 65 -9.134 8.349 2.569 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.066 7.974 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.368 5.827 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.692 7.168 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.094 6.258 2.333 1.00 0.00 H new ATOM 938 N SER A 66 -10.677 7.627 -0.478 1.00 0.00 N ATOM 939 CA SER A 66 -11.919 7.053 -1.002 1.00 0.00 C ATOM 940 C SER A 66 -11.521 6.096 -2.117 1.00 0.00 C ATOM 941 O SER A 66 -11.333 6.509 -3.266 1.00 0.00 O ATOM 942 CB SER A 66 -12.906 8.129 -1.477 1.00 0.00 C ATOM 943 OG SER A 66 -12.296 9.392 -1.649 1.00 0.00 O ATOM 0 H SER A 66 -10.481 8.568 -0.820 1.00 0.00 H new ATOM 0 HA SER A 66 -12.455 6.520 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.353 7.815 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.717 8.217 -0.754 1.00 0.00 H new ATOM 0 HG SER A 66 -12.393 9.678 -2.581 1.00 0.00 H new ATOM 949 N GLY A 67 -11.220 4.853 -1.763 1.00 0.00 N ATOM 950 CA GLY A 67 -10.531 3.916 -2.632 1.00 0.00 C ATOM 951 C GLY A 67 -11.273 2.607 -2.722 1.00 0.00 C ATOM 952 O GLY A 67 -12.325 2.428 -2.103 1.00 0.00 O ATOM 0 H GLY A 67 -11.453 4.464 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.428 4.348 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.523 3.740 -2.255 1.00 0.00 H new ATOM 956 N PHE A 68 -10.715 1.691 -3.509 1.00 0.00 N ATOM 957 CA PHE A 68 -11.275 0.367 -3.662 1.00 0.00 C ATOM 958 C PHE A 68 -10.267 -0.655 -3.180 1.00 0.00 C ATOM 959 O PHE A 68 -9.063 -0.554 -3.436 1.00 0.00 O ATOM 960 CB PHE A 68 -11.686 0.101 -5.100 1.00 0.00 C ATOM 961 CG PHE A 68 -12.711 -0.999 -5.280 1.00 0.00 C ATOM 962 CD1 PHE A 68 -14.083 -0.690 -5.259 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.296 -2.324 -5.507 1.00 0.00 C ATOM 964 CE1 PHE A 68 -15.039 -1.696 -5.472 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.250 -3.330 -5.728 1.00 0.00 C ATOM 966 CZ PHE A 68 -14.622 -3.015 -5.720 1.00 0.00 C ATOM 0 H PHE A 68 -9.867 1.852 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.179 0.291 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.086 1.022 -5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.796 -0.155 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.403 0.326 -5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.244 -2.567 -5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.092 -1.457 -5.445 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -12.931 -4.347 -5.904 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.354 -3.787 -5.904 1.00 0.00 H new ATOM 976 N SER A 69 -10.806 -1.648 -2.503 1.00 0.00 N ATOM 977 CA SER A 69 -10.146 -2.688 -1.763 1.00 0.00 C ATOM 978 C SER A 69 -11.023 -3.921 -1.959 1.00 0.00 C ATOM 979 O SER A 69 -12.252 -3.796 -1.953 1.00 0.00 O ATOM 980 CB SER A 69 -10.031 -2.237 -0.303 1.00 0.00 C ATOM 981 OG SER A 69 -11.189 -1.532 0.088 1.00 0.00 O ATOM 0 H SER A 69 -11.820 -1.751 -2.457 1.00 0.00 H new ATOM 0 HA SER A 69 -9.130 -2.910 -2.091 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.891 -3.104 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.153 -1.603 -0.180 1.00 0.00 H new ATOM 0 HG SER A 69 -11.952 -2.147 0.118 1.00 0.00 H new ATOM 987 N GLY A 70 -10.392 -5.064 -2.243 1.00 0.00 N ATOM 988 CA GLY A 70 -10.986 -6.373 -2.459 1.00 0.00 C ATOM 989 C GLY A 70 -12.222 -6.312 -3.348 1.00 0.00 C ATOM 990 O GLY A 70 -12.122 -6.408 -4.567 1.00 0.00 O ATOM 0 H GLY A 70 -9.376 -5.093 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.247 -7.033 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.255 -6.810 -1.497 1.00 0.00 H new ATOM 994 N CYS A 71 -13.400 -6.174 -2.742 1.00 0.00 N ATOM 995 CA CYS A 71 -14.610 -5.731 -3.421 1.00 0.00 C ATOM 996 C CYS A 71 -15.572 -5.039 -2.459 1.00 0.00 C ATOM 997 O CYS A 71 -16.795 -5.198 -2.509 1.00 0.00 O ATOM 998 CB CYS A 71 -15.307 -6.896 -4.056 1.00 0.00 C ATOM 999 SG CYS A 71 -16.542 -6.357 -5.255 1.00 0.00 S ATOM 0 H CYS A 71 -13.540 -6.370 -1.751 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.309 -5.016 -4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.574 -7.534 -4.549 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.787 -7.499 -3.285 1.00 0.00 H new ATOM 1004 N ASN A 72 -15.024 -4.351 -1.473 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.790 -3.718 -0.400 1.00 0.00 C ATOM 1006 C ASN A 72 -15.518 -2.230 -0.240 1.00 0.00 C ATOM 1007 O ASN A 72 -16.322 -1.559 0.411 1.00 0.00 O ATOM 1008 CB ASN A 72 -15.616 -4.501 0.912 1.00 0.00 C ATOM 1009 CG ASN A 72 -16.600 -5.642 1.144 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -16.649 -6.233 2.220 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -17.348 -6.067 0.138 1.00 0.00 N ATOM 0 H ASN A 72 -14.017 -4.211 -1.389 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.840 -3.765 -0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.605 -4.908 0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.699 -3.801 1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.956 -6.877 0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.316 -5.585 -0.760 1.00 0.00 H new ATOM 1018 N ARG A 73 -14.529 -1.699 -0.970 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.001 -0.344 -0.952 1.00 0.00 C ATOM 1020 C ARG A 73 -13.781 0.197 0.465 1.00 0.00 C ATOM 1021 O ARG A 73 -14.048 -0.432 1.486 1.00 0.00 O ATOM 1022 CB ARG A 73 -14.775 0.607 -1.886 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.214 0.255 -2.223 1.00 0.00 C ATOM 1024 CD ARG A 73 -16.799 1.258 -3.216 1.00 0.00 C ATOM 1025 NE ARG A 73 -17.982 0.716 -3.903 1.00 0.00 N ATOM 1026 CZ ARG A 73 -19.013 1.414 -4.388 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -19.111 2.725 -4.214 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -19.948 0.776 -5.072 1.00 0.00 N ATOM 0 H ARG A 73 -14.035 -2.272 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.999 -0.397 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.770 1.598 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.221 0.682 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.258 -0.749 -2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.814 0.245 -1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.071 2.174 -2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.041 1.526 -3.952 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.019 -0.296 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.388 3.227 -3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.910 3.232 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.874 -0.230 -5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.743 1.290 -5.451 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.253 1.408 0.510 1.00 0.00 N ATOM 1043 CA TYR A 74 -12.915 2.074 1.757 1.00 0.00 C ATOM 1044 C TYR A 74 -12.920 3.583 1.590 1.00 0.00 C ATOM 1045 O TYR A 74 -12.849 4.106 0.475 1.00 0.00 O ATOM 1046 CB TYR A 74 -11.573 1.577 2.326 1.00 0.00 C ATOM 1047 CG TYR A 74 -10.316 1.906 1.535 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.145 1.391 0.239 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -9.263 2.630 2.131 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -8.938 1.548 -0.442 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -8.039 2.794 1.456 1.00 0.00 C ATOM 1052 CZ TYR A 74 -7.870 2.231 0.173 1.00 0.00 C ATOM 1053 OH TYR A 74 -6.656 2.250 -0.429 1.00 0.00 O ATOM 0 H TYR A 74 -13.045 1.960 -0.322 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.686 1.816 2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.458 1.989 3.329 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.632 0.494 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.960 0.866 -0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.397 3.062 3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.822 1.147 -1.438 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.234 3.347 1.917 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.772 2.201 -1.401 1.00 0.00 H new ATOM 1063 N MET A 75 -13.053 4.287 2.711 1.00 0.00 N ATOM 1064 CA MET A 75 -12.950 5.730 2.823 1.00 0.00 C ATOM 1065 C MET A 75 -12.746 6.092 4.295 1.00 0.00 C ATOM 1066 O MET A 75 -13.108 5.310 5.177 1.00 0.00 O ATOM 1067 CB MET A 75 -14.205 6.398 2.224 1.00 0.00 C ATOM 1068 CG MET A 75 -15.514 6.028 2.935 1.00 0.00 C ATOM 1069 SD MET A 75 -16.843 5.315 1.932 1.00 0.00 S ATOM 1070 CE MET A 75 -16.127 3.738 1.413 1.00 0.00 C ATOM 0 H MET A 75 -13.245 3.840 3.607 1.00 0.00 H new ATOM 0 HA MET A 75 -12.095 6.100 2.257 1.00 0.00 H new ATOM 0 HB2 MET A 75 -14.079 7.480 2.259 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.284 6.120 1.173 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.276 5.320 3.729 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.901 6.927 3.415 1.00 0.00 H new ATOM 0 HE1 MET A 75 -16.926 3.025 1.210 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.535 3.887 0.510 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.488 3.350 2.206 1.00 0.00 H new ATOM 1080 N GLY A 76 -12.229 7.292 4.576 1.00 0.00 N ATOM 1081 CA GLY A 76 -12.315 7.871 5.915 1.00 0.00 C ATOM 1082 C GLY A 76 -11.468 9.134 6.055 1.00 0.00 C ATOM 1083 O GLY A 76 -11.975 10.233 5.823 1.00 0.00 O ATOM 0 H GLY A 76 -11.748 7.878 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.355 8.107 6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.989 7.134 6.649 1.00 0.00 H new ATOM 1087 N SER A 77 -10.182 8.990 6.376 1.00 0.00 N ATOM 1088 CA SER A 77 -9.217 10.059 6.596 1.00 0.00 C ATOM 1089 C SER A 77 -7.790 9.496 6.564 1.00 0.00 C ATOM 1090 O SER A 77 -7.598 8.285 6.720 1.00 0.00 O ATOM 1091 CB SER A 77 -9.492 10.734 7.955 1.00 0.00 C ATOM 1092 OG SER A 77 -9.954 9.844 8.956 1.00 0.00 O ATOM 0 H SER A 77 -9.765 8.067 6.496 1.00 0.00 H new ATOM 0 HA SER A 77 -9.317 10.800 5.803 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.577 11.213 8.303 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.231 11.523 7.815 1.00 0.00 H new ATOM 0 HG SER A 77 -10.106 10.338 9.789 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.797 10.370 6.384 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.390 10.069 6.621 1.00 0.00 C ATOM 1100 C TYR A 78 -4.658 11.291 7.193 1.00 0.00 C ATOM 1101 O TYR A 78 -5.193 12.404 7.231 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.726 9.543 5.332 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.690 10.527 4.183 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -3.692 11.517 4.124 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -5.650 10.439 3.163 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -3.681 12.444 3.070 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -5.648 11.372 2.113 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.677 12.387 2.069 1.00 0.00 C ATOM 1109 OH TYR A 78 -4.768 13.327 1.097 1.00 0.00 O ATOM 0 H TYR A 78 -6.956 11.325 6.063 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.321 9.279 7.368 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.705 9.242 5.564 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.256 8.648 5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.933 11.564 4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.391 9.653 3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.912 13.201 3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.396 11.309 1.336 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.504 14.199 1.459 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.407 11.081 7.609 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.465 12.101 8.049 1.00 0.00 C ATOM 1121 C ALA A 79 -1.045 11.634 7.711 1.00 0.00 C ATOM 1122 O ALA A 79 -0.745 10.443 7.851 1.00 0.00 O ATOM 1123 CB ALA A 79 -2.606 12.284 9.565 1.00 0.00 C ATOM 0 H ALA A 79 -3.007 10.143 7.648 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.666 13.049 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.905 13.046 9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.624 12.595 9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.390 11.341 10.067 1.00 0.00 H new ATOM 1129 N LEU A 80 -0.164 12.549 7.292 1.00 0.00 N ATOM 1130 CA LEU A 80 1.240 12.262 7.011 1.00 0.00 C ATOM 1131 C LEU A 80 2.107 12.744 8.170 1.00 0.00 C ATOM 1132 O LEU A 80 2.584 13.881 8.205 1.00 0.00 O ATOM 1133 CB LEU A 80 1.691 12.879 5.676 1.00 0.00 C ATOM 1134 CG LEU A 80 1.116 12.253 4.388 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.872 10.739 4.483 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -0.137 12.976 3.899 1.00 0.00 C ATOM 0 H LEU A 80 -0.415 13.526 7.137 1.00 0.00 H new ATOM 0 HA LEU A 80 1.358 11.183 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.429 13.937 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.778 12.821 5.625 1.00 0.00 H new ATOM 0 HG LEU A 80 1.900 12.390 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.468 10.376 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.813 10.231 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.162 10.534 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.502 12.497 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.908 12.930 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.103 14.018 3.688 1.00 0.00 H new ATOM 1148 N LYS A 81 2.382 11.841 9.104 1.00 0.00 N ATOM 1149 CA LYS A 81 3.189 12.048 10.312 1.00 0.00 C ATOM 1150 C LYS A 81 4.317 11.022 10.328 1.00 0.00 C ATOM 1151 O LYS A 81 4.340 10.181 9.444 1.00 0.00 O ATOM 1152 CB LYS A 81 2.273 11.942 11.539 1.00 0.00 C ATOM 1153 CG LYS A 81 1.652 10.541 11.707 1.00 0.00 C ATOM 1154 CD LYS A 81 0.488 10.543 12.705 1.00 0.00 C ATOM 1155 CE LYS A 81 0.899 11.026 14.099 1.00 0.00 C ATOM 1156 NZ LYS A 81 1.861 10.124 14.764 1.00 0.00 N ATOM 0 H LYS A 81 2.029 10.886 9.039 1.00 0.00 H new ATOM 0 HA LYS A 81 3.645 13.038 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.843 12.190 12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.475 12.680 11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.299 10.183 10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.418 9.843 12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.309 11.182 12.325 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.079 9.535 12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.339 12.020 14.018 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.009 11.121 14.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.010 10.437 15.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.485 9.154 14.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.766 10.144 14.253 1.00 0.00 H new ATOM 1170 N ASP A 82 5.230 11.045 11.296 1.00 0.00 N ATOM 1171 CA ASP A 82 6.303 10.084 11.525 1.00 0.00 C ATOM 1172 C ASP A 82 7.219 9.791 10.320 1.00 0.00 C ATOM 1173 O ASP A 82 7.972 8.813 10.329 1.00 0.00 O ATOM 1174 CB ASP A 82 5.737 8.774 12.097 1.00 0.00 C ATOM 1175 CG ASP A 82 5.001 8.748 13.436 1.00 0.00 C ATOM 1176 OD1 ASP A 82 4.438 9.778 13.875 1.00 0.00 O ATOM 1177 OD2 ASP A 82 4.888 7.628 13.992 1.00 0.00 O ATOM 0 H ASP A 82 5.239 11.791 11.991 1.00 0.00 H new ATOM 0 HA ASP A 82 6.954 10.574 12.249 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.054 8.370 11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.570 8.076 12.178 1.00 0.00 H new ATOM 1182 N GLY A 83 7.185 10.599 9.259 1.00 0.00 N ATOM 1183 CA GLY A 83 7.740 10.217 7.970 1.00 0.00 C ATOM 1184 C GLY A 83 7.127 8.915 7.449 1.00 0.00 C ATOM 1185 O GLY A 83 7.848 8.116 6.854 1.00 0.00 O ATOM 0 H GLY A 83 6.773 11.532 9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.565 11.015 7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.820 10.100 8.060 1.00 0.00 H new ATOM 1189 N LYS A 84 5.830 8.679 7.697 1.00 0.00 N ATOM 1190 CA LYS A 84 5.022 7.570 7.185 1.00 0.00 C ATOM 1191 C LYS A 84 3.586 7.998 6.855 1.00 0.00 C ATOM 1192 O LYS A 84 3.197 9.155 7.027 1.00 0.00 O ATOM 1193 CB LYS A 84 5.085 6.395 8.186 1.00 0.00 C ATOM 1194 CG LYS A 84 4.118 6.515 9.367 1.00 0.00 C ATOM 1195 CD LYS A 84 4.554 5.711 10.596 1.00 0.00 C ATOM 1196 CE LYS A 84 3.367 5.727 11.567 1.00 0.00 C ATOM 1197 NZ LYS A 84 3.722 5.351 12.946 1.00 0.00 N ATOM 0 H LYS A 84 5.287 9.298 8.298 1.00 0.00 H new ATOM 0 HA LYS A 84 5.439 7.235 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.874 5.468 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.102 6.317 8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.023 7.565 9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.130 6.178 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.816 4.690 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.438 6.153 11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.929 6.725 11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.600 5.045 11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.882 4.975 13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.465 4.624 12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.070 6.188 13.455 1.00 0.00 H new ATOM 1211 N LEU A 85 2.799 7.058 6.330 1.00 0.00 N ATOM 1212 CA LEU A 85 1.358 7.220 6.105 1.00 0.00 C ATOM 1213 C LEU A 85 0.641 6.816 7.399 1.00 0.00 C ATOM 1214 O LEU A 85 1.015 5.804 7.982 1.00 0.00 O ATOM 1215 CB LEU A 85 0.952 6.281 4.949 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.299 6.663 4.130 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -0.574 5.512 3.158 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -1.563 6.948 4.943 1.00 0.00 C ATOM 0 H LEU A 85 3.150 6.144 6.043 1.00 0.00 H new ATOM 0 HA LEU A 85 1.095 8.246 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.795 6.208 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.792 5.286 5.364 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.072 7.607 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.454 5.744 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.286 5.376 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.750 4.595 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.379 7.206 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.833 6.062 5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.378 7.779 5.623 1.00 0.00 H new ATOM 1230 N SER A 86 -0.410 7.512 7.835 1.00 0.00 N ATOM 1231 CA SER A 86 -1.358 6.960 8.804 1.00 0.00 C ATOM 1232 C SER A 86 -2.782 7.188 8.324 1.00 0.00 C ATOM 1233 O SER A 86 -3.052 8.202 7.681 1.00 0.00 O ATOM 1234 CB SER A 86 -1.133 7.553 10.197 1.00 0.00 C ATOM 1235 OG SER A 86 -0.976 8.962 10.199 1.00 0.00 O ATOM 0 H SER A 86 -0.627 8.461 7.532 1.00 0.00 H new ATOM 0 HA SER A 86 -1.191 5.886 8.884 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.977 7.290 10.835 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.246 7.097 10.637 1.00 0.00 H new ATOM 0 HG SER A 86 -1.025 9.298 9.280 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.683 6.270 8.665 1.00 0.00 N ATOM 1242 CA PHE A 87 -5.102 6.345 8.328 1.00 0.00 C ATOM 1243 C PHE A 87 -5.927 6.535 9.601 1.00 0.00 C ATOM 1244 O PHE A 87 -5.486 6.160 10.694 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.549 5.074 7.598 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.907 4.816 6.245 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -5.387 5.474 5.096 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -3.868 3.874 6.119 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -4.821 5.206 3.836 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -3.293 3.616 4.861 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.773 4.277 3.718 1.00 0.00 C ATOM 0 H PHE A 87 -3.441 5.433 9.196 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.260 7.197 7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.345 4.219 8.243 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.629 5.119 7.461 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.193 6.187 5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.511 3.347 6.992 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.192 5.715 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.481 2.909 4.774 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.338 4.072 2.751 1.00 0.00 H new ATOM 1261 N GLY A 88 -7.139 7.069 9.457 1.00 0.00 N ATOM 1262 CA GLY A 88 -8.081 7.291 10.546 1.00 0.00 C ATOM 1263 C GLY A 88 -8.965 6.065 10.801 1.00 0.00 C ATOM 1264 O GLY A 88 -8.588 4.924 10.521 1.00 0.00 O ATOM 0 H GLY A 88 -7.501 7.367 8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.532 7.537 11.455 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.711 8.149 10.311 1.00 0.00 H new ATOM 1268 N THR A 89 -10.160 6.303 11.340 1.00 0.00 N ATOM 1269 CA THR A 89 -11.243 5.340 11.506 1.00 0.00 C ATOM 1270 C THR A 89 -11.772 4.948 10.115 1.00 0.00 C ATOM 1271 O THR A 89 -12.655 5.612 9.564 1.00 0.00 O ATOM 1272 CB THR A 89 -12.354 5.964 12.385 1.00 0.00 C ATOM 1273 OG1 THR A 89 -11.847 6.930 13.294 1.00 0.00 O ATOM 1274 CG2 THR A 89 -13.106 4.909 13.182 1.00 0.00 C ATOM 0 H THR A 89 -10.411 7.227 11.692 1.00 0.00 H new ATOM 0 HA THR A 89 -10.888 4.440 12.007 1.00 0.00 H new ATOM 0 HB THR A 89 -13.034 6.452 11.686 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.584 7.297 13.826 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.876 5.389 13.785 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.571 4.199 12.498 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.410 4.382 13.835 1.00 0.00 H new ATOM 1282 N LEU A 90 -11.168 3.950 9.478 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.503 3.529 8.120 1.00 0.00 C ATOM 1284 C LEU A 90 -12.755 2.655 8.095 1.00 0.00 C ATOM 1285 O LEU A 90 -13.292 2.274 9.135 1.00 0.00 O ATOM 1286 CB LEU A 90 -10.312 2.757 7.541 1.00 0.00 C ATOM 1287 CG LEU A 90 -9.108 3.653 7.209 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -7.901 2.741 6.984 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -9.382 4.541 5.990 1.00 0.00 C ATOM 0 H LEU A 90 -10.418 3.400 9.898 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.712 4.414 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.002 1.994 8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.630 2.238 6.637 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.911 4.336 8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.027 3.347 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.707 2.164 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.108 2.061 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.508 5.160 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.593 3.914 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.241 5.181 6.192 1.00 0.00 H new ATOM 1301 N GLY A 91 -13.226 2.328 6.893 1.00 0.00 N ATOM 1302 CA GLY A 91 -14.279 1.353 6.654 1.00 0.00 C ATOM 1303 C GLY A 91 -14.916 1.594 5.289 1.00 0.00 C ATOM 1304 O GLY A 91 -14.510 2.514 4.571 1.00 0.00 O ATOM 0 H GLY A 91 -12.872 2.750 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.869 0.344 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.036 1.425 7.435 1.00 0.00 H new ATOM 1308 N GLY A 92 -15.894 0.763 4.929 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.501 0.706 3.609 1.00 0.00 C ATOM 1310 C GLY A 92 -17.935 0.213 3.690 1.00 0.00 C ATOM 1311 O GLY A 92 -18.827 0.935 4.147 1.00 0.00 O ATOM 0 H GLY A 92 -16.297 0.087 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.478 1.695 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.921 0.044 2.966 1.00 0.00 H new ATOM 1315 N THR A 93 -18.165 -0.997 3.204 1.00 0.00 N ATOM 1316 CA THR A 93 -19.452 -1.694 3.216 1.00 0.00 C ATOM 1317 C THR A 93 -19.174 -3.203 3.146 1.00 0.00 C ATOM 1318 O THR A 93 -18.117 -3.631 2.686 1.00 0.00 O ATOM 1319 CB THR A 93 -20.414 -1.174 2.126 1.00 0.00 C ATOM 1320 OG1 THR A 93 -21.475 -2.053 1.831 1.00 0.00 O ATOM 1321 CG2 THR A 93 -19.643 -0.800 0.887 1.00 0.00 C ATOM 0 H THR A 93 -17.427 -1.550 2.769 1.00 0.00 H new ATOM 0 HA THR A 93 -19.986 -1.487 4.144 1.00 0.00 H new ATOM 0 HB THR A 93 -20.892 -0.283 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.043 -1.659 1.136 1.00 0.00 H new ATOM 0 HG21 THR A 93 -20.332 -0.435 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 93 -18.922 -0.019 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 93 -19.115 -1.676 0.509 1.00 0.00 H new ATOM 1329 N ARG A 94 -20.134 -4.030 3.556 1.00 0.00 N ATOM 1330 CA ARG A 94 -20.013 -5.488 3.673 1.00 0.00 C ATOM 1331 C ARG A 94 -20.716 -6.175 2.505 1.00 0.00 C ATOM 1332 O ARG A 94 -21.345 -7.220 2.669 1.00 0.00 O ATOM 1333 CB ARG A 94 -20.532 -5.957 5.053 1.00 0.00 C ATOM 1334 CG ARG A 94 -19.726 -5.381 6.235 1.00 0.00 C ATOM 1335 CD ARG A 94 -18.937 -6.440 7.013 1.00 0.00 C ATOM 1336 NE ARG A 94 -19.721 -7.050 8.104 1.00 0.00 N ATOM 1337 CZ ARG A 94 -19.500 -8.248 8.665 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -18.649 -9.124 8.147 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -20.135 -8.597 9.774 1.00 0.00 N ATOM 0 H ARG A 94 -21.057 -3.692 3.828 1.00 0.00 H new ATOM 0 HA ARG A 94 -18.963 -5.775 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -21.577 -5.666 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -20.498 -7.046 5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.034 -4.628 5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -20.409 -4.875 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.610 -7.221 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.038 -5.984 7.428 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.506 -6.509 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.138 -8.895 7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.506 -10.026 8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -20.797 -7.953 10.207 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.962 -9.510 10.195 1.00 0.00 H new ATOM 1353 N MET A 95 -20.603 -5.587 1.315 1.00 0.00 N ATOM 1354 CA MET A 95 -21.147 -6.134 0.075 1.00 0.00 C ATOM 1355 C MET A 95 -20.524 -7.511 -0.196 1.00 0.00 C ATOM 1356 O MET A 95 -19.454 -7.824 0.335 1.00 0.00 O ATOM 1357 CB MET A 95 -20.869 -5.178 -1.100 1.00 0.00 C ATOM 1358 CG MET A 95 -21.033 -3.692 -0.745 1.00 0.00 C ATOM 1359 SD MET A 95 -20.755 -2.545 -2.105 1.00 0.00 S ATOM 1360 CE MET A 95 -18.953 -2.496 -2.027 1.00 0.00 C ATOM 0 H MET A 95 -20.120 -4.698 1.184 1.00 0.00 H new ATOM 0 HA MET A 95 -22.227 -6.245 0.177 1.00 0.00 H new ATOM 0 HB2 MET A 95 -19.854 -5.346 -1.460 1.00 0.00 H new ATOM 0 HB3 MET A 95 -21.543 -5.422 -1.921 1.00 0.00 H new ATOM 0 HG2 MET A 95 -22.040 -3.536 -0.359 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.341 -3.449 0.062 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.620 -1.460 -1.963 1.00 0.00 H new ATOM 0 HE2 MET A 95 -18.612 -3.042 -1.148 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.537 -2.956 -2.923 1.00 0.00 H new ATOM 1370 N ALA A 96 -21.143 -8.308 -1.067 1.00 0.00 N ATOM 1371 CA ALA A 96 -20.606 -9.589 -1.497 1.00 0.00 C ATOM 1372 C ALA A 96 -20.108 -9.457 -2.927 1.00 0.00 C ATOM 1373 O ALA A 96 -20.720 -8.744 -3.733 1.00 0.00 O ATOM 1374 CB ALA A 96 -21.688 -10.661 -1.427 1.00 0.00 C ATOM 0 H ALA A 96 -22.039 -8.076 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 96 -19.784 -9.879 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -21.275 -11.616 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -22.046 -10.750 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -22.517 -10.384 -2.078 1.00 0.00 H new ATOM 1380 N CYS A 97 -19.010 -10.155 -3.230 1.00 0.00 N ATOM 1381 CA CYS A 97 -18.405 -10.234 -4.539 1.00 0.00 C ATOM 1382 C CYS A 97 -18.224 -11.660 -5.022 1.00 0.00 C ATOM 1383 O CYS A 97 -18.054 -11.862 -6.221 1.00 0.00 O ATOM 1384 CB CYS A 97 -17.100 -9.457 -4.593 1.00 0.00 C ATOM 1385 SG CYS A 97 -17.107 -8.458 -6.053 1.00 0.00 S ATOM 0 H CYS A 97 -18.505 -10.700 -2.531 1.00 0.00 H new ATOM 0 HA CYS A 97 -19.105 -9.765 -5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -16.993 -8.832 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.251 -10.141 -4.605 1.00 0.00 H new ATOM 1390 N MET A 98 -18.319 -12.628 -4.111 1.00 0.00 N ATOM 1391 CA MET A 98 -18.071 -14.042 -4.333 1.00 0.00 C ATOM 1392 C MET A 98 -16.770 -14.294 -5.117 1.00 0.00 C ATOM 1393 O MET A 98 -16.742 -15.117 -6.034 1.00 0.00 O ATOM 1394 CB MET A 98 -19.345 -14.746 -4.841 1.00 0.00 C ATOM 1395 CG MET A 98 -19.803 -14.346 -6.249 1.00 0.00 C ATOM 1396 SD MET A 98 -21.285 -15.169 -6.868 1.00 0.00 S ATOM 1397 CE MET A 98 -22.545 -14.058 -6.203 1.00 0.00 C ATOM 0 H MET A 98 -18.586 -12.430 -3.147 1.00 0.00 H new ATOM 0 HA MET A 98 -17.860 -14.531 -3.382 1.00 0.00 H new ATOM 0 HB2 MET A 98 -19.175 -15.823 -4.825 1.00 0.00 H new ATOM 0 HB3 MET A 98 -20.156 -14.541 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 98 -19.979 -13.270 -6.260 1.00 0.00 H new ATOM 0 HG3 MET A 98 -18.986 -14.542 -6.944 1.00 0.00 H new ATOM 0 HE1 MET A 98 -23.534 -14.416 -6.490 1.00 0.00 H new ATOM 0 HE2 MET A 98 -22.470 -14.032 -5.116 1.00 0.00 H new ATOM 0 HE3 MET A 98 -22.392 -13.055 -6.601 1.00 0.00 H new ATOM 1407 N THR A 99 -15.695 -13.592 -4.741 1.00 0.00 N ATOM 1408 CA THR A 99 -14.351 -13.731 -5.305 1.00 0.00 C ATOM 1409 C THR A 99 -13.323 -13.826 -4.168 1.00 0.00 C ATOM 1410 O THR A 99 -13.567 -13.298 -3.074 1.00 0.00 O ATOM 1411 CB THR A 99 -14.012 -12.544 -6.241 1.00 0.00 C ATOM 1412 OG1 THR A 99 -14.050 -11.303 -5.557 1.00 0.00 O ATOM 1413 CG2 THR A 99 -14.962 -12.424 -7.425 1.00 0.00 C ATOM 0 H THR A 99 -15.741 -12.885 -4.007 1.00 0.00 H new ATOM 0 HA THR A 99 -14.317 -14.644 -5.900 1.00 0.00 H new ATOM 0 HB THR A 99 -13.006 -12.762 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.829 -10.579 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.670 -11.574 -8.041 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.918 -13.336 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.979 -12.277 -7.062 1.00 0.00 H new ATOM 1421 N PRO A 100 -12.130 -14.402 -4.412 1.00 0.00 N ATOM 1422 CA PRO A 100 -11.069 -14.405 -3.417 1.00 0.00 C ATOM 1423 C PRO A 100 -10.465 -13.011 -3.216 1.00 0.00 C ATOM 1424 O PRO A 100 -9.987 -12.713 -2.117 1.00 0.00 O ATOM 1425 CB PRO A 100 -10.028 -15.395 -3.930 1.00 0.00 C ATOM 1426 CG PRO A 100 -10.214 -15.389 -5.441 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.700 -15.087 -5.628 1.00 0.00 C ATOM 0 HA PRO A 100 -11.451 -14.694 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.019 -15.090 -3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.186 -16.390 -3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.590 -14.633 -5.917 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.943 -16.349 -5.881 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.863 -14.462 -6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.268 -16.005 -5.780 1.00 0.00 H new ATOM 1435 N GLY A 101 -10.496 -12.141 -4.233 1.00 0.00 N ATOM 1436 CA GLY A 101 -10.148 -10.741 -4.050 1.00 0.00 C ATOM 1437 C GLY A 101 -11.150 -10.087 -3.102 1.00 0.00 C ATOM 1438 O GLY A 101 -10.751 -9.289 -2.266 1.00 0.00 O ATOM 0 H GLY A 101 -10.759 -12.389 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.139 -10.656 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.151 -10.226 -5.011 1.00 0.00 H new ATOM 1442 N GLY A 102 -12.436 -10.445 -3.136 1.00 0.00 N ATOM 1443 CA GLY A 102 -13.457 -9.717 -2.401 1.00 0.00 C ATOM 1444 C GLY A 102 -13.245 -9.739 -0.894 1.00 0.00 C ATOM 1445 O GLY A 102 -13.536 -8.736 -0.236 1.00 0.00 O ATOM 0 H GLY A 102 -12.790 -11.239 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.473 -8.682 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.433 -10.144 -2.630 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.738 -10.844 -0.349 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.596 -11.001 1.093 1.00 0.00 C ATOM 1451 C GLN A 103 -11.288 -10.420 1.627 1.00 0.00 C ATOM 1452 O GLN A 103 -11.195 -10.196 2.836 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.768 -12.475 1.486 1.00 0.00 C ATOM 1454 CG GLN A 103 -14.219 -12.925 1.249 1.00 0.00 C ATOM 1455 CD GLN A 103 -14.698 -14.007 2.217 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -14.843 -15.175 1.865 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -14.970 -13.641 3.461 1.00 0.00 N ATOM 0 H GLN A 103 -12.418 -11.647 -0.891 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.390 -10.421 1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.088 -13.096 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.504 -12.612 2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.876 -12.059 1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.312 -13.297 0.229 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.847 -12.669 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.302 -14.331 4.135 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.318 -10.100 0.758 1.00 0.00 N ATOM 1467 CA ILE A 104 -9.035 -9.575 1.221 1.00 0.00 C ATOM 1468 C ILE A 104 -9.193 -8.169 1.820 1.00 0.00 C ATOM 1469 O ILE A 104 -8.269 -7.686 2.469 1.00 0.00 O ATOM 1470 CB ILE A 104 -7.971 -9.666 0.106 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.565 -9.734 0.738 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.051 -8.497 -0.893 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.487 -10.138 -0.263 1.00 0.00 C ATOM 0 H ILE A 104 -10.399 -10.195 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.669 -10.199 2.036 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.171 -10.575 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.315 -8.762 1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.576 -10.448 1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.279 -8.615 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.032 -8.492 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -7.899 -7.556 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.519 -10.169 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.718 -11.123 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.453 -9.411 -1.074 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.367 -7.540 1.666 1.00 0.00 N ATOM 1486 CA GLU A 105 -10.751 -6.344 2.408 1.00 0.00 C ATOM 1487 C GLU A 105 -10.407 -6.488 3.890 1.00 0.00 C ATOM 1488 O GLU A 105 -9.739 -5.632 4.468 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.268 -6.130 2.266 1.00 0.00 C ATOM 1490 CG GLU A 105 -12.706 -4.822 2.941 1.00 0.00 C ATOM 1491 CD GLU A 105 -12.146 -3.659 2.134 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -12.679 -3.405 1.033 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -11.084 -3.132 2.514 1.00 0.00 O ATOM 0 H GLU A 105 -11.082 -7.857 1.012 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.204 -5.493 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.538 -6.106 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.800 -6.970 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.793 -4.764 2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.341 -4.783 3.967 1.00 0.00 H new ATOM 1500 N GLY A 106 -10.841 -7.598 4.497 1.00 0.00 N ATOM 1501 CA GLY A 106 -10.697 -7.803 5.923 1.00 0.00 C ATOM 1502 C GLY A 106 -9.236 -7.747 6.347 1.00 0.00 C ATOM 1503 O GLY A 106 -8.938 -7.170 7.393 1.00 0.00 O ATOM 0 H GLY A 106 -11.297 -8.368 4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.263 -7.042 6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.121 -8.769 6.198 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.337 -8.309 5.528 1.00 0.00 N ATOM 1508 CA ALA A 107 -6.905 -8.252 5.752 1.00 0.00 C ATOM 1509 C ALA A 107 -6.390 -6.833 5.522 1.00 0.00 C ATOM 1510 O ALA A 107 -5.565 -6.347 6.287 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.197 -9.229 4.804 1.00 0.00 C ATOM 0 H ALA A 107 -8.597 -8.820 4.684 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.694 -8.535 6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.121 -9.185 4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.553 -10.242 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.413 -8.955 3.771 1.00 0.00 H new ATOM 1517 N TYR A 108 -6.806 -6.187 4.434 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.266 -4.910 3.996 1.00 0.00 C ATOM 1519 C TYR A 108 -6.547 -3.817 5.026 1.00 0.00 C ATOM 1520 O TYR A 108 -5.627 -3.087 5.396 1.00 0.00 O ATOM 1521 CB TYR A 108 -6.840 -4.584 2.618 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.293 -3.323 1.976 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -4.935 -3.245 1.603 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -7.145 -2.229 1.741 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -4.435 -2.085 0.982 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -6.652 -1.069 1.118 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.293 -0.990 0.733 1.00 0.00 C ATOM 1528 OH TYR A 108 -4.794 0.132 0.140 1.00 0.00 O ATOM 0 H TYR A 108 -7.541 -6.546 3.825 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.181 -4.969 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.647 -5.425 1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.922 -4.489 2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.276 -4.079 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -8.181 -2.280 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.395 -2.032 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -7.313 -0.235 0.933 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.516 0.781 0.008 1.00 0.00 H new ATOM 1538 N LEU A 109 -7.767 -3.727 5.565 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.039 -2.788 6.654 1.00 0.00 C ATOM 1540 C LEU A 109 -7.190 -3.157 7.887 1.00 0.00 C ATOM 1541 O LEU A 109 -6.680 -2.251 8.545 1.00 0.00 O ATOM 1542 CB LEU A 109 -9.543 -2.753 7.007 1.00 0.00 C ATOM 1543 CG LEU A 109 -10.502 -2.324 5.875 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -11.938 -2.254 6.412 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -10.136 -0.967 5.259 1.00 0.00 C ATOM 0 H LEU A 109 -8.569 -4.284 5.270 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.763 -1.787 6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.838 -3.746 7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.681 -2.074 7.848 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.414 -3.075 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.612 -1.951 5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -12.235 -3.234 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.988 -1.527 7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.847 -0.722 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.169 -0.197 6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.131 -1.017 4.839 1.00 0.00 H new ATOM 1557 N ASN A 110 -6.968 -4.453 8.162 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.101 -4.954 9.248 1.00 0.00 C ATOM 1559 C ASN A 110 -4.626 -4.599 9.052 1.00 0.00 C ATOM 1560 O ASN A 110 -3.822 -4.755 9.968 1.00 0.00 O ATOM 1561 CB ASN A 110 -6.161 -6.493 9.324 1.00 0.00 C ATOM 1562 CG ASN A 110 -6.026 -7.097 10.718 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -6.753 -8.030 11.048 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -5.081 -6.655 11.538 1.00 0.00 N ATOM 0 H ASN A 110 -7.397 -5.204 7.622 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.478 -4.479 10.154 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.108 -6.822 8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.369 -6.900 8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.954 -7.091 12.451 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -4.482 -5.879 11.255 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.248 -4.240 7.832 1.00 0.00 N ATOM 1572 CA ALA A 111 -2.903 -3.834 7.468 1.00 0.00 C ATOM 1573 C ALA A 111 -2.769 -2.313 7.511 1.00 0.00 C ATOM 1574 O ALA A 111 -1.707 -1.794 7.852 1.00 0.00 O ATOM 1575 CB ALA A 111 -2.601 -4.388 6.072 1.00 0.00 C ATOM 0 H ALA A 111 -4.895 -4.224 7.043 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.180 -4.233 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.594 -4.096 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.674 -5.475 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.321 -3.987 5.358 1.00 0.00 H new ATOM 1581 N LEU A 112 -3.842 -1.592 7.185 1.00 0.00 N ATOM 1582 CA LEU A 112 -3.936 -0.136 7.243 1.00 0.00 C ATOM 1583 C LEU A 112 -3.798 0.395 8.678 1.00 0.00 C ATOM 1584 O LEU A 112 -3.446 1.560 8.873 1.00 0.00 O ATOM 1585 CB LEU A 112 -5.282 0.285 6.614 1.00 0.00 C ATOM 1586 CG LEU A 112 -5.289 0.600 5.101 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -4.188 -0.043 4.251 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -6.624 0.282 4.433 1.00 0.00 C ATOM 0 H LEU A 112 -4.705 -2.027 6.860 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.110 0.300 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.003 -0.512 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.641 1.167 7.144 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.094 1.672 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.308 0.259 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.212 0.282 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.259 -1.128 4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.567 0.524 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.847 -0.778 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.413 0.873 4.898 1.00 0.00 H new ATOM 1600 N THR A 113 -4.049 -0.434 9.688 1.00 0.00 N ATOM 1601 CA THR A 113 -3.916 -0.108 11.105 1.00 0.00 C ATOM 1602 C THR A 113 -2.475 -0.218 11.607 1.00 0.00 C ATOM 1603 O THR A 113 -2.191 0.226 12.726 1.00 0.00 O ATOM 1604 CB THR A 113 -4.805 -1.073 11.901 1.00 0.00 C ATOM 1605 OG1 THR A 113 -4.644 -2.369 11.378 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.267 -0.679 11.763 1.00 0.00 C ATOM 0 H THR A 113 -4.364 -1.392 9.535 1.00 0.00 H new ATOM 0 HA THR A 113 -4.221 0.929 11.244 1.00 0.00 H new ATOM 0 HB THR A 113 -4.518 -1.037 12.952 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.206 -2.996 11.879 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.886 -1.372 12.333 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.409 0.332 12.145 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.556 -0.714 10.713 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.551 -0.761 10.813 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.177 -1.015 11.212 1.00 0.00 C ATOM 1616 C HIS A 114 0.735 -0.512 10.103 1.00 0.00 C ATOM 1617 O HIS A 114 1.427 -1.304 9.465 1.00 0.00 O ATOM 1618 CB HIS A 114 0.024 -2.514 11.479 1.00 0.00 C ATOM 1619 CG HIS A 114 -0.671 -3.046 12.701 1.00 0.00 C ATOM 1620 ND1 HIS A 114 -0.146 -3.120 13.975 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -1.878 -3.687 12.703 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -1.001 -3.839 14.721 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.078 -4.190 13.992 1.00 0.00 N ATOM 0 H HIS A 114 -1.748 -1.041 9.852 1.00 0.00 H new ATOM 0 HA HIS A 114 0.063 -0.490 12.137 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.326 -3.071 10.610 1.00 0.00 H new ATOM 0 HB3 HIS A 114 1.092 -2.710 11.574 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.552 -3.786 11.865 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -0.847 -4.099 15.758 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -2.885 -4.721 14.318 1.00 0.00 H new ATOM 1631 N ILE A 115 0.759 0.798 9.868 1.00 0.00 N ATOM 1632 CA ILE A 115 1.831 1.407 9.107 1.00 0.00 C ATOM 1633 C ILE A 115 2.873 1.747 10.172 1.00 0.00 C ATOM 1634 O ILE A 115 3.019 2.905 10.559 1.00 0.00 O ATOM 1635 CB ILE A 115 1.356 2.645 8.306 1.00 0.00 C ATOM 1636 CG1 ILE A 115 -0.066 2.574 7.708 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.407 2.931 7.217 1.00 0.00 C ATOM 1638 CD1 ILE A 115 -0.375 1.328 6.881 1.00 0.00 C ATOM 0 H ILE A 115 0.047 1.451 10.195 1.00 0.00 H new ATOM 0 HA ILE A 115 2.230 0.749 8.335 1.00 0.00 H new ATOM 0 HB ILE A 115 1.271 3.463 9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.787 2.634 8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.221 3.452 7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.100 3.800 6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.371 3.130 7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.495 2.066 6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.399 1.382 6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.314 1.271 6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.261 0.441 7.504 1.00 0.00 H new ATOM 1650 N ASP A 116 3.523 0.736 10.752 1.00 0.00 N ATOM 1651 CA ASP A 116 4.550 1.038 11.746 1.00 0.00 C ATOM 1652 C ASP A 116 5.782 1.587 11.037 1.00 0.00 C ATOM 1653 O ASP A 116 6.322 2.615 11.444 1.00 0.00 O ATOM 1654 CB ASP A 116 4.918 -0.161 12.614 1.00 0.00 C ATOM 1655 CG ASP A 116 5.738 0.354 13.801 1.00 0.00 C ATOM 1656 OD1 ASP A 116 5.131 0.895 14.763 1.00 0.00 O ATOM 1657 OD2 ASP A 116 6.978 0.265 13.724 1.00 0.00 O ATOM 0 H ASP A 116 3.367 -0.254 10.562 1.00 0.00 H new ATOM 0 HA ASP A 116 4.141 1.785 12.427 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.020 -0.670 12.963 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.493 -0.887 12.039 1.00 0.00 H new ATOM 1662 N ARG A 117 6.174 0.937 9.938 1.00 0.00 N ATOM 1663 CA ARG A 117 7.317 1.275 9.099 1.00 0.00 C ATOM 1664 C ARG A 117 6.850 1.524 7.665 1.00 0.00 C ATOM 1665 O ARG A 117 5.697 1.254 7.308 1.00 0.00 O ATOM 1666 CB ARG A 117 8.366 0.160 9.179 1.00 0.00 C ATOM 1667 CG ARG A 117 9.133 0.156 10.504 1.00 0.00 C ATOM 1668 CD ARG A 117 10.330 -0.799 10.411 1.00 0.00 C ATOM 1669 NE ARG A 117 9.898 -2.189 10.216 1.00 0.00 N ATOM 1670 CZ ARG A 117 10.663 -3.258 9.992 1.00 0.00 C ATOM 1671 NH1 ARG A 117 11.964 -3.127 9.781 1.00 0.00 N ATOM 1672 NH2 ARG A 117 10.101 -4.460 9.963 1.00 0.00 N ATOM 0 H ARG A 117 5.673 0.118 9.595 1.00 0.00 H new ATOM 0 HA ARG A 117 7.784 2.193 9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.875 -0.804 9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.072 0.273 8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.478 1.163 10.738 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.473 -0.152 11.315 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.973 -0.498 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.926 -0.727 11.321 1.00 0.00 H new ATOM 0 HE ARG A 117 8.893 -2.357 10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.391 -2.201 9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.539 -3.952 9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.096 -4.557 10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.674 -5.287 9.793 1.00 0.00 H new ATOM 1686 N THR A 118 7.717 2.076 6.816 1.00 0.00 N ATOM 1687 CA THR A 118 7.272 2.582 5.527 1.00 0.00 C ATOM 1688 C THR A 118 8.508 2.770 4.622 1.00 0.00 C ATOM 1689 O THR A 118 9.649 2.758 5.107 1.00 0.00 O ATOM 1690 CB THR A 118 6.526 3.897 5.826 1.00 0.00 C ATOM 1691 OG1 THR A 118 5.553 4.169 4.846 1.00 0.00 O ATOM 1692 CG2 THR A 118 7.486 5.082 5.887 1.00 0.00 C ATOM 0 H THR A 118 8.715 2.181 6.997 1.00 0.00 H new ATOM 0 HA THR A 118 6.602 1.907 4.995 1.00 0.00 H new ATOM 0 HB THR A 118 6.045 3.764 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.095 5.008 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 118 6.926 5.993 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 118 8.220 4.915 6.675 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.998 5.185 4.930 1.00 0.00 H new ATOM 1700 N GLY A 119 8.299 3.051 3.334 1.00 0.00 N ATOM 1701 CA GLY A 119 9.361 3.345 2.391 1.00 0.00 C ATOM 1702 C GLY A 119 8.775 3.677 1.024 1.00 0.00 C ATOM 1703 O GLY A 119 8.364 2.782 0.294 1.00 0.00 O ATOM 0 H GLY A 119 7.368 3.079 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.956 4.183 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 119 10.032 2.490 2.309 1.00 0.00 H new ATOM 1707 N VAL A 120 8.747 4.951 0.635 1.00 0.00 N ATOM 1708 CA VAL A 120 8.213 5.380 -0.657 1.00 0.00 C ATOM 1709 C VAL A 120 9.343 5.927 -1.521 1.00 0.00 C ATOM 1710 O VAL A 120 10.283 6.564 -1.032 1.00 0.00 O ATOM 1711 CB VAL A 120 7.017 6.332 -0.473 1.00 0.00 C ATOM 1712 CG1 VAL A 120 7.271 7.443 0.545 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.537 6.938 -1.803 1.00 0.00 C ATOM 0 H VAL A 120 9.096 5.718 1.210 1.00 0.00 H new ATOM 0 HA VAL A 120 7.802 4.529 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 120 6.224 5.700 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.386 8.075 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 120 7.489 7.002 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 120 8.120 8.046 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 120 5.692 7.601 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 120 7.349 7.504 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.229 6.139 -2.477 1.00 0.00 H new ATOM 1723 N GLN A 121 9.256 5.643 -2.816 1.00 0.00 N ATOM 1724 CA GLN A 121 10.271 5.900 -3.808 1.00 0.00 C ATOM 1725 C GLN A 121 9.641 6.820 -4.855 1.00 0.00 C ATOM 1726 O GLN A 121 9.214 6.375 -5.922 1.00 0.00 O ATOM 1727 CB GLN A 121 10.728 4.544 -4.357 1.00 0.00 C ATOM 1728 CG GLN A 121 11.937 4.675 -5.292 1.00 0.00 C ATOM 1729 CD GLN A 121 12.110 3.466 -6.219 1.00 0.00 C ATOM 1730 OE1 GLN A 121 11.019 2.921 -6.723 1.00 0.00 O flip ATOM 1731 NE2 GLN A 121 13.224 3.031 -6.497 1.00 0.00 N flip ATOM 0 H GLN A 121 8.426 5.203 -3.214 1.00 0.00 H new ATOM 0 HA GLN A 121 11.159 6.401 -3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 121 10.983 3.885 -3.527 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.904 4.075 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.827 5.576 -5.895 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.840 4.800 -4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 121 14.056 3.466 -6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 121 13.318 2.235 -7.128 1.00 0.00 H new ATOM 1740 N MET A 122 9.546 8.119 -4.556 1.00 0.00 N ATOM 1741 CA MET A 122 9.140 9.125 -5.523 1.00 0.00 C ATOM 1742 C MET A 122 10.309 9.415 -6.479 1.00 0.00 C ATOM 1743 O MET A 122 10.821 10.534 -6.555 1.00 0.00 O ATOM 1744 CB MET A 122 8.632 10.370 -4.779 1.00 0.00 C ATOM 1745 CG MET A 122 7.994 11.350 -5.766 1.00 0.00 C ATOM 1746 SD MET A 122 7.101 12.721 -5.017 1.00 0.00 S ATOM 1747 CE MET A 122 5.597 11.807 -4.635 1.00 0.00 C ATOM 0 H MET A 122 9.751 8.497 -3.631 1.00 0.00 H new ATOM 0 HA MET A 122 8.314 8.768 -6.138 1.00 0.00 H new ATOM 0 HB2 MET A 122 7.904 10.079 -4.022 1.00 0.00 H new ATOM 0 HB3 MET A 122 9.458 10.853 -4.257 1.00 0.00 H new ATOM 0 HG2 MET A 122 8.776 11.755 -6.408 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.308 10.798 -6.409 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.867 12.480 -4.185 1.00 0.00 H new ATOM 0 HE2 MET A 122 5.185 11.385 -5.552 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.828 11.002 -3.937 1.00 0.00 H new ATOM 1757 N ARG A 123 10.745 8.417 -7.247 1.00 0.00 N ATOM 1758 CA ARG A 123 11.795 8.562 -8.245 1.00 0.00 C ATOM 1759 C ARG A 123 11.448 7.599 -9.366 1.00 0.00 C ATOM 1760 O ARG A 123 11.569 6.400 -9.146 1.00 0.00 O ATOM 1761 CB ARG A 123 13.150 8.227 -7.593 1.00 0.00 C ATOM 1762 CG ARG A 123 14.340 8.637 -8.474 1.00 0.00 C ATOM 1763 CD ARG A 123 14.676 10.136 -8.400 1.00 0.00 C ATOM 1764 NE ARG A 123 15.240 10.478 -7.087 1.00 0.00 N ATOM 1765 CZ ARG A 123 15.152 11.612 -6.387 1.00 0.00 C ATOM 1766 NH1 ARG A 123 14.583 12.704 -6.877 1.00 0.00 N ATOM 1767 NH2 ARG A 123 15.678 11.644 -5.167 1.00 0.00 N ATOM 0 H ARG A 123 10.370 7.470 -7.189 1.00 0.00 H new ATOM 0 HA ARG A 123 11.870 9.575 -8.639 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.222 8.733 -6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.200 7.156 -7.394 1.00 0.00 H new ATOM 0 HG2 ARG A 123 15.217 8.062 -8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 123 14.123 8.373 -9.509 1.00 0.00 H new ATOM 0 HD2 ARG A 123 15.387 10.393 -9.185 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.776 10.725 -8.579 1.00 0.00 H new ATOM 0 HE ARG A 123 15.781 9.736 -6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.193 12.697 -7.820 1.00 0.00 H new ATOM 0 HH12 ARG A 123 14.535 13.552 -6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 123 16.135 10.815 -4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 123 15.625 12.497 -4.611 1.00 0.00 H new ATOM 1781 N ALA A 124 10.948 8.087 -10.508 1.00 0.00 N ATOM 1782 CA ALA A 124 10.538 7.261 -11.633 1.00 0.00 C ATOM 1783 C ALA A 124 11.600 6.193 -11.913 1.00 0.00 C ATOM 1784 O ALA A 124 12.754 6.573 -12.096 1.00 0.00 O ATOM 1785 CB ALA A 124 10.313 8.119 -12.874 1.00 0.00 C ATOM 0 H ALA A 124 10.818 9.085 -10.671 1.00 0.00 H new ATOM 0 HA ALA A 124 9.599 6.769 -11.380 1.00 0.00 H new ATOM 0 HB1 ALA A 124 10.007 7.484 -13.705 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.533 8.853 -12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.238 8.634 -13.133 1.00 0.00 H new ATOM 1791 N PRO A 125 11.253 4.897 -11.952 1.00 0.00 N ATOM 1792 CA PRO A 125 9.905 4.355 -11.823 1.00 0.00 C ATOM 1793 C PRO A 125 9.393 4.454 -10.386 1.00 0.00 C ATOM 1794 O PRO A 125 10.048 3.980 -9.461 1.00 0.00 O ATOM 1795 CB PRO A 125 10.026 2.888 -12.254 1.00 0.00 C ATOM 1796 CG PRO A 125 11.465 2.539 -11.872 1.00 0.00 C ATOM 1797 CD PRO A 125 12.220 3.833 -12.145 1.00 0.00 C ATOM 0 HA PRO A 125 9.192 4.910 -12.432 1.00 0.00 H new ATOM 0 HB2 PRO A 125 9.305 2.254 -11.737 1.00 0.00 H new ATOM 0 HB3 PRO A 125 9.850 2.765 -13.323 1.00 0.00 H new ATOM 0 HG2 PRO A 125 11.543 2.240 -10.827 1.00 0.00 H new ATOM 0 HG3 PRO A 125 11.851 1.713 -12.470 1.00 0.00 H new ATOM 0 HD2 PRO A 125 13.066 3.944 -11.466 1.00 0.00 H new ATOM 0 HD3 PRO A 125 12.621 3.847 -13.159 1.00 0.00 H new ATOM 1805 N GLN A 126 8.242 5.098 -10.186 1.00 0.00 N ATOM 1806 CA GLN A 126 7.722 5.322 -8.850 1.00 0.00 C ATOM 1807 C GLN A 126 7.059 4.052 -8.334 1.00 0.00 C ATOM 1808 O GLN A 126 6.231 3.452 -9.019 1.00 0.00 O ATOM 1809 CB GLN A 126 6.741 6.490 -8.815 1.00 0.00 C ATOM 1810 CG GLN A 126 7.379 7.838 -9.193 1.00 0.00 C ATOM 1811 CD GLN A 126 6.460 9.008 -8.849 1.00 0.00 C ATOM 1812 OE1 GLN A 126 5.286 8.845 -8.561 1.00 0.00 O ATOM 1813 NE2 GLN A 126 6.954 10.226 -8.771 1.00 0.00 N ATOM 0 H GLN A 126 7.658 5.470 -10.935 1.00 0.00 H new ATOM 0 HA GLN A 126 8.558 5.581 -8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 126 5.917 6.283 -9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.315 6.566 -7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.328 7.953 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 126 7.601 7.850 -10.260 1.00 0.00 H new ATOM 0 HE21 GLN A 126 7.932 10.396 -9.005 1.00 0.00 H new ATOM 0 HE22 GLN A 126 6.359 11.000 -8.476 1.00 0.00 H new ATOM 1822 N GLN A 127 7.358 3.703 -7.089 1.00 0.00 N ATOM 1823 CA GLN A 127 6.591 2.754 -6.300 1.00 0.00 C ATOM 1824 C GLN A 127 6.563 3.293 -4.869 1.00 0.00 C ATOM 1825 O GLN A 127 7.356 4.160 -4.480 1.00 0.00 O ATOM 1826 CB GLN A 127 7.167 1.318 -6.388 1.00 0.00 C ATOM 1827 CG GLN A 127 6.735 0.576 -7.672 1.00 0.00 C ATOM 1828 CD GLN A 127 7.058 -0.926 -7.699 1.00 0.00 C ATOM 1829 OE1 GLN A 127 8.168 -1.374 -7.396 1.00 0.00 O ATOM 1830 NE2 GLN A 127 6.109 -1.770 -8.079 1.00 0.00 N ATOM 0 H GLN A 127 8.162 4.083 -6.589 1.00 0.00 H new ATOM 0 HA GLN A 127 5.576 2.663 -6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 127 8.255 1.365 -6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.842 0.748 -5.518 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.660 0.703 -7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 127 7.217 1.051 -8.527 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.186 -1.419 -8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.302 -2.771 -8.117 1.00 0.00 H new ATOM 1839 N MET A 128 5.632 2.784 -4.081 1.00 0.00 N ATOM 1840 CA MET A 128 5.493 3.022 -2.658 1.00 0.00 C ATOM 1841 C MET A 128 5.433 1.649 -2.000 1.00 0.00 C ATOM 1842 O MET A 128 4.967 0.689 -2.616 1.00 0.00 O ATOM 1843 CB MET A 128 4.253 3.881 -2.413 1.00 0.00 C ATOM 1844 CG MET A 128 3.997 4.145 -0.927 1.00 0.00 C ATOM 1845 SD MET A 128 2.785 3.036 -0.202 1.00 0.00 S ATOM 1846 CE MET A 128 1.354 3.744 -1.045 1.00 0.00 C ATOM 0 H MET A 128 4.912 2.157 -4.440 1.00 0.00 H new ATOM 0 HA MET A 128 6.326 3.578 -2.228 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.368 4.833 -2.932 1.00 0.00 H new ATOM 0 HB3 MET A 128 3.383 3.386 -2.844 1.00 0.00 H new ATOM 0 HG2 MET A 128 4.936 4.051 -0.382 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.658 5.173 -0.802 1.00 0.00 H new ATOM 0 HE1 MET A 128 0.452 3.532 -0.471 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.482 4.823 -1.135 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.263 3.305 -2.039 1.00 0.00 H new ATOM 1856 N GLN A 129 5.950 1.524 -0.781 1.00 0.00 N ATOM 1857 CA GLN A 129 6.105 0.240 -0.134 1.00 0.00 C ATOM 1858 C GLN A 129 5.890 0.439 1.367 1.00 0.00 C ATOM 1859 O GLN A 129 6.511 1.322 1.964 1.00 0.00 O ATOM 1860 CB GLN A 129 7.506 -0.298 -0.478 1.00 0.00 C ATOM 1861 CG GLN A 129 7.579 -1.821 -0.374 1.00 0.00 C ATOM 1862 CD GLN A 129 9.015 -2.286 -0.155 1.00 0.00 C ATOM 1863 OE1 GLN A 129 9.593 -2.035 0.905 1.00 0.00 O ATOM 1864 NE2 GLN A 129 9.619 -2.974 -1.107 1.00 0.00 N ATOM 0 H GLN A 129 6.271 2.314 -0.221 1.00 0.00 H new ATOM 0 HA GLN A 129 5.377 -0.495 -0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.773 0.009 -1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 129 8.240 0.146 0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.953 -2.163 0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 129 7.182 -2.271 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 129 9.130 -3.175 -1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 129 10.574 -3.304 -0.970 1.00 0.00 H new ATOM 1873 N LEU A 130 5.015 -0.343 1.997 1.00 0.00 N ATOM 1874 CA LEU A 130 4.709 -0.210 3.427 1.00 0.00 C ATOM 1875 C LEU A 130 5.181 -1.457 4.155 1.00 0.00 C ATOM 1876 O LEU A 130 5.169 -2.534 3.559 1.00 0.00 O ATOM 1877 CB LEU A 130 3.203 0.004 3.658 1.00 0.00 C ATOM 1878 CG LEU A 130 2.616 1.210 2.905 1.00 0.00 C ATOM 1879 CD1 LEU A 130 1.107 1.278 3.131 1.00 0.00 C ATOM 1880 CD2 LEU A 130 3.245 2.542 3.329 1.00 0.00 C ATOM 0 H LEU A 130 4.496 -1.088 1.533 1.00 0.00 H new ATOM 0 HA LEU A 130 5.230 0.665 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.668 -0.896 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.025 0.134 4.725 1.00 0.00 H new ATOM 0 HG LEU A 130 2.842 1.061 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.697 2.134 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.642 0.363 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.903 1.385 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.790 3.355 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.076 2.702 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.317 2.517 3.132 1.00 0.00 H new ATOM 1892 N VAL A 131 5.537 -1.324 5.434 1.00 0.00 N ATOM 1893 CA VAL A 131 6.051 -2.409 6.260 1.00 0.00 C ATOM 1894 C VAL A 131 5.207 -2.452 7.527 1.00 0.00 C ATOM 1895 O VAL A 131 5.147 -1.481 8.288 1.00 0.00 O ATOM 1896 CB VAL A 131 7.549 -2.215 6.549 1.00 0.00 C ATOM 1897 CG1 VAL A 131 8.092 -3.264 7.525 1.00 0.00 C ATOM 1898 CG2 VAL A 131 8.399 -2.336 5.291 1.00 0.00 C ATOM 0 H VAL A 131 5.473 -0.436 5.932 1.00 0.00 H new ATOM 0 HA VAL A 131 5.975 -3.367 5.745 1.00 0.00 H new ATOM 0 HB VAL A 131 7.618 -1.213 6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.153 -3.085 7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.554 -3.195 8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.956 -4.259 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 131 9.449 -2.191 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 131 8.264 -3.326 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 131 8.093 -1.577 4.571 1.00 0.00 H new ATOM 1908 N LEU A 132 4.514 -3.570 7.729 1.00 0.00 N ATOM 1909 CA LEU A 132 3.669 -3.737 8.905 1.00 0.00 C ATOM 1910 C LEU A 132 4.511 -3.843 10.166 1.00 0.00 C ATOM 1911 O LEU A 132 5.720 -4.066 10.121 1.00 0.00 O ATOM 1912 CB LEU A 132 2.733 -4.952 8.772 1.00 0.00 C ATOM 1913 CG LEU A 132 1.369 -4.578 8.166 1.00 0.00 C ATOM 1914 CD1 LEU A 132 1.506 -3.975 6.767 1.00 0.00 C ATOM 1915 CD2 LEU A 132 0.458 -5.809 8.167 1.00 0.00 C ATOM 0 H LEU A 132 4.522 -4.370 7.096 1.00 0.00 H new ATOM 0 HA LEU A 132 3.042 -2.849 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.210 -5.708 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.581 -5.399 9.754 1.00 0.00 H new ATOM 0 HG LEU A 132 0.916 -3.803 8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.518 -3.727 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 132 2.113 -3.071 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.984 -4.697 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.509 -5.546 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.915 -6.601 7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.318 -6.157 9.190 1.00 0.00 H new ATOM 1927 N ASP A 133 3.839 -3.773 11.309 1.00 0.00 N ATOM 1928 CA ASP A 133 4.397 -4.011 12.641 1.00 0.00 C ATOM 1929 C ASP A 133 5.109 -5.369 12.734 1.00 0.00 C ATOM 1930 O ASP A 133 6.138 -5.491 13.386 1.00 0.00 O ATOM 1931 CB ASP A 133 3.251 -3.921 13.648 1.00 0.00 C ATOM 1932 CG ASP A 133 3.748 -4.010 15.085 1.00 0.00 C ATOM 1933 OD1 ASP A 133 4.257 -2.985 15.586 1.00 0.00 O ATOM 1934 OD2 ASP A 133 3.513 -5.059 15.725 1.00 0.00 O ATOM 0 H ASP A 133 2.847 -3.539 11.337 1.00 0.00 H new ATOM 0 HA ASP A 133 5.155 -3.259 12.857 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.717 -2.982 13.506 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.539 -4.724 13.460 1.00 0.00 H new ATOM 1939 N ASN A 134 4.619 -6.379 12.007 1.00 0.00 N ATOM 1940 CA ASN A 134 5.266 -7.686 11.903 1.00 0.00 C ATOM 1941 C ASN A 134 6.359 -7.706 10.828 1.00 0.00 C ATOM 1942 O ASN A 134 7.322 -8.465 10.953 1.00 0.00 O ATOM 1943 CB ASN A 134 4.229 -8.783 11.627 1.00 0.00 C ATOM 1944 CG ASN A 134 3.417 -8.517 10.372 1.00 0.00 C ATOM 1945 OD1 ASN A 134 3.926 -8.587 9.267 1.00 0.00 O ATOM 1946 ND2 ASN A 134 2.165 -8.119 10.496 1.00 0.00 N ATOM 0 H ASN A 134 3.754 -6.309 11.470 1.00 0.00 H new ATOM 0 HA ASN A 134 5.746 -7.883 12.862 1.00 0.00 H new ATOM 0 HB2 ASN A 134 4.738 -9.742 11.530 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.556 -8.864 12.480 1.00 0.00 H new ATOM 0 HD21 ASN A 134 1.624 -7.870 9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 134 1.738 -8.060 11.420 1.00 0.00 H new ATOM 1953 N GLY A 135 6.257 -6.866 9.793 1.00 0.00 N ATOM 1954 CA GLY A 135 7.220 -6.764 8.708 1.00 0.00 C ATOM 1955 C GLY A 135 6.649 -6.999 7.305 1.00 0.00 C ATOM 1956 O GLY A 135 7.403 -6.838 6.341 1.00 0.00 O ATOM 0 H GLY A 135 5.474 -6.220 9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 135 7.673 -5.773 8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.019 -7.485 8.883 1.00 0.00 H new ATOM 1960 N ASP A 136 5.369 -7.377 7.166 1.00 0.00 N ATOM 1961 CA ASP A 136 4.709 -7.644 5.879 1.00 0.00 C ATOM 1962 C ASP A 136 4.922 -6.445 4.960 1.00 0.00 C ATOM 1963 O ASP A 136 4.636 -5.314 5.350 1.00 0.00 O ATOM 1964 CB ASP A 136 3.186 -7.860 5.990 1.00 0.00 C ATOM 1965 CG ASP A 136 2.671 -9.152 6.628 1.00 0.00 C ATOM 1966 OD1 ASP A 136 3.408 -10.154 6.749 1.00 0.00 O ATOM 1967 OD2 ASP A 136 1.449 -9.190 6.912 1.00 0.00 O ATOM 0 H ASP A 136 4.749 -7.509 7.965 1.00 0.00 H new ATOM 0 HA ASP A 136 5.152 -8.563 5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 136 2.774 -7.025 6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 136 2.770 -7.799 4.985 1.00 0.00 H new ATOM 1972 N THR A 137 5.422 -6.687 3.752 1.00 0.00 N ATOM 1973 CA THR A 137 5.876 -5.669 2.821 1.00 0.00 C ATOM 1974 C THR A 137 4.842 -5.518 1.695 1.00 0.00 C ATOM 1975 O THR A 137 4.811 -6.327 0.763 1.00 0.00 O ATOM 1976 CB THR A 137 7.276 -6.047 2.304 1.00 0.00 C ATOM 1977 OG1 THR A 137 8.090 -6.627 3.313 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.987 -4.829 1.728 1.00 0.00 C ATOM 0 H THR A 137 5.524 -7.633 3.385 1.00 0.00 H new ATOM 0 HA THR A 137 5.963 -4.699 3.310 1.00 0.00 H new ATOM 0 HB THR A 137 7.123 -6.792 1.523 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.967 -6.851 2.937 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.974 -5.120 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.404 -4.425 0.900 1.00 0.00 H new ATOM 0 HG23 THR A 137 8.092 -4.069 2.502 1.00 0.00 H new ATOM 1986 N LEU A 138 3.948 -4.530 1.764 1.00 0.00 N ATOM 1987 CA LEU A 138 2.996 -4.252 0.680 1.00 0.00 C ATOM 1988 C LEU A 138 3.693 -3.390 -0.372 1.00 0.00 C ATOM 1989 O LEU A 138 4.429 -2.484 0.012 1.00 0.00 O ATOM 1990 CB LEU A 138 1.748 -3.511 1.189 1.00 0.00 C ATOM 1991 CG LEU A 138 0.717 -4.382 1.928 1.00 0.00 C ATOM 1992 CD1 LEU A 138 1.150 -4.688 3.366 1.00 0.00 C ATOM 1993 CD2 LEU A 138 -0.639 -3.663 1.962 1.00 0.00 C ATOM 0 H LEU A 138 3.861 -3.903 2.564 1.00 0.00 H new ATOM 0 HA LEU A 138 2.671 -5.203 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 138 2.069 -2.712 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.256 -3.038 0.339 1.00 0.00 H new ATOM 0 HG LEU A 138 0.639 -5.324 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 138 0.393 -5.305 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 138 2.100 -5.222 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 138 1.265 -3.755 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.366 -4.283 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -0.533 -2.711 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.982 -3.484 0.943 1.00 0.00 H new ATOM 2005 N THR A 139 3.420 -3.607 -1.662 1.00 0.00 N ATOM 2006 CA THR A 139 4.021 -2.867 -2.772 1.00 0.00 C ATOM 2007 C THR A 139 2.925 -2.239 -3.632 1.00 0.00 C ATOM 2008 O THR A 139 1.981 -2.923 -4.047 1.00 0.00 O ATOM 2009 CB THR A 139 4.887 -3.799 -3.635 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.863 -4.449 -2.841 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.571 -3.039 -4.776 1.00 0.00 C ATOM 0 H THR A 139 2.758 -4.320 -1.969 1.00 0.00 H new ATOM 0 HA THR A 139 4.654 -2.080 -2.362 1.00 0.00 H new ATOM 0 HB THR A 139 4.223 -4.545 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.404 -5.039 -3.406 1.00 0.00 H new ATOM 0 HG21 THR A 139 6.174 -3.731 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.814 -2.584 -5.415 1.00 0.00 H new ATOM 0 HG23 THR A 139 6.212 -2.261 -4.362 1.00 0.00 H new ATOM 2019 N PHE A 140 3.091 -0.954 -3.941 1.00 0.00 N ATOM 2020 CA PHE A 140 2.141 -0.130 -4.666 1.00 0.00 C ATOM 2021 C PHE A 140 2.856 0.568 -5.828 1.00 0.00 C ATOM 2022 O PHE A 140 3.921 1.149 -5.623 1.00 0.00 O ATOM 2023 CB PHE A 140 1.548 0.925 -3.716 1.00 0.00 C ATOM 2024 CG PHE A 140 0.888 0.431 -2.439 1.00 0.00 C ATOM 2025 CD1 PHE A 140 1.686 -0.003 -1.363 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -0.510 0.511 -2.277 1.00 0.00 C ATOM 2027 CE1 PHE A 140 1.098 -0.383 -0.149 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.096 0.140 -1.051 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.294 -0.319 0.007 1.00 0.00 C ATOM 0 H PHE A 140 3.932 -0.441 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 140 1.339 -0.756 -5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 140 2.347 1.612 -3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.811 1.502 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 140 2.760 -0.043 -1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.130 0.856 -3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 140 1.717 -0.725 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.166 0.209 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 140 -0.749 -0.622 0.939 1.00 0.00 H new ATOM 2039 N ASP A 141 2.281 0.561 -7.030 1.00 0.00 N ATOM 2040 CA ASP A 141 2.730 1.412 -8.149 1.00 0.00 C ATOM 2041 C ASP A 141 2.077 2.785 -8.022 1.00 0.00 C ATOM 2042 O ASP A 141 1.051 2.894 -7.354 1.00 0.00 O ATOM 2043 CB ASP A 141 2.373 0.769 -9.497 1.00 0.00 C ATOM 2044 CG ASP A 141 3.517 -0.116 -9.987 1.00 0.00 C ATOM 2045 OD1 ASP A 141 3.693 -1.218 -9.423 1.00 0.00 O ATOM 2046 OD2 ASP A 141 4.225 0.234 -10.955 1.00 0.00 O ATOM 0 H ASP A 141 1.487 -0.035 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 141 3.814 1.519 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.465 0.175 -9.394 1.00 0.00 H new ATOM 0 HB3 ASP A 141 2.165 1.545 -10.233 1.00 0.00 H new ATOM 2051 N ARG A 142 2.627 3.841 -8.638 1.00 0.00 N ATOM 2052 CA ARG A 142 2.000 5.170 -8.681 1.00 0.00 C ATOM 2053 C ARG A 142 1.008 5.175 -9.842 1.00 0.00 C ATOM 2054 O ARG A 142 1.384 4.820 -10.959 1.00 0.00 O ATOM 2055 CB ARG A 142 3.080 6.263 -8.869 1.00 0.00 C ATOM 2056 CG ARG A 142 2.518 7.695 -9.035 1.00 0.00 C ATOM 2057 CD ARG A 142 2.349 8.499 -7.733 1.00 0.00 C ATOM 2058 NE ARG A 142 1.730 9.826 -7.978 1.00 0.00 N ATOM 2059 CZ ARG A 142 2.363 11.003 -8.142 1.00 0.00 C ATOM 2060 NH1 ARG A 142 3.685 11.058 -8.210 1.00 0.00 N ATOM 2061 NH2 ARG A 142 1.675 12.132 -8.238 1.00 0.00 N ATOM 0 H ARG A 142 3.523 3.797 -9.123 1.00 0.00 H new ATOM 0 HA ARG A 142 1.480 5.383 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.750 6.246 -8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.680 6.017 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.179 8.250 -9.701 1.00 0.00 H new ATOM 0 HG3 ARG A 142 1.549 7.630 -9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 142 1.732 7.934 -7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 142 3.322 8.634 -7.261 1.00 0.00 H new ATOM 0 HE ARG A 142 0.711 9.849 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 142 4.235 10.202 -8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 142 4.152 11.956 -8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 142 0.656 12.114 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 142 2.164 13.018 -8.362 1.00 0.00 H new ATOM 2075 N SER A 143 -0.215 5.679 -9.638 1.00 0.00 N ATOM 2076 CA SER A 143 -1.176 5.844 -10.721 1.00 0.00 C ATOM 2077 C SER A 143 -1.470 7.328 -10.857 1.00 0.00 C ATOM 2078 O SER A 143 -2.580 7.790 -10.597 1.00 0.00 O ATOM 2079 CB SER A 143 -2.384 4.954 -10.457 1.00 0.00 C ATOM 2080 OG SER A 143 -3.437 5.136 -11.384 1.00 0.00 O ATOM 0 H SER A 143 -0.558 5.979 -8.726 1.00 0.00 H new ATOM 0 HA SER A 143 -0.794 5.517 -11.688 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.068 3.911 -10.480 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.758 5.152 -9.452 1.00 0.00 H new ATOM 0 HG SER A 143 -3.694 6.081 -11.405 1.00 0.00 H new ATOM 2086 N THR A 144 -0.460 8.094 -11.255 1.00 0.00 N ATOM 2087 CA THR A 144 -0.571 9.548 -11.368 1.00 0.00 C ATOM 2088 C THR A 144 -1.372 10.015 -12.584 1.00 0.00 C ATOM 2089 O THR A 144 -1.595 11.223 -12.726 1.00 0.00 O ATOM 2090 CB THR A 144 0.822 10.198 -11.279 1.00 0.00 C ATOM 2091 OG1 THR A 144 0.719 11.589 -11.068 1.00 0.00 O ATOM 2092 CG2 THR A 144 1.729 9.962 -12.479 1.00 0.00 C ATOM 0 H THR A 144 0.458 7.728 -11.508 1.00 0.00 H new ATOM 0 HA THR A 144 -1.160 9.892 -10.517 1.00 0.00 H new ATOM 0 HB THR A 144 1.288 9.699 -10.429 1.00 0.00 H new ATOM 0 HG1 THR A 144 -0.059 11.937 -11.552 1.00 0.00 H new ATOM 0 HG21 THR A 144 2.684 10.461 -12.317 1.00 0.00 H new ATOM 0 HG22 THR A 144 1.895 8.892 -12.605 1.00 0.00 H new ATOM 0 HG23 THR A 144 1.258 10.364 -13.376 1.00 0.00 H new ATOM 2100 N ARG A 145 -1.853 9.081 -13.402 1.00 0.00 N ATOM 2101 CA ARG A 145 -2.413 9.349 -14.724 1.00 0.00 C ATOM 2102 C ARG A 145 -1.445 10.161 -15.592 1.00 0.00 C ATOM 2103 O ARG A 145 -0.244 10.273 -15.264 1.00 0.00 O ATOM 2104 CB ARG A 145 -3.782 10.033 -14.542 1.00 0.00 C ATOM 2105 CG ARG A 145 -4.772 9.690 -15.658 1.00 0.00 C ATOM 2106 CD ARG A 145 -5.996 10.607 -15.570 1.00 0.00 C ATOM 2107 NE ARG A 145 -6.802 10.333 -14.370 1.00 0.00 N ATOM 2108 CZ ARG A 145 -7.601 11.177 -13.708 1.00 0.00 C ATOM 2109 NH1 ARG A 145 -7.713 12.461 -14.040 1.00 0.00 N ATOM 2110 NH2 ARG A 145 -8.299 10.698 -12.687 1.00 0.00 N ATOM 0 H ARG A 145 -1.864 8.091 -13.157 1.00 0.00 H new ATOM 0 HA ARG A 145 -2.563 8.414 -15.265 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -4.206 9.736 -13.583 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -3.641 11.113 -14.507 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -4.291 9.803 -16.630 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -5.081 8.648 -15.574 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -5.670 11.647 -15.559 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -6.613 10.476 -16.459 1.00 0.00 H new ATOM 0 HE ARG A 145 -6.745 9.385 -13.998 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -7.178 12.833 -14.825 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -8.334 13.073 -13.510 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -8.216 9.715 -12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -8.918 11.313 -12.159 1.00 0.00 H new