USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 733 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 58 MET CE :methyl 177:sc= -0.785 (180deg=-0.49) USER MOD Set 1.2: A 89 TYR OH : rot 15:sc= -0.152 USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 68 MET CE :methyl -126:sc= -1.23 (180deg=-2.76!) USER MOD Set 3.1: A 56 TYR OH : rot -5:sc= 0.349 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.186 K(o=0.16,f=-1.5) USER MOD Set 3.3: A 78 THR OG1 : rot 140:sc= 0 USER MOD Set 4.1: A 19 SER OG : rot 69:sc= 0.736 USER MOD Set 4.2: A 46 ASN : amide:sc= 0.732 K(o=1.5,f=0.4) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 20 SER OG : rot 90:sc= 0.904 USER MOD Single : A 26 GLN : amide:sc= -0.0138 K(o=-0.014,f=-1.1) USER MOD Single : A 29 MET CE :methyl 159:sc= -5.93! (180deg=-6.32!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.855 USER MOD Single : A 38 GLN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 50 GLN : amide:sc= -0.428 K(o=-0.43,f=-2.4) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00644 X(o=-0.0064,f=-0.17) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -1.91! C(o=-2.6!,f=-1.9!) USER MOD Single : A 79 THR OG1 : rot 34:sc= 0.14 USER MOD Single : A 82 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.19) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 144:sc= 1.76 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.000786 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 106 SER OG : rot 180:sc= 0.109 USER MOD Single : A 109 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.7!) USER MOD Single : A 112 THR OG1 : rot -173:sc= 1.1 USER MOD Single : A 113 GLN : amide:sc=-0.00724 K(o=-0.0072,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.377 21.189 1.415 1.00 0.00 N ATOM 187 CA GLN A 16 -4.232 20.727 0.327 1.00 0.00 C ATOM 188 C GLN A 16 -4.301 19.204 0.300 1.00 0.00 C ATOM 189 O GLN A 16 -3.721 18.531 1.152 1.00 0.00 O ATOM 190 CB GLN A 16 -3.714 21.250 -1.013 1.00 0.00 C ATOM 191 CG GLN A 16 -4.548 22.385 -1.586 1.00 0.00 C ATOM 192 CD GLN A 16 -4.535 23.621 -0.708 1.00 0.00 C ATOM 193 OE1 GLN A 16 -5.279 23.710 0.268 1.00 0.00 O ATOM 194 NE2 GLN A 16 -3.684 24.581 -1.052 1.00 0.00 N ATOM 0 HA GLN A 16 -5.236 21.115 0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.687 21.592 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.691 20.429 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.172 22.643 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.576 22.046 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.086 24.463 -1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.628 25.436 -0.498 1.00 0.00 H new ATOM 203 N ALA A 17 -5.014 18.667 -0.684 1.00 0.00 N ATOM 204 CA ALA A 17 -5.157 17.223 -0.824 1.00 0.00 C ATOM 205 C ALA A 17 -3.837 16.576 -1.229 1.00 0.00 C ATOM 206 O ALA A 17 -2.932 17.229 -1.750 1.00 0.00 O ATOM 207 CB ALA A 17 -6.240 16.895 -1.841 1.00 0.00 C ATOM 0 H ALA A 17 -5.502 19.210 -1.396 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.448 16.818 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.335 15.813 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.189 17.316 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.972 17.321 -2.808 1.00 0.00 H new ATOM 213 N PRO A 18 -3.720 15.263 -0.983 1.00 0.00 N ATOM 214 CA PRO A 18 -2.513 14.500 -1.313 1.00 0.00 C ATOM 215 C PRO A 18 -2.326 14.334 -2.818 1.00 0.00 C ATOM 216 O PRO A 18 -3.254 13.950 -3.530 1.00 0.00 O ATOM 217 CB PRO A 18 -2.759 13.141 -0.653 1.00 0.00 C ATOM 218 CG PRO A 18 -4.242 13.023 -0.570 1.00 0.00 C ATOM 219 CD PRO A 18 -4.758 14.421 -0.363 1.00 0.00 C ATOM 0 HA PRO A 18 -1.608 15.000 -0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.330 12.331 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.302 13.092 0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.650 12.587 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.536 12.372 0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.729 14.565 -0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.883 14.651 0.695 1.00 0.00 H new ATOM 227 N SER A 19 -1.121 14.625 -3.295 1.00 0.00 N ATOM 228 CA SER A 19 -0.813 14.512 -4.716 1.00 0.00 C ATOM 229 C SER A 19 0.339 13.537 -4.947 1.00 0.00 C ATOM 230 O SER A 19 1.216 13.781 -5.773 1.00 0.00 O ATOM 231 CB SER A 19 -0.458 15.884 -5.294 1.00 0.00 C ATOM 232 OG SER A 19 0.881 16.234 -4.988 1.00 0.00 O ATOM 0 H SER A 19 -0.341 14.941 -2.718 1.00 0.00 H new ATOM 0 HA SER A 19 -1.698 14.129 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.597 15.874 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.135 16.638 -4.893 1.00 0.00 H new ATOM 0 HG SER A 19 1.493 15.650 -5.483 1.00 0.00 H new ATOM 238 N SER A 20 0.324 12.430 -4.211 1.00 0.00 N ATOM 239 CA SER A 20 1.366 11.419 -4.331 1.00 0.00 C ATOM 240 C SER A 20 0.860 10.057 -3.865 1.00 0.00 C ATOM 241 O SER A 20 0.304 9.929 -2.775 1.00 0.00 O ATOM 242 CB SER A 20 2.597 11.824 -3.515 1.00 0.00 C ATOM 243 OG SER A 20 3.146 10.710 -2.834 1.00 0.00 O ATOM 0 H SER A 20 -0.399 12.211 -3.525 1.00 0.00 H new ATOM 0 HA SER A 20 1.644 11.344 -5.382 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.348 12.257 -4.175 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.323 12.595 -2.795 1.00 0.00 H new ATOM 0 HG SER A 20 3.813 10.274 -3.405 1.00 0.00 H new ATOM 249 N ALA A 21 1.057 9.043 -4.701 1.00 0.00 N ATOM 250 CA ALA A 21 0.622 7.690 -4.375 1.00 0.00 C ATOM 251 C ALA A 21 1.462 7.100 -3.247 1.00 0.00 C ATOM 252 O ALA A 21 2.605 7.495 -3.020 1.00 0.00 O ATOM 253 CB ALA A 21 0.691 6.802 -5.608 1.00 0.00 C ATOM 0 H ALA A 21 1.515 9.132 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.412 7.739 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.363 5.795 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.042 7.207 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.717 6.767 -5.974 1.00 0.00 H new ATOM 259 N PRO A 22 0.884 6.130 -2.522 1.00 0.00 N ATOM 260 CA PRO A 22 1.563 5.465 -1.406 1.00 0.00 C ATOM 261 C PRO A 22 2.704 4.570 -1.873 1.00 0.00 C ATOM 262 O PRO A 22 2.738 4.140 -3.027 1.00 0.00 O ATOM 263 CB PRO A 22 0.454 4.626 -0.766 1.00 0.00 C ATOM 264 CG PRO A 22 -0.522 4.383 -1.867 1.00 0.00 C ATOM 265 CD PRO A 22 -0.477 5.609 -2.737 1.00 0.00 C ATOM 0 HA PRO A 22 2.023 6.180 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.845 3.689 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.012 5.154 0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.256 3.491 -2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.525 4.222 -1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.653 5.365 -3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.236 6.336 -2.447 1.00 0.00 H new ATOM 273 N ARG A 23 3.639 4.291 -0.970 1.00 0.00 N ATOM 274 CA ARG A 23 4.784 3.447 -1.290 1.00 0.00 C ATOM 275 C ARG A 23 4.835 2.230 -0.373 1.00 0.00 C ATOM 276 O ARG A 23 3.997 2.073 0.516 1.00 0.00 O ATOM 277 CB ARG A 23 6.083 4.246 -1.168 1.00 0.00 C ATOM 278 CG ARG A 23 6.053 5.575 -1.904 1.00 0.00 C ATOM 279 CD ARG A 23 7.212 6.468 -1.488 1.00 0.00 C ATOM 280 NE ARG A 23 8.239 6.549 -2.525 1.00 0.00 N ATOM 281 CZ ARG A 23 9.206 5.652 -2.673 1.00 0.00 C ATOM 282 NH1 ARG A 23 9.279 4.610 -1.855 1.00 0.00 N ATOM 283 NH2 ARG A 23 10.103 5.794 -3.639 1.00 0.00 N ATOM 0 H ARG A 23 3.626 4.637 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 23 4.673 3.101 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.289 4.429 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.907 3.645 -1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.096 5.398 -2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.110 6.083 -1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.839 7.468 -1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.654 6.084 -0.569 1.00 0.00 H new ATOM 0 HE ARG A 23 8.211 7.338 -3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.591 4.497 -1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.023 3.922 -1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.051 6.594 -4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.845 5.104 -3.751 1.00 0.00 H new ATOM 297 N ASP A 24 5.822 1.368 -0.595 1.00 0.00 N ATOM 298 CA ASP A 24 5.983 0.164 0.212 1.00 0.00 C ATOM 299 C ASP A 24 4.720 -0.690 0.172 1.00 0.00 C ATOM 300 O ASP A 24 4.456 -1.471 1.086 1.00 0.00 O ATOM 301 CB ASP A 24 6.318 0.535 1.657 1.00 0.00 C ATOM 302 CG ASP A 24 7.466 -0.285 2.213 1.00 0.00 C ATOM 303 OD1 ASP A 24 7.325 -1.522 2.301 1.00 0.00 O ATOM 304 OD2 ASP A 24 8.507 0.312 2.562 1.00 0.00 O ATOM 0 H ASP A 24 6.523 1.481 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 24 6.805 -0.417 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.573 1.593 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.436 0.390 2.280 1.00 0.00 H new ATOM 309 N VAL A 25 3.939 -0.533 -0.892 1.00 0.00 N ATOM 310 CA VAL A 25 2.703 -1.289 -1.052 1.00 0.00 C ATOM 311 C VAL A 25 2.984 -2.707 -1.534 1.00 0.00 C ATOM 312 O VAL A 25 3.334 -2.921 -2.694 1.00 0.00 O ATOM 313 CB VAL A 25 1.749 -0.601 -2.046 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.394 -1.294 -2.055 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.599 0.874 -1.707 1.00 0.00 C ATOM 0 H VAL A 25 4.141 0.111 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 25 2.228 -1.329 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 25 2.177 -0.679 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.266 -0.793 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.520 -2.336 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.044 -1.250 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.921 1.344 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.195 0.977 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.573 1.360 -1.758 1.00 0.00 H new ATOM 325 N GLN A 26 2.828 -3.674 -0.633 1.00 0.00 N ATOM 326 CA GLN A 26 3.066 -5.074 -0.968 1.00 0.00 C ATOM 327 C GLN A 26 2.109 -5.985 -0.206 1.00 0.00 C ATOM 328 O GLN A 26 1.763 -5.715 0.944 1.00 0.00 O ATOM 329 CB GLN A 26 4.514 -5.456 -0.653 1.00 0.00 C ATOM 330 CG GLN A 26 5.532 -4.774 -1.552 1.00 0.00 C ATOM 331 CD GLN A 26 6.951 -4.909 -1.033 1.00 0.00 C ATOM 332 OE1 GLN A 26 7.180 -4.961 0.175 1.00 0.00 O ATOM 333 NE2 GLN A 26 7.913 -4.968 -1.947 1.00 0.00 N ATOM 0 H GLN A 26 2.539 -3.514 0.332 1.00 0.00 H new ATOM 0 HA GLN A 26 2.888 -5.203 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.730 -5.202 0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.625 -6.536 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.473 -5.203 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.281 -3.717 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.678 -4.921 -2.938 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.887 -5.060 -1.657 1.00 0.00 H new ATOM 342 N ALA A 27 1.686 -7.064 -0.855 1.00 0.00 N ATOM 343 CA ALA A 27 0.771 -8.016 -0.239 1.00 0.00 C ATOM 344 C ALA A 27 1.431 -9.381 -0.068 1.00 0.00 C ATOM 345 O ALA A 27 1.926 -9.966 -1.033 1.00 0.00 O ATOM 346 CB ALA A 27 -0.497 -8.142 -1.069 1.00 0.00 C ATOM 0 H ALA A 27 1.963 -7.301 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 27 0.509 -7.642 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.171 -8.856 -0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.986 -7.170 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.243 -8.490 -2.070 1.00 0.00 H new ATOM 352 N ARG A 28 1.435 -9.880 1.163 1.00 0.00 N ATOM 353 CA ARG A 28 2.036 -11.175 1.460 1.00 0.00 C ATOM 354 C ARG A 28 1.006 -12.129 2.059 1.00 0.00 C ATOM 355 O ARG A 28 0.353 -11.807 3.052 1.00 0.00 O ATOM 356 CB ARG A 28 3.213 -11.007 2.423 1.00 0.00 C ATOM 357 CG ARG A 28 2.832 -10.355 3.742 1.00 0.00 C ATOM 358 CD ARG A 28 3.826 -9.274 4.137 1.00 0.00 C ATOM 359 NE ARG A 28 5.172 -9.813 4.325 1.00 0.00 N ATOM 360 CZ ARG A 28 5.519 -10.577 5.354 1.00 0.00 C ATOM 361 NH1 ARG A 28 4.626 -10.893 6.282 1.00 0.00 N ATOM 362 NH2 ARG A 28 6.763 -11.028 5.456 1.00 0.00 N ATOM 0 H ARG A 28 1.029 -9.408 1.971 1.00 0.00 H new ATOM 0 HA ARG A 28 2.399 -11.601 0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.650 -11.985 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.984 -10.407 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.835 -9.922 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.787 -11.113 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.848 -8.503 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.495 -8.795 5.059 1.00 0.00 H new ATOM 0 HE ARG A 28 5.883 -9.590 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.669 -10.549 6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.896 -11.480 7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.453 -10.788 4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.029 -11.615 6.247 1.00 0.00 H new ATOM 376 N MET A 29 0.866 -13.300 1.449 1.00 0.00 N ATOM 377 CA MET A 29 -0.083 -14.301 1.924 1.00 0.00 C ATOM 378 C MET A 29 0.414 -14.958 3.207 1.00 0.00 C ATOM 379 O MET A 29 1.589 -15.312 3.319 1.00 0.00 O ATOM 380 CB MET A 29 -0.317 -15.364 0.848 1.00 0.00 C ATOM 381 CG MET A 29 -1.641 -15.209 0.117 1.00 0.00 C ATOM 382 SD MET A 29 -3.063 -15.462 1.195 1.00 0.00 S ATOM 383 CE MET A 29 -3.915 -16.776 0.327 1.00 0.00 C ATOM 0 H MET A 29 1.397 -13.580 0.625 1.00 0.00 H new ATOM 0 HA MET A 29 -1.026 -13.798 2.138 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.496 -15.320 0.123 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.280 -16.351 1.310 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.695 -14.212 -0.321 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.683 -15.922 -0.706 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.581 -17.295 1.016 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.498 -16.353 -0.492 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.186 -17.481 -0.073 1.00 0.00 H new ATOM 393 N LEU A 30 -0.484 -15.118 4.171 1.00 0.00 N ATOM 394 CA LEU A 30 -0.137 -15.733 5.447 1.00 0.00 C ATOM 395 C LEU A 30 -0.915 -17.027 5.658 1.00 0.00 C ATOM 396 O LEU A 30 -0.458 -17.932 6.358 1.00 0.00 O ATOM 397 CB LEU A 30 -0.416 -14.763 6.597 1.00 0.00 C ATOM 398 CG LEU A 30 0.048 -13.321 6.386 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.324 -12.461 7.584 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.548 -13.275 6.138 1.00 0.00 C ATOM 0 H LEU A 30 -1.459 -14.830 4.094 1.00 0.00 H new ATOM 0 HA LEU A 30 0.927 -15.970 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.489 -14.754 6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.063 -15.150 7.496 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.457 -12.921 5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.014 -11.438 7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.406 -12.469 7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.153 -12.859 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.861 -12.241 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.072 -13.693 6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.788 -13.858 5.248 1.00 0.00 H new ATOM 412 N SER A 31 -2.093 -17.110 5.048 1.00 0.00 N ATOM 413 CA SER A 31 -2.936 -18.293 5.169 1.00 0.00 C ATOM 414 C SER A 31 -3.553 -18.661 3.824 1.00 0.00 C ATOM 415 O SER A 31 -3.177 -18.118 2.786 1.00 0.00 O ATOM 416 CB SER A 31 -4.039 -18.055 6.202 1.00 0.00 C ATOM 417 OG SER A 31 -4.111 -19.125 7.128 1.00 0.00 O ATOM 0 H SER A 31 -2.485 -16.371 4.464 1.00 0.00 H new ATOM 0 HA SER A 31 -2.311 -19.122 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.849 -17.123 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.998 -17.943 5.696 1.00 0.00 H new ATOM 0 HG SER A 31 -4.822 -18.948 7.778 1.00 0.00 H new ATOM 423 N SER A 32 -4.505 -19.590 3.852 1.00 0.00 N ATOM 424 CA SER A 32 -5.174 -20.033 2.634 1.00 0.00 C ATOM 425 C SER A 32 -6.257 -19.044 2.217 1.00 0.00 C ATOM 426 O SER A 32 -6.653 -18.993 1.051 1.00 0.00 O ATOM 427 CB SER A 32 -5.787 -21.420 2.841 1.00 0.00 C ATOM 428 OG SER A 32 -6.435 -21.509 4.098 1.00 0.00 O ATOM 0 H SER A 32 -4.829 -20.049 4.703 1.00 0.00 H new ATOM 0 HA SER A 32 -4.430 -20.086 1.839 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.502 -21.628 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.007 -22.179 2.776 1.00 0.00 H new ATOM 0 HG SER A 32 -6.820 -22.404 4.205 1.00 0.00 H new ATOM 434 N THR A 33 -6.733 -18.257 3.177 1.00 0.00 N ATOM 435 CA THR A 33 -7.770 -17.269 2.910 1.00 0.00 C ATOM 436 C THR A 33 -7.550 -16.005 3.732 1.00 0.00 C ATOM 437 O THR A 33 -8.504 -15.330 4.121 1.00 0.00 O ATOM 438 CB THR A 33 -9.172 -17.829 3.217 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.173 -18.473 4.496 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.606 -18.819 2.145 1.00 0.00 C ATOM 0 H THR A 33 -6.417 -18.285 4.146 1.00 0.00 H new ATOM 0 HA THR A 33 -7.708 -17.025 1.849 1.00 0.00 H new ATOM 0 HB THR A 33 -9.877 -16.998 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.068 -18.825 4.684 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.599 -19.201 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.632 -18.319 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.898 -19.647 2.106 1.00 0.00 H new ATOM 448 N THR A 34 -6.285 -15.689 3.996 1.00 0.00 N ATOM 449 CA THR A 34 -5.940 -14.505 4.774 1.00 0.00 C ATOM 450 C THR A 34 -4.713 -13.809 4.197 1.00 0.00 C ATOM 451 O THR A 34 -3.637 -14.402 4.105 1.00 0.00 O ATOM 452 CB THR A 34 -5.669 -14.861 6.247 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.203 -16.156 6.544 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.289 -13.827 7.176 1.00 0.00 C ATOM 0 H THR A 34 -5.483 -16.236 3.683 1.00 0.00 H new ATOM 0 HA THR A 34 -6.795 -13.831 4.723 1.00 0.00 H new ATOM 0 HB THR A 34 -4.590 -14.868 6.404 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.025 -16.376 7.482 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.085 -14.099 8.211 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.860 -12.847 6.967 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.367 -13.793 7.016 1.00 0.00 H new ATOM 462 N ILE A 35 -4.881 -12.548 3.812 1.00 0.00 N ATOM 463 CA ILE A 35 -3.784 -11.771 3.246 1.00 0.00 C ATOM 464 C ILE A 35 -3.413 -10.603 4.154 1.00 0.00 C ATOM 465 O ILE A 35 -4.112 -10.311 5.126 1.00 0.00 O ATOM 466 CB ILE A 35 -4.141 -11.227 1.850 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.331 -10.270 1.941 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.448 -12.374 0.899 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.624 -9.547 0.644 1.00 0.00 C ATOM 0 H ILE A 35 -5.765 -12.043 3.881 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.932 -12.445 3.157 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.285 -10.676 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.216 -10.830 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.137 -9.535 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.699 -11.975 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.575 -13.021 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.291 -12.949 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.479 -8.886 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.754 -8.959 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.850 -10.275 -0.135 1.00 0.00 H new ATOM 481 N LEU A 36 -2.310 -9.937 3.830 1.00 0.00 N ATOM 482 CA LEU A 36 -1.847 -8.798 4.617 1.00 0.00 C ATOM 483 C LEU A 36 -1.315 -7.692 3.710 1.00 0.00 C ATOM 484 O LEU A 36 -0.391 -7.908 2.925 1.00 0.00 O ATOM 485 CB LEU A 36 -0.756 -9.238 5.594 1.00 0.00 C ATOM 486 CG LEU A 36 -0.468 -8.285 6.754 1.00 0.00 C ATOM 487 CD1 LEU A 36 0.030 -9.053 7.968 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.544 -7.228 6.336 1.00 0.00 C ATOM 0 H LEU A 36 -1.720 -10.165 3.030 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.695 -8.407 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.036 -10.207 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.167 -9.385 5.034 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.397 -7.784 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.229 -8.357 8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.729 -9.770 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.947 -9.584 7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.737 -6.558 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.473 -7.712 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.147 -6.655 5.498 1.00 0.00 H new ATOM 500 N VAL A 37 -1.904 -6.505 3.825 1.00 0.00 N ATOM 501 CA VAL A 37 -1.487 -5.364 3.020 1.00 0.00 C ATOM 502 C VAL A 37 -0.830 -4.293 3.882 1.00 0.00 C ATOM 503 O VAL A 37 -1.458 -3.737 4.783 1.00 0.00 O ATOM 504 CB VAL A 37 -2.682 -4.743 2.270 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.203 -3.680 1.291 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.478 -5.821 1.551 1.00 0.00 C ATOM 0 H VAL A 37 -2.671 -6.310 4.468 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.763 -5.735 2.294 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.337 -4.265 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.060 -3.252 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.679 -2.894 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.526 -4.132 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.318 -5.365 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.835 -6.330 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.852 -6.542 2.277 1.00 0.00 H new ATOM 516 N GLN A 38 0.437 -4.007 3.597 1.00 0.00 N ATOM 517 CA GLN A 38 1.179 -3.002 4.349 1.00 0.00 C ATOM 518 C GLN A 38 1.840 -1.999 3.408 1.00 0.00 C ATOM 519 O GLN A 38 2.384 -2.372 2.369 1.00 0.00 O ATOM 520 CB GLN A 38 2.238 -3.669 5.226 1.00 0.00 C ATOM 521 CG GLN A 38 3.188 -4.571 4.454 1.00 0.00 C ATOM 522 CD GLN A 38 4.562 -4.651 5.088 1.00 0.00 C ATOM 523 OE1 GLN A 38 5.581 -4.563 4.403 1.00 0.00 O ATOM 524 NE2 GLN A 38 4.598 -4.819 6.405 1.00 0.00 N ATOM 0 H GLN A 38 0.970 -4.456 2.852 1.00 0.00 H new ATOM 0 HA GLN A 38 0.475 -2.468 4.986 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.816 -2.897 5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.741 -4.255 5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.762 -5.572 4.392 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.284 -4.202 3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.729 -4.887 6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.495 -4.880 6.887 1.00 0.00 H new ATOM 533 N TRP A 39 1.786 -0.725 3.779 1.00 0.00 N ATOM 534 CA TRP A 39 2.379 0.333 2.968 1.00 0.00 C ATOM 535 C TRP A 39 2.857 1.486 3.843 1.00 0.00 C ATOM 536 O TRP A 39 2.625 1.500 5.053 1.00 0.00 O ATOM 537 CB TRP A 39 1.368 0.842 1.939 1.00 0.00 C ATOM 538 CG TRP A 39 0.147 1.450 2.557 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.042 2.764 2.879 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.055 0.768 2.930 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.289 2.939 3.428 1.00 0.00 N ATOM 542 CE2 TRP A 39 -1.931 1.731 3.470 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.480 -0.562 2.857 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.202 1.403 3.935 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -2.741 -0.886 3.318 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.590 0.093 3.852 1.00 0.00 C ATOM 0 H TRP A 39 1.338 -0.399 4.636 1.00 0.00 H new ATOM 0 HA TRP A 39 3.240 -0.083 2.445 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.851 1.583 1.301 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.067 0.015 1.296 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.683 3.550 2.725 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.674 3.826 3.752 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.833 -1.323 2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.858 2.156 4.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.078 -1.911 3.266 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.570 -0.192 4.205 1.00 0.00 H new ATOM 557 N LYS A 40 3.525 2.455 3.226 1.00 0.00 N ATOM 558 CA LYS A 40 4.035 3.614 3.947 1.00 0.00 C ATOM 559 C LYS A 40 3.307 4.885 3.520 1.00 0.00 C ATOM 560 O LYS A 40 2.551 4.881 2.548 1.00 0.00 O ATOM 561 CB LYS A 40 5.538 3.770 3.706 1.00 0.00 C ATOM 562 CG LYS A 40 6.394 2.953 4.658 1.00 0.00 C ATOM 563 CD LYS A 40 7.861 3.336 4.556 1.00 0.00 C ATOM 564 CE LYS A 40 8.143 4.658 5.255 1.00 0.00 C ATOM 565 NZ LYS A 40 9.560 4.756 5.706 1.00 0.00 N ATOM 0 H LYS A 40 3.726 2.460 2.226 1.00 0.00 H new ATOM 0 HA LYS A 40 3.858 3.455 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.766 3.475 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.806 4.822 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.048 3.104 5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.277 1.892 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.474 2.551 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.147 3.410 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.920 5.482 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.480 4.763 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.712 5.671 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.766 3.985 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.192 4.681 4.883 1.00 0.00 H new ATOM 579 N GLU A 41 3.539 5.969 4.252 1.00 0.00 N ATOM 580 CA GLU A 41 2.905 7.246 3.946 1.00 0.00 C ATOM 581 C GLU A 41 3.364 7.772 2.589 1.00 0.00 C ATOM 582 O GLU A 41 4.403 7.376 2.061 1.00 0.00 O ATOM 583 CB GLU A 41 3.222 8.272 5.037 1.00 0.00 C ATOM 584 CG GLU A 41 2.108 8.441 6.056 1.00 0.00 C ATOM 585 CD GLU A 41 2.552 9.215 7.283 1.00 0.00 C ATOM 586 OE1 GLU A 41 3.774 9.295 7.523 1.00 0.00 O ATOM 587 OE2 GLU A 41 1.677 9.740 8.002 1.00 0.00 O ATOM 0 H GLU A 41 4.161 5.989 5.060 1.00 0.00 H new ATOM 0 HA GLU A 41 1.827 7.087 3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.133 7.970 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.425 9.236 4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.269 8.957 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.748 7.459 6.361 1.00 0.00 H new ATOM 594 N PRO A 42 2.571 8.686 2.010 1.00 0.00 N ATOM 595 CA PRO A 42 2.875 9.285 0.708 1.00 0.00 C ATOM 596 C PRO A 42 4.076 10.223 0.767 1.00 0.00 C ATOM 597 O PRO A 42 4.591 10.519 1.844 1.00 0.00 O ATOM 598 CB PRO A 42 1.603 10.067 0.371 1.00 0.00 C ATOM 599 CG PRO A 42 0.984 10.370 1.692 1.00 0.00 C ATOM 600 CD PRO A 42 1.317 9.204 2.582 1.00 0.00 C ATOM 0 HA PRO A 42 3.139 8.532 -0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.833 10.981 -0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.932 9.480 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.377 11.300 2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.095 10.494 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.446 9.514 3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.529 8.451 2.570 1.00 0.00 H new ATOM 608 N GLU A 43 4.518 10.686 -0.398 1.00 0.00 N ATOM 609 CA GLU A 43 5.659 11.590 -0.477 1.00 0.00 C ATOM 610 C GLU A 43 5.202 13.045 -0.466 1.00 0.00 C ATOM 611 O GLU A 43 5.956 13.940 -0.085 1.00 0.00 O ATOM 612 CB GLU A 43 6.475 11.308 -1.740 1.00 0.00 C ATOM 613 CG GLU A 43 7.614 10.326 -1.524 1.00 0.00 C ATOM 614 CD GLU A 43 8.963 11.010 -1.425 1.00 0.00 C ATOM 615 OE1 GLU A 43 9.231 11.914 -2.244 1.00 0.00 O ATOM 616 OE2 GLU A 43 9.752 10.641 -0.530 1.00 0.00 O ATOM 0 H GLU A 43 4.103 10.450 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 43 6.287 11.419 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.811 10.917 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.882 12.247 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.431 9.758 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.633 9.611 -2.346 1.00 0.00 H new ATOM 623 N GLU A 44 3.963 13.274 -0.890 1.00 0.00 N ATOM 624 CA GLU A 44 3.406 14.621 -0.932 1.00 0.00 C ATOM 625 C GLU A 44 2.038 14.665 -0.260 1.00 0.00 C ATOM 626 O GLU A 44 1.001 14.791 -0.915 1.00 0.00 O ATOM 627 CB GLU A 44 3.295 15.107 -2.378 1.00 0.00 C ATOM 628 CG GLU A 44 4.549 14.864 -3.202 1.00 0.00 C ATOM 629 CD GLU A 44 4.439 15.415 -4.610 1.00 0.00 C ATOM 630 OE1 GLU A 44 4.772 16.603 -4.807 1.00 0.00 O ATOM 631 OE2 GLU A 44 4.021 14.661 -5.513 1.00 0.00 O ATOM 0 H GLU A 44 3.326 12.544 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 44 4.079 15.282 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.454 14.606 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.072 16.174 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.402 15.323 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.746 13.793 -3.250 1.00 0.00 H new ATOM 638 N PRO A 45 2.029 14.557 1.076 1.00 0.00 N ATOM 639 CA PRO A 45 0.795 14.582 1.864 1.00 0.00 C ATOM 640 C PRO A 45 0.041 15.899 1.722 1.00 0.00 C ATOM 641 O PRO A 45 -1.153 15.914 1.425 1.00 0.00 O ATOM 642 CB PRO A 45 1.288 14.401 3.303 1.00 0.00 C ATOM 643 CG PRO A 45 2.726 14.793 3.262 1.00 0.00 C ATOM 644 CD PRO A 45 3.226 14.405 1.920 1.00 0.00 C ATOM 0 HA PRO A 45 0.091 13.816 1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.726 15.027 3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.168 13.370 3.636 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.842 15.865 3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.289 14.289 4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.040 15.049 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.604 13.383 1.908 1.00 0.00 H new ATOM 652 N ASN A 46 0.747 17.006 1.934 1.00 0.00 N ATOM 653 CA ASN A 46 0.144 18.329 1.828 1.00 0.00 C ATOM 654 C ASN A 46 -0.940 18.520 2.886 1.00 0.00 C ATOM 655 O ASN A 46 -1.832 19.353 2.732 1.00 0.00 O ATOM 656 CB ASN A 46 -0.448 18.532 0.432 1.00 0.00 C ATOM 657 CG ASN A 46 0.519 18.144 -0.668 1.00 0.00 C ATOM 658 OD1 ASN A 46 1.726 18.354 -0.553 1.00 0.00 O ATOM 659 ND2 ASN A 46 -0.009 17.573 -1.745 1.00 0.00 N ATOM 0 H ASN A 46 1.737 17.012 2.180 1.00 0.00 H new ATOM 0 HA ASN A 46 0.925 19.071 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.358 17.940 0.337 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.733 19.577 0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.592 17.290 -2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.016 17.418 -1.798 1.00 0.00 H new ATOM 666 N GLY A 47 -0.854 17.739 3.958 1.00 0.00 N ATOM 667 CA GLY A 47 -1.834 17.837 5.026 1.00 0.00 C ATOM 668 C GLY A 47 -1.911 16.572 5.859 1.00 0.00 C ATOM 669 O GLY A 47 -1.452 15.513 5.434 1.00 0.00 O ATOM 0 H GLY A 47 -0.125 17.041 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.581 18.679 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.814 18.047 4.598 1.00 0.00 H new ATOM 673 N GLN A 48 -2.494 16.685 7.048 1.00 0.00 N ATOM 674 CA GLN A 48 -2.628 15.541 7.944 1.00 0.00 C ATOM 675 C GLN A 48 -3.469 14.443 7.303 1.00 0.00 C ATOM 676 O GLN A 48 -4.589 14.690 6.853 1.00 0.00 O ATOM 677 CB GLN A 48 -3.255 15.975 9.269 1.00 0.00 C ATOM 678 CG GLN A 48 -2.483 15.506 10.491 1.00 0.00 C ATOM 679 CD GLN A 48 -3.159 15.893 11.792 1.00 0.00 C ATOM 680 OE1 GLN A 48 -4.325 16.286 11.806 1.00 0.00 O ATOM 681 NE2 GLN A 48 -2.427 15.782 12.894 1.00 0.00 N ATOM 0 H GLN A 48 -2.881 17.555 7.413 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.632 15.143 8.136 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.325 17.063 9.289 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.273 15.589 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.372 14.422 10.452 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.479 15.931 10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.464 15.452 12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.828 16.027 13.799 1.00 0.00 H new ATOM 690 N ILE A 49 -2.925 13.232 7.265 1.00 0.00 N ATOM 691 CA ILE A 49 -3.627 12.098 6.679 1.00 0.00 C ATOM 692 C ILE A 49 -4.634 11.507 7.661 1.00 0.00 C ATOM 693 O ILE A 49 -4.259 10.998 8.717 1.00 0.00 O ATOM 694 CB ILE A 49 -2.647 10.993 6.242 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.632 11.549 5.241 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.405 9.820 5.639 1.00 0.00 C ATOM 697 CD1 ILE A 49 -2.256 12.012 3.943 1.00 0.00 C ATOM 0 H ILE A 49 -2.000 13.011 7.633 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.154 12.474 5.802 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.107 10.638 7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.102 12.385 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.889 10.781 5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.698 9.048 5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.093 9.412 6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.968 10.159 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.478 12.394 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.762 11.174 3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.978 12.802 4.148 1.00 0.00 H new ATOM 709 N GLN A 50 -5.912 11.580 7.305 1.00 0.00 N ATOM 710 CA GLN A 50 -6.973 11.052 8.155 1.00 0.00 C ATOM 711 C GLN A 50 -7.112 9.544 7.979 1.00 0.00 C ATOM 712 O GLN A 50 -7.575 8.843 8.878 1.00 0.00 O ATOM 713 CB GLN A 50 -8.301 11.740 7.835 1.00 0.00 C ATOM 714 CG GLN A 50 -8.252 13.253 7.972 1.00 0.00 C ATOM 715 CD GLN A 50 -7.940 13.701 9.387 1.00 0.00 C ATOM 716 OE1 GLN A 50 -7.953 12.900 10.322 1.00 0.00 O ATOM 717 NE2 GLN A 50 -7.656 14.988 9.552 1.00 0.00 N ATOM 0 H GLN A 50 -6.238 11.999 6.434 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.708 11.255 9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.596 11.485 6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.072 11.348 8.498 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.497 13.651 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.210 13.673 7.665 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.656 15.617 8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.437 15.347 10.481 1.00 0.00 H new ATOM 726 N GLY A 51 -6.706 9.049 6.813 1.00 0.00 N ATOM 727 CA GLY A 51 -6.795 7.628 6.539 1.00 0.00 C ATOM 728 C GLY A 51 -6.489 7.294 5.092 1.00 0.00 C ATOM 729 O GLY A 51 -6.121 8.172 4.311 1.00 0.00 O ATOM 0 H GLY A 51 -6.317 9.608 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.101 7.093 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.797 7.276 6.785 1.00 0.00 H new ATOM 733 N TYR A 52 -6.638 6.024 4.735 1.00 0.00 N ATOM 734 CA TYR A 52 -6.371 5.576 3.373 1.00 0.00 C ATOM 735 C TYR A 52 -7.527 4.739 2.837 1.00 0.00 C ATOM 736 O TYR A 52 -8.507 4.492 3.541 1.00 0.00 O ATOM 737 CB TYR A 52 -5.074 4.767 3.325 1.00 0.00 C ATOM 738 CG TYR A 52 -3.901 5.464 3.978 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.095 6.336 3.257 1.00 0.00 C ATOM 740 CD2 TYR A 52 -3.598 5.249 5.317 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.022 6.974 3.848 1.00 0.00 C ATOM 742 CE2 TYR A 52 -2.528 5.883 5.919 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.744 6.744 5.180 1.00 0.00 C ATOM 744 OH TYR A 52 -0.677 7.378 5.774 1.00 0.00 O ATOM 0 H TYR A 52 -6.942 5.286 5.370 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.264 6.459 2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.236 3.808 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.826 4.554 2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.311 6.518 2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.210 4.574 5.898 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.405 7.648 3.272 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.307 5.706 6.961 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.619 7.109 6.715 1.00 0.00 H new ATOM 754 N ARG A 53 -7.404 4.302 1.589 1.00 0.00 N ATOM 755 CA ARG A 53 -8.438 3.490 0.958 1.00 0.00 C ATOM 756 C ARG A 53 -7.821 2.355 0.146 1.00 0.00 C ATOM 757 O ARG A 53 -6.869 2.563 -0.606 1.00 0.00 O ATOM 758 CB ARG A 53 -9.316 4.359 0.054 1.00 0.00 C ATOM 759 CG ARG A 53 -10.176 5.355 0.814 1.00 0.00 C ATOM 760 CD ARG A 53 -10.711 6.442 -0.102 1.00 0.00 C ATOM 761 NE ARG A 53 -11.401 7.494 0.640 1.00 0.00 N ATOM 762 CZ ARG A 53 -12.607 7.341 1.177 1.00 0.00 C ATOM 763 NH1 ARG A 53 -13.251 6.188 1.056 1.00 0.00 N ATOM 764 NH2 ARG A 53 -13.171 8.344 1.838 1.00 0.00 N ATOM 0 H ARG A 53 -6.599 4.496 0.994 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.054 3.056 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.679 4.901 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.962 3.713 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.009 4.833 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.590 5.808 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.887 6.878 -0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.396 6.001 -0.826 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.933 8.393 0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.821 5.414 0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.176 6.075 1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.679 9.232 1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.097 8.227 2.250 1.00 0.00 H new ATOM 778 N VAL A 54 -8.367 1.155 0.306 1.00 0.00 N ATOM 779 CA VAL A 54 -7.871 -0.013 -0.413 1.00 0.00 C ATOM 780 C VAL A 54 -8.925 -0.561 -1.367 1.00 0.00 C ATOM 781 O VAL A 54 -10.112 -0.601 -1.042 1.00 0.00 O ATOM 782 CB VAL A 54 -7.443 -1.129 0.559 1.00 0.00 C ATOM 783 CG1 VAL A 54 -6.758 -2.260 -0.192 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.534 -0.571 1.643 1.00 0.00 C ATOM 0 H VAL A 54 -9.153 0.965 0.927 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.003 0.313 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.336 -1.532 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.463 -3.038 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.446 -2.677 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.873 -1.876 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.241 -1.373 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.644 -0.140 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.065 0.200 2.201 1.00 0.00 H new ATOM 794 N TYR A 55 -8.485 -0.986 -2.546 1.00 0.00 N ATOM 795 CA TYR A 55 -9.391 -1.530 -3.550 1.00 0.00 C ATOM 796 C TYR A 55 -9.006 -2.961 -3.912 1.00 0.00 C ATOM 797 O TYR A 55 -7.924 -3.208 -4.446 1.00 0.00 O ATOM 798 CB TYR A 55 -9.384 -0.655 -4.804 1.00 0.00 C ATOM 799 CG TYR A 55 -9.935 0.735 -4.577 1.00 0.00 C ATOM 800 CD1 TYR A 55 -9.236 1.665 -3.818 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.156 1.116 -5.119 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.736 2.936 -3.607 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.663 2.384 -4.913 1.00 0.00 C ATOM 804 CZ TYR A 55 -10.950 3.290 -4.158 1.00 0.00 C ATOM 805 OH TYR A 55 -11.452 4.555 -3.950 1.00 0.00 O ATOM 0 H TYR A 55 -7.506 -0.964 -2.830 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.396 -1.538 -3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.362 -0.575 -5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.969 -1.146 -5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.285 1.390 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.718 0.409 -5.711 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.180 3.647 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.614 2.664 -5.342 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.315 4.644 -4.406 1.00 0.00 H new ATOM 815 N TYR A 56 -9.899 -3.899 -3.619 1.00 0.00 N ATOM 816 CA TYR A 56 -9.654 -5.307 -3.911 1.00 0.00 C ATOM 817 C TYR A 56 -10.951 -6.022 -4.276 1.00 0.00 C ATOM 818 O TYR A 56 -11.951 -5.922 -3.565 1.00 0.00 O ATOM 819 CB TYR A 56 -9.001 -5.992 -2.711 1.00 0.00 C ATOM 820 CG TYR A 56 -9.930 -6.162 -1.530 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.198 -5.102 -0.674 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.541 -7.383 -1.272 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.045 -5.252 0.406 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.391 -7.542 -0.195 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.641 -6.474 0.641 1.00 0.00 C ATOM 826 OH TYR A 56 -12.487 -6.628 1.715 1.00 0.00 O ATOM 0 H TYR A 56 -10.800 -3.710 -3.179 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.978 -5.362 -4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.634 -6.972 -3.018 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.134 -5.410 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.736 -4.143 -0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.348 -8.222 -1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.240 -4.417 1.063 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -11.858 -8.498 -0.008 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.492 -5.805 2.248 1.00 0.00 H new ATOM 836 N THR A 57 -10.926 -6.745 -5.390 1.00 0.00 N ATOM 837 CA THR A 57 -12.100 -7.479 -5.851 1.00 0.00 C ATOM 838 C THR A 57 -11.712 -8.567 -6.845 1.00 0.00 C ATOM 839 O THR A 57 -10.872 -8.353 -7.719 1.00 0.00 O ATOM 840 CB THR A 57 -13.126 -6.538 -6.512 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.370 -7.222 -6.694 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.615 -6.038 -7.855 1.00 0.00 C ATOM 0 H THR A 57 -10.107 -6.839 -5.990 1.00 0.00 H new ATOM 0 HA THR A 57 -12.552 -7.938 -4.972 1.00 0.00 H new ATOM 0 HB THR A 57 -13.276 -5.680 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 57 -15.018 -6.617 -7.113 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.356 -5.376 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.682 -5.493 -7.709 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.440 -6.886 -8.517 1.00 0.00 H new ATOM 850 N MET A 58 -12.329 -9.736 -6.707 1.00 0.00 N ATOM 851 CA MET A 58 -12.050 -10.859 -7.595 1.00 0.00 C ATOM 852 C MET A 58 -12.446 -10.528 -9.029 1.00 0.00 C ATOM 853 O MET A 58 -11.964 -11.151 -9.976 1.00 0.00 O ATOM 854 CB MET A 58 -12.795 -12.109 -7.122 1.00 0.00 C ATOM 855 CG MET A 58 -14.296 -12.045 -7.353 1.00 0.00 C ATOM 856 SD MET A 58 -15.226 -12.997 -6.137 1.00 0.00 S ATOM 857 CE MET A 58 -14.294 -14.524 -6.116 1.00 0.00 C ATOM 0 H MET A 58 -13.026 -9.930 -5.988 1.00 0.00 H new ATOM 0 HA MET A 58 -10.978 -11.054 -7.569 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.393 -12.980 -7.640 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.605 -12.255 -6.059 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.621 -11.005 -7.320 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.522 -12.418 -8.352 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.716 -15.197 -5.370 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.343 -14.994 -7.098 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.254 -14.312 -5.867 1.00 0.00 H new ATOM 867 N ASP A 59 -13.327 -9.546 -9.184 1.00 0.00 N ATOM 868 CA ASP A 59 -13.788 -9.132 -10.505 1.00 0.00 C ATOM 869 C ASP A 59 -13.272 -7.738 -10.848 1.00 0.00 C ATOM 870 O ASP A 59 -13.979 -6.739 -10.716 1.00 0.00 O ATOM 871 CB ASP A 59 -15.316 -9.153 -10.565 1.00 0.00 C ATOM 872 CG ASP A 59 -15.860 -10.510 -10.970 1.00 0.00 C ATOM 873 OD1 ASP A 59 -15.388 -11.528 -10.420 1.00 0.00 O ATOM 874 OD2 ASP A 59 -16.758 -10.553 -11.836 1.00 0.00 O ATOM 0 H ASP A 59 -13.737 -9.021 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.394 -9.836 -11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.719 -8.879 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.659 -8.400 -11.275 1.00 0.00 H new ATOM 879 N PRO A 60 -12.011 -7.668 -11.300 1.00 0.00 N ATOM 880 CA PRO A 60 -11.373 -6.402 -11.670 1.00 0.00 C ATOM 881 C PRO A 60 -11.965 -5.805 -12.942 1.00 0.00 C ATOM 882 O PRO A 60 -11.644 -4.677 -13.321 1.00 0.00 O ATOM 883 CB PRO A 60 -9.911 -6.793 -11.894 1.00 0.00 C ATOM 884 CG PRO A 60 -9.957 -8.239 -12.250 1.00 0.00 C ATOM 885 CD PRO A 60 -11.111 -8.818 -11.482 1.00 0.00 C ATOM 0 HA PRO A 60 -11.512 -5.638 -10.905 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.461 -6.203 -12.692 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.314 -6.625 -10.998 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.096 -8.372 -13.323 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.024 -8.736 -11.985 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.596 -9.624 -12.032 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.790 -9.232 -10.526 1.00 0.00 H new ATOM 941 N VAL A 64 -13.294 0.909 -10.860 1.00 0.00 N ATOM 942 CA VAL A 64 -12.507 0.985 -9.635 1.00 0.00 C ATOM 943 C VAL A 64 -13.406 1.010 -8.404 1.00 0.00 C ATOM 944 O VAL A 64 -13.470 0.038 -7.652 1.00 0.00 O ATOM 945 CB VAL A 64 -11.605 2.234 -9.623 1.00 0.00 C ATOM 946 CG1 VAL A 64 -10.917 2.383 -8.275 1.00 0.00 C ATOM 947 CG2 VAL A 64 -10.583 2.163 -10.748 1.00 0.00 C ATOM 0 HA VAL A 64 -11.881 0.093 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.229 3.113 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.284 3.270 -8.286 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.669 2.483 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.304 1.503 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.954 3.053 -10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.962 1.276 -10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.100 2.109 -11.706 1.00 0.00 H new ATOM 957 N ASN A 65 -14.097 2.127 -8.205 1.00 0.00 N ATOM 958 CA ASN A 65 -14.994 2.278 -7.064 1.00 0.00 C ATOM 959 C ASN A 65 -15.999 1.132 -7.007 1.00 0.00 C ATOM 960 O ASN A 65 -16.448 0.739 -5.931 1.00 0.00 O ATOM 961 CB ASN A 65 -15.732 3.615 -7.143 1.00 0.00 C ATOM 962 CG ASN A 65 -15.359 4.549 -6.007 1.00 0.00 C ATOM 963 OD1 ASN A 65 -16.103 4.692 -5.037 1.00 0.00 O ATOM 964 ND2 ASN A 65 -14.201 5.190 -6.124 1.00 0.00 N ATOM 0 H ASN A 65 -14.054 2.941 -8.818 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.393 2.256 -6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.506 4.096 -8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.807 3.435 -7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.897 5.831 -5.392 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.616 5.041 -6.946 1.00 0.00 H new ATOM 971 N ASN A 66 -16.350 0.601 -8.174 1.00 0.00 N ATOM 972 CA ASN A 66 -17.302 -0.501 -8.258 1.00 0.00 C ATOM 973 C ASN A 66 -16.793 -1.719 -7.496 1.00 0.00 C ATOM 974 O ASN A 66 -17.564 -2.614 -7.148 1.00 0.00 O ATOM 975 CB ASN A 66 -17.560 -0.870 -9.720 1.00 0.00 C ATOM 976 CG ASN A 66 -18.819 -0.222 -10.266 1.00 0.00 C ATOM 977 OD1 ASN A 66 -18.933 1.002 -10.306 1.00 0.00 O ATOM 978 ND2 ASN A 66 -19.771 -1.045 -10.691 1.00 0.00 N ATOM 0 H ASN A 66 -15.989 0.916 -9.075 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.237 -0.175 -7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.706 -0.565 -10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.644 -1.953 -9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -20.640 -0.668 -11.070 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.633 -2.054 -10.639 1.00 0.00 H new ATOM 985 N TRP A 67 -15.491 -1.748 -7.239 1.00 0.00 N ATOM 986 CA TRP A 67 -14.878 -2.857 -6.517 1.00 0.00 C ATOM 987 C TRP A 67 -15.462 -2.983 -5.114 1.00 0.00 C ATOM 988 O TRP A 67 -16.393 -2.264 -4.754 1.00 0.00 O ATOM 989 CB TRP A 67 -13.362 -2.665 -6.436 1.00 0.00 C ATOM 990 CG TRP A 67 -12.672 -2.819 -7.757 1.00 0.00 C ATOM 991 CD1 TRP A 67 -13.250 -2.773 -8.994 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.276 -3.045 -7.973 1.00 0.00 C ATOM 993 NE1 TRP A 67 -12.297 -2.957 -9.967 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.076 -3.125 -9.365 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.172 -3.185 -7.128 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -9.821 -3.340 -9.928 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -8.927 -3.399 -7.685 1.00 0.00 C ATOM 998 CH2 TRP A 67 -8.759 -3.474 -9.075 1.00 0.00 C ATOM 0 H TRP A 67 -14.839 -1.016 -7.520 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.092 -3.775 -7.063 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.150 -1.673 -6.037 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -12.949 -3.387 -5.732 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -14.302 -2.615 -9.180 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -12.469 -2.967 -10.972 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.291 -3.127 -6.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -9.690 -3.399 -10.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.068 -3.510 -7.039 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -7.772 -3.641 -9.481 1.00 0.00 H new ATOM 1009 N MET A 68 -14.910 -3.903 -4.328 1.00 0.00 N ATOM 1010 CA MET A 68 -15.377 -4.121 -2.965 1.00 0.00 C ATOM 1011 C MET A 68 -14.937 -2.982 -2.050 1.00 0.00 C ATOM 1012 O MET A 68 -15.693 -2.539 -1.185 1.00 0.00 O ATOM 1013 CB MET A 68 -14.850 -5.453 -2.430 1.00 0.00 C ATOM 1014 CG MET A 68 -15.949 -6.423 -2.022 1.00 0.00 C ATOM 1015 SD MET A 68 -15.332 -8.093 -1.740 1.00 0.00 S ATOM 1016 CE MET A 68 -14.663 -8.485 -3.354 1.00 0.00 C ATOM 0 H MET A 68 -14.140 -4.508 -4.612 1.00 0.00 H new ATOM 0 HA MET A 68 -16.467 -4.150 -2.981 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.229 -5.921 -3.193 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.208 -5.261 -1.570 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.430 -6.060 -1.114 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.713 -6.448 -2.799 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.096 -9.420 -3.710 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.905 -7.684 -4.052 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.580 -8.591 -3.283 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.708 -2.514 -2.246 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.167 -1.426 -1.439 1.00 0.00 C ATOM 1028 C LYS A 69 -13.027 -1.847 0.019 1.00 0.00 C ATOM 1029 O LYS A 69 -13.721 -2.754 0.483 1.00 0.00 O ATOM 1030 CB LYS A 69 -14.065 -0.191 -1.542 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.459 0.157 -2.966 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.108 1.531 -3.046 1.00 0.00 C ATOM 1033 CE LYS A 69 -14.087 2.640 -2.844 1.00 0.00 C ATOM 1034 NZ LYS A 69 -14.560 3.655 -1.861 1.00 0.00 N ATOM 0 H LYS A 69 -13.069 -2.871 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.177 -1.180 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.968 -0.359 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.550 0.661 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.576 0.133 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.149 -0.595 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.591 1.651 -4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.889 1.611 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.147 2.210 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.884 3.125 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.837 4.394 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.444 4.083 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.730 3.197 -0.943 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.130 -1.183 0.740 1.00 0.00 N ATOM 1049 CA HIS A 70 -11.901 -1.488 2.148 1.00 0.00 C ATOM 1050 C HIS A 70 -11.900 -0.213 2.986 1.00 0.00 C ATOM 1051 O HIS A 70 -12.142 0.879 2.473 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.575 -2.229 2.323 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.624 -3.307 3.360 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -11.694 -4.164 3.505 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -9.726 -3.668 4.306 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -11.454 -5.005 4.495 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -10.264 -4.724 4.999 1.00 0.00 N ATOM 0 H HIS A 70 -11.549 -0.429 0.372 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.713 -2.128 2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.285 -2.668 1.368 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.800 -1.511 2.593 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.764 -3.210 4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.116 -5.788 4.835 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.819 -5.212 5.776 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.629 -0.361 4.278 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.598 0.778 5.188 1.00 0.00 C ATOM 1067 C ASN A 71 -10.255 0.864 5.908 1.00 0.00 C ATOM 1068 O ASN A 71 -9.633 -0.155 6.206 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.732 0.671 6.211 1.00 0.00 C ATOM 1070 CG ASN A 71 -13.293 2.027 6.596 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -13.683 2.816 5.736 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -13.335 2.302 7.894 1.00 0.00 N ATOM 0 H ASN A 71 -11.428 -1.259 4.719 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.733 1.685 4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.531 0.053 5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.365 0.165 7.104 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.702 3.198 8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.000 1.617 8.572 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.816 2.087 6.185 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.548 2.307 6.871 1.00 0.00 C ATOM 1081 C VAL A 72 -8.586 3.586 7.698 1.00 0.00 C ATOM 1082 O VAL A 72 -9.199 4.577 7.301 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.377 2.389 5.873 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -6.070 2.657 6.604 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.286 1.110 5.054 1.00 0.00 C ATOM 0 H VAL A 72 -10.319 2.941 5.945 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.394 1.454 7.532 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.561 3.219 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.254 2.712 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.142 3.602 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.876 1.850 7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.454 1.185 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.125 0.262 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.214 0.966 4.500 1.00 0.00 H new ATOM 1095 N ALA A 73 -7.925 3.559 8.851 1.00 0.00 N ATOM 1096 CA ALA A 73 -7.880 4.717 9.735 1.00 0.00 C ATOM 1097 C ALA A 73 -6.450 5.024 10.166 1.00 0.00 C ATOM 1098 O ALA A 73 -6.105 4.895 11.341 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.763 4.486 10.952 1.00 0.00 C ATOM 0 H ALA A 73 -7.413 2.747 9.195 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.258 5.579 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.720 5.359 11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.792 4.324 10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.411 3.609 11.496 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.623 5.430 9.209 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.230 5.756 9.491 1.00 0.00 C ATOM 1107 C ASP A 74 -3.545 4.617 10.239 1.00 0.00 C ATOM 1108 O ASP A 74 -3.053 4.798 11.353 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.140 7.046 10.308 1.00 0.00 C ATOM 1110 CG ASP A 74 -2.805 7.745 10.143 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.157 7.543 9.096 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.410 8.494 11.061 1.00 0.00 O ATOM 0 H ASP A 74 -5.893 5.541 8.232 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.718 5.901 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.940 7.721 10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.299 6.817 11.362 1.00 0.00 H new ATOM 1117 N SER A 75 -3.519 3.440 9.619 1.00 0.00 N ATOM 1118 CA SER A 75 -2.900 2.270 10.229 1.00 0.00 C ATOM 1119 C SER A 75 -1.706 1.798 9.407 1.00 0.00 C ATOM 1120 O SER A 75 -0.792 1.160 9.931 1.00 0.00 O ATOM 1121 CB SER A 75 -3.921 1.138 10.363 1.00 0.00 C ATOM 1122 OG SER A 75 -3.823 0.508 11.628 1.00 0.00 O ATOM 0 H SER A 75 -3.919 3.273 8.696 1.00 0.00 H new ATOM 0 HA SER A 75 -2.548 2.551 11.221 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.927 1.534 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.759 0.403 9.574 1.00 0.00 H new ATOM 0 HG SER A 75 -4.487 -0.210 11.688 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.720 2.114 8.117 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.640 1.722 7.220 1.00 0.00 C ATOM 1130 C GLN A 76 -0.533 0.203 7.128 1.00 0.00 C ATOM 1131 O GLN A 76 0.491 -0.331 6.700 1.00 0.00 O ATOM 1132 CB GLN A 76 0.689 2.308 7.703 1.00 0.00 C ATOM 1133 CG GLN A 76 1.110 3.560 6.950 1.00 0.00 C ATOM 1134 CD GLN A 76 2.177 4.351 7.682 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.825 5.269 6.973 1.00 0.00 O flip ATOM 1136 NE2 GLN A 76 2.418 4.138 8.870 1.00 0.00 N flip ATOM 0 H GLN A 76 -2.469 2.642 7.669 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.865 2.114 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.609 2.542 8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.468 1.553 7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.483 3.279 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.238 4.194 6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.896 3.423 9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.140 4.677 9.348 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.596 -0.485 7.531 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.622 -1.942 7.490 1.00 0.00 C ATOM 1147 C ILE A 77 -3.043 -2.471 7.665 1.00 0.00 C ATOM 1148 O ILE A 77 -3.789 -2.006 8.526 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.722 -2.551 8.582 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.590 -4.061 8.380 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.283 -2.241 9.963 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.406 -4.710 9.316 1.00 0.00 C ATOM 0 H ILE A 77 -2.450 -0.057 7.889 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.244 -2.238 6.511 1.00 0.00 H new ATOM 0 HB ILE A 77 0.270 -2.106 8.506 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.566 -4.525 8.522 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.290 -4.257 7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.637 -2.678 10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.330 -1.161 10.103 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.284 -2.662 10.052 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.448 -5.781 9.117 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.392 -4.272 9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.096 -4.545 10.348 1.00 0.00 H new ATOM 1164 N THR A 78 -3.409 -3.447 6.841 1.00 0.00 N ATOM 1165 CA THR A 78 -4.737 -4.042 6.902 1.00 0.00 C ATOM 1166 C THR A 78 -4.699 -5.519 6.526 1.00 0.00 C ATOM 1167 O THR A 78 -3.931 -5.927 5.656 1.00 0.00 O ATOM 1168 CB THR A 78 -5.723 -3.312 5.970 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.057 -3.775 6.209 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.356 -3.537 4.512 1.00 0.00 C ATOM 0 H THR A 78 -2.803 -3.843 6.122 1.00 0.00 H new ATOM 0 HA THR A 78 -5.079 -3.942 7.932 1.00 0.00 H new ATOM 0 HB THR A 78 -5.666 -2.244 6.182 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.677 -3.017 6.176 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.066 -3.012 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.351 -3.157 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.387 -4.604 4.289 1.00 0.00 H new ATOM 1178 N THR A 79 -5.533 -6.314 7.188 1.00 0.00 N ATOM 1179 CA THR A 79 -5.593 -7.747 6.924 1.00 0.00 C ATOM 1180 C THR A 79 -6.956 -8.147 6.373 1.00 0.00 C ATOM 1181 O THR A 79 -7.976 -7.994 7.046 1.00 0.00 O ATOM 1182 CB THR A 79 -5.304 -8.566 8.196 1.00 0.00 C ATOM 1183 OG1 THR A 79 -6.074 -8.056 9.291 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.825 -8.521 8.545 1.00 0.00 C ATOM 0 H THR A 79 -6.176 -5.991 7.911 1.00 0.00 H new ATOM 0 HA THR A 79 -4.826 -7.964 6.181 1.00 0.00 H new ATOM 0 HB THR A 79 -5.584 -9.602 8.006 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.934 -7.722 8.959 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.646 -9.107 9.447 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.244 -8.936 7.721 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.523 -7.488 8.717 1.00 0.00 H new ATOM 1192 N ILE A 80 -6.967 -8.661 5.147 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.205 -9.085 4.508 1.00 0.00 C ATOM 1194 C ILE A 80 -8.307 -10.605 4.457 1.00 0.00 C ATOM 1195 O ILE A 80 -7.327 -11.293 4.173 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.321 -8.527 3.078 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.264 -6.997 3.098 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.609 -9.005 2.424 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.146 -6.379 1.722 1.00 0.00 C ATOM 0 H ILE A 80 -6.131 -8.793 4.577 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.021 -8.689 5.112 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.480 -8.897 2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.162 -6.614 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.415 -6.681 3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.676 -8.602 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.613 -10.094 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.463 -8.662 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.111 -5.293 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.234 -6.733 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.008 -6.665 1.120 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.498 -11.124 4.733 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.705 -12.561 4.712 1.00 0.00 C ATOM 1213 C GLY A 81 -11.046 -12.945 4.116 1.00 0.00 C ATOM 1214 O GLY A 81 -11.699 -12.131 3.466 1.00 0.00 O ATOM 0 H GLY A 81 -10.324 -10.576 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.907 -13.032 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.638 -12.950 5.728 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.455 -14.190 4.337 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.725 -14.681 3.815 1.00 0.00 C ATOM 1220 C ASN A 82 -12.725 -14.675 2.289 1.00 0.00 C ATOM 1221 O ASN A 82 -13.739 -14.375 1.659 1.00 0.00 O ATOM 1222 CB ASN A 82 -13.880 -13.828 4.340 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.229 -14.492 4.138 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.506 -15.545 4.713 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.074 -13.878 3.319 1.00 0.00 N ATOM 0 H ASN A 82 -10.926 -14.877 4.874 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.857 -15.708 4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.730 -13.632 5.402 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.874 -12.863 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.996 -14.277 3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.801 -13.007 2.864 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.581 -15.007 1.702 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.447 -15.040 0.250 1.00 0.00 C ATOM 1234 C LEU A 83 -11.385 -16.477 -0.260 1.00 0.00 C ATOM 1235 O LEU A 83 -11.549 -17.425 0.508 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.194 -14.278 -0.186 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.874 -13.009 0.603 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.482 -12.502 0.258 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.917 -11.934 0.332 1.00 0.00 C ATOM 0 H LEU A 83 -10.732 -15.257 2.209 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.325 -14.559 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.340 -14.952 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.303 -14.011 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.898 -13.250 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.272 -11.598 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.745 -13.266 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.430 -12.278 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.673 -11.038 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.926 -11.696 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.900 -12.297 0.631 1.00 0.00 H new ATOM 1251 N VAL A 84 -11.145 -16.629 -1.558 1.00 0.00 N ATOM 1252 CA VAL A 84 -11.057 -17.951 -2.168 1.00 0.00 C ATOM 1253 C VAL A 84 -9.645 -18.230 -2.672 1.00 0.00 C ATOM 1254 O VAL A 84 -9.020 -17.402 -3.332 1.00 0.00 O ATOM 1255 CB VAL A 84 -12.045 -18.093 -3.340 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.790 -17.023 -4.390 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -11.949 -19.484 -3.952 1.00 0.00 C ATOM 0 H VAL A 84 -11.008 -15.854 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.314 -18.675 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.056 -17.957 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.499 -17.141 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.914 -16.037 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.774 -17.123 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.654 -19.567 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.937 -19.650 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.187 -20.232 -3.195 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.129 -19.427 -2.353 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.786 -19.845 -2.764 1.00 0.00 C ATOM 1269 C PRO A 85 -7.690 -20.094 -4.266 1.00 0.00 C ATOM 1270 O PRO A 85 -8.702 -20.289 -4.936 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.567 -21.147 -1.991 1.00 0.00 C ATOM 1272 CG PRO A 85 -8.939 -21.672 -1.737 1.00 0.00 C ATOM 1273 CD PRO A 85 -9.819 -20.464 -1.567 1.00 0.00 C ATOM 0 HA PRO A 85 -7.039 -19.079 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.973 -21.855 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.032 -20.968 -1.058 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.280 -22.290 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.959 -22.298 -0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.827 -20.646 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.912 -20.179 -0.519 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.467 -20.086 -4.784 1.00 0.00 N ATOM 1282 CA GLN A 86 -6.240 -20.312 -6.208 1.00 0.00 C ATOM 1283 C GLN A 86 -7.106 -19.382 -7.051 1.00 0.00 C ATOM 1284 O GLN A 86 -7.828 -19.828 -7.943 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.535 -21.769 -6.567 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.723 -22.770 -5.763 1.00 0.00 C ATOM 1287 CD GLN A 86 -5.900 -24.193 -6.253 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -7.023 -24.659 -6.451 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -4.790 -24.894 -6.453 1.00 0.00 N ATOM 0 H GLN A 86 -5.618 -19.926 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.193 -20.097 -6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.596 -21.965 -6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.336 -21.921 -7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.668 -22.501 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.016 -22.712 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.880 -24.469 -6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.848 -25.857 -6.783 1.00 0.00 H new ATOM 1298 N LYS A 87 -7.032 -18.087 -6.761 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.807 -17.092 -7.492 1.00 0.00 C ATOM 1300 C LYS A 87 -7.116 -15.733 -7.464 1.00 0.00 C ATOM 1301 O LYS A 87 -6.802 -15.207 -6.394 1.00 0.00 O ATOM 1302 CB LYS A 87 -9.213 -16.975 -6.899 1.00 0.00 C ATOM 1303 CG LYS A 87 -10.088 -18.188 -7.162 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.279 -18.426 -8.651 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.750 -18.385 -9.038 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.937 -18.475 -10.512 1.00 0.00 N ATOM 0 H LYS A 87 -6.442 -17.702 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.883 -17.418 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.133 -16.822 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.699 -16.091 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.636 -19.069 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.059 -18.047 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.732 -17.670 -9.214 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.857 -19.393 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.276 -19.208 -8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.197 -17.461 -8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.952 -18.444 -10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.456 -17.676 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.533 -19.368 -10.859 1.00 0.00 H new ATOM 1320 N THR A 88 -6.882 -15.168 -8.644 1.00 0.00 N ATOM 1321 CA THR A 88 -6.229 -13.869 -8.752 1.00 0.00 C ATOM 1322 C THR A 88 -7.070 -12.775 -8.106 1.00 0.00 C ATOM 1323 O THR A 88 -8.283 -12.711 -8.306 1.00 0.00 O ATOM 1324 CB THR A 88 -5.962 -13.497 -10.222 1.00 0.00 C ATOM 1325 OG1 THR A 88 -5.117 -14.479 -10.832 1.00 0.00 O ATOM 1326 CG2 THR A 88 -5.309 -12.126 -10.323 1.00 0.00 C ATOM 0 H THR A 88 -7.135 -15.589 -9.538 1.00 0.00 H new ATOM 0 HA THR A 88 -5.277 -13.948 -8.226 1.00 0.00 H new ATOM 0 HB THR A 88 -6.918 -13.467 -10.745 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.954 -14.235 -11.767 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.130 -11.885 -11.371 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.968 -11.376 -9.885 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.361 -12.134 -9.785 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.417 -11.913 -7.332 1.00 0.00 N ATOM 1335 CA TYR A 89 -7.107 -10.822 -6.656 1.00 0.00 C ATOM 1336 C TYR A 89 -6.358 -9.505 -6.844 1.00 0.00 C ATOM 1337 O TYR A 89 -5.132 -9.457 -6.753 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.252 -11.129 -5.164 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.577 -11.761 -4.802 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.695 -10.978 -4.543 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.712 -13.141 -4.718 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.908 -11.549 -4.212 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -9.921 -13.722 -4.389 1.00 0.00 C ATOM 1344 CZ TYR A 89 -11.016 -12.923 -4.137 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.221 -13.499 -3.806 1.00 0.00 O ATOM 0 H TYR A 89 -5.413 -11.950 -7.158 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.098 -10.723 -7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.446 -11.796 -4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.133 -10.205 -4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.614 -9.903 -4.602 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.857 -13.771 -4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.766 -10.925 -4.013 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.008 -14.797 -4.329 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.936 -12.834 -3.890 1.00 0.00 H new ATOM 1355 N SER A 90 -7.108 -8.438 -7.105 1.00 0.00 N ATOM 1356 CA SER A 90 -6.516 -7.122 -7.311 1.00 0.00 C ATOM 1357 C SER A 90 -6.355 -6.387 -5.984 1.00 0.00 C ATOM 1358 O SER A 90 -7.088 -6.638 -5.028 1.00 0.00 O ATOM 1359 CB SER A 90 -7.382 -6.294 -8.264 1.00 0.00 C ATOM 1360 OG SER A 90 -8.737 -6.290 -7.846 1.00 0.00 O ATOM 0 H SER A 90 -8.125 -8.460 -7.179 1.00 0.00 H new ATOM 0 HA SER A 90 -5.529 -7.258 -7.754 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.008 -5.271 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.310 -6.701 -9.273 1.00 0.00 H new ATOM 0 HG SER A 90 -9.136 -5.415 -8.037 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.387 -5.478 -5.933 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.127 -4.704 -4.724 1.00 0.00 C ATOM 1368 C VAL A 91 -4.567 -3.327 -5.063 1.00 0.00 C ATOM 1369 O VAL A 91 -3.693 -3.193 -5.920 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.140 -5.432 -3.793 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -3.860 -4.596 -2.554 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.681 -6.802 -3.412 1.00 0.00 C ATOM 0 H VAL A 91 -4.769 -5.259 -6.715 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.082 -4.589 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.200 -5.573 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.161 -5.126 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.427 -3.640 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.791 -4.421 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.971 -7.303 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.635 -6.686 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.825 -7.399 -4.312 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.076 -2.304 -4.383 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.626 -0.936 -4.609 1.00 0.00 C ATOM 1384 C LYS A 92 -4.657 -0.132 -3.314 1.00 0.00 C ATOM 1385 O LYS A 92 -5.339 -0.501 -2.358 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.503 -0.257 -5.664 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.775 -1.125 -6.880 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.597 -0.383 -7.921 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.766 0.661 -8.649 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.198 0.828 -10.064 1.00 0.00 N ATOM 0 H LYS A 92 -5.800 -2.397 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.598 -0.973 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.453 0.024 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.020 0.665 -5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.830 -1.443 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.303 -2.028 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.001 -1.094 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.447 0.099 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.847 1.616 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.715 0.372 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.606 1.549 -10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.097 -0.077 -10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.193 1.129 -10.090 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.914 0.971 -3.288 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.858 1.828 -2.111 1.00 0.00 C ATOM 1406 C VAL A 93 -3.708 3.293 -2.504 1.00 0.00 C ATOM 1407 O VAL A 93 -3.087 3.614 -3.518 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.691 1.435 -1.185 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -2.738 2.238 0.106 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.722 -0.059 -0.894 1.00 0.00 C ATOM 0 H VAL A 93 -3.343 1.291 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.798 1.692 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.754 1.665 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.906 1.946 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.664 3.301 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.678 2.043 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.891 -0.319 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.663 -0.315 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.635 -0.614 -1.828 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.280 4.179 -1.695 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.210 5.611 -1.958 1.00 0.00 C ATOM 1422 C LEU A 94 -4.272 6.407 -0.659 1.00 0.00 C ATOM 1423 O LEU A 94 -4.576 5.860 0.402 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.350 6.036 -2.885 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.707 6.268 -2.217 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.852 7.720 -1.793 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.837 5.869 -3.154 1.00 0.00 C ATOM 0 H LEU A 94 -4.797 3.930 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.257 5.819 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.056 6.954 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.471 5.272 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.763 5.644 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.823 7.866 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.062 7.973 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.775 8.364 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.795 6.041 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.784 6.467 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.743 4.813 -3.408 1.00 0.00 H new ATOM 1439 N ALA A 95 -3.986 7.702 -0.749 1.00 0.00 N ATOM 1440 CA ALA A 95 -4.014 8.574 0.420 1.00 0.00 C ATOM 1441 C ALA A 95 -5.003 9.717 0.227 1.00 0.00 C ATOM 1442 O ALA A 95 -5.118 10.275 -0.865 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.622 9.120 0.704 1.00 0.00 C ATOM 0 H ALA A 95 -3.732 8.171 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.343 7.984 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.657 9.769 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.938 8.293 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.272 9.690 -0.157 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.716 10.063 1.294 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.698 11.140 1.241 1.00 0.00 C ATOM 1451 C PHE A 96 -6.718 11.921 2.551 1.00 0.00 C ATOM 1452 O PHE A 96 -6.435 11.375 3.620 1.00 0.00 O ATOM 1453 CB PHE A 96 -8.089 10.576 0.950 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.700 9.850 2.116 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.446 10.535 3.061 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.525 8.485 2.266 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -10.009 9.870 4.135 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -9.085 7.815 3.338 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.827 8.509 4.274 1.00 0.00 C ATOM 0 H PHE A 96 -5.632 9.613 2.206 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.413 11.819 0.437 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.748 11.392 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -8.026 9.895 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.590 11.600 2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.945 7.938 1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.590 10.415 4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.942 6.750 3.444 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.264 7.988 5.113 1.00 0.00 H new ATOM 1469 N THR A 97 -7.053 13.204 2.463 1.00 0.00 N ATOM 1470 CA THR A 97 -7.109 14.063 3.640 1.00 0.00 C ATOM 1471 C THR A 97 -8.425 14.831 3.699 1.00 0.00 C ATOM 1472 O THR A 97 -9.281 14.682 2.828 1.00 0.00 O ATOM 1473 CB THR A 97 -5.941 15.067 3.658 1.00 0.00 C ATOM 1474 OG1 THR A 97 -6.053 15.969 2.553 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.605 14.342 3.596 1.00 0.00 C ATOM 0 H THR A 97 -7.290 13.672 1.588 1.00 0.00 H new ATOM 0 HA THR A 97 -7.033 13.411 4.511 1.00 0.00 H new ATOM 0 HB THR A 97 -5.988 15.630 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.308 16.605 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.795 15.071 3.610 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.511 13.678 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.551 13.757 2.678 1.00 0.00 H new ATOM 1483 N SER A 98 -8.579 15.654 4.731 1.00 0.00 N ATOM 1484 CA SER A 98 -9.792 16.445 4.904 1.00 0.00 C ATOM 1485 C SER A 98 -10.078 17.281 3.661 1.00 0.00 C ATOM 1486 O SER A 98 -11.229 17.617 3.376 1.00 0.00 O ATOM 1487 CB SER A 98 -9.662 17.355 6.127 1.00 0.00 C ATOM 1488 OG SER A 98 -10.910 17.933 6.466 1.00 0.00 O ATOM 0 H SER A 98 -7.879 15.791 5.460 1.00 0.00 H new ATOM 0 HA SER A 98 -10.625 15.759 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.281 16.782 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.936 18.142 5.923 1.00 0.00 H new ATOM 0 HG SER A 98 -10.801 18.509 7.251 1.00 0.00 H new ATOM 1494 N ILE A 99 -9.024 17.613 2.923 1.00 0.00 N ATOM 1495 CA ILE A 99 -9.160 18.409 1.710 1.00 0.00 C ATOM 1496 C ILE A 99 -9.826 17.605 0.598 1.00 0.00 C ATOM 1497 O ILE A 99 -10.941 17.913 0.176 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.795 18.918 1.213 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -7.101 19.729 2.308 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -7.968 19.757 -0.045 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.838 20.995 2.684 1.00 0.00 C ATOM 0 H ILE A 99 -8.066 17.343 3.144 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.786 19.265 1.963 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.170 18.059 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.991 19.106 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.096 19.989 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.994 20.110 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.427 19.151 -0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.608 20.612 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.287 21.518 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.925 21.639 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.833 20.742 3.049 1.00 0.00 H new ATOM 1513 N GLY A 100 -9.136 16.572 0.127 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.675 15.738 -0.931 1.00 0.00 C ATOM 1515 C GLY A 100 -9.037 14.364 -0.969 1.00 0.00 C ATOM 1516 O GLY A 100 -8.658 13.819 0.068 1.00 0.00 O ATOM 0 H GLY A 100 -8.212 16.297 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.751 15.632 -0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.524 16.232 -1.891 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.921 13.801 -2.167 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.325 12.480 -2.336 1.00 0.00 C ATOM 1522 C ASP A 101 -7.047 12.562 -3.165 1.00 0.00 C ATOM 1523 O ASP A 101 -6.817 13.541 -3.874 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.320 11.529 -3.002 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.181 12.226 -4.039 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.616 12.763 -5.014 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.418 12.234 -3.873 1.00 0.00 O ATOM 0 H ASP A 101 -9.231 14.238 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.072 12.094 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.776 10.712 -3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.961 11.086 -2.240 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.217 11.527 -3.069 1.00 0.00 N ATOM 1533 CA GLY A 102 -4.973 11.503 -3.814 1.00 0.00 C ATOM 1534 C GLY A 102 -4.948 10.410 -4.866 1.00 0.00 C ATOM 1535 O GLY A 102 -5.827 9.550 -4.919 1.00 0.00 O ATOM 0 H GLY A 102 -6.385 10.705 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.822 12.469 -4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.142 11.358 -3.124 1.00 0.00 H new ATOM 1539 N PRO A 103 -3.922 10.439 -5.730 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.762 9.451 -6.802 1.00 0.00 C ATOM 1541 C PRO A 103 -3.403 8.068 -6.268 1.00 0.00 C ATOM 1542 O PRO A 103 -2.530 7.932 -5.409 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.611 10.017 -7.637 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.834 10.863 -6.687 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.838 11.436 -5.726 1.00 0.00 C ATOM 0 HA PRO A 103 -4.685 9.307 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.994 9.220 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -2.983 10.604 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.084 10.272 -6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.303 11.655 -7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.413 11.564 -4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.191 12.415 -6.050 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.080 7.047 -6.780 1.00 0.00 N ATOM 1554 CA LEU A 104 -3.831 5.675 -6.355 1.00 0.00 C ATOM 1555 C LEU A 104 -2.421 5.233 -6.735 1.00 0.00 C ATOM 1556 O LEU A 104 -1.716 5.933 -7.462 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.858 4.731 -6.983 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.270 4.793 -6.401 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.300 4.947 -7.509 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.560 3.550 -5.570 1.00 0.00 C ATOM 0 H LEU A 104 -4.806 7.143 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.925 5.636 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.916 4.948 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.491 3.709 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.335 5.665 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.299 4.989 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.106 5.866 -8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.235 4.096 -8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.570 3.611 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.475 2.664 -6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.843 3.484 -4.752 1.00 0.00 H new ATOM 1572 N SER A 105 -2.016 4.069 -6.237 1.00 0.00 N ATOM 1573 CA SER A 105 -0.690 3.535 -6.522 1.00 0.00 C ATOM 1574 C SER A 105 -0.746 2.517 -7.659 1.00 0.00 C ATOM 1575 O SER A 105 -1.819 2.205 -8.173 1.00 0.00 O ATOM 1576 CB SER A 105 -0.097 2.887 -5.270 1.00 0.00 C ATOM 1577 OG SER A 105 -0.171 1.472 -5.345 1.00 0.00 O ATOM 0 H SER A 105 -2.588 3.478 -5.634 1.00 0.00 H new ATOM 0 HA SER A 105 -0.051 4.363 -6.830 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.942 3.195 -5.155 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.633 3.236 -4.387 1.00 0.00 H new ATOM 0 HG SER A 105 0.216 1.081 -4.534 1.00 0.00 H new ATOM 1583 N SER A 106 0.418 2.003 -8.042 1.00 0.00 N ATOM 1584 CA SER A 106 0.503 1.025 -9.119 1.00 0.00 C ATOM 1585 C SER A 106 -0.307 -0.224 -8.783 1.00 0.00 C ATOM 1586 O SER A 106 0.020 -0.958 -7.851 1.00 0.00 O ATOM 1587 CB SER A 106 1.963 0.644 -9.378 1.00 0.00 C ATOM 1588 OG SER A 106 2.845 1.575 -8.776 1.00 0.00 O ATOM 0 H SER A 106 1.315 2.248 -7.622 1.00 0.00 H new ATOM 0 HA SER A 106 0.087 1.477 -10.020 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.158 -0.354 -8.984 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.147 0.605 -10.452 1.00 0.00 H new ATOM 0 HG SER A 106 3.772 1.310 -8.954 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.367 -0.457 -9.549 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.225 -1.616 -9.336 1.00 0.00 C ATOM 1596 C ASP A 107 -1.407 -2.904 -9.321 1.00 0.00 C ATOM 1597 O ASP A 107 -0.605 -3.150 -10.223 1.00 0.00 O ATOM 1598 CB ASP A 107 -3.298 -1.691 -10.422 1.00 0.00 C ATOM 1599 CG ASP A 107 -4.061 -3.001 -10.394 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -4.252 -3.552 -9.290 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -4.466 -3.476 -11.477 1.00 0.00 O ATOM 0 H ASP A 107 -1.653 0.142 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.709 -1.504 -8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.997 -0.864 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.831 -1.567 -11.399 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.614 -3.720 -8.295 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.895 -4.981 -8.165 1.00 0.00 C ATOM 1608 C ILE A 108 -1.859 -6.162 -8.123 1.00 0.00 C ATOM 1609 O ILE A 108 -3.064 -5.985 -7.951 1.00 0.00 O ATOM 1610 CB ILE A 108 -0.020 -5.003 -6.898 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.833 -4.550 -5.682 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.203 -4.118 -7.083 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.045 -4.560 -4.392 1.00 0.00 C ATOM 0 H ILE A 108 -2.274 -3.531 -7.541 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.253 -5.069 -9.042 1.00 0.00 H new ATOM 0 HB ILE A 108 0.318 -6.025 -6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.209 -3.543 -5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.701 -5.200 -5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.811 -4.144 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.791 -4.481 -7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.885 -3.094 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.683 -4.228 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.309 -5.571 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.809 -3.888 -4.482 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.319 -7.366 -8.282 1.00 0.00 N ATOM 1626 CA GLN A 109 -2.133 -8.576 -8.261 1.00 0.00 C ATOM 1627 C GLN A 109 -1.439 -9.683 -7.473 1.00 0.00 C ATOM 1628 O GLN A 109 -0.279 -10.005 -7.724 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.416 -9.050 -9.687 1.00 0.00 C ATOM 1630 CG GLN A 109 -3.010 -7.971 -10.579 1.00 0.00 C ATOM 1631 CD GLN A 109 -4.432 -7.614 -10.195 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -5.180 -8.450 -9.691 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -4.812 -6.363 -10.432 1.00 0.00 N ATOM 0 H GLN A 109 -0.323 -7.530 -8.427 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.077 -8.341 -7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.488 -9.409 -10.133 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -3.101 -9.897 -9.650 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.388 -7.077 -10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.992 -8.310 -11.615 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.158 -5.702 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.758 -6.063 -10.194 1.00 0.00 H new ATOM 1642 N VAL A 110 -2.160 -10.263 -6.519 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.616 -11.336 -5.694 1.00 0.00 C ATOM 1644 C VAL A 110 -2.527 -12.558 -5.710 1.00 0.00 C ATOM 1645 O VAL A 110 -3.739 -12.443 -5.527 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.416 -10.878 -4.238 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.739 -10.438 -3.630 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.783 -11.989 -3.412 1.00 0.00 C ATOM 0 H VAL A 110 -3.123 -10.008 -6.298 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.648 -11.602 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.740 -10.023 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.578 -10.118 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.147 -9.609 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.441 -11.271 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.649 -11.648 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.432 -12.865 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.186 -12.251 -3.837 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.936 -13.727 -5.930 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.695 -14.971 -5.968 1.00 0.00 C ATOM 1660 C ILE A 111 -2.824 -15.580 -4.575 1.00 0.00 C ATOM 1661 O ILE A 111 -1.869 -15.590 -3.798 1.00 0.00 O ATOM 1662 CB ILE A 111 -2.040 -16.002 -6.906 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.935 -15.439 -8.324 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.834 -17.300 -6.904 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.552 -15.567 -8.924 1.00 0.00 C ATOM 0 H ILE A 111 -0.934 -13.839 -6.085 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.686 -14.723 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.034 -16.213 -6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.650 -15.955 -8.965 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.221 -14.387 -8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.358 -18.018 -7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.863 -17.707 -5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.851 -17.105 -7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.552 -15.147 -9.930 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.165 -15.027 -8.305 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.271 -16.619 -8.970 1.00 0.00 H new ATOM 1677 N THR A 112 -4.013 -16.086 -4.265 1.00 0.00 N ATOM 1678 CA THR A 112 -4.269 -16.696 -2.966 1.00 0.00 C ATOM 1679 C THR A 112 -3.669 -18.097 -2.889 1.00 0.00 C ATOM 1680 O THR A 112 -4.309 -19.077 -3.267 1.00 0.00 O ATOM 1681 CB THR A 112 -5.778 -16.781 -2.671 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.490 -17.136 -3.862 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.301 -15.455 -2.139 1.00 0.00 C ATOM 0 H THR A 112 -4.814 -16.086 -4.896 1.00 0.00 H new ATOM 0 HA THR A 112 -3.796 -16.058 -2.219 1.00 0.00 H new ATOM 0 HB THR A 112 -5.935 -17.547 -1.911 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.454 -17.081 -3.696 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.369 -15.539 -1.938 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.777 -15.201 -1.218 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.132 -14.674 -2.880 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.437 -18.180 -2.395 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.752 -19.462 -2.270 1.00 0.00 C ATOM 1693 C GLN A 113 -0.912 -19.505 -0.996 1.00 0.00 C ATOM 1694 O GLN A 113 -0.207 -18.551 -0.672 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.863 -19.712 -3.489 1.00 0.00 C ATOM 1696 CG GLN A 113 0.403 -18.871 -3.502 1.00 0.00 C ATOM 1697 CD GLN A 113 1.175 -18.998 -4.802 1.00 0.00 C ATOM 1698 OE1 GLN A 113 0.661 -19.517 -5.793 1.00 0.00 O ATOM 1699 NE2 GLN A 113 2.413 -18.521 -4.803 1.00 0.00 N ATOM 0 H GLN A 113 -1.894 -17.377 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.507 -20.246 -2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.589 -20.767 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.435 -19.506 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.142 -17.825 -3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.043 -19.172 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.798 -18.099 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.980 -18.576 -5.649 1.00 0.00 H new