USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 670 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 57 TYR OH : rot 145:sc= 0.522 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.398 X(o=0.92,f=0.52) USER MOD Single : A 16 THR OG1 : rot -34:sc= 0.612 USER MOD Single : A 19 SER OG : rot 93:sc= -0.339 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 24 ASN : amide:sc=-0.00966 X(o=-0.0097,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.4) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.81! C(o=-2.8!,f=-4.8!) USER MOD Single : A 40 GLN : amide:sc= -0.0415 K(o=-0.042,f=-0.96) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 141:sc= -2.31! USER MOD Single : A 54 LYS NZ :NH3+ -128:sc= -0.154 (180deg=-2.18!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 152:sc= 0.609 USER MOD Single : A 71 ASN : amide:sc= -0.056 K(o=-0.056,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= -0.0261 (180deg=-0.0425) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 99 THR OG1 : rot -178:sc= 0.344 USER MOD Single : A 100 SER OG : rot 69:sc= -0.676! USER MOD Single : A 101 SER OG : rot 120:sc= -0.141 USER MOD Single : A 103 GLN : amide:sc= -0.637 K(o=-0.64,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -6.217 -24.729 -0.680 1.00 0.00 N ATOM 199 CA THR A 16 -5.560 -23.875 -1.654 1.00 0.00 C ATOM 200 C THR A 16 -6.084 -22.442 -1.548 1.00 0.00 C ATOM 201 O THR A 16 -7.217 -22.222 -1.122 1.00 0.00 O ATOM 202 CB THR A 16 -5.762 -24.495 -3.038 1.00 0.00 C ATOM 203 OG1 THR A 16 -7.155 -24.787 -3.088 1.00 0.00 O ATOM 204 CG2 THR A 16 -5.090 -25.864 -3.171 1.00 0.00 C ATOM 0 HA THR A 16 -4.489 -23.810 -1.464 1.00 0.00 H new ATOM 0 HB THR A 16 -5.367 -23.821 -3.798 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.469 -25.038 -2.194 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.264 -26.259 -4.172 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.018 -25.761 -3.003 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.509 -26.548 -2.433 1.00 0.00 H new ATOM 212 N PRO A 17 -5.214 -21.480 -1.954 1.00 0.00 N ATOM 213 CA PRO A 17 -5.578 -20.074 -1.909 1.00 0.00 C ATOM 214 C PRO A 17 -6.547 -19.722 -3.039 1.00 0.00 C ATOM 215 O PRO A 17 -6.782 -20.531 -3.935 1.00 0.00 O ATOM 216 CB PRO A 17 -4.259 -19.323 -2.002 1.00 0.00 C ATOM 217 CG PRO A 17 -3.253 -20.315 -2.562 1.00 0.00 C ATOM 218 CD PRO A 17 -3.864 -21.703 -2.465 1.00 0.00 C ATOM 0 HA PRO A 17 -6.110 -19.806 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.351 -18.452 -2.650 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.946 -18.960 -1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.015 -20.074 -3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.319 -20.269 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.885 -22.195 -3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.288 -22.343 -1.796 1.00 0.00 H new ATOM 226 N PRO A 18 -7.099 -18.481 -2.957 1.00 0.00 N ATOM 227 CA PRO A 18 -8.038 -18.012 -3.962 1.00 0.00 C ATOM 228 C PRO A 18 -7.315 -17.643 -5.258 1.00 0.00 C ATOM 229 O PRO A 18 -7.833 -17.872 -6.350 1.00 0.00 O ATOM 230 CB PRO A 18 -8.745 -16.831 -3.318 1.00 0.00 C ATOM 231 CG PRO A 18 -7.859 -16.393 -2.164 1.00 0.00 C ATOM 232 CD PRO A 18 -6.845 -17.497 -1.910 1.00 0.00 C ATOM 0 HA PRO A 18 -8.757 -18.777 -4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.883 -16.021 -4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.736 -17.115 -2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.353 -15.458 -2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.457 -16.211 -1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.825 -17.117 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.973 -17.932 -0.919 1.00 0.00 H new ATOM 240 N SER A 19 -6.128 -17.076 -5.095 1.00 0.00 N ATOM 241 CA SER A 19 -5.328 -16.672 -6.239 1.00 0.00 C ATOM 242 C SER A 19 -5.789 -15.303 -6.743 1.00 0.00 C ATOM 243 O SER A 19 -5.175 -14.729 -7.641 1.00 0.00 O ATOM 244 CB SER A 19 -5.412 -17.707 -7.363 1.00 0.00 C ATOM 245 OG SER A 19 -5.631 -19.023 -6.862 1.00 0.00 O ATOM 0 H SER A 19 -5.701 -16.887 -4.188 1.00 0.00 H new ATOM 0 HA SER A 19 -4.288 -16.604 -5.921 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.221 -17.439 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.489 -17.689 -7.942 1.00 0.00 H new ATOM 0 HG SER A 19 -6.593 -19.209 -6.841 1.00 0.00 H new ATOM 251 N GLN A 20 -6.867 -14.819 -6.142 1.00 0.00 N ATOM 252 CA GLN A 20 -7.417 -13.528 -6.519 1.00 0.00 C ATOM 253 C GLN A 20 -6.722 -12.408 -5.742 1.00 0.00 C ATOM 254 O GLN A 20 -6.790 -12.364 -4.515 1.00 0.00 O ATOM 255 CB GLN A 20 -8.930 -13.491 -6.298 1.00 0.00 C ATOM 256 CG GLN A 20 -9.381 -12.109 -5.821 1.00 0.00 C ATOM 257 CD GLN A 20 -10.884 -11.918 -6.038 1.00 0.00 C ATOM 258 OE1 GLN A 20 -11.646 -12.863 -6.152 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.265 -10.645 -6.088 1.00 0.00 N ATOM 0 H GLN A 20 -7.374 -15.298 -5.397 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.234 -13.374 -7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.443 -13.745 -7.226 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.212 -14.244 -5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.145 -11.990 -4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.831 -11.337 -6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.574 -9.902 -5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.248 -10.412 -6.229 1.00 0.00 H new ATOM 268 N PRO A 21 -6.052 -11.506 -6.509 1.00 0.00 N ATOM 269 CA PRO A 21 -5.346 -10.389 -5.906 1.00 0.00 C ATOM 270 C PRO A 21 -6.324 -9.312 -5.434 1.00 0.00 C ATOM 271 O PRO A 21 -7.440 -9.216 -5.941 1.00 0.00 O ATOM 272 CB PRO A 21 -4.396 -9.896 -6.986 1.00 0.00 C ATOM 273 CG PRO A 21 -4.930 -10.450 -8.296 1.00 0.00 C ATOM 274 CD PRO A 21 -5.951 -11.527 -7.966 1.00 0.00 C ATOM 0 HA PRO A 21 -4.796 -10.674 -5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.361 -8.807 -7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.380 -10.244 -6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.389 -9.657 -8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.118 -10.864 -8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.913 -11.317 -8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.628 -12.503 -8.327 1.00 0.00 H new ATOM 282 N PRO A 22 -5.858 -8.508 -4.441 1.00 0.00 N ATOM 283 CA PRO A 22 -6.679 -7.441 -3.894 1.00 0.00 C ATOM 284 C PRO A 22 -6.759 -6.259 -4.862 1.00 0.00 C ATOM 285 O PRO A 22 -5.733 -5.740 -5.299 1.00 0.00 O ATOM 286 CB PRO A 22 -6.026 -7.081 -2.570 1.00 0.00 C ATOM 287 CG PRO A 22 -4.610 -7.630 -2.640 1.00 0.00 C ATOM 288 CD PRO A 22 -4.541 -8.592 -3.816 1.00 0.00 C ATOM 0 HA PRO A 22 -7.715 -7.744 -3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.019 -6.002 -2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.573 -7.517 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.892 -6.820 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.353 -8.142 -1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.753 -8.309 -4.514 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.324 -9.607 -3.485 1.00 0.00 H new ATOM 296 N GLY A 23 -7.987 -5.868 -5.169 1.00 0.00 N ATOM 297 CA GLY A 23 -8.214 -4.757 -6.077 1.00 0.00 C ATOM 298 C GLY A 23 -8.386 -3.446 -5.308 1.00 0.00 C ATOM 299 O GLY A 23 -8.302 -3.427 -4.081 1.00 0.00 O ATOM 0 H GLY A 23 -8.836 -6.301 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.375 -4.670 -6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.103 -4.950 -6.678 1.00 0.00 H new ATOM 303 N ASN A 24 -8.624 -2.382 -6.060 1.00 0.00 N ATOM 304 CA ASN A 24 -8.809 -1.070 -5.464 1.00 0.00 C ATOM 305 C ASN A 24 -7.606 -0.743 -4.577 1.00 0.00 C ATOM 306 O ASN A 24 -7.722 0.026 -3.625 1.00 0.00 O ATOM 307 CB ASN A 24 -10.064 -1.034 -4.589 1.00 0.00 C ATOM 308 CG ASN A 24 -10.726 0.344 -4.637 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.296 0.754 -5.635 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.620 1.035 -3.505 1.00 0.00 N ATOM 0 H ASN A 24 -8.693 -2.402 -7.077 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.911 -0.345 -6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.770 -1.792 -4.928 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.801 -1.280 -3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.029 1.967 -3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.129 0.633 -2.706 1.00 0.00 H new ATOM 317 N VAL A 25 -6.476 -1.344 -4.922 1.00 0.00 N ATOM 318 CA VAL A 25 -5.253 -1.127 -4.170 1.00 0.00 C ATOM 319 C VAL A 25 -4.835 0.340 -4.296 1.00 0.00 C ATOM 320 O VAL A 25 -4.135 0.711 -5.237 1.00 0.00 O ATOM 321 CB VAL A 25 -4.169 -2.099 -4.640 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.846 -1.838 -3.917 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.617 -3.550 -4.455 1.00 0.00 C ATOM 0 H VAL A 25 -6.383 -1.981 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.416 -1.330 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.007 -1.930 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.093 -2.543 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.514 -0.820 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.987 -1.965 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.829 -4.221 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.820 -3.736 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.522 -3.728 -5.036 1.00 0.00 H new ATOM 333 N VAL A 26 -5.283 1.134 -3.335 1.00 0.00 N ATOM 334 CA VAL A 26 -4.964 2.552 -3.327 1.00 0.00 C ATOM 335 C VAL A 26 -3.935 2.833 -2.230 1.00 0.00 C ATOM 336 O VAL A 26 -3.780 2.041 -1.302 1.00 0.00 O ATOM 337 CB VAL A 26 -6.245 3.375 -3.169 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.230 3.078 -4.302 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.889 3.130 -1.803 1.00 0.00 C ATOM 0 H VAL A 26 -5.864 0.823 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.517 2.848 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.976 4.430 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.132 3.675 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.770 3.327 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.491 2.020 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.797 3.727 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.138 2.074 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.191 3.415 -1.015 1.00 0.00 H new ATOM 349 N TRP A 27 -3.257 3.962 -2.374 1.00 0.00 N ATOM 350 CA TRP A 27 -2.247 4.357 -1.408 1.00 0.00 C ATOM 351 C TRP A 27 -2.429 5.848 -1.116 1.00 0.00 C ATOM 352 O TRP A 27 -3.301 6.495 -1.693 1.00 0.00 O ATOM 353 CB TRP A 27 -0.843 4.013 -1.910 1.00 0.00 C ATOM 354 CG TRP A 27 -0.505 4.619 -3.274 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.827 4.151 -4.488 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.239 5.832 -3.515 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.347 4.970 -5.489 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.322 6.025 -4.879 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.823 6.736 -2.611 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.981 7.115 -5.461 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.478 7.820 -3.208 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.571 8.028 -4.579 1.00 0.00 C ATOM 0 H TRP A 27 -3.388 4.616 -3.146 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.367 3.803 -0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.112 4.358 -1.179 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.745 2.929 -1.971 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.391 3.246 -4.661 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.462 4.828 -6.492 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.771 6.605 -1.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.031 7.244 -6.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.944 8.545 -2.557 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.096 8.890 -4.962 1.00 0.00 H new ATOM 373 N ASN A 28 -1.591 6.350 -0.221 1.00 0.00 N ATOM 374 CA ASN A 28 -1.648 7.752 0.155 1.00 0.00 C ATOM 375 C ASN A 28 -0.389 8.116 0.944 1.00 0.00 C ATOM 376 O ASN A 28 0.313 7.237 1.440 1.00 0.00 O ATOM 377 CB ASN A 28 -2.862 8.035 1.043 1.00 0.00 C ATOM 378 CG ASN A 28 -4.108 8.309 0.199 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.950 7.451 -0.007 1.00 0.00 O ATOM 380 ND2 ASN A 28 -4.178 9.549 -0.276 1.00 0.00 N ATOM 0 H ASN A 28 -0.868 5.810 0.255 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.723 8.343 -0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.043 7.184 1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.656 8.893 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.972 9.831 -0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.438 10.218 -0.065 1.00 0.00 H new ATOM 387 N ALA A 29 -0.142 9.415 1.035 1.00 0.00 N ATOM 388 CA ALA A 29 1.021 9.906 1.755 1.00 0.00 C ATOM 389 C ALA A 29 0.622 11.128 2.586 1.00 0.00 C ATOM 390 O ALA A 29 0.180 12.137 2.039 1.00 0.00 O ATOM 391 CB ALA A 29 2.143 10.218 0.762 1.00 0.00 C ATOM 0 H ALA A 29 -0.727 10.142 0.622 1.00 0.00 H new ATOM 0 HA ALA A 29 1.395 9.147 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.015 10.586 1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.409 9.312 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.805 10.978 0.058 1.00 0.00 H new ATOM 397 N THR A 30 0.792 10.996 3.893 1.00 0.00 N ATOM 398 CA THR A 30 0.456 12.076 4.804 1.00 0.00 C ATOM 399 C THR A 30 1.459 12.132 5.958 1.00 0.00 C ATOM 400 O THR A 30 2.141 11.149 6.241 1.00 0.00 O ATOM 401 CB THR A 30 -0.989 11.873 5.265 1.00 0.00 C ATOM 402 OG1 THR A 30 -1.095 12.672 6.440 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.252 10.449 5.758 1.00 0.00 C ATOM 0 H THR A 30 1.158 10.157 4.343 1.00 0.00 H new ATOM 0 HA THR A 30 0.522 13.045 4.310 1.00 0.00 H new ATOM 0 HB THR A 30 -1.667 12.104 4.443 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.002 12.600 6.804 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.292 10.359 6.073 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.055 9.743 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.597 10.229 6.601 1.00 0.00 H new ATOM 411 N ASP A 31 1.517 13.294 6.593 1.00 0.00 N ATOM 412 CA ASP A 31 2.426 13.492 7.710 1.00 0.00 C ATOM 413 C ASP A 31 3.807 12.948 7.340 1.00 0.00 C ATOM 414 O ASP A 31 4.613 13.652 6.733 1.00 0.00 O ATOM 415 CB ASP A 31 1.941 12.744 8.953 1.00 0.00 C ATOM 416 CG ASP A 31 0.938 13.509 9.818 1.00 0.00 C ATOM 417 OD1 ASP A 31 0.773 14.721 9.558 1.00 0.00 O ATOM 418 OD2 ASP A 31 0.358 12.866 10.720 1.00 0.00 O ATOM 0 H ASP A 31 0.950 14.108 6.355 1.00 0.00 H new ATOM 0 HA ASP A 31 2.469 14.560 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.485 11.805 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.806 12.489 9.566 1.00 0.00 H new ATOM 423 N THR A 32 4.039 11.701 7.722 1.00 0.00 N ATOM 424 CA THR A 32 5.309 11.055 7.438 1.00 0.00 C ATOM 425 C THR A 32 5.131 9.537 7.365 1.00 0.00 C ATOM 426 O THR A 32 5.950 8.786 7.892 1.00 0.00 O ATOM 427 CB THR A 32 6.313 11.498 8.503 1.00 0.00 C ATOM 428 OG1 THR A 32 5.688 11.151 9.736 1.00 0.00 O ATOM 429 CG2 THR A 32 6.458 13.020 8.575 1.00 0.00 C ATOM 0 H THR A 32 3.369 11.121 8.226 1.00 0.00 H new ATOM 0 HA THR A 32 5.695 11.353 6.463 1.00 0.00 H new ATOM 0 HB THR A 32 7.284 11.050 8.294 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.273 11.402 10.481 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.182 13.280 9.347 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.801 13.399 7.612 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.494 13.466 8.817 1.00 0.00 H new ATOM 437 N LYS A 33 4.056 9.130 6.707 1.00 0.00 N ATOM 438 CA LYS A 33 3.760 7.716 6.558 1.00 0.00 C ATOM 439 C LYS A 33 3.023 7.490 5.236 1.00 0.00 C ATOM 440 O LYS A 33 2.674 8.445 4.545 1.00 0.00 O ATOM 441 CB LYS A 33 3.003 7.195 7.781 1.00 0.00 C ATOM 442 CG LYS A 33 1.507 7.496 7.669 1.00 0.00 C ATOM 443 CD LYS A 33 0.776 7.135 8.964 1.00 0.00 C ATOM 444 CE LYS A 33 -0.064 8.310 9.466 1.00 0.00 C ATOM 445 NZ LYS A 33 -0.103 8.326 10.945 1.00 0.00 N ATOM 0 H LYS A 33 3.379 9.756 6.271 1.00 0.00 H new ATOM 0 HA LYS A 33 4.682 7.137 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.155 6.120 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.404 7.655 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.361 8.553 7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.081 6.934 6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.134 6.271 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.500 6.849 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.354 9.247 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.077 8.235 9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.678 9.130 11.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.523 7.439 11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.864 8.420 11.317 1.00 0.00 H new ATOM 459 N VAL A 34 2.807 6.220 4.926 1.00 0.00 N ATOM 460 CA VAL A 34 2.118 5.856 3.699 1.00 0.00 C ATOM 461 C VAL A 34 0.905 4.988 4.040 1.00 0.00 C ATOM 462 O VAL A 34 1.053 3.817 4.389 1.00 0.00 O ATOM 463 CB VAL A 34 3.090 5.173 2.735 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.336 4.435 1.628 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.078 6.183 2.147 1.00 0.00 C ATOM 0 H VAL A 34 3.097 5.430 5.503 1.00 0.00 H new ATOM 0 HA VAL A 34 1.749 6.746 3.190 1.00 0.00 H new ATOM 0 HB VAL A 34 3.661 4.436 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.050 3.958 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.692 3.675 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.728 5.144 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.758 5.672 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.531 6.954 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.650 6.644 2.952 1.00 0.00 H new ATOM 475 N LEU A 35 -0.268 5.594 3.926 1.00 0.00 N ATOM 476 CA LEU A 35 -1.505 4.891 4.217 1.00 0.00 C ATOM 477 C LEU A 35 -1.920 4.069 2.995 1.00 0.00 C ATOM 478 O LEU A 35 -2.344 4.625 1.983 1.00 0.00 O ATOM 479 CB LEU A 35 -2.580 5.871 4.692 1.00 0.00 C ATOM 480 CG LEU A 35 -2.163 6.836 5.803 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.332 7.731 6.219 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.570 6.079 6.993 1.00 0.00 C ATOM 0 H LEU A 35 -0.387 6.565 3.636 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.359 4.190 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.914 6.457 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.439 5.297 5.040 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.381 7.488 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.009 8.408 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.669 8.312 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.152 7.112 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.282 6.789 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.313 5.388 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.692 5.520 6.668 1.00 0.00 H new ATOM 494 N LEU A 36 -1.782 2.758 3.129 1.00 0.00 N ATOM 495 CA LEU A 36 -2.137 1.854 2.048 1.00 0.00 C ATOM 496 C LEU A 36 -3.550 1.317 2.281 1.00 0.00 C ATOM 497 O LEU A 36 -3.981 1.169 3.423 1.00 0.00 O ATOM 498 CB LEU A 36 -1.080 0.758 1.898 1.00 0.00 C ATOM 499 CG LEU A 36 0.344 1.235 1.603 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.300 0.050 1.456 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.373 2.149 0.376 1.00 0.00 C ATOM 0 H LEU A 36 -1.429 2.300 3.970 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.150 2.385 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.062 0.170 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.391 0.088 1.096 1.00 0.00 H new ATOM 0 HG LEU A 36 0.689 1.824 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.305 0.417 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.310 -0.527 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.968 -0.586 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.396 2.474 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.000 1.605 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.257 3.020 0.556 1.00 0.00 H new ATOM 513 N ASN A 37 -4.233 1.040 1.180 1.00 0.00 N ATOM 514 CA ASN A 37 -5.589 0.523 1.249 1.00 0.00 C ATOM 515 C ASN A 37 -5.877 -0.310 -0.001 1.00 0.00 C ATOM 516 O ASN A 37 -5.481 0.062 -1.104 1.00 0.00 O ATOM 517 CB ASN A 37 -6.610 1.661 1.306 1.00 0.00 C ATOM 518 CG ASN A 37 -6.013 2.900 1.975 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.017 3.454 1.540 1.00 0.00 O ATOM 520 ND2 ASN A 37 -6.676 3.304 3.055 1.00 0.00 N ATOM 0 H ASN A 37 -3.872 1.164 0.234 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.674 -0.082 2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.938 1.911 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.492 1.335 1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.357 4.123 3.572 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.503 2.795 3.366 1.00 0.00 H new ATOM 527 N TRP A 38 -6.566 -1.422 0.213 1.00 0.00 N ATOM 528 CA TRP A 38 -6.912 -2.310 -0.883 1.00 0.00 C ATOM 529 C TRP A 38 -8.147 -3.113 -0.468 1.00 0.00 C ATOM 530 O TRP A 38 -8.377 -3.336 0.719 1.00 0.00 O ATOM 531 CB TRP A 38 -5.725 -3.195 -1.267 1.00 0.00 C ATOM 532 CG TRP A 38 -5.195 -4.058 -0.120 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.606 -5.277 0.254 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.131 -3.714 0.793 1.00 0.00 C ATOM 535 NE1 TRP A 38 -4.888 -5.742 1.337 1.00 0.00 N ATOM 536 CE2 TRP A 38 -3.963 -4.762 1.675 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.337 -2.556 0.870 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.007 -4.757 2.698 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.386 -2.567 1.898 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.205 -3.614 2.795 1.00 0.00 C ATOM 0 H TRP A 38 -6.894 -1.728 1.129 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.152 -1.740 -1.781 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.021 -3.845 -2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.917 -2.562 -1.635 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.399 -5.827 -0.231 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.013 -6.640 1.804 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.451 -1.724 0.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.894 -5.590 3.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.748 -1.701 2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.449 -3.546 3.563 1.00 0.00 H new ATOM 551 N GLU A 39 -8.910 -3.525 -1.471 1.00 0.00 N ATOM 552 CA GLU A 39 -10.115 -4.299 -1.225 1.00 0.00 C ATOM 553 C GLU A 39 -9.767 -5.621 -0.538 1.00 0.00 C ATOM 554 O GLU A 39 -8.598 -5.897 -0.271 1.00 0.00 O ATOM 555 CB GLU A 39 -10.885 -4.542 -2.525 1.00 0.00 C ATOM 556 CG GLU A 39 -12.232 -3.817 -2.508 1.00 0.00 C ATOM 557 CD GLU A 39 -13.371 -4.784 -2.180 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.537 -5.749 -2.957 1.00 0.00 O ATOM 559 OE2 GLU A 39 -14.050 -4.537 -1.160 1.00 0.00 O ATOM 0 H GLU A 39 -8.717 -3.337 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.761 -3.727 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.293 -4.197 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.045 -5.611 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.208 -3.015 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.412 -3.353 -3.478 1.00 0.00 H new ATOM 566 N GLN A 40 -10.802 -6.403 -0.272 1.00 0.00 N ATOM 567 CA GLN A 40 -10.620 -7.690 0.378 1.00 0.00 C ATOM 568 C GLN A 40 -10.756 -8.823 -0.640 1.00 0.00 C ATOM 569 O GLN A 40 -11.323 -8.632 -1.715 1.00 0.00 O ATOM 570 CB GLN A 40 -11.611 -7.866 1.531 1.00 0.00 C ATOM 571 CG GLN A 40 -13.049 -7.652 1.055 1.00 0.00 C ATOM 572 CD GLN A 40 -14.052 -8.176 2.086 1.00 0.00 C ATOM 573 OE1 GLN A 40 -13.825 -9.165 2.763 1.00 0.00 O ATOM 574 NE2 GLN A 40 -15.169 -7.459 2.167 1.00 0.00 N ATOM 0 H GLN A 40 -11.770 -6.171 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.615 -7.725 0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.509 -8.866 1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.378 -7.158 2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.224 -6.590 0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.200 -8.162 0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.295 -6.641 1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.900 -7.727 2.826 1.00 0.00 H new ATOM 583 N VAL A 41 -10.227 -9.979 -0.266 1.00 0.00 N ATOM 584 CA VAL A 41 -10.282 -11.143 -1.134 1.00 0.00 C ATOM 585 C VAL A 41 -10.985 -12.287 -0.401 1.00 0.00 C ATOM 586 O VAL A 41 -10.557 -12.694 0.679 1.00 0.00 O ATOM 587 CB VAL A 41 -8.873 -11.512 -1.605 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.833 -12.942 -2.145 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.367 -10.516 -2.650 1.00 0.00 C ATOM 0 H VAL A 41 -9.758 -10.134 0.626 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.863 -10.924 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.207 -11.461 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.821 -13.179 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.132 -13.636 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.518 -13.032 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.364 -10.801 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.036 -10.520 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.340 -9.516 -2.217 1.00 0.00 H new ATOM 599 N LYS A 42 -12.053 -12.774 -1.016 1.00 0.00 N ATOM 600 CA LYS A 42 -12.820 -13.863 -0.436 1.00 0.00 C ATOM 601 C LYS A 42 -12.712 -15.094 -1.337 1.00 0.00 C ATOM 602 O LYS A 42 -13.099 -15.049 -2.504 1.00 0.00 O ATOM 603 CB LYS A 42 -14.260 -13.421 -0.168 1.00 0.00 C ATOM 604 CG LYS A 42 -14.395 -12.811 1.229 1.00 0.00 C ATOM 605 CD LYS A 42 -15.858 -12.496 1.551 1.00 0.00 C ATOM 606 CE LYS A 42 -16.275 -13.129 2.880 1.00 0.00 C ATOM 607 NZ LYS A 42 -17.748 -13.106 3.025 1.00 0.00 N ATOM 0 H LYS A 42 -12.405 -12.434 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.411 -14.142 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.566 -12.692 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.930 -14.276 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.996 -13.502 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.801 -11.899 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.999 -11.416 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.498 -12.867 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.915 -14.157 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.814 -12.590 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.014 -13.539 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.084 -12.122 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.182 -13.640 2.245 1.00 0.00 H new ATOM 621 N ALA A 43 -12.185 -16.165 -0.762 1.00 0.00 N ATOM 622 CA ALA A 43 -12.022 -17.406 -1.500 1.00 0.00 C ATOM 623 C ALA A 43 -13.378 -18.106 -1.619 1.00 0.00 C ATOM 624 O ALA A 43 -14.215 -18.001 -0.724 1.00 0.00 O ATOM 625 CB ALA A 43 -10.975 -18.279 -0.805 1.00 0.00 C ATOM 0 H ALA A 43 -11.865 -16.199 0.206 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.664 -17.208 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.852 -19.210 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.023 -17.749 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.303 -18.501 0.211 1.00 0.00 H new ATOM 677 N GLU A 47 -11.960 -23.224 -1.243 1.00 0.00 N ATOM 678 CA GLU A 47 -10.815 -22.329 -1.236 1.00 0.00 C ATOM 679 C GLU A 47 -10.569 -21.793 0.175 1.00 0.00 C ATOM 680 O GLU A 47 -11.487 -21.742 0.992 1.00 0.00 O ATOM 681 CB GLU A 47 -11.007 -21.184 -2.232 1.00 0.00 C ATOM 682 CG GLU A 47 -10.837 -21.675 -3.672 1.00 0.00 C ATOM 683 CD GLU A 47 -12.056 -22.480 -4.125 1.00 0.00 C ATOM 684 OE1 GLU A 47 -13.006 -21.839 -4.624 1.00 0.00 O ATOM 685 OE2 GLU A 47 -12.011 -23.719 -3.961 1.00 0.00 O ATOM 0 HA GLU A 47 -9.936 -22.893 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.999 -20.751 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.286 -20.393 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.693 -20.823 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.941 -22.292 -3.746 1.00 0.00 H new ATOM 692 N SER A 48 -9.326 -21.406 0.419 1.00 0.00 N ATOM 693 CA SER A 48 -8.948 -20.875 1.718 1.00 0.00 C ATOM 694 C SER A 48 -9.212 -19.369 1.764 1.00 0.00 C ATOM 695 O SER A 48 -8.825 -18.639 0.853 1.00 0.00 O ATOM 696 CB SER A 48 -7.477 -21.166 2.025 1.00 0.00 C ATOM 697 OG SER A 48 -7.309 -22.406 2.706 1.00 0.00 O ATOM 0 H SER A 48 -8.567 -21.449 -0.261 1.00 0.00 H new ATOM 0 HA SER A 48 -9.554 -21.367 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.909 -21.183 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.067 -20.360 2.634 1.00 0.00 H new ATOM 0 HG SER A 48 -6.357 -22.556 2.882 1.00 0.00 H new ATOM 703 N GLU A 49 -9.870 -18.949 2.835 1.00 0.00 N ATOM 704 CA GLU A 49 -10.190 -17.543 3.012 1.00 0.00 C ATOM 705 C GLU A 49 -8.922 -16.744 3.321 1.00 0.00 C ATOM 706 O GLU A 49 -7.902 -17.316 3.701 1.00 0.00 O ATOM 707 CB GLU A 49 -11.239 -17.354 4.111 1.00 0.00 C ATOM 708 CG GLU A 49 -10.595 -17.407 5.498 1.00 0.00 C ATOM 709 CD GLU A 49 -11.557 -18.008 6.525 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.756 -17.666 6.448 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.070 -18.796 7.365 1.00 0.00 O ATOM 0 H GLU A 49 -10.190 -19.558 3.588 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.614 -17.167 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.743 -16.397 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.000 -18.130 4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.683 -18.002 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.307 -16.403 5.808 1.00 0.00 H new ATOM 718 N VAL A 50 -9.029 -15.435 3.147 1.00 0.00 N ATOM 719 CA VAL A 50 -7.903 -14.553 3.403 1.00 0.00 C ATOM 720 C VAL A 50 -7.947 -14.086 4.859 1.00 0.00 C ATOM 721 O VAL A 50 -8.896 -13.424 5.275 1.00 0.00 O ATOM 722 CB VAL A 50 -7.910 -13.394 2.404 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.872 -12.336 2.785 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.681 -13.898 0.978 1.00 0.00 C ATOM 0 H VAL A 50 -9.877 -14.964 2.832 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.962 -15.084 3.260 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.894 -12.926 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.897 -11.523 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.099 -11.944 3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.879 -12.786 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.691 -13.054 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.716 -14.402 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.473 -14.597 0.708 1.00 0.00 H new ATOM 734 N THR A 51 -6.907 -14.451 5.595 1.00 0.00 N ATOM 735 CA THR A 51 -6.815 -14.079 6.997 1.00 0.00 C ATOM 736 C THR A 51 -5.860 -12.896 7.172 1.00 0.00 C ATOM 737 O THR A 51 -5.745 -12.344 8.265 1.00 0.00 O ATOM 738 CB THR A 51 -6.398 -15.319 7.789 1.00 0.00 C ATOM 739 OG1 THR A 51 -5.082 -15.603 7.323 1.00 0.00 O ATOM 740 CG2 THR A 51 -7.206 -16.560 7.403 1.00 0.00 C ATOM 0 H THR A 51 -6.121 -15.000 5.247 1.00 0.00 H new ATOM 0 HA THR A 51 -7.777 -13.740 7.381 1.00 0.00 H new ATOM 0 HB THR A 51 -6.518 -15.125 8.855 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.734 -16.393 7.787 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.870 -17.412 7.995 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.264 -16.380 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.061 -16.774 6.344 1.00 0.00 H new ATOM 748 N GLY A 52 -5.199 -12.543 6.080 1.00 0.00 N ATOM 749 CA GLY A 52 -4.258 -11.436 6.099 1.00 0.00 C ATOM 750 C GLY A 52 -3.644 -11.214 4.715 1.00 0.00 C ATOM 751 O GLY A 52 -3.995 -11.903 3.759 1.00 0.00 O ATOM 0 H GLY A 52 -5.296 -13.004 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.766 -10.528 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.468 -11.638 6.823 1.00 0.00 H new ATOM 755 N TYR A 53 -2.738 -10.250 4.653 1.00 0.00 N ATOM 756 CA TYR A 53 -2.072 -9.928 3.402 1.00 0.00 C ATOM 757 C TYR A 53 -0.608 -9.551 3.642 1.00 0.00 C ATOM 758 O TYR A 53 -0.227 -9.204 4.759 1.00 0.00 O ATOM 759 CB TYR A 53 -2.811 -8.716 2.830 1.00 0.00 C ATOM 760 CG TYR A 53 -4.201 -9.039 2.278 1.00 0.00 C ATOM 761 CD1 TYR A 53 -5.290 -9.065 3.124 1.00 0.00 C ATOM 762 CD2 TYR A 53 -4.364 -9.304 0.934 1.00 0.00 C ATOM 763 CE1 TYR A 53 -6.599 -9.369 2.605 1.00 0.00 C ATOM 764 CE2 TYR A 53 -5.672 -9.608 0.414 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.725 -9.625 1.275 1.00 0.00 C ATOM 766 OH TYR A 53 -7.961 -9.912 0.784 1.00 0.00 O ATOM 0 H TYR A 53 -2.449 -9.681 5.449 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.088 -10.784 2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.907 -7.961 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.208 -8.278 2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.161 -8.857 4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.511 -9.283 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.460 -9.393 3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.814 -9.818 -0.636 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.072 -9.487 -0.092 1.00 0.00 H new ATOM 776 N LYS A 54 0.173 -9.633 2.574 1.00 0.00 N ATOM 777 CA LYS A 54 1.586 -9.305 2.654 1.00 0.00 C ATOM 778 C LYS A 54 1.868 -8.070 1.796 1.00 0.00 C ATOM 779 O LYS A 54 1.692 -8.102 0.579 1.00 0.00 O ATOM 780 CB LYS A 54 2.439 -10.519 2.283 1.00 0.00 C ATOM 781 CG LYS A 54 2.026 -11.749 3.095 1.00 0.00 C ATOM 782 CD LYS A 54 3.042 -12.881 2.932 1.00 0.00 C ATOM 783 CE LYS A 54 3.382 -13.512 4.283 1.00 0.00 C ATOM 784 NZ LYS A 54 4.827 -13.819 4.363 1.00 0.00 N ATOM 0 H LYS A 54 -0.146 -9.922 1.649 1.00 0.00 H new ATOM 0 HA LYS A 54 1.861 -9.052 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.334 -10.730 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.491 -10.297 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.940 -11.482 4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.042 -12.089 2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.640 -13.641 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.950 -12.495 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.103 -12.833 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.802 -14.425 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.956 -14.812 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.267 -13.663 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.275 -13.199 5.067 1.00 0.00 H new ATOM 798 N VAL A 55 2.301 -7.011 2.464 1.00 0.00 N ATOM 799 CA VAL A 55 2.608 -5.768 1.778 1.00 0.00 C ATOM 800 C VAL A 55 4.075 -5.780 1.342 1.00 0.00 C ATOM 801 O VAL A 55 4.969 -5.539 2.152 1.00 0.00 O ATOM 802 CB VAL A 55 2.261 -4.576 2.673 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.408 -3.257 1.911 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.853 -4.719 3.254 1.00 0.00 C ATOM 0 H VAL A 55 2.446 -6.988 3.473 1.00 0.00 H new ATOM 0 HA VAL A 55 2.001 -5.669 0.878 1.00 0.00 H new ATOM 0 HB VAL A 55 2.967 -4.564 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.156 -2.426 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.437 -3.148 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.737 -3.256 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.631 -3.859 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.128 -4.769 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.796 -5.631 3.849 1.00 0.00 H new ATOM 814 N PHE A 56 4.277 -6.064 0.064 1.00 0.00 N ATOM 815 CA PHE A 56 5.620 -6.111 -0.489 1.00 0.00 C ATOM 816 C PHE A 56 6.051 -4.735 -1.001 1.00 0.00 C ATOM 817 O PHE A 56 5.659 -4.324 -2.092 1.00 0.00 O ATOM 818 CB PHE A 56 5.586 -7.091 -1.663 1.00 0.00 C ATOM 819 CG PHE A 56 5.581 -8.563 -1.246 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.403 -9.195 -0.995 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.755 -9.239 -1.125 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.399 -10.561 -0.607 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.751 -10.605 -0.737 1.00 0.00 C ATOM 824 CZ PHE A 56 5.573 -11.238 -0.487 1.00 0.00 C ATOM 0 H PHE A 56 3.533 -6.264 -0.605 1.00 0.00 H new ATOM 0 HA PHE A 56 6.328 -6.421 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.699 -6.891 -2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.451 -6.908 -2.301 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.471 -8.658 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.690 -8.737 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.464 -11.063 -0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.683 -11.142 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.570 -12.277 -0.193 1.00 0.00 H new ATOM 834 N TYR A 57 6.851 -4.061 -0.189 1.00 0.00 N ATOM 835 CA TYR A 57 7.340 -2.740 -0.545 1.00 0.00 C ATOM 836 C TYR A 57 8.838 -2.773 -0.851 1.00 0.00 C ATOM 837 O TYR A 57 9.609 -3.402 -0.127 1.00 0.00 O ATOM 838 CB TYR A 57 7.101 -1.857 0.681 1.00 0.00 C ATOM 839 CG TYR A 57 7.627 -2.451 1.988 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.825 -3.287 2.739 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.905 -2.152 2.417 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.321 -3.846 3.969 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.400 -2.712 3.648 1.00 0.00 C ATOM 844 CZ TYR A 57 8.584 -3.531 4.363 1.00 0.00 C ATOM 845 OH TYR A 57 9.052 -4.060 5.526 1.00 0.00 O ATOM 0 H TYR A 57 7.173 -4.405 0.715 1.00 0.00 H new ATOM 0 HA TYR A 57 6.829 -2.369 -1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.575 -0.889 0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.031 -1.675 0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.826 -3.521 2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.533 -1.499 1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.704 -4.501 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.397 -2.486 3.995 1.00 0.00 H new ATOM 0 HH TYR A 57 10.010 -4.248 5.438 1.00 0.00 H new ATOM 855 N ARG A 58 9.207 -2.089 -1.924 1.00 0.00 N ATOM 856 CA ARG A 58 10.599 -2.033 -2.334 1.00 0.00 C ATOM 857 C ARG A 58 10.860 -0.769 -3.156 1.00 0.00 C ATOM 858 O ARG A 58 9.968 -0.278 -3.847 1.00 0.00 O ATOM 859 CB ARG A 58 10.979 -3.260 -3.165 1.00 0.00 C ATOM 860 CG ARG A 58 9.844 -3.654 -4.113 1.00 0.00 C ATOM 861 CD ARG A 58 10.389 -4.349 -5.362 1.00 0.00 C ATOM 862 NE ARG A 58 10.896 -3.342 -6.321 1.00 0.00 N ATOM 863 CZ ARG A 58 11.315 -3.629 -7.560 1.00 0.00 C ATOM 864 NH1 ARG A 58 11.290 -4.895 -8.000 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.760 -2.651 -8.361 1.00 0.00 N ATOM 0 H ARG A 58 8.565 -1.569 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 58 11.209 -2.017 -1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.881 -3.049 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.211 -4.094 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.149 -4.317 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.282 -2.766 -4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.189 -5.036 -5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.604 -4.945 -5.828 1.00 0.00 H new ATOM 0 HE ARG A 58 10.928 -2.368 -6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.952 -5.640 -7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.609 -5.113 -8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.780 -1.687 -8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.079 -2.870 -9.305 1.00 0.00 H new ATOM 879 N THR A 59 12.086 -0.278 -3.054 1.00 0.00 N ATOM 880 CA THR A 59 12.475 0.920 -3.779 1.00 0.00 C ATOM 881 C THR A 59 12.390 0.681 -5.288 1.00 0.00 C ATOM 882 O THR A 59 12.191 -0.449 -5.731 1.00 0.00 O ATOM 883 CB THR A 59 13.873 1.326 -3.306 1.00 0.00 C ATOM 884 OG1 THR A 59 13.723 1.512 -1.901 1.00 0.00 O ATOM 885 CG2 THR A 59 14.288 2.705 -3.823 1.00 0.00 C ATOM 0 H THR A 59 12.823 -0.688 -2.480 1.00 0.00 H new ATOM 0 HA THR A 59 11.794 1.746 -3.573 1.00 0.00 H new ATOM 0 HB THR A 59 14.598 0.582 -3.635 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.583 1.776 -1.512 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.287 2.945 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.291 2.699 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.582 3.455 -3.466 1.00 0.00 H new ATOM 893 N SER A 60 12.544 1.764 -6.036 1.00 0.00 N ATOM 894 CA SER A 60 12.487 1.686 -7.486 1.00 0.00 C ATOM 895 C SER A 60 13.288 0.479 -7.977 1.00 0.00 C ATOM 896 O SER A 60 12.998 -0.073 -9.037 1.00 0.00 O ATOM 897 CB SER A 60 13.016 2.971 -8.127 1.00 0.00 C ATOM 898 OG SER A 60 14.427 2.927 -8.325 1.00 0.00 O ATOM 0 H SER A 60 12.708 2.700 -5.665 1.00 0.00 H new ATOM 0 HA SER A 60 11.445 1.566 -7.782 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.520 3.129 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.765 3.822 -7.494 1.00 0.00 H new ATOM 0 HG SER A 60 14.726 3.764 -8.738 1.00 0.00 H new ATOM 960 N VAL A 65 12.756 -7.377 -1.904 1.00 0.00 N ATOM 961 CA VAL A 65 11.616 -6.677 -1.338 1.00 0.00 C ATOM 962 C VAL A 65 11.293 -7.265 0.037 1.00 0.00 C ATOM 963 O VAL A 65 11.544 -8.443 0.287 1.00 0.00 O ATOM 964 CB VAL A 65 10.433 -6.736 -2.306 1.00 0.00 C ATOM 965 CG1 VAL A 65 10.013 -8.183 -2.571 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.255 -5.910 -1.784 1.00 0.00 C ATOM 0 HA VAL A 65 11.849 -5.622 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 65 10.753 -6.301 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.170 -8.196 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.849 -8.730 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.720 -8.655 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.428 -5.969 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.936 -6.302 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.562 -4.870 -1.670 1.00 0.00 H new ATOM 976 N GLN A 66 10.742 -6.417 0.893 1.00 0.00 N ATOM 977 CA GLN A 66 10.382 -6.837 2.237 1.00 0.00 C ATOM 978 C GLN A 66 8.889 -7.165 2.308 1.00 0.00 C ATOM 979 O GLN A 66 8.120 -6.768 1.434 1.00 0.00 O ATOM 980 CB GLN A 66 10.759 -5.769 3.265 1.00 0.00 C ATOM 981 CG GLN A 66 12.244 -5.851 3.621 1.00 0.00 C ATOM 982 CD GLN A 66 12.448 -5.814 5.137 1.00 0.00 C ATOM 983 OE1 GLN A 66 11.661 -5.252 5.881 1.00 0.00 O ATOM 984 NE2 GLN A 66 13.544 -6.442 5.552 1.00 0.00 N ATOM 0 H GLN A 66 10.536 -5.441 0.682 1.00 0.00 H new ATOM 0 HA GLN A 66 10.944 -7.739 2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.531 -4.780 2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.158 -5.897 4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.668 -6.770 3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.779 -5.022 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.161 -6.892 4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.768 -6.473 6.547 1.00 0.00 H new ATOM 993 N VAL A 67 8.524 -7.887 3.358 1.00 0.00 N ATOM 994 CA VAL A 67 7.137 -8.272 3.555 1.00 0.00 C ATOM 995 C VAL A 67 6.647 -7.729 4.899 1.00 0.00 C ATOM 996 O VAL A 67 7.354 -7.814 5.902 1.00 0.00 O ATOM 997 CB VAL A 67 6.994 -9.791 3.437 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.703 -10.274 4.100 1.00 0.00 C ATOM 999 CG2 VAL A 67 7.059 -10.235 1.974 1.00 0.00 C ATOM 0 H VAL A 67 9.165 -8.215 4.081 1.00 0.00 H new ATOM 0 HA VAL A 67 6.507 -7.838 2.779 1.00 0.00 H new ATOM 0 HB VAL A 67 7.831 -10.248 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.626 -11.357 4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.714 -10.006 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.847 -9.804 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.955 -11.319 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.251 -9.763 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.017 -9.940 1.546 1.00 0.00 H new ATOM 1009 N LEU A 68 5.441 -7.182 4.875 1.00 0.00 N ATOM 1010 CA LEU A 68 4.848 -6.624 6.079 1.00 0.00 C ATOM 1011 C LEU A 68 3.544 -7.363 6.390 1.00 0.00 C ATOM 1012 O LEU A 68 2.707 -7.549 5.508 1.00 0.00 O ATOM 1013 CB LEU A 68 4.679 -5.110 5.941 1.00 0.00 C ATOM 1014 CG LEU A 68 3.474 -4.501 6.661 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.788 -3.089 7.159 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.230 -4.532 5.770 1.00 0.00 C ATOM 0 H LEU A 68 4.858 -7.113 4.041 1.00 0.00 H new ATOM 0 HA LEU A 68 5.510 -6.771 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.582 -4.628 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.604 -4.868 4.881 1.00 0.00 H new ATOM 0 HG LEU A 68 3.257 -5.110 7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.915 -2.680 7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.627 -3.126 7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.046 -2.453 6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.388 -4.093 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.419 -3.961 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.996 -5.564 5.508 1.00 0.00 H new ATOM 1028 N ASN A 69 3.413 -7.763 7.646 1.00 0.00 N ATOM 1029 CA ASN A 69 2.226 -8.477 8.084 1.00 0.00 C ATOM 1030 C ASN A 69 1.115 -7.471 8.389 1.00 0.00 C ATOM 1031 O ASN A 69 1.346 -6.474 9.073 1.00 0.00 O ATOM 1032 CB ASN A 69 2.503 -9.277 9.358 1.00 0.00 C ATOM 1033 CG ASN A 69 2.943 -10.704 9.025 1.00 0.00 C ATOM 1034 OD1 ASN A 69 2.161 -11.640 9.031 1.00 0.00 O ATOM 1035 ND2 ASN A 69 4.236 -10.817 8.734 1.00 0.00 N ATOM 0 H ASN A 69 4.109 -7.606 8.375 1.00 0.00 H new ATOM 0 HA ASN A 69 1.930 -9.160 7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.278 -8.781 9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.606 -9.304 9.977 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.628 -11.729 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.836 -9.992 8.747 1.00 0.00 H new ATOM 1042 N THR A 70 -0.067 -7.766 7.869 1.00 0.00 N ATOM 1043 CA THR A 70 -1.215 -6.900 8.077 1.00 0.00 C ATOM 1044 C THR A 70 -2.499 -7.727 8.167 1.00 0.00 C ATOM 1045 O THR A 70 -2.895 -8.371 7.196 1.00 0.00 O ATOM 1046 CB THR A 70 -1.236 -5.864 6.951 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.598 -5.449 6.887 1.00 0.00 O ATOM 1048 CG2 THR A 70 -0.971 -6.486 5.579 1.00 0.00 C ATOM 0 H THR A 70 -0.255 -8.594 7.303 1.00 0.00 H new ATOM 0 HA THR A 70 -1.142 -6.368 9.026 1.00 0.00 H new ATOM 0 HB THR A 70 -0.490 -5.095 7.151 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.645 -4.532 6.544 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.997 -5.708 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.009 -6.962 5.579 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.736 -7.231 5.363 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.113 -7.683 9.340 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.343 -8.421 9.568 1.00 0.00 C ATOM 1058 C ASN A 71 -5.538 -7.532 9.218 1.00 0.00 C ATOM 1059 O ASN A 71 -6.529 -7.501 9.947 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.475 -8.832 11.036 1.00 0.00 C ATOM 1061 CG ASN A 71 -5.464 -9.989 11.195 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -6.177 -10.360 10.278 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -5.466 -10.535 12.408 1.00 0.00 N ATOM 0 H ASN A 71 -2.782 -7.148 10.143 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.321 -9.314 8.944 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.500 -9.127 11.424 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.809 -7.979 11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.091 -11.314 12.616 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.842 -10.175 13.130 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.406 -6.831 8.102 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.462 -5.943 7.646 1.00 0.00 C ATOM 1072 C LYS A 72 -6.305 -5.700 6.143 1.00 0.00 C ATOM 1073 O LYS A 72 -5.411 -6.261 5.510 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.480 -4.660 8.478 1.00 0.00 C ATOM 1075 CG LYS A 72 -5.080 -4.051 8.578 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.794 -3.567 10.001 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.681 -2.516 10.009 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.601 -1.856 11.331 1.00 0.00 N ATOM 0 H LYS A 72 -4.583 -6.860 7.500 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.438 -6.405 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.162 -3.940 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.859 -4.876 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.336 -4.791 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.991 -3.217 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.701 -3.145 10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.505 -4.412 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.727 -2.987 9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.870 -1.772 9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.841 -1.146 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.507 -1.390 11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.399 -2.567 12.062 1.00 0.00 H new ATOM 1092 N THR A 73 -7.186 -4.863 5.616 1.00 0.00 N ATOM 1093 CA THR A 73 -7.157 -4.539 4.200 1.00 0.00 C ATOM 1094 C THR A 73 -6.350 -3.260 3.963 1.00 0.00 C ATOM 1095 O THR A 73 -6.295 -2.756 2.842 1.00 0.00 O ATOM 1096 CB THR A 73 -8.601 -4.447 3.706 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.320 -3.940 4.827 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.224 -5.822 3.455 1.00 0.00 C ATOM 0 H THR A 73 -7.925 -4.399 6.144 1.00 0.00 H new ATOM 0 HA THR A 73 -6.652 -5.316 3.626 1.00 0.00 H new ATOM 0 HB THR A 73 -8.633 -3.861 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.267 -3.847 4.593 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.249 -5.699 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.644 -6.352 2.699 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.223 -6.397 4.381 1.00 0.00 H new ATOM 1106 N SER A 74 -5.745 -2.773 5.036 1.00 0.00 N ATOM 1107 CA SER A 74 -4.944 -1.563 4.959 1.00 0.00 C ATOM 1108 C SER A 74 -3.545 -1.824 5.519 1.00 0.00 C ATOM 1109 O SER A 74 -3.252 -2.928 5.977 1.00 0.00 O ATOM 1110 CB SER A 74 -5.612 -0.411 5.713 1.00 0.00 C ATOM 1111 OG SER A 74 -5.966 -0.779 7.044 1.00 0.00 O ATOM 0 H SER A 74 -5.793 -3.194 5.964 1.00 0.00 H new ATOM 0 HA SER A 74 -4.860 -1.275 3.911 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.937 0.444 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.505 -0.095 5.174 1.00 0.00 H new ATOM 0 HG SER A 74 -6.388 -0.017 7.493 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.718 -0.791 5.465 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.356 -0.895 5.962 1.00 0.00 C ATOM 1119 C ALA A 75 -0.752 0.505 6.078 1.00 0.00 C ATOM 1120 O ALA A 75 -1.338 1.479 5.608 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.545 -1.807 5.039 1.00 0.00 C ATOM 0 H ALA A 75 -2.964 0.123 5.085 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.342 -1.342 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.477 -1.886 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.000 -2.797 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.533 -1.389 4.033 1.00 0.00 H new ATOM 1127 N GLU A 76 0.414 0.562 6.705 1.00 0.00 N ATOM 1128 CA GLU A 76 1.104 1.827 6.889 1.00 0.00 C ATOM 1129 C GLU A 76 2.617 1.627 6.773 1.00 0.00 C ATOM 1130 O GLU A 76 3.216 0.918 7.580 1.00 0.00 O ATOM 1131 CB GLU A 76 0.736 2.463 8.230 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.708 2.970 8.219 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.256 3.096 9.642 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.560 3.731 10.464 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -2.358 2.554 9.876 1.00 0.00 O ATOM 0 H GLU A 76 0.898 -0.248 7.092 1.00 0.00 H new ATOM 0 HA GLU A 76 0.786 2.510 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.863 1.733 9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.414 3.290 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.753 3.939 7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.333 2.286 7.644 1.00 0.00 H new ATOM 1142 N LEU A 77 3.191 2.266 5.764 1.00 0.00 N ATOM 1143 CA LEU A 77 4.622 2.168 5.533 1.00 0.00 C ATOM 1144 C LEU A 77 5.275 3.521 5.821 1.00 0.00 C ATOM 1145 O LEU A 77 4.599 4.468 6.223 1.00 0.00 O ATOM 1146 CB LEU A 77 4.902 1.637 4.126 1.00 0.00 C ATOM 1147 CG LEU A 77 4.478 0.192 3.858 1.00 0.00 C ATOM 1148 CD1 LEU A 77 4.213 -0.035 2.368 1.00 0.00 C ATOM 1149 CD2 LEU A 77 5.508 -0.794 4.412 1.00 0.00 C ATOM 0 H LEU A 77 2.691 2.854 5.097 1.00 0.00 H new ATOM 0 HA LEU A 77 5.070 1.446 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.396 2.282 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.971 1.723 3.933 1.00 0.00 H new ATOM 0 HG LEU A 77 3.541 0.009 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.913 -1.070 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.416 0.630 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.120 0.173 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.182 -1.814 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.472 -0.619 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.605 -0.653 5.488 1.00 0.00 H new ATOM 1161 N VAL A 78 6.581 3.570 5.604 1.00 0.00 N ATOM 1162 CA VAL A 78 7.333 4.792 5.835 1.00 0.00 C ATOM 1163 C VAL A 78 7.500 5.541 4.512 1.00 0.00 C ATOM 1164 O VAL A 78 7.452 4.936 3.442 1.00 0.00 O ATOM 1165 CB VAL A 78 8.666 4.466 6.511 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.444 3.779 7.859 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.549 3.612 5.598 1.00 0.00 C ATOM 0 H VAL A 78 7.138 2.783 5.271 1.00 0.00 H new ATOM 0 HA VAL A 78 6.792 5.451 6.515 1.00 0.00 H new ATOM 0 HB VAL A 78 9.186 5.406 6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.408 3.558 8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.873 4.438 8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.893 2.851 7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.491 3.394 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.037 2.678 5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.749 4.155 4.674 1.00 0.00 H new ATOM 1177 N LEU A 79 7.694 6.847 4.627 1.00 0.00 N ATOM 1178 CA LEU A 79 7.868 7.684 3.453 1.00 0.00 C ATOM 1179 C LEU A 79 9.006 7.124 2.597 1.00 0.00 C ATOM 1180 O LEU A 79 9.975 6.580 3.125 1.00 0.00 O ATOM 1181 CB LEU A 79 8.068 9.145 3.862 1.00 0.00 C ATOM 1182 CG LEU A 79 9.064 9.394 4.996 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.407 8.722 4.704 1.00 0.00 C ATOM 1184 CD2 LEU A 79 9.220 10.891 5.270 1.00 0.00 C ATOM 0 H LEU A 79 7.734 7.346 5.516 1.00 0.00 H new ATOM 0 HA LEU A 79 6.968 7.669 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.397 9.705 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.102 9.554 4.157 1.00 0.00 H new ATOM 0 HG LEU A 79 8.668 8.940 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.097 8.915 5.526 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.261 7.647 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.822 9.125 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.933 11.040 6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.583 11.390 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.255 11.311 5.554 1.00 0.00 H new ATOM 1196 N PRO A 80 8.847 7.280 1.256 1.00 0.00 N ATOM 1197 CA PRO A 80 9.850 6.796 0.322 1.00 0.00 C ATOM 1198 C PRO A 80 11.079 7.707 0.317 1.00 0.00 C ATOM 1199 O PRO A 80 10.967 8.906 0.064 1.00 0.00 O ATOM 1200 CB PRO A 80 9.143 6.746 -1.023 1.00 0.00 C ATOM 1201 CG PRO A 80 7.919 7.637 -0.884 1.00 0.00 C ATOM 1202 CD PRO A 80 7.713 7.919 0.595 1.00 0.00 C ATOM 0 HA PRO A 80 10.236 5.813 0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.796 7.101 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.856 5.725 -1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.060 8.567 -1.434 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.041 7.148 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.691 8.990 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.767 7.509 0.948 1.00 0.00 H new ATOM 1210 N ILE A 81 12.224 7.103 0.599 1.00 0.00 N ATOM 1211 CA ILE A 81 13.473 7.845 0.630 1.00 0.00 C ATOM 1212 C ILE A 81 14.132 7.785 -0.750 1.00 0.00 C ATOM 1213 O ILE A 81 14.986 6.935 -0.997 1.00 0.00 O ATOM 1214 CB ILE A 81 14.370 7.338 1.762 1.00 0.00 C ATOM 1215 CG1 ILE A 81 13.575 7.176 3.059 1.00 0.00 C ATOM 1216 CG2 ILE A 81 15.588 8.245 1.945 1.00 0.00 C ATOM 1217 CD1 ILE A 81 12.947 5.783 3.147 1.00 0.00 C ATOM 0 H ILE A 81 12.313 6.109 0.808 1.00 0.00 H new ATOM 0 HA ILE A 81 13.286 8.896 0.849 1.00 0.00 H new ATOM 0 HB ILE A 81 14.743 6.351 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 81 14.231 7.338 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 81 12.794 7.935 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 81 16.208 7.862 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.168 8.266 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.257 9.255 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.388 5.694 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.273 5.634 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 81 13.732 5.028 3.122 1.00 0.00 H new ATOM 1229 N LYS A 82 13.710 8.697 -1.612 1.00 0.00 N ATOM 1230 CA LYS A 82 14.248 8.759 -2.961 1.00 0.00 C ATOM 1231 C LYS A 82 13.866 7.484 -3.716 1.00 0.00 C ATOM 1232 O LYS A 82 13.596 6.452 -3.103 1.00 0.00 O ATOM 1233 CB LYS A 82 15.754 9.024 -2.925 1.00 0.00 C ATOM 1234 CG LYS A 82 16.044 10.498 -2.634 1.00 0.00 C ATOM 1235 CD LYS A 82 16.757 10.662 -1.290 1.00 0.00 C ATOM 1236 CE LYS A 82 17.032 12.137 -0.991 1.00 0.00 C ATOM 1237 NZ LYS A 82 18.453 12.462 -1.247 1.00 0.00 N ATOM 0 H LYS A 82 13.001 9.400 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 82 13.813 9.596 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.219 8.400 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.199 8.744 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.661 10.915 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.111 11.061 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.146 10.234 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.696 10.109 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.392 12.765 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.784 12.356 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.622 13.467 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.058 11.876 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.678 12.272 -2.244 1.00 0.00 H new ATOM 1251 N GLU A 83 13.855 7.597 -5.036 1.00 0.00 N ATOM 1252 CA GLU A 83 13.511 6.466 -5.881 1.00 0.00 C ATOM 1253 C GLU A 83 12.064 6.037 -5.630 1.00 0.00 C ATOM 1254 O GLU A 83 11.625 5.961 -4.483 1.00 0.00 O ATOM 1255 CB GLU A 83 14.475 5.300 -5.656 1.00 0.00 C ATOM 1256 CG GLU A 83 15.794 5.529 -6.397 1.00 0.00 C ATOM 1257 CD GLU A 83 16.986 5.418 -5.443 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.128 6.333 -4.604 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.726 4.419 -5.574 1.00 0.00 O ATOM 0 H GLU A 83 14.079 8.454 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 83 13.603 6.774 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.668 5.184 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.017 4.373 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.896 4.798 -7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.787 6.514 -6.863 1.00 0.00 H new ATOM 1266 N ASP A 84 11.362 5.768 -6.721 1.00 0.00 N ATOM 1267 CA ASP A 84 9.974 5.349 -6.634 1.00 0.00 C ATOM 1268 C ASP A 84 9.865 4.154 -5.684 1.00 0.00 C ATOM 1269 O ASP A 84 10.876 3.566 -5.303 1.00 0.00 O ATOM 1270 CB ASP A 84 9.442 4.915 -8.002 1.00 0.00 C ATOM 1271 CG ASP A 84 10.502 4.381 -8.967 1.00 0.00 C ATOM 1272 OD1 ASP A 84 11.506 5.098 -9.162 1.00 0.00 O ATOM 1273 OD2 ASP A 84 10.283 3.266 -9.489 1.00 0.00 O ATOM 0 H ASP A 84 11.729 5.832 -7.670 1.00 0.00 H new ATOM 0 HA ASP A 84 9.389 6.194 -6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.686 4.144 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.943 5.765 -8.468 1.00 0.00 H new ATOM 1278 N TYR A 85 8.630 3.831 -5.330 1.00 0.00 N ATOM 1279 CA TYR A 85 8.376 2.717 -4.432 1.00 0.00 C ATOM 1280 C TYR A 85 7.418 1.708 -5.068 1.00 0.00 C ATOM 1281 O TYR A 85 6.296 2.056 -5.432 1.00 0.00 O ATOM 1282 CB TYR A 85 7.715 3.318 -3.191 1.00 0.00 C ATOM 1283 CG TYR A 85 8.376 2.909 -1.873 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.751 2.826 -1.788 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.598 2.623 -0.770 1.00 0.00 C ATOM 1286 CE1 TYR A 85 10.373 2.441 -0.548 1.00 0.00 C ATOM 1287 CE2 TYR A 85 8.220 2.238 0.470 1.00 0.00 C ATOM 1288 CZ TYR A 85 9.577 2.166 0.520 1.00 0.00 C ATOM 1289 OH TYR A 85 10.165 1.802 1.691 1.00 0.00 O ATOM 0 H TYR A 85 7.794 4.321 -5.649 1.00 0.00 H new ATOM 0 HA TYR A 85 9.303 2.193 -4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.733 4.405 -3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.667 3.018 -3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.360 3.050 -2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.522 2.688 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.448 2.372 -0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.622 2.012 1.341 1.00 0.00 H new ATOM 0 HH TYR A 85 9.474 1.637 2.366 1.00 0.00 H new ATOM 1299 N ILE A 86 7.896 0.477 -5.182 1.00 0.00 N ATOM 1300 CA ILE A 86 7.096 -0.585 -5.768 1.00 0.00 C ATOM 1301 C ILE A 86 6.450 -1.406 -4.650 1.00 0.00 C ATOM 1302 O ILE A 86 7.099 -2.259 -4.046 1.00 0.00 O ATOM 1303 CB ILE A 86 7.939 -1.419 -6.735 1.00 0.00 C ATOM 1304 CG1 ILE A 86 9.099 -0.597 -7.301 1.00 0.00 C ATOM 1305 CG2 ILE A 86 7.069 -2.020 -7.841 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.592 0.695 -7.945 1.00 0.00 C ATOM 0 H ILE A 86 8.827 0.192 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 86 6.286 -0.167 -6.366 1.00 0.00 H new ATOM 0 HB ILE A 86 8.375 -2.250 -6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.803 -0.358 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.641 -1.187 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.692 -2.608 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.308 -2.662 -7.397 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.586 -1.219 -8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.436 1.261 -8.339 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.907 0.452 -8.757 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.071 1.294 -7.198 1.00 0.00 H new ATOM 1318 N ILE A 87 5.179 -1.120 -4.408 1.00 0.00 N ATOM 1319 CA ILE A 87 4.438 -1.821 -3.373 1.00 0.00 C ATOM 1320 C ILE A 87 3.575 -2.908 -4.018 1.00 0.00 C ATOM 1321 O ILE A 87 2.963 -2.682 -5.061 1.00 0.00 O ATOM 1322 CB ILE A 87 3.644 -0.831 -2.519 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.433 0.461 -2.300 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.212 -1.470 -1.198 1.00 0.00 C ATOM 1325 CD1 ILE A 87 4.057 1.114 -0.968 1.00 0.00 C ATOM 0 H ILE A 87 4.644 -0.412 -4.911 1.00 0.00 H new ATOM 0 HA ILE A 87 5.121 -2.321 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 87 2.736 -0.565 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.501 0.246 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.236 1.155 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.649 -0.745 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.584 -2.338 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.094 -1.784 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.632 2.031 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.993 1.350 -0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.278 0.427 -0.151 1.00 0.00 H new ATOM 1337 N GLU A 88 3.554 -4.063 -3.370 1.00 0.00 N ATOM 1338 CA GLU A 88 2.777 -5.186 -3.867 1.00 0.00 C ATOM 1339 C GLU A 88 1.976 -5.822 -2.729 1.00 0.00 C ATOM 1340 O GLU A 88 2.540 -6.191 -1.700 1.00 0.00 O ATOM 1341 CB GLU A 88 3.677 -6.218 -4.548 1.00 0.00 C ATOM 1342 CG GLU A 88 3.778 -5.952 -6.051 1.00 0.00 C ATOM 1343 CD GLU A 88 3.191 -7.114 -6.854 1.00 0.00 C ATOM 1344 OE1 GLU A 88 1.958 -7.302 -6.762 1.00 0.00 O ATOM 1345 OE2 GLU A 88 3.988 -7.789 -7.542 1.00 0.00 O ATOM 0 H GLU A 88 4.063 -4.246 -2.505 1.00 0.00 H new ATOM 0 HA GLU A 88 2.077 -4.815 -4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.671 -6.189 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.281 -7.219 -4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.249 -5.031 -6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.822 -5.804 -6.328 1.00 0.00 H new ATOM 1352 N VAL A 89 0.675 -5.931 -2.952 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.209 -6.516 -1.958 1.00 0.00 C ATOM 1354 C VAL A 89 -0.453 -7.987 -2.303 1.00 0.00 C ATOM 1355 O VAL A 89 -0.816 -8.312 -3.432 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.501 -5.702 -1.862 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.447 -6.296 -0.817 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.201 -4.233 -1.559 1.00 0.00 C ATOM 0 H VAL A 89 0.211 -5.624 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 89 0.252 -6.485 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.000 -5.749 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.357 -5.699 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.699 -7.320 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.960 -6.294 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.136 -3.676 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.669 -4.158 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.583 -3.816 -2.355 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.245 -8.837 -1.308 1.00 0.00 N ATOM 1369 CA LYS A 90 -0.438 -10.265 -1.491 1.00 0.00 C ATOM 1370 C LYS A 90 -1.414 -10.783 -0.433 1.00 0.00 C ATOM 1371 O LYS A 90 -1.304 -10.436 0.741 1.00 0.00 O ATOM 1372 CB LYS A 90 0.909 -10.992 -1.494 1.00 0.00 C ATOM 1373 CG LYS A 90 1.384 -11.260 -2.923 1.00 0.00 C ATOM 1374 CD LYS A 90 2.145 -12.584 -3.009 1.00 0.00 C ATOM 1375 CE LYS A 90 3.344 -12.468 -3.953 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.106 -13.245 -5.190 1.00 0.00 N ATOM 0 H LYS A 90 0.055 -8.564 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.885 -10.467 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.651 -10.392 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.819 -11.935 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.527 -11.285 -3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.027 -10.445 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.487 -12.876 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.476 -13.370 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.519 -11.421 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.243 -12.832 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.890 -13.088 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.046 -14.257 -4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.214 -12.937 -5.628 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.348 -11.606 -0.888 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.343 -12.175 0.004 1.00 0.00 C ATOM 1392 C ALA A 91 -2.891 -13.570 0.442 1.00 0.00 C ATOM 1393 O ALA A 91 -2.762 -14.472 -0.384 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.704 -12.196 -0.695 1.00 0.00 C ATOM 0 H ALA A 91 -2.436 -11.892 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.447 -11.565 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.450 -12.623 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.993 -11.179 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.639 -12.801 -1.599 1.00 0.00 H new ATOM 1400 N THR A 92 -2.662 -13.702 1.740 1.00 0.00 N ATOM 1401 CA THR A 92 -2.227 -14.971 2.298 1.00 0.00 C ATOM 1402 C THR A 92 -3.377 -15.647 3.047 1.00 0.00 C ATOM 1403 O THR A 92 -4.314 -14.981 3.485 1.00 0.00 O ATOM 1404 CB THR A 92 -1.003 -14.707 3.176 1.00 0.00 C ATOM 1405 OG1 THR A 92 -0.776 -15.948 3.838 1.00 0.00 O ATOM 1406 CG2 THR A 92 -1.298 -13.727 4.313 1.00 0.00 C ATOM 0 H THR A 92 -2.770 -12.951 2.422 1.00 0.00 H new ATOM 0 HA THR A 92 -1.937 -15.669 1.513 1.00 0.00 H new ATOM 0 HB THR A 92 -0.193 -14.316 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.003 -15.867 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.396 -13.575 4.905 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.624 -12.774 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.085 -14.133 4.948 1.00 0.00 H new ATOM 1414 N THR A 93 -3.269 -16.962 3.170 1.00 0.00 N ATOM 1415 CA THR A 93 -4.289 -17.736 3.858 1.00 0.00 C ATOM 1416 C THR A 93 -3.641 -18.786 4.763 1.00 0.00 C ATOM 1417 O THR A 93 -2.426 -18.783 4.952 1.00 0.00 O ATOM 1418 CB THR A 93 -5.221 -18.334 2.803 1.00 0.00 C ATOM 1419 OG1 THR A 93 -4.427 -19.328 2.162 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.552 -17.343 1.685 1.00 0.00 C ATOM 0 H THR A 93 -2.491 -17.511 2.805 1.00 0.00 H new ATOM 0 HA THR A 93 -4.885 -17.107 4.519 1.00 0.00 H new ATOM 0 HB THR A 93 -6.144 -18.665 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.955 -19.768 1.463 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.216 -17.818 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.043 -16.467 2.109 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.633 -17.037 1.186 1.00 0.00 H new ATOM 1428 N ASP A 94 -4.482 -19.659 5.298 1.00 0.00 N ATOM 1429 CA ASP A 94 -4.007 -20.713 6.178 1.00 0.00 C ATOM 1430 C ASP A 94 -3.110 -21.667 5.386 1.00 0.00 C ATOM 1431 O ASP A 94 -2.401 -22.486 5.969 1.00 0.00 O ATOM 1432 CB ASP A 94 -5.173 -21.524 6.746 1.00 0.00 C ATOM 1433 CG ASP A 94 -5.123 -21.757 8.257 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -4.060 -22.222 8.725 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -6.147 -21.466 8.911 1.00 0.00 O ATOM 0 H ASP A 94 -5.490 -19.658 5.139 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.459 -20.247 6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.104 -21.012 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.201 -22.492 6.245 1.00 0.00 H new ATOM 1440 N GLY A 95 -3.170 -21.529 4.070 1.00 0.00 N ATOM 1441 CA GLY A 95 -2.372 -22.368 3.192 1.00 0.00 C ATOM 1442 C GLY A 95 -1.030 -21.707 2.871 1.00 0.00 C ATOM 1443 O GLY A 95 -0.011 -22.385 2.755 1.00 0.00 O ATOM 0 H GLY A 95 -3.759 -20.849 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.201 -23.335 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.919 -22.557 2.268 1.00 0.00 H new ATOM 1447 N GLY A 96 -1.074 -20.389 2.737 1.00 0.00 N ATOM 1448 CA GLY A 96 0.126 -19.628 2.432 1.00 0.00 C ATOM 1449 C GLY A 96 -0.221 -18.322 1.714 1.00 0.00 C ATOM 1450 O GLY A 96 -1.358 -17.857 1.779 1.00 0.00 O ATOM 0 H GLY A 96 -1.921 -19.829 2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.666 -19.408 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.791 -20.225 1.808 1.00 0.00 H new ATOM 1454 N ASP A 97 0.779 -17.767 1.047 1.00 0.00 N ATOM 1455 CA ASP A 97 0.594 -16.524 0.318 1.00 0.00 C ATOM 1456 C ASP A 97 -0.395 -16.751 -0.826 1.00 0.00 C ATOM 1457 O ASP A 97 -0.901 -17.858 -1.004 1.00 0.00 O ATOM 1458 CB ASP A 97 1.913 -16.038 -0.287 1.00 0.00 C ATOM 1459 CG ASP A 97 3.161 -16.361 0.538 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.178 -15.959 1.721 1.00 0.00 O ATOM 1461 OD2 ASP A 97 4.068 -17.003 -0.034 1.00 0.00 O ATOM 0 H ASP A 97 1.721 -18.155 0.996 1.00 0.00 H new ATOM 0 HA ASP A 97 0.221 -15.776 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.026 -16.480 -1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.856 -14.958 -0.425 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.643 -15.684 -1.573 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.563 -15.754 -2.695 1.00 0.00 C ATOM 1468 C GLY A 98 -0.981 -15.055 -3.926 1.00 0.00 C ATOM 1469 O GLY A 98 0.150 -15.332 -4.324 1.00 0.00 O ATOM 0 H GLY A 98 -0.223 -14.767 -1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.776 -16.797 -2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.511 -15.289 -2.422 1.00 0.00 H new ATOM 1473 N THR A 99 -1.779 -14.163 -4.493 1.00 0.00 N ATOM 1474 CA THR A 99 -1.357 -13.423 -5.670 1.00 0.00 C ATOM 1475 C THR A 99 -1.017 -11.978 -5.298 1.00 0.00 C ATOM 1476 O THR A 99 -1.543 -11.444 -4.323 1.00 0.00 O ATOM 1477 CB THR A 99 -2.463 -13.535 -6.721 1.00 0.00 C ATOM 1478 OG1 THR A 99 -2.837 -14.910 -6.685 1.00 0.00 O ATOM 1479 CG2 THR A 99 -1.941 -13.329 -8.145 1.00 0.00 C ATOM 0 H THR A 99 -2.716 -13.936 -4.159 1.00 0.00 H new ATOM 0 HA THR A 99 -0.443 -13.841 -6.093 1.00 0.00 H new ATOM 0 HB THR A 99 -3.240 -12.801 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.528 -15.079 -7.359 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.766 -13.419 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.497 -12.337 -8.230 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.188 -14.084 -8.369 1.00 0.00 H new ATOM 1487 N SER A 100 -0.140 -11.386 -6.095 1.00 0.00 N ATOM 1488 CA SER A 100 0.276 -10.013 -5.862 1.00 0.00 C ATOM 1489 C SER A 100 -0.446 -9.076 -6.831 1.00 0.00 C ATOM 1490 O SER A 100 -0.380 -9.261 -8.045 1.00 0.00 O ATOM 1491 CB SER A 100 1.792 -9.865 -6.010 1.00 0.00 C ATOM 1492 OG SER A 100 2.178 -9.662 -7.367 1.00 0.00 O ATOM 0 H SER A 100 0.294 -11.832 -6.903 1.00 0.00 H new ATOM 0 HA SER A 100 0.010 -9.743 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.135 -9.025 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.283 -10.758 -5.623 1.00 0.00 H new ATOM 0 HG SER A 100 1.870 -8.781 -7.667 1.00 0.00 H new ATOM 1498 N SER A 101 -1.120 -8.089 -6.258 1.00 0.00 N ATOM 1499 CA SER A 101 -1.854 -7.122 -7.055 1.00 0.00 C ATOM 1500 C SER A 101 -0.901 -6.398 -8.008 1.00 0.00 C ATOM 1501 O SER A 101 0.175 -6.905 -8.320 1.00 0.00 O ATOM 1502 CB SER A 101 -2.583 -6.113 -6.165 1.00 0.00 C ATOM 1503 OG SER A 101 -1.700 -5.121 -5.649 1.00 0.00 O ATOM 0 H SER A 101 -1.173 -7.939 -5.251 1.00 0.00 H new ATOM 0 HA SER A 101 -2.603 -7.658 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.375 -5.631 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.061 -6.638 -5.338 1.00 0.00 H new ATOM 0 HG SER A 101 -1.993 -4.235 -5.949 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.331 -5.222 -8.444 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.529 -4.423 -9.355 1.00 0.00 C ATOM 1511 C GLU A 102 0.428 -3.523 -8.569 1.00 0.00 C ATOM 1512 O GLU A 102 -0.006 -2.718 -7.747 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.417 -3.597 -10.287 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.665 -4.335 -11.604 1.00 0.00 C ATOM 1515 CD GLU A 102 -2.109 -3.365 -12.701 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -1.229 -2.630 -13.198 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -3.318 -3.381 -13.017 1.00 0.00 O ATOM 0 H GLU A 102 -2.224 -4.804 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 102 0.063 -5.097 -9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.369 -3.388 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.944 -2.636 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.755 -4.848 -11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.428 -5.099 -11.459 1.00 0.00 H new ATOM 1524 N GLN A 103 1.712 -3.691 -8.850 1.00 0.00 N ATOM 1525 CA GLN A 103 2.733 -2.904 -8.181 1.00 0.00 C ATOM 1526 C GLN A 103 2.317 -1.433 -8.123 1.00 0.00 C ATOM 1527 O GLN A 103 1.843 -0.879 -9.113 1.00 0.00 O ATOM 1528 CB GLN A 103 4.089 -3.063 -8.872 1.00 0.00 C ATOM 1529 CG GLN A 103 4.276 -2.006 -9.962 1.00 0.00 C ATOM 1530 CD GLN A 103 5.601 -2.208 -10.700 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.100 -3.312 -10.841 1.00 0.00 O ATOM 1532 NE2 GLN A 103 6.141 -1.083 -11.161 1.00 0.00 N ATOM 0 H GLN A 103 2.068 -4.361 -9.532 1.00 0.00 H new ATOM 0 HA GLN A 103 2.837 -3.273 -7.160 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.888 -2.977 -8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.164 -4.059 -9.309 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.449 -2.059 -10.670 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.251 -1.011 -9.517 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.670 -0.191 -11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.026 -1.112 -11.667 1.00 0.00 H new ATOM 1541 N ILE A 104 2.509 -0.842 -6.953 1.00 0.00 N ATOM 1542 CA ILE A 104 2.160 0.554 -6.753 1.00 0.00 C ATOM 1543 C ILE A 104 3.379 1.429 -7.051 1.00 0.00 C ATOM 1544 O ILE A 104 4.512 1.037 -6.772 1.00 0.00 O ATOM 1545 CB ILE A 104 1.578 0.766 -5.353 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.754 -0.446 -4.913 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.771 2.064 -5.285 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.392 -0.023 -3.992 1.00 0.00 C ATOM 0 H ILE A 104 2.902 -1.305 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 104 1.376 0.853 -7.448 1.00 0.00 H new ATOM 0 HB ILE A 104 2.405 0.865 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.352 -0.955 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.396 -1.159 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.369 2.190 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.418 2.908 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.050 2.020 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.962 -0.903 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.014 0.464 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.046 0.671 -4.520 1.00 0.00 H new ATOM 1560 N ARG A 105 3.107 2.597 -7.613 1.00 0.00 N ATOM 1561 CA ARG A 105 4.168 3.530 -7.952 1.00 0.00 C ATOM 1562 C ARG A 105 4.055 4.795 -7.098 1.00 0.00 C ATOM 1563 O ARG A 105 3.195 5.640 -7.345 1.00 0.00 O ATOM 1564 CB ARG A 105 4.111 3.915 -9.431 1.00 0.00 C ATOM 1565 CG ARG A 105 5.518 4.047 -10.018 1.00 0.00 C ATOM 1566 CD ARG A 105 5.489 3.937 -11.544 1.00 0.00 C ATOM 1567 NE ARG A 105 6.714 4.536 -12.118 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.829 4.936 -13.391 1.00 0.00 C ATOM 1569 NH1 ARG A 105 5.794 4.804 -14.231 1.00 0.00 N ATOM 1570 NH2 ARG A 105 7.980 5.469 -13.825 1.00 0.00 N ATOM 0 H ARG A 105 2.167 2.919 -7.842 1.00 0.00 H new ATOM 0 HA ARG A 105 5.119 3.037 -7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.551 3.162 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.576 4.858 -9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.949 5.005 -9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.162 3.270 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.413 2.891 -11.840 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.608 4.444 -11.937 1.00 0.00 H new ATOM 0 HE ARG A 105 7.522 4.652 -11.506 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.918 4.399 -13.901 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.882 5.109 -15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.768 5.570 -13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.067 5.774 -14.795 1.00 0.00 H new ATOM 1584 N ILE A 106 4.934 4.885 -6.111 1.00 0.00 N ATOM 1585 CA ILE A 106 4.944 6.032 -5.220 1.00 0.00 C ATOM 1586 C ILE A 106 6.214 6.851 -5.463 1.00 0.00 C ATOM 1587 O ILE A 106 7.317 6.396 -5.162 1.00 0.00 O ATOM 1588 CB ILE A 106 4.770 5.584 -3.768 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.447 4.838 -3.579 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.902 6.769 -2.808 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.489 3.956 -2.330 1.00 0.00 C ATOM 0 H ILE A 106 5.645 4.182 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 106 4.098 6.686 -5.431 1.00 0.00 H new ATOM 0 HB ILE A 106 5.571 4.885 -3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.630 5.555 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.243 4.223 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.774 6.422 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.889 7.219 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.137 7.511 -3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.537 3.437 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.292 3.225 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.669 4.577 -1.452 1.00 0.00 H new ATOM 1603 N PRO A 107 6.011 8.075 -6.019 1.00 0.00 N ATOM 1604 CA PRO A 107 7.126 8.961 -6.306 1.00 0.00 C ATOM 1605 C PRO A 107 7.667 9.595 -5.023 1.00 0.00 C ATOM 1606 O PRO A 107 6.901 9.924 -4.118 1.00 0.00 O ATOM 1607 CB PRO A 107 6.575 9.983 -7.287 1.00 0.00 C ATOM 1608 CG PRO A 107 5.062 9.913 -7.155 1.00 0.00 C ATOM 1609 CD PRO A 107 4.719 8.647 -6.388 1.00 0.00 C ATOM 0 HA PRO A 107 7.980 8.437 -6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.941 10.983 -7.056 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.889 9.756 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.684 10.791 -6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.593 9.902 -8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.118 8.869 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.141 7.956 -7.002 1.00 0.00 H new ATOM 1617 N ARG A 108 8.982 9.749 -4.985 1.00 0.00 N ATOM 1618 CA ARG A 108 9.634 10.338 -3.827 1.00 0.00 C ATOM 1619 C ARG A 108 8.955 11.656 -3.450 1.00 0.00 C ATOM 1620 O ARG A 108 7.974 12.055 -4.075 1.00 0.00 O ATOM 1621 CB ARG A 108 11.117 10.596 -4.102 1.00 0.00 C ATOM 1622 CG ARG A 108 11.319 11.207 -5.490 1.00 0.00 C ATOM 1623 CD ARG A 108 12.329 10.396 -6.304 1.00 0.00 C ATOM 1624 NE ARG A 108 13.699 10.897 -6.054 1.00 0.00 N ATOM 1625 CZ ARG A 108 14.766 10.570 -6.795 1.00 0.00 C ATOM 1626 NH1 ARG A 108 14.628 9.740 -7.839 1.00 0.00 N ATOM 1627 NH2 ARG A 108 15.971 11.073 -6.494 1.00 0.00 N ATOM 0 H ARG A 108 9.614 9.476 -5.737 1.00 0.00 H new ATOM 0 HA ARG A 108 9.547 9.631 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.520 11.267 -3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.672 9.661 -4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.366 11.243 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.668 12.235 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.263 9.342 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.095 10.468 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 108 13.840 11.531 -5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.711 9.358 -8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.440 9.491 -8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.076 11.705 -5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.783 10.824 -7.058 1.00 0.00 H new