USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 616 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 Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0693) USER MOD Single : A 25 ASN : amide:sc= 0.426 K(o=0.43,f=-4.2!) USER MOD Single : A 33 SER OG : rot 20:sc= 0.677 USER MOD Single : A 37 THR OG1 : rot -176:sc= -0.792 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -66:sc= 1.16 USER MOD Single : A 57 SER OG : rot 129:sc= 0.706 USER MOD Single : A 62 SER OG : rot -70:sc= -3.82! USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00413) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -3.76! K(o=-3.8!,f=1.1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.505 X(o=-0.51,f=-0.5) USER MOD Single : A 83 HIS : no HE2:sc= -0.662 K(o=-0.66,f=-1.7) USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= -0.164 (180deg=-1.39!) USER MOD Single : A 92 SER OG : rot 29:sc= 1.23 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc=-0.00535 K(o=-0.0054,f=-0.59) USER MOD Single : A 99 THR OG1 : rot -168:sc= -0.994 USER MOD Single : A 101 LYS NZ :NH3+ -128:sc= 0.229 (180deg=-0.0236) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -5.985 11.380 6.363 1.00 0.00 N ATOM 272 CA GLU A 21 -5.703 10.051 5.834 1.00 0.00 C ATOM 273 C GLU A 21 -6.948 9.441 5.200 1.00 0.00 C ATOM 274 O GLU A 21 -8.052 9.567 5.731 1.00 0.00 O ATOM 275 CB GLU A 21 -5.182 9.137 6.944 1.00 0.00 C ATOM 276 CG GLU A 21 -3.892 9.628 7.582 1.00 0.00 C ATOM 277 CD GLU A 21 -4.132 10.681 8.646 1.00 0.00 C ATOM 278 OE1 GLU A 21 -5.101 10.532 9.420 1.00 0.00 O ATOM 279 OE2 GLU A 21 -3.352 11.654 8.705 1.00 0.00 O ATOM 0 HA GLU A 21 -4.937 10.150 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.947 9.044 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.019 8.140 6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.365 8.783 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.242 10.039 6.809 1.00 0.00 H new ATOM 286 N LYS A 22 -6.764 8.779 4.062 1.00 0.00 N ATOM 287 CA LYS A 22 -7.874 8.149 3.355 1.00 0.00 C ATOM 288 C LYS A 22 -7.561 6.690 3.043 1.00 0.00 C ATOM 289 O LYS A 22 -6.701 6.392 2.215 1.00 0.00 O ATOM 290 CB LYS A 22 -8.176 8.907 2.061 1.00 0.00 C ATOM 291 CG LYS A 22 -9.510 8.532 1.435 1.00 0.00 C ATOM 292 CD LYS A 22 -9.822 9.401 0.227 1.00 0.00 C ATOM 293 CE LYS A 22 -9.482 8.689 -1.073 1.00 0.00 C ATOM 294 NZ LYS A 22 -8.898 9.619 -2.079 1.00 0.00 N ATOM 0 H LYS A 22 -5.857 8.665 3.610 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.751 8.183 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.168 9.977 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.380 8.714 1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.491 7.484 1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.303 8.638 2.175 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.879 9.667 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.259 10.332 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.777 7.883 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.382 8.230 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.680 9.095 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.581 10.375 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.025 10.038 -1.699 1.00 0.00 H new ATOM 308 N LYS A 23 -8.265 5.784 3.714 1.00 0.00 N ATOM 309 CA LYS A 23 -8.063 4.354 3.507 1.00 0.00 C ATOM 310 C LYS A 23 -9.072 3.800 2.506 1.00 0.00 C ATOM 311 O LYS A 23 -10.241 4.186 2.510 1.00 0.00 O ATOM 312 CB LYS A 23 -8.178 3.606 4.838 1.00 0.00 C ATOM 313 CG LYS A 23 -6.863 3.012 5.317 1.00 0.00 C ATOM 314 CD LYS A 23 -7.070 2.087 6.506 1.00 0.00 C ATOM 315 CE LYS A 23 -5.746 1.573 7.051 1.00 0.00 C ATOM 316 NZ LYS A 23 -5.751 0.092 7.214 1.00 0.00 N ATOM 0 H LYS A 23 -8.979 6.014 4.405 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.062 4.207 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.557 4.290 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.912 2.807 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.394 2.460 4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.179 3.815 5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.606 2.618 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.694 1.244 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.939 1.862 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.542 2.044 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.888 -0.205 7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.585 -0.194 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.784 -0.360 6.278 1.00 0.00 H new ATOM 330 N VAL A 24 -8.612 2.894 1.650 1.00 0.00 N ATOM 331 CA VAL A 24 -9.473 2.288 0.643 1.00 0.00 C ATOM 332 C VAL A 24 -9.260 0.779 0.575 1.00 0.00 C ATOM 333 O VAL A 24 -8.275 0.306 0.009 1.00 0.00 O ATOM 334 CB VAL A 24 -9.222 2.892 -0.751 1.00 0.00 C ATOM 335 CG1 VAL A 24 -10.261 2.397 -1.745 1.00 0.00 C ATOM 336 CG2 VAL A 24 -9.222 4.412 -0.681 1.00 0.00 C ATOM 0 H VAL A 24 -7.647 2.563 1.634 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.501 2.496 0.941 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.241 2.566 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.066 2.835 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.207 1.311 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.255 2.690 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.043 4.822 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.188 4.759 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.435 4.745 -0.004 1.00 0.00 H new ATOM 346 N ASN A 25 -10.191 0.029 1.155 1.00 0.00 N ATOM 347 CA ASN A 25 -10.106 -1.427 1.161 1.00 0.00 C ATOM 348 C ASN A 25 -10.439 -1.996 -0.215 1.00 0.00 C ATOM 349 O ASN A 25 -11.239 -1.426 -0.956 1.00 0.00 O ATOM 350 CB ASN A 25 -11.053 -2.011 2.210 1.00 0.00 C ATOM 351 CG ASN A 25 -12.494 -1.597 1.983 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.803 -0.410 1.884 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.385 -2.579 1.900 1.00 0.00 N ATOM 0 H ASN A 25 -11.013 0.405 1.627 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.082 -1.705 1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.983 -3.099 2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.737 -1.687 3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.370 -2.362 1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.084 -3.550 1.988 1.00 0.00 H new ATOM 360 N LEU A 26 -9.820 -3.124 -0.548 1.00 0.00 N ATOM 361 CA LEU A 26 -10.052 -3.772 -1.835 1.00 0.00 C ATOM 362 C LEU A 26 -9.860 -5.281 -1.727 1.00 0.00 C ATOM 363 O LEU A 26 -8.948 -5.754 -1.048 1.00 0.00 O ATOM 364 CB LEU A 26 -9.107 -3.200 -2.894 1.00 0.00 C ATOM 365 CG LEU A 26 -9.442 -1.782 -3.363 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.420 -1.302 -4.382 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.845 -1.735 -3.948 1.00 0.00 C ATOM 0 H LEU A 26 -9.154 -3.608 0.054 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.082 -3.576 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.093 -3.204 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.111 -3.863 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.405 -1.115 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.674 -0.292 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.428 -1.300 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.424 -1.970 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.068 -0.720 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.908 -2.414 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.566 -2.037 -3.189 1.00 0.00 H new ATOM 379 N VAL A 27 -10.725 -6.032 -2.401 1.00 0.00 N ATOM 380 CA VAL A 27 -10.651 -7.488 -2.382 1.00 0.00 C ATOM 381 C VAL A 27 -10.402 -8.044 -3.779 1.00 0.00 C ATOM 382 O VAL A 27 -11.291 -8.033 -4.630 1.00 0.00 O ATOM 383 CB VAL A 27 -11.943 -8.108 -1.819 1.00 0.00 C ATOM 384 CG1 VAL A 27 -11.775 -9.606 -1.618 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.338 -7.430 -0.515 1.00 0.00 C ATOM 0 H VAL A 27 -11.486 -5.656 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.816 -7.754 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.743 -7.949 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.699 -10.026 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.545 -10.078 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.961 -9.790 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.253 -7.882 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.539 -7.554 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.505 -6.368 -0.693 1.00 0.00 H new ATOM 395 N LEU A 28 -9.187 -8.531 -4.009 1.00 0.00 N ATOM 396 CA LEU A 28 -8.822 -9.093 -5.304 1.00 0.00 C ATOM 397 C LEU A 28 -9.356 -10.513 -5.452 1.00 0.00 C ATOM 398 O LEU A 28 -8.960 -11.415 -4.715 1.00 0.00 O ATOM 399 CB LEU A 28 -7.301 -9.086 -5.476 1.00 0.00 C ATOM 400 CG LEU A 28 -6.651 -7.702 -5.451 1.00 0.00 C ATOM 401 CD1 LEU A 28 -5.136 -7.825 -5.392 1.00 0.00 C ATOM 402 CD2 LEU A 28 -7.075 -6.893 -6.667 1.00 0.00 C ATOM 0 H LEU A 28 -8.439 -8.548 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.271 -8.474 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.859 -9.692 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.056 -9.568 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.988 -7.179 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.691 -6.830 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.850 -8.366 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.781 -8.367 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.603 -5.911 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.767 -7.412 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.159 -6.775 -6.666 1.00 0.00 H new ATOM 464 N SER A 33 -5.978 -7.233 -9.982 1.00 0.00 N ATOM 465 CA SER A 33 -4.912 -6.286 -9.678 1.00 0.00 C ATOM 466 C SER A 33 -5.480 -4.897 -9.404 1.00 0.00 C ATOM 467 O SER A 33 -6.684 -4.673 -9.521 1.00 0.00 O ATOM 468 CB SER A 33 -3.913 -6.222 -10.835 1.00 0.00 C ATOM 469 OG SER A 33 -3.959 -7.405 -11.615 1.00 0.00 O ATOM 0 HA SER A 33 -4.398 -6.632 -8.781 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.135 -5.359 -11.464 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.906 -6.080 -10.443 1.00 0.00 H new ATOM 0 HG SER A 33 -4.808 -7.869 -11.456 1.00 0.00 H new ATOM 475 N LEU A 34 -4.603 -3.966 -9.040 1.00 0.00 N ATOM 476 CA LEU A 34 -5.016 -2.598 -8.750 1.00 0.00 C ATOM 477 C LEU A 34 -5.023 -1.751 -10.017 1.00 0.00 C ATOM 478 O LEU A 34 -5.973 -1.013 -10.278 1.00 0.00 O ATOM 479 CB LEU A 34 -4.085 -1.971 -7.709 1.00 0.00 C ATOM 480 CG LEU A 34 -4.041 -2.694 -6.362 1.00 0.00 C ATOM 481 CD1 LEU A 34 -2.789 -2.307 -5.590 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.288 -2.381 -5.550 1.00 0.00 C ATOM 0 H LEU A 34 -3.602 -4.135 -8.939 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.029 -2.629 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.076 -1.938 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.395 -0.940 -7.541 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.011 -3.768 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.774 -2.831 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.906 -2.581 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.788 -1.231 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.241 -2.903 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.347 -1.307 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.171 -2.708 -6.099 1.00 0.00 H new ATOM 494 N GLY A 35 -3.956 -1.862 -10.803 1.00 0.00 N ATOM 495 CA GLY A 35 -3.859 -1.101 -12.034 1.00 0.00 C ATOM 496 C GLY A 35 -3.388 0.320 -11.798 1.00 0.00 C ATOM 497 O GLY A 35 -3.946 1.266 -12.357 1.00 0.00 O ATOM 0 H GLY A 35 -3.157 -2.466 -10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.170 -1.601 -12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.832 -1.082 -12.524 1.00 0.00 H new ATOM 501 N LEU A 36 -2.361 0.472 -10.970 1.00 0.00 N ATOM 502 CA LEU A 36 -1.816 1.789 -10.660 1.00 0.00 C ATOM 503 C LEU A 36 -0.349 1.882 -11.069 1.00 0.00 C ATOM 504 O LEU A 36 0.443 0.986 -10.782 1.00 0.00 O ATOM 505 CB LEU A 36 -1.960 2.085 -9.166 1.00 0.00 C ATOM 506 CG LEU A 36 -3.381 1.955 -8.615 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.354 1.810 -7.101 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.221 3.155 -9.023 1.00 0.00 C ATOM 0 H LEU A 36 -1.888 -0.301 -10.501 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.380 2.530 -11.227 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.309 1.409 -8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.604 3.097 -8.976 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.835 1.058 -9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.373 1.719 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.787 0.919 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.882 2.688 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.229 3.046 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.770 4.066 -8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.267 3.214 -10.110 1.00 0.00 H new ATOM 520 N THR A 37 0.005 2.974 -11.739 1.00 0.00 N ATOM 521 CA THR A 37 1.376 3.186 -12.186 1.00 0.00 C ATOM 522 C THR A 37 2.164 3.991 -11.156 1.00 0.00 C ATOM 523 O THR A 37 2.468 5.165 -11.370 1.00 0.00 O ATOM 524 CB THR A 37 1.390 3.906 -13.535 1.00 0.00 C ATOM 525 OG1 THR A 37 0.479 3.301 -14.436 1.00 0.00 O ATOM 526 CG2 THR A 37 2.752 3.914 -14.196 1.00 0.00 C ATOM 0 H THR A 37 -0.639 3.726 -11.984 1.00 0.00 H new ATOM 0 HA THR A 37 1.851 2.211 -12.300 1.00 0.00 H new ATOM 0 HB THR A 37 1.105 4.935 -13.316 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.547 3.736 -15.312 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.691 4.440 -15.149 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.468 4.419 -13.548 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.079 2.889 -14.368 1.00 0.00 H new ATOM 534 N ILE A 38 2.491 3.351 -10.038 1.00 0.00 N ATOM 535 CA ILE A 38 3.241 4.007 -8.975 1.00 0.00 C ATOM 536 C ILE A 38 4.684 4.265 -9.397 1.00 0.00 C ATOM 537 O ILE A 38 5.249 3.521 -10.198 1.00 0.00 O ATOM 538 CB ILE A 38 3.239 3.167 -7.684 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.668 1.729 -7.984 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.863 3.191 -7.037 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.567 1.131 -6.924 1.00 0.00 C ATOM 0 H ILE A 38 2.248 2.379 -9.845 1.00 0.00 H new ATOM 0 HA ILE A 38 2.746 4.959 -8.782 1.00 0.00 H new ATOM 0 HB ILE A 38 3.954 3.601 -6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.779 1.107 -8.087 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.186 1.706 -8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.879 2.593 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.594 4.218 -6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.128 2.779 -7.729 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.831 0.111 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.474 1.729 -6.836 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.045 1.121 -5.967 1.00 0.00 H new ATOM 553 N ARG A 39 5.274 5.323 -8.852 1.00 0.00 N ATOM 554 CA ARG A 39 6.652 5.679 -9.170 1.00 0.00 C ATOM 555 C ARG A 39 7.390 6.166 -7.928 1.00 0.00 C ATOM 556 O ARG A 39 6.799 6.800 -7.052 1.00 0.00 O ATOM 557 CB ARG A 39 6.684 6.759 -10.254 1.00 0.00 C ATOM 558 CG ARG A 39 6.068 8.079 -9.816 1.00 0.00 C ATOM 559 CD ARG A 39 7.095 9.201 -9.806 1.00 0.00 C ATOM 560 NE ARG A 39 7.405 9.671 -11.155 1.00 0.00 N ATOM 561 CZ ARG A 39 6.629 10.499 -11.848 1.00 0.00 C ATOM 562 NH1 ARG A 39 5.495 10.951 -11.326 1.00 0.00 N ATOM 563 NH2 ARG A 39 6.986 10.878 -13.068 1.00 0.00 N ATOM 0 H ARG A 39 4.819 5.949 -8.188 1.00 0.00 H new ATOM 0 HA ARG A 39 7.155 4.786 -9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.718 6.931 -10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.154 6.395 -11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.250 8.340 -10.488 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.640 7.968 -8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.718 10.032 -9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.009 8.852 -9.325 1.00 0.00 H new ATOM 0 HE ARG A 39 8.268 9.344 -11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.215 10.663 -10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.904 11.586 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.856 10.534 -13.475 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.391 11.513 -13.599 1.00 0.00 H new ATOM 577 N GLY A 40 8.681 5.865 -7.856 1.00 0.00 N ATOM 578 CA GLY A 40 9.477 6.279 -6.716 1.00 0.00 C ATOM 579 C GLY A 40 9.440 5.269 -5.587 1.00 0.00 C ATOM 580 O GLY A 40 8.494 4.490 -5.472 1.00 0.00 O ATOM 0 H GLY A 40 9.191 5.341 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.509 6.428 -7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.113 7.240 -6.352 1.00 0.00 H new ATOM 584 N GLY A 41 10.473 5.281 -4.751 1.00 0.00 N ATOM 585 CA GLY A 41 10.536 4.355 -3.635 1.00 0.00 C ATOM 586 C GLY A 41 11.851 4.438 -2.886 1.00 0.00 C ATOM 587 O GLY A 41 12.581 5.423 -3.007 1.00 0.00 O ATOM 0 H GLY A 41 11.268 5.916 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.716 4.563 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.394 3.338 -4.002 1.00 0.00 H new ATOM 591 N ALA A 42 12.155 3.403 -2.111 1.00 0.00 N ATOM 592 CA ALA A 42 13.391 3.363 -1.340 1.00 0.00 C ATOM 593 C ALA A 42 14.610 3.378 -2.255 1.00 0.00 C ATOM 594 O ALA A 42 15.673 3.875 -1.882 1.00 0.00 O ATOM 595 CB ALA A 42 13.415 2.134 -0.445 1.00 0.00 C ATOM 0 H ALA A 42 11.562 2.580 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 42 13.429 4.255 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.344 2.117 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.569 2.167 0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.350 1.236 -1.059 1.00 0.00 H new ATOM 601 N GLU A 43 14.452 2.828 -3.455 1.00 0.00 N ATOM 602 CA GLU A 43 15.541 2.778 -4.423 1.00 0.00 C ATOM 603 C GLU A 43 15.963 4.184 -4.840 1.00 0.00 C ATOM 604 O GLU A 43 17.148 4.514 -4.836 1.00 0.00 O ATOM 605 CB GLU A 43 15.122 1.970 -5.653 1.00 0.00 C ATOM 606 CG GLU A 43 16.199 1.022 -6.153 1.00 0.00 C ATOM 607 CD GLU A 43 16.177 0.855 -7.660 1.00 0.00 C ATOM 608 OE1 GLU A 43 15.076 0.682 -8.222 1.00 0.00 O ATOM 609 OE2 GLU A 43 17.262 0.898 -8.277 1.00 0.00 O ATOM 0 H GLU A 43 13.580 2.411 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 43 16.393 2.289 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.227 1.396 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.854 2.658 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.176 1.395 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.068 0.048 -5.682 1.00 0.00 H new ATOM 616 N TYR A 44 14.984 5.008 -5.200 1.00 0.00 N ATOM 617 CA TYR A 44 15.255 6.379 -5.620 1.00 0.00 C ATOM 618 C TYR A 44 15.068 7.359 -4.464 1.00 0.00 C ATOM 619 O TYR A 44 14.923 8.562 -4.678 1.00 0.00 O ATOM 620 CB TYR A 44 14.340 6.767 -6.783 1.00 0.00 C ATOM 621 CG TYR A 44 14.447 5.841 -7.973 1.00 0.00 C ATOM 622 CD1 TYR A 44 13.874 4.575 -7.946 1.00 0.00 C ATOM 623 CD2 TYR A 44 15.119 6.233 -9.125 1.00 0.00 C ATOM 624 CE1 TYR A 44 13.969 3.726 -9.032 1.00 0.00 C ATOM 625 CE2 TYR A 44 15.217 5.389 -10.214 1.00 0.00 C ATOM 626 CZ TYR A 44 14.642 4.137 -10.163 1.00 0.00 C ATOM 627 OH TYR A 44 14.738 3.294 -11.247 1.00 0.00 O ATOM 0 H TYR A 44 13.997 4.751 -5.209 1.00 0.00 H new ATOM 0 HA TYR A 44 16.294 6.430 -5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.308 6.778 -6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.580 7.782 -7.100 1.00 0.00 H new ATOM 0 HD1 TYR A 44 13.346 4.250 -7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.571 7.213 -9.169 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.518 2.745 -8.995 1.00 0.00 H new ATOM 0 HE2 TYR A 44 15.742 5.709 -11.102 1.00 0.00 H new ATOM 0 HH TYR A 44 15.243 3.736 -11.961 1.00 0.00 H new ATOM 637 N GLY A 45 15.073 6.838 -3.238 1.00 0.00 N ATOM 638 CA GLY A 45 14.904 7.686 -2.070 1.00 0.00 C ATOM 639 C GLY A 45 13.679 8.578 -2.164 1.00 0.00 C ATOM 640 O GLY A 45 13.633 9.645 -1.553 1.00 0.00 O ATOM 0 H GLY A 45 15.191 5.846 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.825 7.061 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.791 8.307 -1.946 1.00 0.00 H new ATOM 644 N LEU A 46 12.687 8.141 -2.931 1.00 0.00 N ATOM 645 CA LEU A 46 11.458 8.907 -3.103 1.00 0.00 C ATOM 646 C LEU A 46 10.250 8.121 -2.604 1.00 0.00 C ATOM 647 O LEU A 46 10.245 6.889 -2.629 1.00 0.00 O ATOM 648 CB LEU A 46 11.265 9.280 -4.574 1.00 0.00 C ATOM 649 CG LEU A 46 10.138 10.279 -4.846 1.00 0.00 C ATOM 650 CD1 LEU A 46 10.639 11.705 -4.679 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.567 10.071 -6.241 1.00 0.00 C ATOM 0 H LEU A 46 12.710 7.260 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 46 11.544 9.819 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.198 9.696 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.068 8.370 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 46 9.342 10.108 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.825 12.402 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.000 11.847 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.452 11.889 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.767 10.790 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.354 10.215 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.171 9.059 -6.325 1.00 0.00 H new ATOM 663 N GLY A 47 9.228 8.839 -2.152 1.00 0.00 N ATOM 664 CA GLY A 47 8.029 8.192 -1.655 1.00 0.00 C ATOM 665 C GLY A 47 7.299 7.415 -2.734 1.00 0.00 C ATOM 666 O GLY A 47 7.719 7.404 -3.891 1.00 0.00 O ATOM 0 H GLY A 47 9.209 9.858 -2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.295 7.516 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.360 8.945 -1.238 1.00 0.00 H new ATOM 670 N ILE A 48 6.205 6.764 -2.354 1.00 0.00 N ATOM 671 CA ILE A 48 5.416 5.980 -3.297 1.00 0.00 C ATOM 672 C ILE A 48 4.251 6.795 -3.847 1.00 0.00 C ATOM 673 O ILE A 48 3.184 6.862 -3.236 1.00 0.00 O ATOM 674 CB ILE A 48 4.868 4.698 -2.643 1.00 0.00 C ATOM 675 CG1 ILE A 48 5.985 3.961 -1.901 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.237 3.796 -3.693 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.080 3.449 -2.811 1.00 0.00 C ATOM 0 H ILE A 48 5.845 6.764 -1.400 1.00 0.00 H new ATOM 0 HA ILE A 48 6.082 5.704 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 48 4.099 4.975 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.422 4.631 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.555 3.121 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.854 2.894 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.418 4.324 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.986 3.523 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.837 2.938 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.656 2.753 -3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.537 4.287 -3.338 1.00 0.00 H new ATOM 689 N TYR A 49 4.461 7.413 -5.005 1.00 0.00 N ATOM 690 CA TYR A 49 3.427 8.223 -5.638 1.00 0.00 C ATOM 691 C TYR A 49 2.724 7.440 -6.743 1.00 0.00 C ATOM 692 O TYR A 49 3.017 6.266 -6.969 1.00 0.00 O ATOM 693 CB TYR A 49 4.033 9.504 -6.212 1.00 0.00 C ATOM 694 CG TYR A 49 4.523 10.469 -5.156 1.00 0.00 C ATOM 695 CD1 TYR A 49 3.660 11.392 -4.578 1.00 0.00 C ATOM 696 CD2 TYR A 49 5.848 10.458 -4.740 1.00 0.00 C ATOM 697 CE1 TYR A 49 4.104 12.276 -3.613 1.00 0.00 C ATOM 698 CE2 TYR A 49 6.299 11.339 -3.775 1.00 0.00 C ATOM 699 CZ TYR A 49 5.424 12.246 -3.215 1.00 0.00 C ATOM 700 OH TYR A 49 5.869 13.124 -2.255 1.00 0.00 O ATOM 0 H TYR A 49 5.338 7.368 -5.524 1.00 0.00 H new ATOM 0 HA TYR A 49 2.691 8.486 -4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.865 9.241 -6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.287 10.003 -6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.626 11.419 -4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.537 9.750 -5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.421 12.987 -3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.332 11.317 -3.461 1.00 0.00 H new ATOM 0 HH TYR A 49 6.822 12.971 -2.088 1.00 0.00 H new ATOM 710 N ILE A 50 1.796 8.099 -7.429 1.00 0.00 N ATOM 711 CA ILE A 50 1.052 7.467 -8.511 1.00 0.00 C ATOM 712 C ILE A 50 1.072 8.331 -9.768 1.00 0.00 C ATOM 713 O ILE A 50 1.255 9.546 -9.694 1.00 0.00 O ATOM 714 CB ILE A 50 -0.411 7.202 -8.106 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.466 6.479 -6.759 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.120 6.389 -9.180 1.00 0.00 C ATOM 717 CD1 ILE A 50 -1.863 6.378 -6.186 1.00 0.00 C ATOM 0 H ILE A 50 1.542 9.071 -7.254 1.00 0.00 H new ATOM 0 HA ILE A 50 1.541 6.515 -8.719 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.924 8.158 -8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.057 5.476 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.173 7.003 -6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.152 6.210 -8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.106 6.939 -10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.610 5.435 -9.310 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.827 5.854 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.268 7.379 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.501 5.828 -6.878 1.00 0.00 H new ATOM 729 N THR A 51 0.881 7.697 -10.919 1.00 0.00 N ATOM 730 CA THR A 51 0.879 8.409 -12.192 1.00 0.00 C ATOM 731 C THR A 51 0.322 7.529 -13.307 1.00 0.00 C ATOM 732 O THR A 51 0.859 7.498 -14.414 1.00 0.00 O ATOM 733 CB THR A 51 2.294 8.869 -12.546 1.00 0.00 C ATOM 734 OG1 THR A 51 2.327 9.438 -13.842 1.00 0.00 O ATOM 735 CG2 THR A 51 3.313 7.750 -12.509 1.00 0.00 C ATOM 0 H THR A 51 0.726 6.692 -10.997 1.00 0.00 H new ATOM 0 HA THR A 51 0.236 9.283 -12.090 1.00 0.00 H new ATOM 0 HB THR A 51 2.558 9.604 -11.786 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.127 8.747 -14.508 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.295 8.144 -12.770 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.348 7.322 -11.507 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.031 6.977 -13.224 1.00 0.00 H new ATOM 743 N GLY A 52 -0.758 6.815 -13.008 1.00 0.00 N ATOM 744 CA GLY A 52 -1.369 5.945 -13.995 1.00 0.00 C ATOM 745 C GLY A 52 -2.535 5.156 -13.434 1.00 0.00 C ATOM 746 O GLY A 52 -2.489 4.695 -12.293 1.00 0.00 O ATOM 0 H GLY A 52 -1.221 6.823 -12.099 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.713 6.544 -14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.619 5.254 -14.379 1.00 0.00 H new ATOM 750 N VAL A 53 -3.581 5.001 -14.237 1.00 0.00 N ATOM 751 CA VAL A 53 -4.766 4.261 -13.817 1.00 0.00 C ATOM 752 C VAL A 53 -5.404 3.533 -14.994 1.00 0.00 C ATOM 753 O VAL A 53 -5.582 4.106 -16.070 1.00 0.00 O ATOM 754 CB VAL A 53 -5.813 5.192 -13.176 1.00 0.00 C ATOM 755 CG1 VAL A 53 -6.946 4.382 -12.567 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.163 6.087 -12.132 1.00 0.00 C ATOM 0 H VAL A 53 -3.633 5.378 -15.183 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.437 3.532 -13.076 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.233 5.829 -13.955 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.676 5.057 -12.119 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.429 3.790 -13.344 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.547 3.718 -11.800 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.918 6.738 -11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.714 5.471 -11.353 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.391 6.695 -12.604 1.00 0.00 H new ATOM 766 N ASP A 54 -5.746 2.266 -14.786 1.00 0.00 N ATOM 767 CA ASP A 54 -6.364 1.459 -15.832 1.00 0.00 C ATOM 768 C ASP A 54 -7.884 1.447 -15.683 1.00 0.00 C ATOM 769 O ASP A 54 -8.406 1.378 -14.571 1.00 0.00 O ATOM 770 CB ASP A 54 -5.826 0.028 -15.787 1.00 0.00 C ATOM 771 CG ASP A 54 -4.420 -0.079 -16.345 1.00 0.00 C ATOM 772 OD1 ASP A 54 -4.131 0.590 -17.359 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.608 -0.832 -15.767 1.00 0.00 O ATOM 0 H ASP A 54 -5.606 1.776 -13.903 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.113 1.904 -16.795 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.833 -0.328 -14.757 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.490 -0.625 -16.354 1.00 0.00 H new ATOM 778 N PRO A 55 -8.620 1.514 -16.809 1.00 0.00 N ATOM 779 CA PRO A 55 -10.085 1.510 -16.793 1.00 0.00 C ATOM 780 C PRO A 55 -10.657 0.123 -16.521 1.00 0.00 C ATOM 781 O PRO A 55 -10.452 -0.807 -17.301 1.00 0.00 O ATOM 782 CB PRO A 55 -10.448 1.971 -18.203 1.00 0.00 C ATOM 783 CG PRO A 55 -9.311 1.517 -19.050 1.00 0.00 C ATOM 784 CD PRO A 55 -8.083 1.600 -18.181 1.00 0.00 C ATOM 0 HA PRO A 55 -10.490 2.143 -16.003 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.389 1.532 -18.534 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.568 3.053 -18.248 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.471 0.498 -19.403 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.207 2.147 -19.933 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.388 0.787 -18.391 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.541 2.532 -18.341 1.00 0.00 H new ATOM 792 N GLY A 56 -11.377 -0.009 -15.411 1.00 0.00 N ATOM 793 CA GLY A 56 -11.967 -1.288 -15.058 1.00 0.00 C ATOM 794 C GLY A 56 -11.300 -1.928 -13.858 1.00 0.00 C ATOM 795 O GLY A 56 -11.909 -2.737 -13.159 1.00 0.00 O ATOM 0 H GLY A 56 -11.562 0.746 -14.750 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.027 -1.149 -14.848 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.897 -1.963 -15.911 1.00 0.00 H new ATOM 799 N SER A 57 -10.041 -1.569 -13.617 1.00 0.00 N ATOM 800 CA SER A 57 -9.291 -2.118 -12.492 1.00 0.00 C ATOM 801 C SER A 57 -10.005 -1.841 -11.172 1.00 0.00 C ATOM 802 O SER A 57 -10.988 -1.101 -11.130 1.00 0.00 O ATOM 803 CB SER A 57 -7.882 -1.526 -12.456 1.00 0.00 C ATOM 804 OG SER A 57 -7.907 -0.171 -12.043 1.00 0.00 O ATOM 0 H SER A 57 -9.520 -0.901 -14.185 1.00 0.00 H new ATOM 0 HA SER A 57 -9.222 -3.198 -12.626 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.258 -2.105 -11.775 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.428 -1.600 -13.444 1.00 0.00 H new ATOM 0 HG SER A 57 -7.262 -0.038 -11.317 1.00 0.00 H new ATOM 810 N GLU A 58 -9.503 -2.440 -10.097 1.00 0.00 N ATOM 811 CA GLU A 58 -10.093 -2.258 -8.776 1.00 0.00 C ATOM 812 C GLU A 58 -9.817 -0.855 -8.245 1.00 0.00 C ATOM 813 O GLU A 58 -10.675 -0.240 -7.612 1.00 0.00 O ATOM 814 CB GLU A 58 -9.542 -3.302 -7.802 1.00 0.00 C ATOM 815 CG GLU A 58 -10.327 -4.604 -7.798 1.00 0.00 C ATOM 816 CD GLU A 58 -11.288 -4.701 -6.628 1.00 0.00 C ATOM 817 OE1 GLU A 58 -10.817 -4.913 -5.491 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.508 -4.564 -6.850 1.00 0.00 O ATOM 0 H GLU A 58 -8.690 -3.055 -10.115 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.172 -2.387 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.504 -3.514 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.543 -2.884 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.885 -4.691 -8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.632 -5.443 -7.763 1.00 0.00 H new ATOM 825 N ALA A 59 -8.614 -0.355 -8.506 1.00 0.00 N ATOM 826 CA ALA A 59 -8.225 0.975 -8.054 1.00 0.00 C ATOM 827 C ALA A 59 -9.045 2.055 -8.752 1.00 0.00 C ATOM 828 O ALA A 59 -9.446 3.041 -8.134 1.00 0.00 O ATOM 829 CB ALA A 59 -6.739 1.201 -8.294 1.00 0.00 C ATOM 0 H ALA A 59 -7.892 -0.851 -9.028 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.424 1.040 -6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.463 2.198 -7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.164 0.456 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.525 1.111 -9.359 1.00 0.00 H new ATOM 835 N GLU A 60 -9.292 1.861 -10.044 1.00 0.00 N ATOM 836 CA GLU A 60 -10.065 2.817 -10.827 1.00 0.00 C ATOM 837 C GLU A 60 -11.479 2.956 -10.273 1.00 0.00 C ATOM 838 O GLU A 60 -12.018 4.060 -10.188 1.00 0.00 O ATOM 839 CB GLU A 60 -10.119 2.385 -12.293 1.00 0.00 C ATOM 840 CG GLU A 60 -10.224 3.546 -13.268 1.00 0.00 C ATOM 841 CD GLU A 60 -11.528 3.544 -14.041 1.00 0.00 C ATOM 842 OE1 GLU A 60 -12.067 2.446 -14.294 1.00 0.00 O ATOM 843 OE2 GLU A 60 -12.011 4.640 -14.396 1.00 0.00 O ATOM 0 H GLU A 60 -8.968 1.050 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.571 3.786 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.225 1.807 -12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.973 1.723 -12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.132 4.484 -12.721 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.391 3.503 -13.969 1.00 0.00 H new ATOM 850 N GLY A 61 -12.076 1.829 -9.899 1.00 0.00 N ATOM 851 CA GLY A 61 -13.423 1.847 -9.359 1.00 0.00 C ATOM 852 C GLY A 61 -13.489 2.484 -7.985 1.00 0.00 C ATOM 853 O GLY A 61 -14.447 3.189 -7.666 1.00 0.00 O ATOM 0 H GLY A 61 -11.651 0.904 -9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.077 2.392 -10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.802 0.826 -9.301 1.00 0.00 H new ATOM 857 N SER A 62 -12.469 2.236 -7.170 1.00 0.00 N ATOM 858 CA SER A 62 -12.416 2.790 -5.822 1.00 0.00 C ATOM 859 C SER A 62 -12.399 4.315 -5.861 1.00 0.00 C ATOM 860 O SER A 62 -13.326 4.969 -5.384 1.00 0.00 O ATOM 861 CB SER A 62 -11.179 2.273 -5.084 1.00 0.00 C ATOM 862 OG SER A 62 -11.480 1.104 -4.342 1.00 0.00 O ATOM 0 H SER A 62 -11.668 1.655 -7.419 1.00 0.00 H new ATOM 0 HA SER A 62 -13.310 2.468 -5.288 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.387 2.058 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.802 3.046 -4.414 1.00 0.00 H new ATOM 0 HG SER A 62 -12.053 1.337 -3.582 1.00 0.00 H new ATOM 868 N GLY A 63 -11.336 4.875 -6.430 1.00 0.00 N ATOM 869 CA GLY A 63 -11.217 6.319 -6.520 1.00 0.00 C ATOM 870 C GLY A 63 -9.778 6.787 -6.427 1.00 0.00 C ATOM 871 O GLY A 63 -9.473 7.739 -5.709 1.00 0.00 O ATOM 0 H GLY A 63 -10.555 4.355 -6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.646 6.658 -7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.798 6.779 -5.721 1.00 0.00 H new ATOM 875 N LEU A 64 -8.892 6.117 -7.156 1.00 0.00 N ATOM 876 CA LEU A 64 -7.477 6.469 -7.154 1.00 0.00 C ATOM 877 C LEU A 64 -7.090 7.176 -8.448 1.00 0.00 C ATOM 878 O LEU A 64 -7.336 6.668 -9.543 1.00 0.00 O ATOM 879 CB LEU A 64 -6.619 5.216 -6.967 1.00 0.00 C ATOM 880 CG LEU A 64 -6.531 4.699 -5.528 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.758 3.196 -5.482 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.186 5.056 -4.913 1.00 0.00 C ATOM 0 H LEU A 64 -9.129 5.327 -7.756 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.299 7.151 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.019 4.423 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.611 5.428 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.315 5.181 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.691 2.849 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.746 2.965 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.999 2.695 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.142 4.680 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.386 4.605 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.065 6.139 -4.907 1.00 0.00 H new ATOM 894 N LYS A 65 -6.484 8.351 -8.316 1.00 0.00 N ATOM 895 CA LYS A 65 -6.063 9.130 -9.475 1.00 0.00 C ATOM 896 C LYS A 65 -4.545 9.277 -9.509 1.00 0.00 C ATOM 897 O LYS A 65 -3.844 8.795 -8.620 1.00 0.00 O ATOM 898 CB LYS A 65 -6.720 10.510 -9.453 1.00 0.00 C ATOM 899 CG LYS A 65 -8.220 10.474 -9.705 1.00 0.00 C ATOM 900 CD LYS A 65 -8.961 11.468 -8.822 1.00 0.00 C ATOM 901 CE LYS A 65 -9.633 12.555 -9.646 1.00 0.00 C ATOM 902 NZ LYS A 65 -10.788 12.029 -10.425 1.00 0.00 N ATOM 0 H LYS A 65 -6.273 8.785 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.379 8.599 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.534 10.977 -8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.248 11.140 -10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.419 10.699 -10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.597 9.469 -9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.711 10.942 -8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.263 11.922 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.974 13.352 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.906 12.995 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.280 12.817 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.446 11.360 -11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.446 11.542 -9.784 1.00 0.00 H new ATOM 916 N VAL A 66 -4.044 9.949 -10.541 1.00 0.00 N ATOM 917 CA VAL A 66 -2.610 10.160 -10.692 1.00 0.00 C ATOM 918 C VAL A 66 -2.122 11.291 -9.792 1.00 0.00 C ATOM 919 O VAL A 66 -2.763 12.337 -9.691 1.00 0.00 O ATOM 920 CB VAL A 66 -2.242 10.490 -12.151 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.441 9.272 -13.041 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.060 11.667 -12.655 1.00 0.00 C ATOM 0 H VAL A 66 -4.611 10.356 -11.285 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.122 9.230 -10.401 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.189 10.768 -12.186 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.176 9.524 -14.068 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.805 8.458 -12.692 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.484 8.959 -13.002 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.786 11.885 -13.687 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.121 11.421 -12.605 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.861 12.541 -12.034 1.00 0.00 H new ATOM 932 N GLY A 67 -0.986 11.071 -9.138 1.00 0.00 N ATOM 933 CA GLY A 67 -0.433 12.081 -8.254 1.00 0.00 C ATOM 934 C GLY A 67 -0.600 11.727 -6.789 1.00 0.00 C ATOM 935 O GLY A 67 0.162 12.192 -5.941 1.00 0.00 O ATOM 0 H GLY A 67 -0.439 10.213 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.627 12.211 -8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.919 13.037 -8.451 1.00 0.00 H new ATOM 939 N ASP A 68 -1.600 10.904 -6.490 1.00 0.00 N ATOM 940 CA ASP A 68 -1.864 10.489 -5.116 1.00 0.00 C ATOM 941 C ASP A 68 -0.644 9.802 -4.509 1.00 0.00 C ATOM 942 O ASP A 68 0.085 9.087 -5.198 1.00 0.00 O ATOM 943 CB ASP A 68 -3.070 9.550 -5.067 1.00 0.00 C ATOM 944 CG ASP A 68 -4.374 10.270 -5.350 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.471 10.930 -6.407 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.297 10.175 -4.516 1.00 0.00 O ATOM 0 H ASP A 68 -2.241 10.511 -7.180 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.083 11.382 -4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.934 8.750 -5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.123 9.081 -4.084 1.00 0.00 H new ATOM 951 N GLN A 69 -0.430 10.022 -3.216 1.00 0.00 N ATOM 952 CA GLN A 69 0.701 9.424 -2.515 1.00 0.00 C ATOM 953 C GLN A 69 0.235 8.331 -1.560 1.00 0.00 C ATOM 954 O GLN A 69 -0.679 8.537 -0.762 1.00 0.00 O ATOM 955 CB GLN A 69 1.472 10.497 -1.743 1.00 0.00 C ATOM 956 CG GLN A 69 2.865 10.060 -1.323 1.00 0.00 C ATOM 957 CD GLN A 69 3.400 10.865 -0.154 1.00 0.00 C ATOM 958 OE1 GLN A 69 3.442 12.094 -0.199 1.00 0.00 O ATOM 959 NE2 GLN A 69 3.811 10.173 0.903 1.00 0.00 N ATOM 0 H GLN A 69 -1.025 10.610 -2.632 1.00 0.00 H new ATOM 0 HA GLN A 69 1.360 8.974 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.552 11.391 -2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.904 10.773 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.845 9.004 -1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.544 10.160 -2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.758 9.154 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.179 10.660 1.720 1.00 0.00 H new ATOM 968 N ILE A 70 0.871 7.166 -1.647 1.00 0.00 N ATOM 969 CA ILE A 70 0.522 6.040 -0.790 1.00 0.00 C ATOM 970 C ILE A 70 1.335 6.060 0.501 1.00 0.00 C ATOM 971 O ILE A 70 2.564 6.125 0.472 1.00 0.00 O ATOM 972 CB ILE A 70 0.753 4.695 -1.505 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.120 4.716 -2.897 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.190 3.550 -0.677 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.550 3.560 -3.773 1.00 0.00 C ATOM 0 H ILE A 70 1.630 6.978 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.537 6.140 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 70 1.826 4.541 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.965 4.700 -2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.379 5.652 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.361 2.607 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.685 3.525 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.881 3.696 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.063 3.639 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.631 3.587 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.266 2.620 -3.300 1.00 0.00 H new ATOM 987 N LEU A 71 0.641 6.007 1.633 1.00 0.00 N ATOM 988 CA LEU A 71 1.298 6.019 2.934 1.00 0.00 C ATOM 989 C LEU A 71 1.622 4.600 3.393 1.00 0.00 C ATOM 990 O LEU A 71 2.788 4.233 3.531 1.00 0.00 O ATOM 991 CB LEU A 71 0.413 6.713 3.970 1.00 0.00 C ATOM 992 CG LEU A 71 0.135 8.192 3.696 1.00 0.00 C ATOM 993 CD1 LEU A 71 -0.864 8.742 4.703 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.429 8.993 3.736 1.00 0.00 C ATOM 0 H LEU A 71 -0.377 5.955 1.675 1.00 0.00 H new ATOM 0 HA LEU A 71 2.232 6.572 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.539 6.184 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.885 6.623 4.948 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.296 8.283 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.050 9.795 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.799 8.187 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.460 8.639 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.213 10.043 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.887 8.895 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.114 8.615 2.977 1.00 0.00 H new ATOM 1006 N GLU A 72 0.581 3.807 3.626 1.00 0.00 N ATOM 1007 CA GLU A 72 0.754 2.429 4.069 1.00 0.00 C ATOM 1008 C GLU A 72 -0.172 1.491 3.300 1.00 0.00 C ATOM 1009 O GLU A 72 -1.113 1.935 2.643 1.00 0.00 O ATOM 1010 CB GLU A 72 0.483 2.315 5.570 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.943 2.668 5.960 1.00 0.00 C ATOM 1012 CD GLU A 72 -1.042 4.010 6.658 1.00 0.00 C ATOM 1013 OE1 GLU A 72 -0.104 4.823 6.518 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -2.057 4.249 7.345 1.00 0.00 O ATOM 0 H GLU A 72 -0.391 4.095 3.515 1.00 0.00 H new ATOM 0 HA GLU A 72 1.785 2.136 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.697 1.296 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.170 2.970 6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.567 2.681 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.339 1.892 6.615 1.00 0.00 H new ATOM 1021 N VAL A 73 0.102 0.194 3.388 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.707 -0.804 2.701 1.00 0.00 C ATOM 1023 C VAL A 73 -0.693 -2.133 3.449 1.00 0.00 C ATOM 1024 O VAL A 73 0.368 -2.713 3.684 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.213 -1.035 1.261 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.185 -1.919 0.496 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.013 0.294 0.547 1.00 0.00 C ATOM 0 H VAL A 73 0.878 -0.190 3.928 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.726 -0.417 2.670 1.00 0.00 H new ATOM 0 HB VAL A 73 0.748 -1.547 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.818 -2.070 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.272 -2.883 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.163 -1.439 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.336 0.112 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.958 0.835 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.727 0.888 1.084 1.00 0.00 H new ATOM 1037 N ASN A 74 -1.876 -2.611 3.819 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.000 -3.872 4.541 1.00 0.00 C ATOM 1039 C ASN A 74 -1.251 -3.816 5.868 1.00 0.00 C ATOM 1040 O ASN A 74 -0.744 -4.829 6.349 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.467 -5.026 3.689 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.486 -5.518 2.681 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.477 -6.152 3.041 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.246 -5.228 1.407 1.00 0.00 N ATOM 0 H ASN A 74 -2.763 -2.144 3.631 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.057 -4.040 4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.568 -4.702 3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.176 -5.851 4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.896 -5.534 0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.411 -4.700 1.153 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.187 -2.626 6.456 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.498 -2.461 7.721 1.00 0.00 C ATOM 1053 C GLY A 75 1.006 -2.362 7.555 1.00 0.00 C ATOM 1054 O GLY A 75 1.763 -2.729 8.455 1.00 0.00 O ATOM 0 H GLY A 75 -1.600 -1.773 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.865 -1.562 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.734 -3.303 8.372 1.00 0.00 H new ATOM 1058 N ARG A 76 1.441 -1.865 6.401 1.00 0.00 N ATOM 1059 CA ARG A 76 2.865 -1.720 6.120 1.00 0.00 C ATOM 1060 C ARG A 76 3.182 -0.309 5.636 1.00 0.00 C ATOM 1061 O ARG A 76 2.521 0.214 4.738 1.00 0.00 O ATOM 1062 CB ARG A 76 3.305 -2.742 5.071 1.00 0.00 C ATOM 1063 CG ARG A 76 4.809 -2.778 4.852 1.00 0.00 C ATOM 1064 CD ARG A 76 5.288 -4.181 4.512 1.00 0.00 C ATOM 1065 NE ARG A 76 6.551 -4.502 5.174 1.00 0.00 N ATOM 1066 CZ ARG A 76 7.358 -5.488 4.789 1.00 0.00 C ATOM 1067 NH1 ARG A 76 7.042 -6.249 3.749 1.00 0.00 N ATOM 1068 NH2 ARG A 76 8.488 -5.713 5.447 1.00 0.00 N ATOM 0 H ARG A 76 0.828 -1.556 5.646 1.00 0.00 H new ATOM 0 HA ARG A 76 3.413 -1.900 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.967 -3.732 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.814 -2.514 4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.077 -2.095 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.317 -2.426 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.529 -4.905 4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.411 -4.271 3.433 1.00 0.00 H new ATOM 0 HE ARG A 76 6.830 -3.938 5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.175 -6.080 3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.666 -7.003 3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.737 -5.131 6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.108 -6.468 5.153 1.00 0.00 H new ATOM 1082 N SER A 77 4.198 0.302 6.237 1.00 0.00 N ATOM 1083 CA SER A 77 4.604 1.653 5.868 1.00 0.00 C ATOM 1084 C SER A 77 5.258 1.668 4.490 1.00 0.00 C ATOM 1085 O SER A 77 6.296 1.041 4.278 1.00 0.00 O ATOM 1086 CB SER A 77 5.569 2.220 6.911 1.00 0.00 C ATOM 1087 OG SER A 77 5.309 3.592 7.154 1.00 0.00 O ATOM 0 H SER A 77 4.755 -0.117 6.982 1.00 0.00 H new ATOM 0 HA SER A 77 3.711 2.277 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.475 1.659 7.841 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.596 2.097 6.566 1.00 0.00 H new ATOM 0 HG SER A 77 5.938 3.930 7.825 1.00 0.00 H new ATOM 1093 N PHE A 78 4.644 2.388 3.558 1.00 0.00 N ATOM 1094 CA PHE A 78 5.166 2.485 2.199 1.00 0.00 C ATOM 1095 C PHE A 78 5.935 3.789 2.004 1.00 0.00 C ATOM 1096 O PHE A 78 5.821 4.439 0.966 1.00 0.00 O ATOM 1097 CB PHE A 78 4.023 2.394 1.186 1.00 0.00 C ATOM 1098 CG PHE A 78 3.721 0.989 0.747 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.508 -0.012 1.682 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.647 0.671 -0.599 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.230 -1.305 1.282 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.369 -0.620 -1.005 1.00 0.00 C ATOM 1103 CZ PHE A 78 3.159 -1.609 -0.064 1.00 0.00 C ATOM 0 H PHE A 78 3.784 2.913 3.718 1.00 0.00 H new ATOM 0 HA PHE A 78 5.852 1.654 2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.125 2.830 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.275 2.993 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.560 0.221 2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.808 1.441 -1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.068 -2.077 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.316 -0.856 -2.058 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.940 -2.618 -0.380 1.00 0.00 H new ATOM 1113 N LEU A 79 6.718 4.163 3.010 1.00 0.00 N ATOM 1114 CA LEU A 79 7.505 5.390 2.949 1.00 0.00 C ATOM 1115 C LEU A 79 8.914 5.107 2.433 1.00 0.00 C ATOM 1116 O LEU A 79 9.528 5.954 1.785 1.00 0.00 O ATOM 1117 CB LEU A 79 7.578 6.043 4.330 1.00 0.00 C ATOM 1118 CG LEU A 79 6.345 6.858 4.726 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.337 7.121 6.224 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.304 8.169 3.953 1.00 0.00 C ATOM 0 H LEU A 79 6.825 3.635 3.876 1.00 0.00 H new ATOM 0 HA LEU A 79 7.013 6.074 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.735 5.264 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.451 6.695 4.361 1.00 0.00 H new ATOM 0 HG LEU A 79 5.455 6.281 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.453 7.702 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.320 6.172 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.232 7.678 6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.421 8.737 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.199 8.750 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.262 7.960 2.884 1.00 0.00 H new ATOM 1132 N ASN A 80 9.418 3.913 2.725 1.00 0.00 N ATOM 1133 CA ASN A 80 10.753 3.521 2.291 1.00 0.00 C ATOM 1134 C ASN A 80 10.737 2.128 1.669 1.00 0.00 C ATOM 1135 O ASN A 80 11.646 1.327 1.890 1.00 0.00 O ATOM 1136 CB ASN A 80 11.728 3.556 3.470 1.00 0.00 C ATOM 1137 CG ASN A 80 13.170 3.389 3.034 1.00 0.00 C ATOM 1138 OD1 ASN A 80 13.681 4.169 2.229 1.00 0.00 O ATOM 1139 ND2 ASN A 80 13.835 2.369 3.564 1.00 0.00 N ATOM 0 H ASN A 80 8.922 3.200 3.260 1.00 0.00 H new ATOM 0 HA ASN A 80 11.084 4.232 1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.619 4.502 4.000 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.470 2.765 4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.809 2.207 3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.372 1.748 4.227 1.00 0.00 H new ATOM 1146 N ILE A 81 9.697 1.845 0.891 1.00 0.00 N ATOM 1147 CA ILE A 81 9.563 0.548 0.238 1.00 0.00 C ATOM 1148 C ILE A 81 10.134 0.586 -1.177 1.00 0.00 C ATOM 1149 O ILE A 81 10.062 1.608 -1.859 1.00 0.00 O ATOM 1150 CB ILE A 81 8.088 0.098 0.181 1.00 0.00 C ATOM 1151 CG1 ILE A 81 7.979 -1.302 -0.429 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.255 1.096 -0.610 1.00 0.00 C ATOM 1153 CD1 ILE A 81 6.905 -2.157 0.208 1.00 0.00 C ATOM 0 H ILE A 81 8.936 2.496 0.698 1.00 0.00 H new ATOM 0 HA ILE A 81 10.128 -0.170 0.833 1.00 0.00 H new ATOM 0 HB ILE A 81 7.699 0.060 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.774 -1.210 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.940 -1.808 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.218 0.762 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.308 2.074 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.642 1.168 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.885 -3.134 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.120 -2.280 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.936 -1.673 0.088 1.00 0.00 H new ATOM 1165 N LEU A 82 10.699 -0.535 -1.611 1.00 0.00 N ATOM 1166 CA LEU A 82 11.282 -0.631 -2.945 1.00 0.00 C ATOM 1167 C LEU A 82 10.232 -0.360 -4.019 1.00 0.00 C ATOM 1168 O LEU A 82 9.031 -0.430 -3.758 1.00 0.00 O ATOM 1169 CB LEU A 82 11.899 -2.015 -3.156 1.00 0.00 C ATOM 1170 CG LEU A 82 13.374 -2.133 -2.762 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.659 -3.502 -2.164 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.268 -1.877 -3.965 1.00 0.00 C ATOM 0 H LEU A 82 10.766 -1.390 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 82 12.064 0.124 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.326 -2.743 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.796 -2.286 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 82 13.591 -1.378 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.712 -3.567 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.043 -3.647 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.426 -4.275 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.313 -1.965 -3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.050 -2.609 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.083 -0.874 -4.349 1.00 0.00 H new ATOM 1184 N HIS A 83 10.694 -0.051 -5.225 1.00 0.00 N ATOM 1185 CA HIS A 83 9.796 0.230 -6.340 1.00 0.00 C ATOM 1186 C HIS A 83 9.226 -1.061 -6.919 1.00 0.00 C ATOM 1187 O HIS A 83 8.075 -1.103 -7.353 1.00 0.00 O ATOM 1188 CB HIS A 83 10.532 1.011 -7.430 1.00 0.00 C ATOM 1189 CG HIS A 83 9.657 1.397 -8.583 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.279 1.376 -8.522 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.971 1.816 -9.832 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.784 1.765 -9.684 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.789 2.038 -10.494 1.00 0.00 N ATOM 0 H HIS A 83 11.685 0.011 -5.456 1.00 0.00 H new ATOM 0 HA HIS A 83 8.970 0.834 -5.965 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.962 1.912 -6.993 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.362 0.409 -7.800 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.729 1.103 -7.708 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.965 1.950 -10.232 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.735 1.846 -9.929 1.00 0.00 H new ATOM 1202 N ASP A 84 10.039 -2.112 -6.922 1.00 0.00 N ATOM 1203 CA ASP A 84 9.616 -3.404 -7.448 1.00 0.00 C ATOM 1204 C ASP A 84 8.771 -4.158 -6.425 1.00 0.00 C ATOM 1205 O ASP A 84 7.876 -4.922 -6.786 1.00 0.00 O ATOM 1206 CB ASP A 84 10.833 -4.243 -7.841 1.00 0.00 C ATOM 1207 CG ASP A 84 10.617 -5.009 -9.131 1.00 0.00 C ATOM 1208 OD1 ASP A 84 9.476 -5.461 -9.369 1.00 0.00 O ATOM 1209 OD2 ASP A 84 11.587 -5.156 -9.904 1.00 0.00 O ATOM 0 H ASP A 84 10.995 -2.094 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 84 9.007 -3.225 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.700 -3.591 -7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.061 -4.945 -7.039 1.00 0.00 H new ATOM 1214 N GLU A 85 9.063 -3.938 -5.147 1.00 0.00 N ATOM 1215 CA GLU A 85 8.331 -4.596 -4.072 1.00 0.00 C ATOM 1216 C GLU A 85 6.944 -3.985 -3.905 1.00 0.00 C ATOM 1217 O GLU A 85 5.982 -4.682 -3.581 1.00 0.00 O ATOM 1218 CB GLU A 85 9.108 -4.490 -2.758 1.00 0.00 C ATOM 1219 CG GLU A 85 8.719 -5.544 -1.735 1.00 0.00 C ATOM 1220 CD GLU A 85 9.557 -5.470 -0.474 1.00 0.00 C ATOM 1221 OE1 GLU A 85 9.761 -4.350 0.039 1.00 0.00 O ATOM 1222 OE2 GLU A 85 10.010 -6.534 0.001 1.00 0.00 O ATOM 0 H GLU A 85 9.801 -3.309 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 85 8.216 -5.648 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.174 -4.575 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.946 -3.501 -2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.667 -5.422 -1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.825 -6.533 -2.180 1.00 0.00 H new ATOM 1229 N ALA A 86 6.847 -2.678 -4.131 1.00 0.00 N ATOM 1230 CA ALA A 86 5.577 -1.974 -4.007 1.00 0.00 C ATOM 1231 C ALA A 86 4.569 -2.474 -5.036 1.00 0.00 C ATOM 1232 O ALA A 86 3.362 -2.470 -4.790 1.00 0.00 O ATOM 1233 CB ALA A 86 5.789 -0.475 -4.157 1.00 0.00 C ATOM 0 H ALA A 86 7.633 -2.086 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 86 5.173 -2.175 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.832 0.039 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.468 -0.124 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.219 -0.265 -5.136 1.00 0.00 H new ATOM 1239 N VAL A 87 5.071 -2.903 -6.188 1.00 0.00 N ATOM 1240 CA VAL A 87 4.213 -3.406 -7.254 1.00 0.00 C ATOM 1241 C VAL A 87 3.902 -4.885 -7.059 1.00 0.00 C ATOM 1242 O VAL A 87 2.742 -5.294 -7.087 1.00 0.00 O ATOM 1243 CB VAL A 87 4.862 -3.209 -8.638 1.00 0.00 C ATOM 1244 CG1 VAL A 87 3.877 -3.553 -9.744 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.373 -1.785 -8.791 1.00 0.00 C ATOM 0 H VAL A 87 6.067 -2.913 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 87 3.287 -2.834 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 87 5.713 -3.885 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.353 -3.408 -10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.567 -4.593 -9.644 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.004 -2.905 -9.668 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.828 -1.665 -9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.542 -1.087 -8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.116 -1.580 -8.020 1.00 0.00 H new ATOM 1255 N ARG A 88 4.946 -5.683 -6.860 1.00 0.00 N ATOM 1256 CA ARG A 88 4.784 -7.119 -6.659 1.00 0.00 C ATOM 1257 C ARG A 88 3.921 -7.403 -5.434 1.00 0.00 C ATOM 1258 O ARG A 88 3.064 -8.287 -5.456 1.00 0.00 O ATOM 1259 CB ARG A 88 6.150 -7.791 -6.504 1.00 0.00 C ATOM 1260 CG ARG A 88 6.675 -8.405 -7.793 1.00 0.00 C ATOM 1261 CD ARG A 88 7.828 -9.358 -7.525 1.00 0.00 C ATOM 1262 NE ARG A 88 7.412 -10.516 -6.736 1.00 0.00 N ATOM 1263 CZ ARG A 88 8.115 -11.642 -6.643 1.00 0.00 C ATOM 1264 NH1 ARG A 88 9.269 -11.767 -7.287 1.00 0.00 N ATOM 1265 NH2 ARG A 88 7.665 -12.646 -5.903 1.00 0.00 N ATOM 0 H ARG A 88 5.913 -5.360 -6.834 1.00 0.00 H new ATOM 0 HA ARG A 88 4.283 -7.529 -7.536 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.869 -7.056 -6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.079 -8.568 -5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.870 -8.939 -8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.004 -7.614 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.246 -9.697 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.622 -8.827 -6.999 1.00 0.00 H new ATOM 0 HE ARG A 88 6.530 -10.457 -6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.621 -10.998 -7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.804 -12.632 -7.212 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.780 -12.555 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.204 -13.509 -5.832 1.00 0.00 H new ATOM 1279 N LEU A 89 4.153 -6.650 -4.364 1.00 0.00 N ATOM 1280 CA LEU A 89 3.396 -6.822 -3.129 1.00 0.00 C ATOM 1281 C LEU A 89 1.954 -6.360 -3.305 1.00 0.00 C ATOM 1282 O LEU A 89 1.033 -6.930 -2.720 1.00 0.00 O ATOM 1283 CB LEU A 89 4.057 -6.045 -1.988 1.00 0.00 C ATOM 1284 CG LEU A 89 3.348 -6.153 -0.636 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.410 -7.579 -0.112 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.965 -5.189 0.366 1.00 0.00 C ATOM 0 H LEU A 89 4.859 -5.915 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 89 3.390 -7.883 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.082 -6.399 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.113 -4.993 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 89 2.301 -5.884 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.901 -7.636 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.923 -8.249 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.451 -7.877 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.449 -5.278 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.020 -5.428 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.868 -4.168 -0.004 1.00 0.00 H new ATOM 1298 N LEU A 90 1.764 -5.323 -4.116 1.00 0.00 N ATOM 1299 CA LEU A 90 0.432 -4.785 -4.368 1.00 0.00 C ATOM 1300 C LEU A 90 -0.333 -5.666 -5.351 1.00 0.00 C ATOM 1301 O LEU A 90 -1.556 -5.775 -5.280 1.00 0.00 O ATOM 1302 CB LEU A 90 0.530 -3.359 -4.914 1.00 0.00 C ATOM 1303 CG LEU A 90 0.611 -2.263 -3.851 1.00 0.00 C ATOM 1304 CD1 LEU A 90 0.991 -0.933 -4.482 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.712 -2.144 -3.108 1.00 0.00 C ATOM 0 H LEU A 90 2.515 -4.840 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.111 -4.769 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.411 -3.290 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.337 -3.168 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 90 1.386 -2.535 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.044 -0.166 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.962 -1.025 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.240 -0.653 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.637 -1.359 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.505 -1.895 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.943 -3.092 -2.622 1.00 0.00 H new ATOM 1317 N LYS A 91 0.398 -6.293 -6.268 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.212 -7.164 -7.266 1.00 0.00 C ATOM 1319 C LYS A 91 0.149 -8.624 -7.006 1.00 0.00 C ATOM 1320 O LYS A 91 0.980 -9.203 -7.705 1.00 0.00 O ATOM 1321 CB LYS A 91 0.238 -6.757 -8.670 1.00 0.00 C ATOM 1322 CG LYS A 91 -0.502 -5.548 -9.220 1.00 0.00 C ATOM 1323 CD LYS A 91 -0.033 -4.261 -8.561 1.00 0.00 C ATOM 1324 CE LYS A 91 0.109 -3.134 -9.573 1.00 0.00 C ATOM 1325 NZ LYS A 91 -0.482 -1.862 -9.075 1.00 0.00 N ATOM 0 H LYS A 91 1.412 -6.214 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.294 -7.058 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.306 -6.541 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.094 -7.599 -9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.347 -5.484 -10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.573 -5.671 -9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.742 -3.968 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.924 -4.431 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.164 -2.980 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.378 -3.420 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.054 -1.057 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.473 -1.796 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.440 -1.843 -8.036 1.00 0.00 H new ATOM 1339 N SER A 92 -0.483 -9.213 -5.996 1.00 0.00 N ATOM 1340 CA SER A 92 -0.230 -10.605 -5.643 1.00 0.00 C ATOM 1341 C SER A 92 -1.134 -11.050 -4.498 1.00 0.00 C ATOM 1342 O SER A 92 -1.729 -12.127 -4.546 1.00 0.00 O ATOM 1343 CB SER A 92 1.237 -10.797 -5.254 1.00 0.00 C ATOM 1344 OG SER A 92 2.036 -11.072 -6.392 1.00 0.00 O ATOM 0 H SER A 92 -1.174 -8.748 -5.408 1.00 0.00 H new ATOM 0 HA SER A 92 -0.450 -11.220 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.605 -9.900 -4.756 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.323 -11.616 -4.540 1.00 0.00 H new ATOM 0 HG SER A 92 1.641 -10.644 -7.180 1.00 0.00 H new ATOM 1350 N SER A 93 -1.232 -10.214 -3.470 1.00 0.00 N ATOM 1351 CA SER A 93 -2.064 -10.520 -2.312 1.00 0.00 C ATOM 1352 C SER A 93 -3.544 -10.392 -2.655 1.00 0.00 C ATOM 1353 O SER A 93 -3.903 -10.037 -3.778 1.00 0.00 O ATOM 1354 CB SER A 93 -1.716 -9.592 -1.148 1.00 0.00 C ATOM 1355 OG SER A 93 -2.031 -10.194 0.096 1.00 0.00 O ATOM 0 H SER A 93 -0.746 -9.319 -3.415 1.00 0.00 H new ATOM 0 HA SER A 93 -1.867 -11.551 -2.017 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.654 -9.347 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.262 -8.654 -1.250 1.00 0.00 H new ATOM 0 HG SER A 93 -1.798 -9.581 0.824 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.400 -10.684 -1.680 1.00 0.00 N ATOM 1362 CA ARG A 94 -5.842 -10.600 -1.879 1.00 0.00 C ATOM 1363 C ARG A 94 -6.381 -9.258 -1.397 1.00 0.00 C ATOM 1364 O ARG A 94 -6.712 -8.385 -2.200 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.546 -11.741 -1.142 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.291 -13.109 -1.754 1.00 0.00 C ATOM 1367 CD ARG A 94 -6.706 -13.154 -3.216 1.00 0.00 C ATOM 1368 NE ARG A 94 -7.606 -14.271 -3.496 1.00 0.00 N ATOM 1369 CZ ARG A 94 -8.908 -14.260 -3.219 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -9.467 -13.196 -2.656 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -9.654 -15.319 -3.505 1.00 0.00 N ATOM 0 H ARG A 94 -4.120 -10.981 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.042 -10.688 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.216 -11.750 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.619 -11.550 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.233 -13.355 -1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.841 -13.866 -1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.196 -12.218 -3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.818 -13.238 -3.842 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.214 -15.107 -3.929 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.898 -12.379 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.465 -13.195 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.230 -16.140 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.652 -15.312 -3.293 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.467 -9.098 -0.080 1.00 0.00 N ATOM 1386 CA HIS A 95 -6.967 -7.861 0.509 1.00 0.00 C ATOM 1387 C HIS A 95 -5.943 -6.740 0.368 1.00 0.00 C ATOM 1388 O HIS A 95 -4.767 -6.915 0.689 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.306 -8.076 1.986 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.477 -7.270 2.453 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.338 -7.697 3.443 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -8.930 -6.055 2.063 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.270 -6.780 3.639 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.045 -5.775 2.815 1.00 0.00 N ATOM 0 H HIS A 95 -6.197 -9.809 0.599 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.872 -7.572 -0.026 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.513 -9.133 2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.436 -7.822 2.591 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.267 -8.582 3.945 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.496 -5.423 1.302 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.078 -6.843 4.353 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.396 -5.589 -0.115 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.519 -4.438 -0.299 1.00 0.00 C ATOM 1405 C LEU A 96 -6.164 -3.168 0.247 1.00 0.00 C ATOM 1406 O LEU A 96 -7.201 -2.725 -0.246 1.00 0.00 O ATOM 1407 CB LEU A 96 -5.184 -4.258 -1.781 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.536 -5.471 -2.450 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.348 -5.222 -3.938 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.204 -5.794 -1.789 1.00 0.00 C ATOM 0 H LEU A 96 -7.366 -5.428 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.599 -4.622 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.100 -4.013 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.515 -3.404 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.198 -6.328 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.886 -6.096 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.317 -5.038 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.706 -4.353 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.756 -6.660 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.535 -4.939 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.366 -6.015 -0.734 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.543 -2.587 1.268 1.00 0.00 N ATOM 1423 CA ILE A 97 -6.056 -1.368 1.881 1.00 0.00 C ATOM 1424 C ILE A 97 -5.017 -0.252 1.836 1.00 0.00 C ATOM 1425 O ILE A 97 -4.176 -0.138 2.729 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.473 -1.608 3.345 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.365 -2.845 3.450 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.187 -0.383 3.901 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -7.473 -3.396 4.855 1.00 0.00 C ATOM 0 H ILE A 97 -4.684 -2.941 1.688 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.932 -1.069 1.306 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.575 -1.781 3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.363 -2.595 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.974 -3.622 2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.475 -0.568 4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.519 0.478 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.078 -0.180 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.121 -4.272 4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.483 -3.678 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.893 -2.635 5.513 1.00 0.00 H new ATOM 1441 N LEU A 98 -5.081 0.568 0.793 1.00 0.00 N ATOM 1442 CA LEU A 98 -4.146 1.674 0.632 1.00 0.00 C ATOM 1443 C LEU A 98 -4.610 2.897 1.416 1.00 0.00 C ATOM 1444 O LEU A 98 -5.808 3.151 1.538 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.992 2.030 -0.849 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.541 0.879 -1.749 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.732 0.258 -2.462 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.507 1.361 -2.756 1.00 0.00 C ATOM 0 H LEU A 98 -5.771 0.487 0.046 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.179 1.359 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.946 2.406 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.273 2.844 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.080 0.115 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.390 -0.559 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.437 -0.126 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.223 1.013 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.198 0.528 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.941 2.145 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.640 1.756 -2.226 1.00 0.00 H new ATOM 1460 N THR A 99 -3.652 3.653 1.945 1.00 0.00 N ATOM 1461 CA THR A 99 -3.962 4.850 2.718 1.00 0.00 C ATOM 1462 C THR A 99 -3.329 6.085 2.083 1.00 0.00 C ATOM 1463 O THR A 99 -2.253 6.522 2.492 1.00 0.00 O ATOM 1464 CB THR A 99 -3.473 4.695 4.158 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.643 3.361 4.604 1.00 0.00 O ATOM 1466 CG2 THR A 99 -4.191 5.600 5.135 1.00 0.00 C ATOM 0 H THR A 99 -2.655 3.457 1.852 1.00 0.00 H new ATOM 0 HA THR A 99 -5.044 4.979 2.723 1.00 0.00 H new ATOM 0 HB THR A 99 -2.419 4.974 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.506 3.320 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.796 5.439 6.138 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.038 6.640 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.257 5.373 5.125 1.00 0.00 H new ATOM 1474 N VAL A 100 -4.003 6.643 1.084 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.507 7.827 0.394 1.00 0.00 C ATOM 1476 C VAL A 100 -4.012 9.103 1.059 1.00 0.00 C ATOM 1477 O VAL A 100 -4.960 9.073 1.843 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.929 7.834 -1.087 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -3.201 6.743 -1.856 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.437 7.670 -1.214 1.00 0.00 C ATOM 0 H VAL A 100 -4.895 6.294 0.734 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.419 7.794 0.454 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.653 8.796 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.513 6.764 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.126 6.910 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.442 5.771 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.716 7.677 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.739 6.724 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.937 8.491 -0.700 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.370 10.223 0.741 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.754 11.511 1.308 1.00 0.00 C ATOM 1492 C LYS A 101 -4.012 12.534 0.206 1.00 0.00 C ATOM 1493 O LYS A 101 -3.764 12.271 -0.970 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.664 12.023 2.250 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.261 11.924 1.669 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.449 13.177 1.951 1.00 0.00 C ATOM 1497 CE LYS A 101 0.413 13.562 0.760 1.00 0.00 C ATOM 1498 NZ LYS A 101 -0.204 14.653 -0.044 1.00 0.00 N ATOM 0 H LYS A 101 -2.582 10.265 0.094 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.676 11.371 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.872 13.063 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.704 11.456 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.752 11.057 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.323 11.764 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.121 14.000 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.185 13.013 2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.395 13.880 1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.568 12.688 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.242 14.368 -1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.168 14.836 0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.367 15.518 0.048 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.510 13.702 0.596 1.00 0.00 N ATOM 1513 CA ASP A 102 -4.800 14.767 -0.359 1.00 0.00 C ATOM 1514 C ASP A 102 -3.513 15.412 -0.860 1.00 0.00 C ATOM 1515 O ASP A 102 -2.821 16.105 -0.114 1.00 0.00 O ATOM 1516 CB ASP A 102 -5.697 15.826 0.285 1.00 0.00 C ATOM 1517 CG ASP A 102 -7.171 15.525 0.097 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -7.702 14.671 0.836 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -7.795 16.145 -0.791 1.00 0.00 O ATOM 0 H ASP A 102 -4.721 13.936 1.566 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.321 14.327 -1.210 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.474 15.888 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.470 16.801 -0.145 1.00 0.00 H new