USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 752 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 100 MET CE :methyl 160:sc= -0.041 (180deg=-0.55) USER MOD Set 1.2: A 104 GLN : amide:sc= -1.52 K(o=-1.6,f=-0.32) USER MOD Set 2.1: A 57 MET CE :methyl 168:sc= -4.8! (180deg=-5!) USER MOD Set 2.2: A 95 GLN : amide:sc= -3.32! C(o=-8.1!,f=-14!) USER MOD Set 3.1: A 41 SER OG : rot 35:sc= 1.17 USER MOD Set 3.2: A 83 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0286) USER MOD Single : A 28 THR OG1 : rot 64:sc= 0.151 USER MOD Single : A 40 MET CE :methyl 163:sc= -0.146 (180deg=-1.01) USER MOD Single : A 47 THR OG1 : rot -75:sc= -0.545 USER MOD Single : A 48 TYR OH : rot 114:sc= 0.834 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 100:sc= 1.16 USER MOD Single : A 59 MET CE :methyl -113:sc= -0.504 (180deg=-2.52!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.8!) USER MOD Single : A 73 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0094) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 139:sc= -14.1! (180deg=-19.7!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : A 81 MET CE :methyl 172:sc= -3.17! (180deg=-3.51!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 75:sc= 1.39 USER MOD Single : A 93 SER OG : rot 180:sc= -0.292 USER MOD Single : A 94 GLN : amide:sc= -0.447 K(o=-0.45,f=-3.6!) USER MOD Single : A 96 CYS SG : rot 45:sc= -2.45 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -1.32 X(o=-1.3,f=-0.89) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.019) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 130.367 -5.811 -6.148 1.00 0.00 N ATOM 356 CA GLU A 19 128.967 -6.200 -6.478 1.00 0.00 C ATOM 357 C GLU A 19 127.995 -5.638 -5.437 1.00 0.00 C ATOM 358 O GLU A 19 126.822 -5.953 -5.436 1.00 0.00 O ATOM 359 CB GLU A 19 128.963 -7.729 -6.441 1.00 0.00 C ATOM 360 CG GLU A 19 130.031 -8.267 -7.395 1.00 0.00 C ATOM 361 CD GLU A 19 130.363 -9.713 -7.026 1.00 0.00 C ATOM 362 OE1 GLU A 19 129.605 -10.303 -6.274 1.00 0.00 O ATOM 363 OE2 GLU A 19 131.372 -10.208 -7.502 1.00 0.00 O ATOM 0 HA GLU A 19 128.651 -5.811 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.157 -8.079 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.982 -8.107 -6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.674 -8.216 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 19 130.928 -7.651 -7.338 1.00 0.00 H new ATOM 370 N ALA A 20 128.472 -4.808 -4.550 1.00 0.00 N ATOM 371 CA ALA A 20 127.569 -4.232 -3.513 1.00 0.00 C ATOM 372 C ALA A 20 126.397 -3.507 -4.179 1.00 0.00 C ATOM 373 O ALA A 20 125.245 -3.785 -3.905 1.00 0.00 O ATOM 374 CB ALA A 20 128.437 -3.246 -2.731 1.00 0.00 C ATOM 0 H ALA A 20 129.444 -4.505 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 20 127.142 -4.998 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.841 -2.779 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.276 -3.777 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.813 -2.478 -3.406 1.00 0.00 H new ATOM 380 N GLU A 21 126.677 -2.580 -5.055 1.00 0.00 N ATOM 381 CA GLU A 21 125.574 -1.844 -5.736 1.00 0.00 C ATOM 382 C GLU A 21 124.480 -2.824 -6.168 1.00 0.00 C ATOM 383 O GLU A 21 123.325 -2.468 -6.292 1.00 0.00 O ATOM 384 CB GLU A 21 126.224 -1.195 -6.958 1.00 0.00 C ATOM 385 CG GLU A 21 126.968 -2.258 -7.768 1.00 0.00 C ATOM 386 CD GLU A 21 128.055 -1.588 -8.610 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.715 -1.003 -9.625 1.00 0.00 O ATOM 388 OE2 GLU A 21 129.210 -1.673 -8.228 1.00 0.00 O ATOM 0 H GLU A 21 127.619 -2.301 -5.328 1.00 0.00 H new ATOM 0 HA GLU A 21 125.105 -1.106 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.464 -0.718 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.915 -0.413 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.413 -2.995 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.271 -2.793 -8.413 1.00 0.00 H new ATOM 395 N ILE A 22 124.837 -4.060 -6.394 1.00 0.00 N ATOM 396 CA ILE A 22 123.820 -5.066 -6.813 1.00 0.00 C ATOM 397 C ILE A 22 123.002 -5.522 -5.602 1.00 0.00 C ATOM 398 O ILE A 22 121.788 -5.551 -5.635 1.00 0.00 O ATOM 399 CB ILE A 22 124.631 -6.229 -7.383 1.00 0.00 C ATOM 400 CG1 ILE A 22 125.597 -5.702 -8.447 1.00 0.00 C ATOM 401 CG2 ILE A 22 123.684 -7.250 -8.018 1.00 0.00 C ATOM 402 CD1 ILE A 22 124.806 -5.250 -9.675 1.00 0.00 C ATOM 0 H ILE A 22 125.789 -4.416 -6.306 1.00 0.00 H new ATOM 0 HA ILE A 22 123.114 -4.666 -7.541 1.00 0.00 H new ATOM 0 HB ILE A 22 125.195 -6.706 -6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 22 126.176 -4.869 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 22 126.308 -6.480 -8.725 1.00 0.00 H new ATOM 0 HG21 ILE A 22 124.263 -8.079 -8.424 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.994 -7.625 -7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 22 123.120 -6.774 -8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 22 125.494 -4.875 -10.433 1.00 0.00 H new ATOM 0 HD12 ILE A 22 124.247 -6.094 -10.079 1.00 0.00 H new ATOM 0 HD13 ILE A 22 124.113 -4.459 -9.390 1.00 0.00 H new ATOM 414 N LYS A 23 123.660 -5.880 -4.533 1.00 0.00 N ATOM 415 CA LYS A 23 122.919 -6.333 -3.320 1.00 0.00 C ATOM 416 C LYS A 23 121.919 -5.260 -2.882 1.00 0.00 C ATOM 417 O LYS A 23 120.791 -5.551 -2.537 1.00 0.00 O ATOM 418 CB LYS A 23 123.994 -6.532 -2.252 1.00 0.00 C ATOM 419 CG LYS A 23 125.024 -7.550 -2.745 1.00 0.00 C ATOM 420 CD LYS A 23 125.150 -8.684 -1.725 1.00 0.00 C ATOM 421 CE LYS A 23 124.521 -9.957 -2.295 1.00 0.00 C ATOM 422 NZ LYS A 23 125.557 -11.011 -2.108 1.00 0.00 N ATOM 0 H LYS A 23 124.676 -5.879 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 23 122.349 -7.245 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.482 -5.583 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.539 -6.879 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.722 -7.949 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.990 -7.066 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 23 126.199 -8.859 -1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 23 124.655 -8.407 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 23 123.599 -10.211 -1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 23 124.266 -9.835 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 125.165 -11.935 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 126.382 -10.796 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 125.848 -11.039 -1.110 1.00 0.00 H new ATOM 436 N VAL A 24 122.324 -4.019 -2.896 1.00 0.00 N ATOM 437 CA VAL A 24 121.397 -2.927 -2.482 1.00 0.00 C ATOM 438 C VAL A 24 120.231 -2.826 -3.469 1.00 0.00 C ATOM 439 O VAL A 24 119.092 -2.655 -3.083 1.00 0.00 O ATOM 440 CB VAL A 24 122.244 -1.654 -2.519 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.354 -0.440 -2.245 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.335 -1.737 -1.449 1.00 0.00 C ATOM 0 H VAL A 24 123.256 -3.714 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 24 120.966 -3.100 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 24 122.704 -1.553 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.958 0.467 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.576 -0.380 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.893 -0.541 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.939 -0.830 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.874 -1.838 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.970 -2.602 -1.643 1.00 0.00 H new ATOM 452 N ARG A 25 120.505 -2.932 -4.740 1.00 0.00 N ATOM 453 CA ARG A 25 119.411 -2.844 -5.749 1.00 0.00 C ATOM 454 C ARG A 25 118.271 -3.791 -5.374 1.00 0.00 C ATOM 455 O ARG A 25 117.111 -3.436 -5.425 1.00 0.00 O ATOM 456 CB ARG A 25 120.053 -3.273 -7.070 1.00 0.00 C ATOM 457 CG ARG A 25 119.569 -2.355 -8.194 1.00 0.00 C ATOM 458 CD ARG A 25 120.572 -2.391 -9.349 1.00 0.00 C ATOM 459 NE ARG A 25 120.486 -1.042 -9.973 1.00 0.00 N ATOM 460 CZ ARG A 25 120.806 -0.882 -11.228 1.00 0.00 C ATOM 461 NH1 ARG A 25 121.642 -1.708 -11.798 1.00 0.00 N ATOM 462 NH2 ARG A 25 120.291 0.102 -11.913 1.00 0.00 N ATOM 0 H ARG A 25 121.439 -3.076 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 25 118.985 -1.842 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 25 121.139 -3.227 -6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.793 -4.308 -7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 25 118.586 -2.674 -8.541 1.00 0.00 H new ATOM 0 HG3 ARG A 25 119.460 -1.335 -7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 25 121.580 -2.597 -8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 25 120.322 -3.174 -10.065 1.00 0.00 H new ATOM 0 HE ARG A 25 120.177 -0.243 -9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 25 122.044 -2.477 -11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 25 121.893 -1.584 -12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 25 119.638 0.747 -11.468 1.00 0.00 H new ATOM 0 HH22 ARG A 25 120.542 0.227 -12.894 1.00 0.00 H new ATOM 476 N GLU A 26 118.596 -4.994 -4.996 1.00 0.00 N ATOM 477 CA GLU A 26 117.537 -5.971 -4.615 1.00 0.00 C ATOM 478 C GLU A 26 117.045 -5.689 -3.194 1.00 0.00 C ATOM 479 O GLU A 26 115.921 -5.991 -2.844 1.00 0.00 O ATOM 480 CB GLU A 26 118.216 -7.339 -4.687 1.00 0.00 C ATOM 481 CG GLU A 26 117.895 -7.998 -6.031 1.00 0.00 C ATOM 482 CD GLU A 26 119.022 -7.711 -7.024 1.00 0.00 C ATOM 483 OE1 GLU A 26 119.762 -6.768 -6.795 1.00 0.00 O ATOM 484 OE2 GLU A 26 119.126 -8.438 -7.998 1.00 0.00 O ATOM 0 H GLU A 26 119.552 -5.345 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 26 116.667 -5.914 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.294 -7.228 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 26 117.872 -7.971 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 26 117.776 -9.074 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 26 116.950 -7.617 -6.418 1.00 0.00 H new ATOM 491 N ALA A 27 117.876 -5.111 -2.371 1.00 0.00 N ATOM 492 CA ALA A 27 117.454 -4.810 -0.972 1.00 0.00 C ATOM 493 C ALA A 27 116.314 -3.786 -0.972 1.00 0.00 C ATOM 494 O ALA A 27 115.547 -3.698 -0.035 1.00 0.00 O ATOM 495 CB ALA A 27 118.697 -4.228 -0.300 1.00 0.00 C ATOM 0 H ALA A 27 118.829 -4.834 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 27 117.086 -5.695 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.468 -3.980 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.503 -4.962 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.008 -3.327 -0.829 1.00 0.00 H new ATOM 501 N THR A 28 116.198 -3.013 -2.018 1.00 0.00 N ATOM 502 CA THR A 28 115.107 -1.996 -2.077 1.00 0.00 C ATOM 503 C THR A 28 114.184 -2.280 -3.265 1.00 0.00 C ATOM 504 O THR A 28 114.148 -1.539 -4.227 1.00 0.00 O ATOM 505 CB THR A 28 115.823 -0.657 -2.262 1.00 0.00 C ATOM 506 OG1 THR A 28 116.737 -0.757 -3.345 1.00 0.00 O ATOM 507 CG2 THR A 28 116.579 -0.298 -0.983 1.00 0.00 C ATOM 0 H THR A 28 116.810 -3.041 -2.833 1.00 0.00 H new ATOM 0 HA THR A 28 114.485 -2.005 -1.182 1.00 0.00 H new ATOM 0 HB THR A 28 115.090 0.121 -2.476 1.00 0.00 H new ATOM 0 HG1 THR A 28 116.243 -0.917 -4.176 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.088 0.656 -1.117 1.00 0.00 H new ATOM 0 HG22 THR A 28 115.875 -0.220 -0.154 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.313 -1.074 -0.764 1.00 0.00 H new ATOM 644 N LEU A 39 120.263 -10.501 2.940 1.00 0.00 N ATOM 645 CA LEU A 39 120.856 -9.570 1.938 1.00 0.00 C ATOM 646 C LEU A 39 121.365 -8.304 2.632 1.00 0.00 C ATOM 647 O LEU A 39 122.295 -7.666 2.179 1.00 0.00 O ATOM 648 CB LEU A 39 119.713 -9.234 0.981 1.00 0.00 C ATOM 649 CG LEU A 39 120.176 -8.167 -0.010 1.00 0.00 C ATOM 650 CD1 LEU A 39 120.476 -8.820 -1.361 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.072 -7.121 -0.185 1.00 0.00 C ATOM 0 HA LEU A 39 121.705 -10.011 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.397 -10.130 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 39 118.849 -8.875 1.541 1.00 0.00 H new ATOM 0 HG LEU A 39 121.078 -7.686 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 39 120.806 -8.059 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 39 121.261 -9.566 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 39 119.575 -9.301 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.401 -6.359 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.171 -7.603 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 39 118.857 -6.655 0.777 1.00 0.00 H new ATOM 663 N MET A 40 120.762 -7.934 3.729 1.00 0.00 N ATOM 664 CA MET A 40 121.213 -6.708 4.449 1.00 0.00 C ATOM 665 C MET A 40 122.582 -6.947 5.091 1.00 0.00 C ATOM 666 O MET A 40 123.461 -6.111 5.031 1.00 0.00 O ATOM 667 CB MET A 40 120.152 -6.467 5.524 1.00 0.00 C ATOM 668 CG MET A 40 118.945 -5.762 4.902 1.00 0.00 C ATOM 669 SD MET A 40 118.157 -4.707 6.143 1.00 0.00 S ATOM 670 CE MET A 40 116.564 -5.565 6.192 1.00 0.00 C ATOM 0 H MET A 40 119.978 -8.426 4.157 1.00 0.00 H new ATOM 0 HA MET A 40 121.319 -5.852 3.782 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.845 -7.415 5.966 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.566 -5.860 6.329 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.261 -5.163 4.048 1.00 0.00 H new ATOM 0 HG3 MET A 40 118.233 -6.498 4.530 1.00 0.00 H new ATOM 0 HE1 MET A 40 116.025 -5.280 7.096 1.00 0.00 H new ATOM 0 HE2 MET A 40 115.976 -5.290 5.317 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.731 -6.642 6.193 1.00 0.00 H new ATOM 680 N SER A 41 122.769 -8.085 5.704 1.00 0.00 N ATOM 681 CA SER A 41 124.083 -8.378 6.350 1.00 0.00 C ATOM 682 C SER A 41 125.200 -8.359 5.304 1.00 0.00 C ATOM 683 O SER A 41 126.309 -7.941 5.574 1.00 0.00 O ATOM 684 CB SER A 41 123.928 -9.776 6.945 1.00 0.00 C ATOM 685 OG SER A 41 124.372 -9.764 8.296 1.00 0.00 O ATOM 0 H SER A 41 122.071 -8.824 5.786 1.00 0.00 H new ATOM 0 HA SER A 41 124.346 -7.640 7.108 1.00 0.00 H new ATOM 0 HB2 SER A 41 122.886 -10.091 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.507 -10.496 6.366 1.00 0.00 H new ATOM 0 HG SER A 41 124.150 -8.902 8.706 1.00 0.00 H new ATOM 691 N GLU A 42 124.917 -8.808 4.112 1.00 0.00 N ATOM 692 CA GLU A 42 125.963 -8.814 3.051 1.00 0.00 C ATOM 693 C GLU A 42 126.216 -7.389 2.553 1.00 0.00 C ATOM 694 O GLU A 42 127.339 -6.999 2.299 1.00 0.00 O ATOM 695 CB GLU A 42 125.387 -9.680 1.932 1.00 0.00 C ATOM 696 CG GLU A 42 125.451 -11.152 2.340 1.00 0.00 C ATOM 697 CD GLU A 42 124.887 -12.021 1.215 1.00 0.00 C ATOM 698 OE1 GLU A 42 124.062 -11.522 0.465 1.00 0.00 O ATOM 699 OE2 GLU A 42 125.288 -13.169 1.119 1.00 0.00 O ATOM 0 H GLU A 42 124.007 -9.171 3.827 1.00 0.00 H new ATOM 0 HA GLU A 42 126.917 -9.198 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.355 -9.392 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.948 -9.523 1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.482 -11.437 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.882 -11.311 3.256 1.00 0.00 H new ATOM 706 N ILE A 43 125.180 -6.607 2.414 1.00 0.00 N ATOM 707 CA ILE A 43 125.364 -5.208 1.936 1.00 0.00 C ATOM 708 C ILE A 43 126.171 -4.408 2.960 1.00 0.00 C ATOM 709 O ILE A 43 126.943 -3.536 2.613 1.00 0.00 O ATOM 710 CB ILE A 43 123.949 -4.648 1.798 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.273 -5.284 0.582 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.016 -3.132 1.609 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.781 -4.949 0.590 1.00 0.00 C ATOM 0 H ILE A 43 124.216 -6.876 2.611 1.00 0.00 H new ATOM 0 HA ILE A 43 125.910 -5.156 0.994 1.00 0.00 H new ATOM 0 HB ILE A 43 123.376 -4.875 2.697 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.733 -4.917 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.413 -6.365 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.007 -2.733 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.503 -2.679 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.586 -2.902 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.301 -5.403 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.326 -5.337 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.651 -3.867 0.552 1.00 0.00 H new ATOM 725 N ALA A 44 126.011 -4.707 4.219 1.00 0.00 N ATOM 726 CA ALA A 44 126.785 -3.973 5.258 1.00 0.00 C ATOM 727 C ALA A 44 128.237 -4.463 5.236 1.00 0.00 C ATOM 728 O ALA A 44 129.172 -3.683 5.184 1.00 0.00 O ATOM 729 CB ALA A 44 126.101 -4.322 6.580 1.00 0.00 C ATOM 0 H ALA A 44 125.380 -5.426 4.573 1.00 0.00 H new ATOM 0 HA ALA A 44 126.805 -2.895 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.614 -3.818 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.061 -3.997 6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.140 -5.400 6.736 1.00 0.00 H new ATOM 735 N ASP A 45 128.435 -5.753 5.241 1.00 0.00 N ATOM 736 CA ASP A 45 129.826 -6.274 5.182 1.00 0.00 C ATOM 737 C ASP A 45 130.527 -5.631 3.987 1.00 0.00 C ATOM 738 O ASP A 45 131.737 -5.532 3.934 1.00 0.00 O ATOM 739 CB ASP A 45 129.682 -7.784 4.978 1.00 0.00 C ATOM 740 CG ASP A 45 129.774 -8.494 6.330 1.00 0.00 C ATOM 741 OD1 ASP A 45 130.328 -7.911 7.247 1.00 0.00 O ATOM 742 OD2 ASP A 45 129.289 -9.609 6.425 1.00 0.00 O ATOM 0 H ASP A 45 127.701 -6.460 5.283 1.00 0.00 H new ATOM 0 HA ASP A 45 130.409 -6.054 6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.727 -8.008 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 45 130.463 -8.147 4.311 1.00 0.00 H new ATOM 747 N LEU A 46 129.756 -5.183 3.031 1.00 0.00 N ATOM 748 CA LEU A 46 130.345 -4.529 1.832 1.00 0.00 C ATOM 749 C LEU A 46 130.767 -3.101 2.172 1.00 0.00 C ATOM 750 O LEU A 46 131.801 -2.632 1.743 1.00 0.00 O ATOM 751 CB LEU A 46 129.225 -4.527 0.791 1.00 0.00 C ATOM 752 CG LEU A 46 129.284 -5.819 -0.022 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.944 -6.041 -0.726 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.395 -5.712 -1.067 1.00 0.00 C ATOM 0 H LEU A 46 128.738 -5.244 3.032 1.00 0.00 H new ATOM 0 HA LEU A 46 131.233 -5.046 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.257 -4.438 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.328 -3.665 0.132 1.00 0.00 H new ATOM 0 HG LEU A 46 129.488 -6.658 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.986 -6.963 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.150 -6.116 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.739 -5.202 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.438 -6.633 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.189 -4.873 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.351 -5.553 -0.567 1.00 0.00 H new ATOM 766 N THR A 47 129.982 -2.405 2.948 1.00 0.00 N ATOM 767 CA THR A 47 130.363 -1.010 3.310 1.00 0.00 C ATOM 768 C THR A 47 131.815 -0.997 3.783 1.00 0.00 C ATOM 769 O THR A 47 132.590 -0.134 3.422 1.00 0.00 O ATOM 770 CB THR A 47 129.429 -0.596 4.451 1.00 0.00 C ATOM 771 OG1 THR A 47 129.625 -1.457 5.562 1.00 0.00 O ATOM 772 CG2 THR A 47 127.975 -0.673 3.986 1.00 0.00 C ATOM 0 H THR A 47 129.102 -2.737 3.344 1.00 0.00 H new ATOM 0 HA THR A 47 130.274 -0.327 2.465 1.00 0.00 H new ATOM 0 HB THR A 47 129.654 0.429 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.203 -2.323 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.316 -0.377 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.828 -0.002 3.139 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.743 -1.694 3.684 1.00 0.00 H new ATOM 780 N TYR A 48 132.196 -1.957 4.582 1.00 0.00 N ATOM 781 CA TYR A 48 133.609 -1.995 5.060 1.00 0.00 C ATOM 782 C TYR A 48 134.545 -1.732 3.882 1.00 0.00 C ATOM 783 O TYR A 48 135.450 -0.924 3.958 1.00 0.00 O ATOM 784 CB TYR A 48 133.813 -3.411 5.599 1.00 0.00 C ATOM 785 CG TYR A 48 133.071 -3.560 6.903 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.653 -3.112 8.094 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.803 -4.147 6.920 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.964 -3.250 9.305 1.00 0.00 C ATOM 789 CE2 TYR A 48 131.112 -4.287 8.130 1.00 0.00 C ATOM 790 CZ TYR A 48 131.693 -3.838 9.323 1.00 0.00 C ATOM 791 OH TYR A 48 131.015 -3.975 10.517 1.00 0.00 O ATOM 0 H TYR A 48 131.597 -2.710 4.922 1.00 0.00 H new ATOM 0 HA TYR A 48 133.816 -1.244 5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.452 -4.143 4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.875 -3.606 5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.634 -2.660 8.079 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.356 -4.493 6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.412 -2.903 10.224 1.00 0.00 H new ATOM 0 HE2 TYR A 48 130.132 -4.741 8.143 1.00 0.00 H new ATOM 0 HH TYR A 48 130.217 -3.406 10.507 1.00 0.00 H new ATOM 801 N ASN A 49 134.319 -2.406 2.791 1.00 0.00 N ATOM 802 CA ASN A 49 135.179 -2.200 1.589 1.00 0.00 C ATOM 803 C ASN A 49 134.977 -0.801 1.025 1.00 0.00 C ATOM 804 O ASN A 49 134.150 -0.578 0.164 1.00 0.00 O ATOM 805 CB ASN A 49 134.725 -3.261 0.586 1.00 0.00 C ATOM 806 CG ASN A 49 135.797 -4.346 0.473 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.906 -4.081 0.053 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.513 -5.568 0.835 1.00 0.00 N ATOM 0 H ASN A 49 133.574 -3.093 2.677 1.00 0.00 H new ATOM 0 HA ASN A 49 136.240 -2.292 1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.780 -3.700 0.907 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.550 -2.805 -0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 49 136.222 -6.298 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 49 134.583 -5.792 1.188 1.00 0.00 H new ATOM 815 N VAL A 50 135.769 0.114 1.512 1.00 0.00 N ATOM 816 CA VAL A 50 135.746 1.539 1.056 1.00 0.00 C ATOM 817 C VAL A 50 134.864 1.750 -0.183 1.00 0.00 C ATOM 818 O VAL A 50 133.918 2.511 -0.156 1.00 0.00 O ATOM 819 CB VAL A 50 137.217 1.850 0.726 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.921 2.352 1.987 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.949 0.588 0.212 1.00 0.00 C ATOM 0 H VAL A 50 136.461 -0.074 2.238 1.00 0.00 H new ATOM 0 HA VAL A 50 135.323 2.192 1.820 1.00 0.00 H new ATOM 0 HB VAL A 50 137.241 2.611 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.963 2.574 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.428 3.256 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.874 1.585 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.986 0.836 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.919 -0.187 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.458 0.225 -0.691 1.00 0.00 H new ATOM 831 N VAL A 51 135.165 1.086 -1.264 1.00 0.00 N ATOM 832 CA VAL A 51 134.342 1.258 -2.497 1.00 0.00 C ATOM 833 C VAL A 51 132.922 0.756 -2.263 1.00 0.00 C ATOM 834 O VAL A 51 131.964 1.501 -2.328 1.00 0.00 O ATOM 835 CB VAL A 51 135.027 0.386 -3.559 1.00 0.00 C ATOM 836 CG1 VAL A 51 134.009 -0.048 -4.632 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.151 1.186 -4.220 1.00 0.00 C ATOM 0 H VAL A 51 135.944 0.432 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 51 134.274 2.304 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 51 135.436 -0.503 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.508 -0.666 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.209 -0.621 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.589 0.835 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.640 0.571 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.735 2.076 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.880 1.482 -3.465 1.00 0.00 H new ATOM 847 N ALA A 52 132.795 -0.519 -2.040 1.00 0.00 N ATOM 848 CA ALA A 52 131.454 -1.124 -1.851 1.00 0.00 C ATOM 849 C ALA A 52 130.523 -0.178 -1.086 1.00 0.00 C ATOM 850 O ALA A 52 129.373 -0.010 -1.436 1.00 0.00 O ATOM 851 CB ALA A 52 131.709 -2.395 -1.044 1.00 0.00 C ATOM 0 H ALA A 52 133.574 -1.175 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 52 130.964 -1.328 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.763 -2.905 -0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.374 -3.054 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.172 -2.135 -0.092 1.00 0.00 H new ATOM 857 N PHE A 53 131.011 0.441 -0.048 1.00 0.00 N ATOM 858 CA PHE A 53 130.156 1.374 0.736 1.00 0.00 C ATOM 859 C PHE A 53 129.636 2.504 -0.159 1.00 0.00 C ATOM 860 O PHE A 53 128.446 2.708 -0.289 1.00 0.00 O ATOM 861 CB PHE A 53 131.083 1.931 1.817 1.00 0.00 C ATOM 862 CG PHE A 53 130.468 3.169 2.413 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.142 3.143 2.850 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.222 4.339 2.521 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.565 4.293 3.397 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.648 5.492 3.070 1.00 0.00 C ATOM 867 CZ PHE A 53 129.319 5.469 3.509 1.00 0.00 C ATOM 0 H PHE A 53 131.967 0.341 0.292 1.00 0.00 H new ATOM 0 HA PHE A 53 129.280 0.880 1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.246 1.183 2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.058 2.165 1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.563 2.235 2.766 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.247 4.355 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.539 4.275 3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.230 6.398 3.155 1.00 0.00 H new ATOM 0 HZ PHE A 53 128.875 6.357 3.934 1.00 0.00 H new ATOM 877 N SER A 54 130.520 3.246 -0.766 1.00 0.00 N ATOM 878 CA SER A 54 130.077 4.368 -1.644 1.00 0.00 C ATOM 879 C SER A 54 129.043 3.875 -2.663 1.00 0.00 C ATOM 880 O SER A 54 128.117 4.580 -3.011 1.00 0.00 O ATOM 881 CB SER A 54 131.345 4.836 -2.355 1.00 0.00 C ATOM 882 OG SER A 54 131.202 6.203 -2.719 1.00 0.00 O ATOM 0 H SER A 54 131.530 3.125 -0.693 1.00 0.00 H new ATOM 0 HA SER A 54 129.604 5.170 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 54 132.209 4.710 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.524 4.228 -3.242 1.00 0.00 H new ATOM 0 HG SER A 54 132.015 6.507 -3.174 1.00 0.00 H new ATOM 888 N GLU A 55 129.198 2.673 -3.145 1.00 0.00 N ATOM 889 CA GLU A 55 128.228 2.138 -4.146 1.00 0.00 C ATOM 890 C GLU A 55 126.911 1.755 -3.462 1.00 0.00 C ATOM 891 O GLU A 55 125.854 1.795 -4.059 1.00 0.00 O ATOM 892 CB GLU A 55 128.910 0.899 -4.730 1.00 0.00 C ATOM 893 CG GLU A 55 130.338 1.252 -5.155 1.00 0.00 C ATOM 894 CD GLU A 55 130.432 1.243 -6.682 1.00 0.00 C ATOM 895 OE1 GLU A 55 130.523 0.164 -7.243 1.00 0.00 O ATOM 896 OE2 GLU A 55 130.414 2.314 -7.263 1.00 0.00 O ATOM 0 H GLU A 55 129.954 2.037 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 55 127.981 2.871 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.927 0.098 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.345 0.530 -5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.612 2.234 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 55 131.042 0.536 -4.732 1.00 0.00 H new ATOM 903 N ILE A 56 126.970 1.381 -2.213 1.00 0.00 N ATOM 904 CA ILE A 56 125.727 0.990 -1.489 1.00 0.00 C ATOM 905 C ILE A 56 124.878 2.226 -1.176 1.00 0.00 C ATOM 906 O ILE A 56 123.825 2.427 -1.747 1.00 0.00 O ATOM 907 CB ILE A 56 126.220 0.330 -0.202 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.860 -1.018 -0.542 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.045 0.109 0.751 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.935 -1.351 0.494 1.00 0.00 C ATOM 0 H ILE A 56 127.827 1.329 -1.662 1.00 0.00 H new ATOM 0 HA ILE A 56 125.096 0.323 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 56 126.954 0.977 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 56 126.100 -1.799 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.300 -0.982 -1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.403 -0.362 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.586 1.068 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.307 -0.537 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.390 -2.311 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.700 -0.575 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.482 -1.405 1.484 1.00 0.00 H new ATOM 922 N MET A 57 125.328 3.060 -0.278 1.00 0.00 N ATOM 923 CA MET A 57 124.544 4.283 0.065 1.00 0.00 C ATOM 924 C MET A 57 124.069 4.976 -1.213 1.00 0.00 C ATOM 925 O MET A 57 122.987 5.520 -1.266 1.00 0.00 O ATOM 926 CB MET A 57 125.521 5.178 0.825 1.00 0.00 C ATOM 927 CG MET A 57 125.616 4.715 2.281 1.00 0.00 C ATOM 928 SD MET A 57 123.984 4.823 3.057 1.00 0.00 S ATOM 929 CE MET A 57 124.055 6.579 3.489 1.00 0.00 C ATOM 0 H MET A 57 126.204 2.948 0.233 1.00 0.00 H new ATOM 0 HA MET A 57 123.656 4.055 0.655 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.504 5.140 0.356 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.187 6.215 0.784 1.00 0.00 H new ATOM 0 HG2 MET A 57 125.984 3.690 2.324 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.330 5.333 2.824 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.065 6.920 3.791 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.755 6.723 4.312 1.00 0.00 H new ATOM 0 HE3 MET A 57 124.388 7.153 2.624 1.00 0.00 H new ATOM 939 N SER A 58 124.873 4.963 -2.241 1.00 0.00 N ATOM 940 CA SER A 58 124.463 5.626 -3.514 1.00 0.00 C ATOM 941 C SER A 58 123.103 5.095 -3.972 1.00 0.00 C ATOM 942 O SER A 58 122.134 5.823 -4.035 1.00 0.00 O ATOM 943 CB SER A 58 125.550 5.261 -4.525 1.00 0.00 C ATOM 944 OG SER A 58 126.664 6.126 -4.350 1.00 0.00 O ATOM 0 H SER A 58 125.793 4.524 -2.256 1.00 0.00 H new ATOM 0 HA SER A 58 124.361 6.705 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 58 125.856 4.224 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.163 5.349 -5.540 1.00 0.00 H new ATOM 0 HG SER A 58 127.355 5.668 -3.827 1.00 0.00 H new ATOM 950 N MET A 59 123.018 3.831 -4.289 1.00 0.00 N ATOM 951 CA MET A 59 121.711 3.269 -4.734 1.00 0.00 C ATOM 952 C MET A 59 120.655 3.516 -3.654 1.00 0.00 C ATOM 953 O MET A 59 119.484 3.693 -3.935 1.00 0.00 O ATOM 954 CB MET A 59 121.960 1.770 -4.912 1.00 0.00 C ATOM 955 CG MET A 59 122.284 1.476 -6.377 1.00 0.00 C ATOM 956 SD MET A 59 123.708 2.467 -6.893 1.00 0.00 S ATOM 957 CE MET A 59 122.810 3.613 -7.968 1.00 0.00 C ATOM 0 H MET A 59 123.792 3.167 -4.259 1.00 0.00 H new ATOM 0 HA MET A 59 121.349 3.727 -5.654 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.784 1.450 -4.275 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.080 1.205 -4.603 1.00 0.00 H new ATOM 0 HG2 MET A 59 122.500 0.415 -6.507 1.00 0.00 H new ATOM 0 HG3 MET A 59 121.422 1.705 -7.004 1.00 0.00 H new ATOM 0 HE1 MET A 59 123.111 3.452 -9.003 1.00 0.00 H new ATOM 0 HE2 MET A 59 121.738 3.439 -7.871 1.00 0.00 H new ATOM 0 HE3 MET A 59 123.039 4.639 -7.679 1.00 0.00 H new ATOM 967 N ILE A 60 121.069 3.534 -2.416 1.00 0.00 N ATOM 968 CA ILE A 60 120.109 3.775 -1.302 1.00 0.00 C ATOM 969 C ILE A 60 119.500 5.178 -1.433 1.00 0.00 C ATOM 970 O ILE A 60 118.352 5.400 -1.100 1.00 0.00 O ATOM 971 CB ILE A 60 120.964 3.635 -0.030 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.836 2.208 0.507 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.505 4.623 1.049 1.00 0.00 C ATOM 974 CD1 ILE A 60 122.158 1.781 1.151 1.00 0.00 C ATOM 0 H ILE A 60 122.037 3.391 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 60 119.268 3.082 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 60 122.002 3.853 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.030 2.155 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.577 1.526 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.125 4.505 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.600 5.642 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.464 4.426 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 60 122.065 0.764 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.954 1.818 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.398 2.457 1.972 1.00 0.00 H new ATOM 986 N TRP A 61 120.259 6.124 -1.913 1.00 0.00 N ATOM 987 CA TRP A 61 119.724 7.507 -2.064 1.00 0.00 C ATOM 988 C TRP A 61 118.839 7.598 -3.310 1.00 0.00 C ATOM 989 O TRP A 61 117.915 8.384 -3.372 1.00 0.00 O ATOM 990 CB TRP A 61 120.958 8.396 -2.218 1.00 0.00 C ATOM 991 CG TRP A 61 121.735 8.400 -0.941 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.048 8.090 -0.829 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.274 8.721 0.403 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.422 8.202 0.498 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.364 8.587 1.297 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.030 9.112 0.928 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.222 8.833 2.664 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.884 9.359 2.303 1.00 0.00 C ATOM 999 CH2 TRP A 61 120.978 9.219 3.168 1.00 0.00 C ATOM 0 H TRP A 61 121.228 5.999 -2.208 1.00 0.00 H new ATOM 0 HA TRP A 61 119.110 7.807 -1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.582 8.031 -3.034 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.657 9.411 -2.476 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.697 7.802 -1.643 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.365 8.022 0.844 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.181 9.223 0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.068 8.726 3.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.924 9.658 2.696 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.859 9.410 4.224 1.00 0.00 H new ATOM 1010 N LYS A 62 119.116 6.798 -4.305 1.00 0.00 N ATOM 1011 CA LYS A 62 118.293 6.839 -5.547 1.00 0.00 C ATOM 1012 C LYS A 62 116.824 6.562 -5.217 1.00 0.00 C ATOM 1013 O LYS A 62 115.956 7.369 -5.482 1.00 0.00 O ATOM 1014 CB LYS A 62 118.860 5.730 -6.435 1.00 0.00 C ATOM 1015 CG LYS A 62 119.296 6.324 -7.776 1.00 0.00 C ATOM 1016 CD LYS A 62 120.820 6.460 -7.803 1.00 0.00 C ATOM 1017 CE LYS A 62 121.203 7.941 -7.756 1.00 0.00 C ATOM 1018 NZ LYS A 62 122.650 7.975 -8.103 1.00 0.00 N ATOM 0 H LYS A 62 119.877 6.118 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 62 118.331 7.813 -6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.708 5.253 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.108 4.957 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 62 118.963 5.685 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 62 118.831 7.299 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.257 5.934 -6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.221 5.999 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 62 120.613 8.524 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.024 8.364 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.987 8.959 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.187 7.417 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.789 7.572 -9.052 1.00 0.00 H new ATOM 1032 N ARG A 63 116.540 5.426 -4.639 1.00 0.00 N ATOM 1033 CA ARG A 63 115.126 5.101 -4.293 1.00 0.00 C ATOM 1034 C ARG A 63 114.654 5.976 -3.127 1.00 0.00 C ATOM 1035 O ARG A 63 113.475 6.086 -2.858 1.00 0.00 O ATOM 1036 CB ARG A 63 115.148 3.628 -3.883 1.00 0.00 C ATOM 1037 CG ARG A 63 115.910 2.818 -4.934 1.00 0.00 C ATOM 1038 CD ARG A 63 114.991 1.741 -5.515 1.00 0.00 C ATOM 1039 NE ARG A 63 115.580 1.410 -6.841 1.00 0.00 N ATOM 1040 CZ ARG A 63 114.811 1.308 -7.889 1.00 0.00 C ATOM 1041 NH1 ARG A 63 113.882 2.198 -8.105 1.00 0.00 N ATOM 1042 NH2 ARG A 63 114.969 0.315 -8.721 1.00 0.00 N ATOM 0 H ARG A 63 117.224 4.711 -4.392 1.00 0.00 H new ATOM 0 HA ARG A 63 114.444 5.283 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 63 115.623 3.518 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 63 114.130 3.251 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 63 116.265 3.475 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 63 116.790 2.357 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 63 114.953 0.864 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 63 113.969 2.106 -5.617 1.00 0.00 H new ATOM 0 HE ARG A 63 116.585 1.263 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 63 113.757 2.973 -7.454 1.00 0.00 H new ATOM 0 HH12 ARG A 63 113.280 2.118 -8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 63 115.694 -0.382 -8.552 1.00 0.00 H new ATOM 0 HH22 ARG A 63 114.367 0.236 -9.541 1.00 0.00 H new ATOM 1056 N LEU A 64 115.568 6.594 -2.434 1.00 0.00 N ATOM 1057 CA LEU A 64 115.182 7.461 -1.284 1.00 0.00 C ATOM 1058 C LEU A 64 114.728 8.836 -1.776 1.00 0.00 C ATOM 1059 O LEU A 64 114.242 9.648 -1.014 1.00 0.00 O ATOM 1060 CB LEU A 64 116.450 7.592 -0.445 1.00 0.00 C ATOM 1061 CG LEU A 64 116.529 6.429 0.547 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.816 6.540 1.367 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.320 6.474 1.485 1.00 0.00 C ATOM 0 H LEU A 64 116.570 6.537 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 64 114.353 7.039 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.328 7.593 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.448 8.541 0.091 1.00 0.00 H new ATOM 0 HG LEU A 64 116.529 5.486 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.870 5.711 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.677 6.505 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.819 7.483 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.376 5.646 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.318 7.417 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.403 6.391 0.901 1.00 0.00 H new ATOM 1075 N ASN A 65 114.895 9.110 -3.039 1.00 0.00 N ATOM 1076 CA ASN A 65 114.486 10.440 -3.575 1.00 0.00 C ATOM 1077 C ASN A 65 112.985 10.477 -3.881 1.00 0.00 C ATOM 1078 O ASN A 65 112.529 11.235 -4.714 1.00 0.00 O ATOM 1079 CB ASN A 65 115.301 10.621 -4.855 1.00 0.00 C ATOM 1080 CG ASN A 65 116.450 11.596 -4.597 1.00 0.00 C ATOM 1081 OD1 ASN A 65 116.398 12.384 -3.674 1.00 0.00 O ATOM 1082 ND2 ASN A 65 117.494 11.578 -5.380 1.00 0.00 N ATOM 0 H ASN A 65 115.297 8.471 -3.725 1.00 0.00 H new ATOM 0 HA ASN A 65 114.669 11.237 -2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.694 9.660 -5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.663 10.998 -5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 65 118.265 12.225 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 65 117.539 10.917 -6.155 1.00 0.00 H new ATOM 1161 N TRP A 71 106.709 5.251 -3.773 1.00 0.00 N ATOM 1162 CA TRP A 71 107.229 5.513 -2.401 1.00 0.00 C ATOM 1163 C TRP A 71 107.600 4.196 -1.715 1.00 0.00 C ATOM 1164 O TRP A 71 108.431 4.159 -0.829 1.00 0.00 O ATOM 1165 CB TRP A 71 106.074 6.195 -1.664 1.00 0.00 C ATOM 1166 CG TRP A 71 104.869 5.311 -1.701 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.794 5.496 -2.504 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.595 4.113 -0.920 1.00 0.00 C ATOM 1169 NE1 TRP A 71 102.879 4.486 -2.263 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.328 3.610 -1.296 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.318 3.421 0.068 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 102.795 2.459 -0.711 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 104.786 2.264 0.659 1.00 0.00 C ATOM 1174 CH2 TRP A 71 103.527 1.784 0.270 1.00 0.00 C ATOM 0 HA TRP A 71 108.128 6.129 -2.411 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.357 6.399 -0.631 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.848 7.155 -2.128 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.671 6.299 -3.215 1.00 0.00 H new ATOM 0 HE1 TRP A 71 101.982 4.400 -2.742 1.00 0.00 H new ATOM 0 HE3 TRP A 71 106.289 3.782 0.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 101.825 2.094 -1.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 105.349 1.741 1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 71 103.123 0.893 0.728 1.00 0.00 H new ATOM 1185 N ARG A 72 106.993 3.114 -2.119 1.00 0.00 N ATOM 1186 CA ARG A 72 107.314 1.801 -1.488 1.00 0.00 C ATOM 1187 C ARG A 72 108.831 1.594 -1.439 1.00 0.00 C ATOM 1188 O ARG A 72 109.385 1.235 -0.419 1.00 0.00 O ATOM 1189 CB ARG A 72 106.658 0.755 -2.392 1.00 0.00 C ATOM 1190 CG ARG A 72 105.137 0.831 -2.235 1.00 0.00 C ATOM 1191 CD ARG A 72 104.467 -0.024 -3.313 1.00 0.00 C ATOM 1192 NE ARG A 72 103.101 0.550 -3.463 1.00 0.00 N ATOM 1193 CZ ARG A 72 102.698 0.979 -4.627 1.00 0.00 C ATOM 1194 NH1 ARG A 72 103.411 1.855 -5.282 1.00 0.00 N ATOM 1195 NH2 ARG A 72 101.581 0.534 -5.136 1.00 0.00 N ATOM 0 H ARG A 72 106.290 3.081 -2.857 1.00 0.00 H new ATOM 0 HA ARG A 72 106.952 1.737 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.937 0.930 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.013 -0.242 -2.130 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.845 0.480 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.804 1.866 -2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.019 0.020 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.425 -1.072 -3.016 1.00 0.00 H new ATOM 0 HE ARG A 72 102.481 0.608 -2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 72 104.283 2.204 -4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 72 103.096 2.191 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 72 101.023 -0.149 -4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 72 101.266 0.870 -6.046 1.00 0.00 H new ATOM 1209 N HIS A 73 109.506 1.822 -2.532 1.00 0.00 N ATOM 1210 CA HIS A 73 110.987 1.641 -2.545 1.00 0.00 C ATOM 1211 C HIS A 73 111.629 2.461 -1.423 1.00 0.00 C ATOM 1212 O HIS A 73 112.455 1.972 -0.677 1.00 0.00 O ATOM 1213 CB HIS A 73 111.435 2.158 -3.912 1.00 0.00 C ATOM 1214 CG HIS A 73 111.135 1.122 -4.960 1.00 0.00 C ATOM 1215 ND1 HIS A 73 110.849 1.461 -6.273 1.00 0.00 N ATOM 1216 CD2 HIS A 73 111.073 -0.248 -4.905 1.00 0.00 C ATOM 1217 CE1 HIS A 73 110.631 0.318 -6.948 1.00 0.00 C ATOM 1218 NE2 HIS A 73 110.754 -0.754 -6.161 1.00 0.00 N ATOM 0 H HIS A 73 109.098 2.125 -3.416 1.00 0.00 H new ATOM 0 HA HIS A 73 111.279 0.603 -2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 73 110.920 3.089 -4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.502 2.379 -3.898 1.00 0.00 H new ATOM 0 HD2 HIS A 73 111.246 -0.843 -4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 73 110.386 0.273 -7.999 1.00 0.00 H new ATOM 0 HE2 HIS A 73 110.639 -1.733 -6.424 1.00 0.00 H new ATOM 1226 N VAL A 74 111.255 3.705 -1.297 1.00 0.00 N ATOM 1227 CA VAL A 74 111.840 4.557 -0.221 1.00 0.00 C ATOM 1228 C VAL A 74 111.805 3.817 1.116 1.00 0.00 C ATOM 1229 O VAL A 74 112.794 3.729 1.816 1.00 0.00 O ATOM 1230 CB VAL A 74 110.944 5.793 -0.171 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.263 6.603 1.086 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.191 6.655 -1.411 1.00 0.00 C ATOM 0 H VAL A 74 110.569 4.169 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 74 112.882 4.813 -0.415 1.00 0.00 H new ATOM 0 HB VAL A 74 109.899 5.483 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.624 7.485 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.085 5.989 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.308 6.913 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.551 7.537 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.236 6.965 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 74 110.962 6.078 -2.307 1.00 0.00 H new ATOM 1242 N TYR A 75 110.669 3.287 1.480 1.00 0.00 N ATOM 1243 CA TYR A 75 110.569 2.554 2.774 1.00 0.00 C ATOM 1244 C TYR A 75 111.663 1.486 2.855 1.00 0.00 C ATOM 1245 O TYR A 75 112.519 1.521 3.719 1.00 0.00 O ATOM 1246 CB TYR A 75 109.182 1.909 2.757 1.00 0.00 C ATOM 1247 CG TYR A 75 108.782 1.519 4.160 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.041 2.384 5.232 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.149 0.292 4.390 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.667 2.019 6.531 1.00 0.00 C ATOM 1251 CE2 TYR A 75 107.774 -0.072 5.689 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.033 0.792 6.760 1.00 0.00 C ATOM 1253 OH TYR A 75 107.664 0.434 8.040 1.00 0.00 O ATOM 0 H TYR A 75 109.806 3.330 0.937 1.00 0.00 H new ATOM 0 HA TYR A 75 110.699 3.208 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.453 2.604 2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.188 1.030 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.529 3.331 5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 75 107.950 -0.375 3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.868 2.685 7.357 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.285 -1.019 5.865 1.00 0.00 H new ATOM 0 HH TYR A 75 107.235 -0.447 8.022 1.00 0.00 H new ATOM 1263 N LYS A 76 111.649 0.542 1.954 1.00 0.00 N ATOM 1264 CA LYS A 76 112.697 -0.517 1.979 1.00 0.00 C ATOM 1265 C LYS A 76 114.080 0.135 2.018 1.00 0.00 C ATOM 1266 O LYS A 76 115.046 -0.458 2.458 1.00 0.00 O ATOM 1267 CB LYS A 76 112.505 -1.301 0.680 1.00 0.00 C ATOM 1268 CG LYS A 76 111.156 -2.022 0.712 1.00 0.00 C ATOM 1269 CD LYS A 76 110.806 -2.508 -0.696 1.00 0.00 C ATOM 1270 CE LYS A 76 109.504 -1.850 -1.157 1.00 0.00 C ATOM 1271 NZ LYS A 76 108.420 -2.676 -0.555 1.00 0.00 N ATOM 0 H LYS A 76 110.961 0.458 1.206 1.00 0.00 H new ATOM 0 HA LYS A 76 112.619 -1.165 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.548 -0.625 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.312 -2.023 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.199 -2.866 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.381 -1.350 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 76 111.613 -2.264 -1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.699 -3.593 -0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 76 109.444 -0.815 -0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 76 109.432 -1.837 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 107.495 -2.286 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 108.498 -3.655 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 108.510 -2.665 0.481 1.00 0.00 H new ATOM 1285 N ALA A 77 114.180 1.356 1.568 1.00 0.00 N ATOM 1286 CA ALA A 77 115.497 2.053 1.585 1.00 0.00 C ATOM 1287 C ALA A 77 115.886 2.395 3.022 1.00 0.00 C ATOM 1288 O ALA A 77 117.000 2.169 3.449 1.00 0.00 O ATOM 1289 CB ALA A 77 115.282 3.330 0.772 1.00 0.00 C ATOM 0 H ALA A 77 113.406 1.901 1.189 1.00 0.00 H new ATOM 0 HA ALA A 77 116.297 1.439 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.210 3.900 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 77 114.979 3.069 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.503 3.932 1.240 1.00 0.00 H new ATOM 1295 N MET A 78 114.969 2.937 3.770 1.00 0.00 N ATOM 1296 CA MET A 78 115.274 3.296 5.184 1.00 0.00 C ATOM 1297 C MET A 78 115.843 2.082 5.920 1.00 0.00 C ATOM 1298 O MET A 78 116.732 2.201 6.739 1.00 0.00 O ATOM 1299 CB MET A 78 113.933 3.711 5.788 1.00 0.00 C ATOM 1300 CG MET A 78 113.718 5.210 5.574 1.00 0.00 C ATOM 1301 SD MET A 78 113.146 5.498 3.882 1.00 0.00 S ATOM 1302 CE MET A 78 111.525 6.183 4.300 1.00 0.00 C ATOM 0 H MET A 78 114.019 3.148 3.464 1.00 0.00 H new ATOM 0 HA MET A 78 116.015 4.092 5.259 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.123 3.147 5.325 1.00 0.00 H new ATOM 0 HB3 MET A 78 113.914 3.479 6.853 1.00 0.00 H new ATOM 0 HG2 MET A 78 112.986 5.589 6.287 1.00 0.00 H new ATOM 0 HG3 MET A 78 114.647 5.751 5.753 1.00 0.00 H new ATOM 0 HE1 MET A 78 111.307 7.027 3.645 1.00 0.00 H new ATOM 0 HE2 MET A 78 110.761 5.416 4.170 1.00 0.00 H new ATOM 0 HE3 MET A 78 111.529 6.520 5.337 1.00 0.00 H new ATOM 1312 N THR A 79 115.339 0.913 5.635 1.00 0.00 N ATOM 1313 CA THR A 79 115.857 -0.304 6.323 1.00 0.00 C ATOM 1314 C THR A 79 117.330 -0.514 5.982 1.00 0.00 C ATOM 1315 O THR A 79 118.186 -0.461 6.838 1.00 0.00 O ATOM 1316 CB THR A 79 115.005 -1.458 5.795 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.666 -1.015 5.620 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.034 -2.616 6.795 1.00 0.00 C ATOM 0 H THR A 79 114.594 0.748 4.958 1.00 0.00 H new ATOM 0 HA THR A 79 115.794 -0.224 7.408 1.00 0.00 H new ATOM 0 HB THR A 79 115.404 -1.796 4.839 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.119 -1.754 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.426 -3.438 6.417 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.061 -2.956 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 79 114.635 -2.280 7.752 1.00 0.00 H new ATOM 1326 N LEU A 80 117.634 -0.742 4.739 1.00 0.00 N ATOM 1327 CA LEU A 80 119.060 -0.938 4.356 1.00 0.00 C ATOM 1328 C LEU A 80 119.919 0.124 5.039 1.00 0.00 C ATOM 1329 O LEU A 80 120.686 -0.167 5.934 1.00 0.00 O ATOM 1330 CB LEU A 80 119.091 -0.763 2.837 1.00 0.00 C ATOM 1331 CG LEU A 80 120.540 -0.780 2.353 1.00 0.00 C ATOM 1332 CD1 LEU A 80 121.272 -1.975 2.969 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.566 -0.899 0.827 1.00 0.00 C ATOM 0 H LEU A 80 116.963 -0.801 3.973 1.00 0.00 H new ATOM 0 HA LEU A 80 119.448 -1.912 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.526 -1.562 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.614 0.177 2.558 1.00 0.00 H new ATOM 0 HG LEU A 80 121.034 0.143 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 80 122.306 -1.986 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 80 121.254 -1.892 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.778 -2.899 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.599 -0.911 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 80 120.071 -1.822 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.046 -0.048 0.387 1.00 0.00 H new ATOM 1345 N MET A 81 119.786 1.357 4.628 1.00 0.00 N ATOM 1346 CA MET A 81 120.590 2.450 5.249 1.00 0.00 C ATOM 1347 C MET A 81 120.713 2.243 6.762 1.00 0.00 C ATOM 1348 O MET A 81 121.733 2.535 7.354 1.00 0.00 O ATOM 1349 CB MET A 81 119.814 3.732 4.943 1.00 0.00 C ATOM 1350 CG MET A 81 120.337 4.867 5.826 1.00 0.00 C ATOM 1351 SD MET A 81 120.292 6.423 4.899 1.00 0.00 S ATOM 1352 CE MET A 81 118.530 6.395 4.491 1.00 0.00 C ATOM 0 H MET A 81 119.153 1.655 3.886 1.00 0.00 H new ATOM 0 HA MET A 81 121.607 2.481 4.858 1.00 0.00 H new ATOM 0 HB2 MET A 81 119.925 3.995 3.891 1.00 0.00 H new ATOM 0 HB3 MET A 81 118.750 3.578 5.123 1.00 0.00 H new ATOM 0 HG2 MET A 81 119.730 4.950 6.727 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.356 4.652 6.147 1.00 0.00 H new ATOM 0 HE1 MET A 81 118.247 7.343 4.034 1.00 0.00 H new ATOM 0 HE2 MET A 81 118.331 5.582 3.793 1.00 0.00 H new ATOM 0 HE3 MET A 81 117.948 6.243 5.400 1.00 0.00 H new ATOM 1362 N GLU A 82 119.687 1.742 7.396 1.00 0.00 N ATOM 1363 CA GLU A 82 119.767 1.523 8.871 1.00 0.00 C ATOM 1364 C GLU A 82 120.742 0.382 9.186 1.00 0.00 C ATOM 1365 O GLU A 82 121.781 0.586 9.783 1.00 0.00 O ATOM 1366 CB GLU A 82 118.347 1.150 9.296 1.00 0.00 C ATOM 1367 CG GLU A 82 118.303 0.945 10.811 1.00 0.00 C ATOM 1368 CD GLU A 82 117.939 -0.509 11.120 1.00 0.00 C ATOM 1369 OE1 GLU A 82 118.020 -1.323 10.215 1.00 0.00 O ATOM 1370 OE2 GLU A 82 117.585 -0.783 12.255 1.00 0.00 O ATOM 0 H GLU A 82 118.803 1.476 6.962 1.00 0.00 H new ATOM 0 HA GLU A 82 120.130 2.404 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.651 1.937 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 82 118.031 0.240 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 82 119.270 1.190 11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.571 1.617 11.258 1.00 0.00 H new ATOM 1377 N TYR A 83 120.412 -0.818 8.792 1.00 0.00 N ATOM 1378 CA TYR A 83 121.311 -1.977 9.068 1.00 0.00 C ATOM 1379 C TYR A 83 122.777 -1.599 8.829 1.00 0.00 C ATOM 1380 O TYR A 83 123.634 -1.858 9.650 1.00 0.00 O ATOM 1381 CB TYR A 83 120.871 -3.058 8.080 1.00 0.00 C ATOM 1382 CG TYR A 83 121.441 -4.391 8.504 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.762 -4.722 8.177 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.650 -5.295 9.223 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.291 -5.958 8.569 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.180 -6.531 9.615 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.500 -6.862 9.288 1.00 0.00 C ATOM 1388 OH TYR A 83 123.022 -8.080 9.675 1.00 0.00 O ATOM 0 H TYR A 83 119.555 -1.047 8.289 1.00 0.00 H new ATOM 0 HA TYR A 83 121.241 -2.309 10.104 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.783 -3.111 8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 83 121.212 -2.808 7.075 1.00 0.00 H new ATOM 0 HD1 TYR A 83 123.372 -4.024 7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.631 -5.040 9.475 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.309 -6.214 8.317 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.570 -7.229 10.170 1.00 0.00 H new ATOM 0 HH TYR A 83 122.342 -8.586 10.166 1.00 0.00 H new ATOM 1398 N LEU A 84 123.076 -0.997 7.709 1.00 0.00 N ATOM 1399 CA LEU A 84 124.493 -0.618 7.425 1.00 0.00 C ATOM 1400 C LEU A 84 125.012 0.340 8.501 1.00 0.00 C ATOM 1401 O LEU A 84 126.083 0.154 9.044 1.00 0.00 O ATOM 1402 CB LEU A 84 124.469 0.073 6.060 1.00 0.00 C ATOM 1403 CG LEU A 84 123.624 -0.732 5.064 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.954 -0.283 3.640 1.00 0.00 C ATOM 1405 CD2 LEU A 84 123.920 -2.233 5.203 1.00 0.00 C ATOM 0 H LEU A 84 122.405 -0.752 6.981 1.00 0.00 H new ATOM 0 HA LEU A 84 125.152 -1.486 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 84 124.061 1.079 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.486 0.178 5.681 1.00 0.00 H new ATOM 0 HG LEU A 84 122.569 -0.557 5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.355 -0.854 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 84 123.731 0.778 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 84 125.012 -0.453 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.313 -2.791 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 84 124.976 -2.416 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.682 -2.559 6.216 1.00 0.00 H new ATOM 1417 N ILE A 85 124.265 1.363 8.813 1.00 0.00 N ATOM 1418 CA ILE A 85 124.725 2.325 9.854 1.00 0.00 C ATOM 1419 C ILE A 85 125.041 1.579 11.154 1.00 0.00 C ATOM 1420 O ILE A 85 125.804 2.044 11.978 1.00 0.00 O ATOM 1421 CB ILE A 85 123.552 3.284 10.056 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.413 4.186 8.828 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.808 4.148 11.292 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.070 4.916 8.881 1.00 0.00 C ATOM 0 H ILE A 85 123.359 1.574 8.394 1.00 0.00 H new ATOM 0 HA ILE A 85 125.633 2.852 9.559 1.00 0.00 H new ATOM 0 HB ILE A 85 122.635 2.711 10.194 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.230 4.907 8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.480 3.591 7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.972 4.832 11.437 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.909 3.508 12.169 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.725 4.720 11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.971 5.559 8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.260 4.187 8.890 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.021 5.523 9.785 1.00 0.00 H new ATOM 1436 N LYS A 86 124.462 0.424 11.343 1.00 0.00 N ATOM 1437 CA LYS A 86 124.729 -0.352 12.588 1.00 0.00 C ATOM 1438 C LYS A 86 125.961 -1.244 12.400 1.00 0.00 C ATOM 1439 O LYS A 86 127.038 -0.939 12.874 1.00 0.00 O ATOM 1440 CB LYS A 86 123.479 -1.206 12.801 1.00 0.00 C ATOM 1441 CG LYS A 86 122.279 -0.299 13.078 1.00 0.00 C ATOM 1442 CD LYS A 86 121.260 -1.048 13.938 1.00 0.00 C ATOM 1443 CE LYS A 86 120.781 -0.139 15.073 1.00 0.00 C ATOM 1444 NZ LYS A 86 119.299 -0.100 14.936 1.00 0.00 N ATOM 0 H LYS A 86 123.815 -0.016 10.688 1.00 0.00 H new ATOM 0 HA LYS A 86 124.930 0.295 13.442 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.289 -1.818 11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.631 -1.890 13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 86 122.605 0.607 13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 86 121.820 0.011 12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 86 120.413 -1.361 13.327 1.00 0.00 H new ATOM 0 HD3 LYS A 86 121.709 -1.953 14.348 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.077 -0.532 16.045 1.00 0.00 H new ATOM 0 HE3 LYS A 86 121.212 0.859 14.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 118.897 0.505 15.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 119.047 0.285 14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 118.916 -1.063 15.028 1.00 0.00 H new ATOM 1458 N THR A 87 125.810 -2.343 11.713 1.00 0.00 N ATOM 1459 CA THR A 87 126.972 -3.252 11.494 1.00 0.00 C ATOM 1460 C THR A 87 127.717 -2.861 10.216 1.00 0.00 C ATOM 1461 O THR A 87 128.869 -3.198 10.028 1.00 0.00 O ATOM 1462 CB THR A 87 126.363 -4.650 11.356 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.397 -5.623 11.412 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.629 -4.758 10.018 1.00 0.00 C ATOM 0 H THR A 87 124.933 -2.651 11.294 1.00 0.00 H new ATOM 0 HA THR A 87 127.694 -3.202 12.309 1.00 0.00 H new ATOM 0 HB THR A 87 125.658 -4.822 12.169 1.00 0.00 H new ATOM 0 HG1 THR A 87 127.009 -6.519 11.325 1.00 0.00 H new ATOM 0 HG21 THR A 87 125.196 -5.753 9.920 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.836 -4.011 9.977 1.00 0.00 H new ATOM 0 HG23 THR A 87 126.332 -4.586 9.203 1.00 0.00 H new ATOM 1472 N GLY A 88 127.067 -2.152 9.335 1.00 0.00 N ATOM 1473 CA GLY A 88 127.736 -1.737 8.070 1.00 0.00 C ATOM 1474 C GLY A 88 129.151 -1.244 8.377 1.00 0.00 C ATOM 1475 O GLY A 88 130.125 -1.916 8.103 1.00 0.00 O ATOM 0 H GLY A 88 126.101 -1.842 9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.775 -2.576 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.162 -0.947 7.585 1.00 0.00 H new ATOM 1479 N SER A 89 129.274 -0.076 8.942 1.00 0.00 N ATOM 1480 CA SER A 89 130.629 0.456 9.265 1.00 0.00 C ATOM 1481 C SER A 89 130.528 1.907 9.741 1.00 0.00 C ATOM 1482 O SER A 89 129.469 2.502 9.732 1.00 0.00 O ATOM 1483 CB SER A 89 131.411 0.374 7.955 1.00 0.00 C ATOM 1484 OG SER A 89 132.557 -0.445 8.141 1.00 0.00 O ATOM 0 H SER A 89 128.496 0.534 9.194 1.00 0.00 H new ATOM 0 HA SER A 89 131.113 -0.106 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 89 130.780 -0.037 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.711 1.372 7.635 1.00 0.00 H new ATOM 0 HG SER A 89 132.284 -1.386 8.179 1.00 0.00 H new ATOM 1490 N GLU A 90 131.624 2.482 10.156 1.00 0.00 N ATOM 1491 CA GLU A 90 131.591 3.894 10.631 1.00 0.00 C ATOM 1492 C GLU A 90 131.438 4.847 9.443 1.00 0.00 C ATOM 1493 O GLU A 90 131.088 6.000 9.601 1.00 0.00 O ATOM 1494 CB GLU A 90 132.935 4.111 11.327 1.00 0.00 C ATOM 1495 CG GLU A 90 133.013 3.229 12.575 1.00 0.00 C ATOM 1496 CD GLU A 90 134.014 3.829 13.563 1.00 0.00 C ATOM 1497 OE1 GLU A 90 134.180 5.037 13.549 1.00 0.00 O ATOM 1498 OE2 GLU A 90 134.597 3.069 14.320 1.00 0.00 O ATOM 0 H GLU A 90 132.540 2.035 10.187 1.00 0.00 H new ATOM 0 HA GLU A 90 130.752 4.086 11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.752 3.870 10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 90 133.049 5.160 11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 90 132.030 3.150 13.040 1.00 0.00 H new ATOM 0 HG3 GLU A 90 133.318 2.219 12.301 1.00 0.00 H new ATOM 1505 N ARG A 91 131.696 4.375 8.255 1.00 0.00 N ATOM 1506 CA ARG A 91 131.563 5.254 7.058 1.00 0.00 C ATOM 1507 C ARG A 91 130.086 5.429 6.697 1.00 0.00 C ATOM 1508 O ARG A 91 129.665 6.479 6.254 1.00 0.00 O ATOM 1509 CB ARG A 91 132.307 4.521 5.941 1.00 0.00 C ATOM 1510 CG ARG A 91 133.708 4.139 6.424 1.00 0.00 C ATOM 1511 CD ARG A 91 134.740 4.547 5.370 1.00 0.00 C ATOM 1512 NE ARG A 91 135.200 5.901 5.789 1.00 0.00 N ATOM 1513 CZ ARG A 91 135.376 6.834 4.895 1.00 0.00 C ATOM 1514 NH1 ARG A 91 136.320 6.715 4.002 1.00 0.00 N ATOM 1515 NH2 ARG A 91 134.606 7.888 4.894 1.00 0.00 N ATOM 0 H ARG A 91 131.993 3.419 8.061 1.00 0.00 H new ATOM 0 HA ARG A 91 131.970 6.251 7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.756 3.627 5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.376 5.156 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.925 4.633 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 91 133.762 3.065 6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 91 135.570 3.841 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 91 134.299 4.570 4.373 1.00 0.00 H new ATOM 0 HE ARG A 91 135.377 6.098 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 91 136.922 5.891 4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 91 136.456 7.446 3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 91 133.868 7.981 5.592 1.00 0.00 H new ATOM 0 HH22 ARG A 91 134.742 8.619 4.195 1.00 0.00 H new ATOM 1529 N VAL A 92 129.294 4.409 6.887 1.00 0.00 N ATOM 1530 CA VAL A 92 127.845 4.519 6.556 1.00 0.00 C ATOM 1531 C VAL A 92 127.184 5.583 7.438 1.00 0.00 C ATOM 1532 O VAL A 92 126.525 6.481 6.953 1.00 0.00 O ATOM 1533 CB VAL A 92 127.265 3.135 6.846 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.743 3.178 6.696 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.844 2.121 5.855 1.00 0.00 C ATOM 0 H VAL A 92 129.588 3.505 7.257 1.00 0.00 H new ATOM 0 HA VAL A 92 127.676 4.817 5.521 1.00 0.00 H new ATOM 0 HB VAL A 92 127.523 2.840 7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.329 2.191 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.328 3.900 7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.486 3.474 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.431 1.134 6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.585 2.417 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.929 2.089 5.959 1.00 0.00 H new ATOM 1545 N SER A 93 127.358 5.493 8.728 1.00 0.00 N ATOM 1546 CA SER A 93 126.742 6.505 9.633 1.00 0.00 C ATOM 1547 C SER A 93 127.294 7.896 9.315 1.00 0.00 C ATOM 1548 O SER A 93 126.564 8.865 9.256 1.00 0.00 O ATOM 1549 CB SER A 93 127.146 6.076 11.043 1.00 0.00 C ATOM 1550 OG SER A 93 128.331 6.762 11.421 1.00 0.00 O ATOM 0 H SER A 93 127.899 4.764 9.194 1.00 0.00 H new ATOM 0 HA SER A 93 125.659 6.558 9.521 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.344 6.297 11.747 1.00 0.00 H new ATOM 0 HB3 SER A 93 127.310 4.999 11.075 1.00 0.00 H new ATOM 0 HG SER A 93 128.592 6.490 12.326 1.00 0.00 H new ATOM 1556 N GLN A 94 128.578 8.002 9.104 1.00 0.00 N ATOM 1557 CA GLN A 94 129.167 9.331 8.784 1.00 0.00 C ATOM 1558 C GLN A 94 128.423 9.957 7.606 1.00 0.00 C ATOM 1559 O GLN A 94 128.004 11.096 7.655 1.00 0.00 O ATOM 1560 CB GLN A 94 130.623 9.044 8.414 1.00 0.00 C ATOM 1561 CG GLN A 94 131.433 8.789 9.686 1.00 0.00 C ATOM 1562 CD GLN A 94 132.272 10.024 10.015 1.00 0.00 C ATOM 1563 OE1 GLN A 94 132.420 10.909 9.194 1.00 0.00 O ATOM 1564 NE2 GLN A 94 132.834 10.124 11.188 1.00 0.00 N ATOM 0 H GLN A 94 129.241 7.228 9.139 1.00 0.00 H new ATOM 0 HA GLN A 94 129.095 10.031 9.617 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.678 8.177 7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.043 9.887 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.764 8.560 10.515 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.080 7.923 9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 94 132.711 9.383 11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 94 133.397 10.944 11.416 1.00 0.00 H new ATOM 1573 N GLN A 95 128.247 9.212 6.552 1.00 0.00 N ATOM 1574 CA GLN A 95 127.519 9.755 5.371 1.00 0.00 C ATOM 1575 C GLN A 95 126.143 10.260 5.804 1.00 0.00 C ATOM 1576 O GLN A 95 125.711 11.326 5.413 1.00 0.00 O ATOM 1577 CB GLN A 95 127.383 8.573 4.413 1.00 0.00 C ATOM 1578 CG GLN A 95 126.800 9.059 3.084 1.00 0.00 C ATOM 1579 CD GLN A 95 127.446 8.290 1.933 1.00 0.00 C ATOM 1580 OE1 GLN A 95 126.888 7.330 1.439 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.610 8.671 1.481 1.00 0.00 N ATOM 0 H GLN A 95 128.575 8.251 6.456 1.00 0.00 H new ATOM 0 HA GLN A 95 128.038 10.593 4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.356 8.111 4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 95 126.737 7.810 4.849 1.00 0.00 H new ATOM 0 HG2 GLN A 95 125.720 8.912 3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.977 10.128 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 95 129.079 9.477 1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 95 129.050 8.163 0.714 1.00 0.00 H new ATOM 1590 N CYS A 96 125.455 9.506 6.617 1.00 0.00 N ATOM 1591 CA CYS A 96 124.112 9.951 7.081 1.00 0.00 C ATOM 1592 C CYS A 96 124.212 11.368 7.642 1.00 0.00 C ATOM 1593 O CYS A 96 123.384 12.216 7.374 1.00 0.00 O ATOM 1594 CB CYS A 96 123.721 8.964 8.181 1.00 0.00 C ATOM 1595 SG CYS A 96 122.177 8.134 7.728 1.00 0.00 S ATOM 0 H CYS A 96 125.764 8.604 6.979 1.00 0.00 H new ATOM 0 HA CYS A 96 123.375 9.968 6.278 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.513 8.229 8.323 1.00 0.00 H new ATOM 0 HB3 CYS A 96 123.600 9.489 9.129 1.00 0.00 H new ATOM 0 HG CYS A 96 122.227 7.776 6.479 1.00 0.00 H new ATOM 1601 N LYS A 97 125.230 11.630 8.411 1.00 0.00 N ATOM 1602 CA LYS A 97 125.397 12.996 8.985 1.00 0.00 C ATOM 1603 C LYS A 97 125.686 13.997 7.866 1.00 0.00 C ATOM 1604 O LYS A 97 125.254 15.132 7.904 1.00 0.00 O ATOM 1605 CB LYS A 97 126.592 12.886 9.933 1.00 0.00 C ATOM 1606 CG LYS A 97 126.238 11.960 11.098 1.00 0.00 C ATOM 1607 CD LYS A 97 125.909 12.799 12.335 1.00 0.00 C ATOM 1608 CE LYS A 97 127.034 12.656 13.363 1.00 0.00 C ATOM 1609 NZ LYS A 97 128.053 13.667 12.961 1.00 0.00 N ATOM 0 H LYS A 97 125.954 10.959 8.668 1.00 0.00 H new ATOM 0 HA LYS A 97 124.503 13.343 9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 97 127.459 12.499 9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 97 126.863 13.873 10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.386 11.334 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 97 127.072 11.291 11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 97 125.788 13.846 12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 97 124.963 12.473 12.768 1.00 0.00 H new ATOM 0 HE2 LYS A 97 126.671 12.842 14.374 1.00 0.00 H new ATOM 0 HE3 LYS A 97 127.452 11.649 13.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 128.857 13.630 13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 128.385 13.461 11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 127.629 14.616 12.986 1.00 0.00 H new ATOM 1623 N GLU A 98 126.409 13.579 6.864 1.00 0.00 N ATOM 1624 CA GLU A 98 126.724 14.500 5.734 1.00 0.00 C ATOM 1625 C GLU A 98 125.518 14.608 4.799 1.00 0.00 C ATOM 1626 O GLU A 98 125.467 15.450 3.924 1.00 0.00 O ATOM 1627 CB GLU A 98 127.907 13.852 5.013 1.00 0.00 C ATOM 1628 CG GLU A 98 129.033 13.595 6.014 1.00 0.00 C ATOM 1629 CD GLU A 98 130.359 13.451 5.265 1.00 0.00 C ATOM 1630 OE1 GLU A 98 130.649 12.353 4.819 1.00 0.00 O ATOM 1631 OE2 GLU A 98 131.061 14.442 5.149 1.00 0.00 O ATOM 0 H GLU A 98 126.796 12.639 6.778 1.00 0.00 H new ATOM 0 HA GLU A 98 126.959 15.509 6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.596 12.915 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.259 14.502 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 98 129.094 14.416 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 98 128.826 12.690 6.586 1.00 0.00 H new ATOM 1638 N ASN A 99 124.544 13.759 4.982 1.00 0.00 N ATOM 1639 CA ASN A 99 123.337 13.803 4.113 1.00 0.00 C ATOM 1640 C ASN A 99 122.073 13.652 4.962 1.00 0.00 C ATOM 1641 O ASN A 99 121.123 13.005 4.570 1.00 0.00 O ATOM 1642 CB ASN A 99 123.490 12.617 3.159 1.00 0.00 C ATOM 1643 CG ASN A 99 122.819 12.946 1.825 1.00 0.00 C ATOM 1644 OD1 ASN A 99 123.024 14.009 1.275 1.00 0.00 O ATOM 1645 ND2 ASN A 99 122.019 12.072 1.278 1.00 0.00 N ATOM 0 H ASN A 99 124.534 13.034 5.700 1.00 0.00 H new ATOM 0 HA ASN A 99 123.248 14.747 3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.546 12.396 3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 99 123.039 11.725 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 99 121.566 12.282 0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 99 121.847 11.179 1.740 1.00 0.00 H new ATOM 1652 N MET A 100 122.055 14.247 6.124 1.00 0.00 N ATOM 1653 CA MET A 100 120.852 14.138 6.998 1.00 0.00 C ATOM 1654 C MET A 100 119.641 14.772 6.312 1.00 0.00 C ATOM 1655 O MET A 100 118.521 14.330 6.474 1.00 0.00 O ATOM 1656 CB MET A 100 121.214 14.910 8.267 1.00 0.00 C ATOM 1657 CG MET A 100 121.385 13.932 9.431 1.00 0.00 C ATOM 1658 SD MET A 100 122.100 14.801 10.848 1.00 0.00 S ATOM 1659 CE MET A 100 120.645 15.792 11.266 1.00 0.00 C ATOM 0 H MET A 100 122.820 14.803 6.505 1.00 0.00 H new ATOM 0 HA MET A 100 120.589 13.102 7.212 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.135 15.472 8.113 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.434 15.635 8.499 1.00 0.00 H new ATOM 0 HG2 MET A 100 120.421 13.502 9.703 1.00 0.00 H new ATOM 0 HG3 MET A 100 122.031 13.106 9.134 1.00 0.00 H new ATOM 0 HE1 MET A 100 120.723 16.136 12.297 1.00 0.00 H new ATOM 0 HE2 MET A 100 120.587 16.653 10.600 1.00 0.00 H new ATOM 0 HE3 MET A 100 119.747 15.185 11.153 1.00 0.00 H new ATOM 1669 N TYR A 101 119.858 15.802 5.545 1.00 0.00 N ATOM 1670 CA TYR A 101 118.720 16.465 4.844 1.00 0.00 C ATOM 1671 C TYR A 101 118.022 15.467 3.917 1.00 0.00 C ATOM 1672 O TYR A 101 116.879 15.643 3.545 1.00 0.00 O ATOM 1673 CB TYR A 101 119.361 17.594 4.035 1.00 0.00 C ATOM 1674 CG TYR A 101 119.557 18.804 4.918 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.702 18.648 6.301 1.00 0.00 C ATOM 1676 CD2 TYR A 101 119.594 20.083 4.351 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.885 19.772 7.118 1.00 0.00 C ATOM 1678 CE2 TYR A 101 119.776 21.206 5.166 1.00 0.00 C ATOM 1679 CZ TYR A 101 119.922 21.050 6.549 1.00 0.00 C ATOM 1680 OH TYR A 101 120.103 22.157 7.353 1.00 0.00 O ATOM 0 H TYR A 101 120.774 16.215 5.372 1.00 0.00 H new ATOM 0 HA TYR A 101 117.965 16.838 5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.319 17.267 3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.728 17.850 3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 101 119.673 17.661 6.739 1.00 0.00 H new ATOM 0 HD2 TYR A 101 119.482 20.203 3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 101 119.997 19.652 8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 101 119.804 22.193 4.728 1.00 0.00 H new ATOM 0 HH TYR A 101 120.105 22.966 6.800 1.00 0.00 H new ATOM 1690 N ALA A 102 118.703 14.418 3.545 1.00 0.00 N ATOM 1691 CA ALA A 102 118.082 13.406 2.642 1.00 0.00 C ATOM 1692 C ALA A 102 117.210 12.444 3.450 1.00 0.00 C ATOM 1693 O ALA A 102 116.116 12.095 3.051 1.00 0.00 O ATOM 1694 CB ALA A 102 119.260 12.662 2.013 1.00 0.00 C ATOM 0 H ALA A 102 119.663 14.217 3.827 1.00 0.00 H new ATOM 0 HA ALA A 102 117.439 13.862 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 102 118.886 11.897 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 102 119.882 13.366 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.853 12.191 2.797 1.00 0.00 H new ATOM 1700 N VAL A 103 117.687 12.015 4.583 1.00 0.00 N ATOM 1701 CA VAL A 103 116.888 11.075 5.421 1.00 0.00 C ATOM 1702 C VAL A 103 115.756 11.832 6.119 1.00 0.00 C ATOM 1703 O VAL A 103 114.783 11.250 6.558 1.00 0.00 O ATOM 1704 CB VAL A 103 117.870 10.511 6.453 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.316 9.203 7.018 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.224 10.241 5.789 1.00 0.00 C ATOM 0 H VAL A 103 118.596 12.274 4.967 1.00 0.00 H new ATOM 0 HA VAL A 103 116.431 10.283 4.827 1.00 0.00 H new ATOM 0 HB VAL A 103 118.000 11.235 7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 103 118.013 8.800 7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.354 9.391 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.185 8.484 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.918 9.840 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 103 119.096 9.519 4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.623 11.171 5.384 1.00 0.00 H new ATOM 1716 N GLN A 104 115.875 13.127 6.223 1.00 0.00 N ATOM 1717 CA GLN A 104 114.810 13.924 6.888 1.00 0.00 C ATOM 1718 C GLN A 104 113.792 14.408 5.854 1.00 0.00 C ATOM 1719 O GLN A 104 112.619 14.544 6.138 1.00 0.00 O ATOM 1720 CB GLN A 104 115.537 15.111 7.520 1.00 0.00 C ATOM 1721 CG GLN A 104 116.490 14.605 8.605 1.00 0.00 C ATOM 1722 CD GLN A 104 117.312 15.776 9.147 1.00 0.00 C ATOM 1723 OE1 GLN A 104 117.315 16.034 10.335 1.00 0.00 O ATOM 1724 NE2 GLN A 104 118.016 16.501 8.321 1.00 0.00 N ATOM 0 H GLN A 104 116.667 13.668 5.875 1.00 0.00 H new ATOM 0 HA GLN A 104 114.261 13.343 7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.093 15.658 6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.816 15.806 7.950 1.00 0.00 H new ATOM 0 HG2 GLN A 104 115.925 14.139 9.412 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.151 13.841 8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 104 118.014 16.285 7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 104 118.568 17.283 8.672 1.00 0.00 H new ATOM 1733 N THR A 105 114.233 14.665 4.654 1.00 0.00 N ATOM 1734 CA THR A 105 113.291 15.136 3.599 1.00 0.00 C ATOM 1735 C THR A 105 112.176 14.108 3.401 1.00 0.00 C ATOM 1736 O THR A 105 111.097 14.426 2.944 1.00 0.00 O ATOM 1737 CB THR A 105 114.140 15.259 2.334 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.382 15.901 1.319 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.558 13.867 1.859 1.00 0.00 C ATOM 0 H THR A 105 115.204 14.569 4.358 1.00 0.00 H new ATOM 0 HA THR A 105 112.814 16.081 3.859 1.00 0.00 H new ATOM 0 HB THR A 105 115.032 15.848 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 105 113.925 15.982 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.163 13.957 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.140 13.376 2.639 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.669 13.274 1.642 1.00 0.00 H new ATOM 1747 N LEU A 106 112.430 12.875 3.746 1.00 0.00 N ATOM 1748 CA LEU A 106 111.386 11.823 3.582 1.00 0.00 C ATOM 1749 C LEU A 106 110.246 12.056 4.576 1.00 0.00 C ATOM 1750 O LEU A 106 109.085 11.912 4.249 1.00 0.00 O ATOM 1751 CB LEU A 106 112.104 10.507 3.884 1.00 0.00 C ATOM 1752 CG LEU A 106 112.658 9.919 2.585 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.546 8.714 2.904 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.494 9.476 1.697 1.00 0.00 C ATOM 0 H LEU A 106 113.316 12.550 4.134 1.00 0.00 H new ATOM 0 HA LEU A 106 110.944 11.826 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.914 10.677 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.415 9.803 4.350 1.00 0.00 H new ATOM 0 HG LEU A 106 113.249 10.673 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.940 8.297 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.373 9.030 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.959 7.956 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 106 111.883 9.056 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 106 110.905 8.721 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 106 110.863 10.335 1.469 1.00 0.00 H new ATOM 1766 N LYS A 107 110.570 12.417 5.787 1.00 0.00 N ATOM 1767 CA LYS A 107 109.507 12.661 6.804 1.00 0.00 C ATOM 1768 C LYS A 107 108.428 13.585 6.232 1.00 0.00 C ATOM 1769 O LYS A 107 107.278 13.527 6.618 1.00 0.00 O ATOM 1770 CB LYS A 107 110.226 13.335 7.972 1.00 0.00 C ATOM 1771 CG LYS A 107 109.287 13.406 9.179 1.00 0.00 C ATOM 1772 CD LYS A 107 109.817 14.435 10.178 1.00 0.00 C ATOM 1773 CE LYS A 107 109.323 15.830 9.788 1.00 0.00 C ATOM 1774 NZ LYS A 107 108.199 16.115 10.721 1.00 0.00 N ATOM 0 H LYS A 107 111.525 12.554 6.117 1.00 0.00 H new ATOM 0 HA LYS A 107 109.007 11.741 7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 107 111.125 12.776 8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.545 14.338 7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 107 108.283 13.681 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 107 109.213 12.428 9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 107 109.480 14.187 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 107 110.907 14.415 10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 107 110.116 16.571 9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 107 108.991 15.855 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 107.807 17.056 10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 107.456 15.397 10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 108.547 16.091 11.701 1.00 0.00 H new ATOM 1987 N VAL A 121 102.650 7.304 4.706 1.00 0.00 N ATOM 1988 CA VAL A 121 103.115 7.883 5.997 1.00 0.00 C ATOM 1989 C VAL A 121 104.195 6.990 6.610 1.00 0.00 C ATOM 1990 O VAL A 121 105.209 7.460 7.089 1.00 0.00 O ATOM 1991 CB VAL A 121 101.867 7.924 6.884 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.588 6.538 7.473 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.082 8.926 8.020 1.00 0.00 C ATOM 0 HA VAL A 121 103.556 8.873 5.879 1.00 0.00 H new ATOM 0 HB VAL A 121 101.013 8.230 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.698 6.582 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.426 5.825 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.440 6.219 8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.194 8.956 8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 121 102.942 8.621 8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.263 9.916 7.602 1.00 0.00 H new ATOM 2003 N ASN A 122 103.983 5.705 6.596 1.00 0.00 N ATOM 2004 CA ASN A 122 104.995 4.773 7.174 1.00 0.00 C ATOM 2005 C ASN A 122 106.398 5.167 6.710 1.00 0.00 C ATOM 2006 O ASN A 122 107.311 5.293 7.500 1.00 0.00 O ATOM 2007 CB ASN A 122 104.620 3.394 6.632 1.00 0.00 C ATOM 2008 CG ASN A 122 103.948 2.575 7.735 1.00 0.00 C ATOM 2009 OD1 ASN A 122 104.112 1.373 7.802 1.00 0.00 O ATOM 2010 ND2 ASN A 122 103.192 3.179 8.610 1.00 0.00 N ATOM 0 H ASN A 122 103.152 5.257 6.209 1.00 0.00 H new ATOM 0 HA ASN A 122 105.001 4.794 8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 122 103.947 3.497 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.511 2.878 6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 122 102.739 2.642 9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 122 103.054 4.188 8.554 1.00 0.00 H new ATOM 2017 N VAL A 123 106.577 5.361 5.433 1.00 0.00 N ATOM 2018 CA VAL A 123 107.921 5.746 4.915 1.00 0.00 C ATOM 2019 C VAL A 123 108.380 7.062 5.549 1.00 0.00 C ATOM 2020 O VAL A 123 109.544 7.246 5.846 1.00 0.00 O ATOM 2021 CB VAL A 123 107.725 5.917 3.409 1.00 0.00 C ATOM 2022 CG1 VAL A 123 106.654 6.978 3.151 1.00 0.00 C ATOM 2023 CG2 VAL A 123 109.042 6.361 2.772 1.00 0.00 C ATOM 0 H VAL A 123 105.850 5.270 4.724 1.00 0.00 H new ATOM 0 HA VAL A 123 108.683 5.002 5.149 1.00 0.00 H new ATOM 0 HB VAL A 123 107.410 4.968 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 123 106.514 7.100 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 123 105.714 6.665 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 123 106.969 7.926 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.904 6.483 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.355 7.310 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 123 109.807 5.607 2.956 1.00 0.00 H new ATOM 2033 N ARG A 124 107.477 7.979 5.756 1.00 0.00 N ATOM 2034 CA ARG A 124 107.861 9.285 6.366 1.00 0.00 C ATOM 2035 C ARG A 124 108.405 9.084 7.782 1.00 0.00 C ATOM 2036 O ARG A 124 109.571 9.300 8.049 1.00 0.00 O ATOM 2037 CB ARG A 124 106.570 10.101 6.403 1.00 0.00 C ATOM 2038 CG ARG A 124 106.145 10.454 4.976 1.00 0.00 C ATOM 2039 CD ARG A 124 105.255 11.700 5.002 1.00 0.00 C ATOM 2040 NE ARG A 124 104.167 11.373 5.965 1.00 0.00 N ATOM 2041 CZ ARG A 124 102.930 11.674 5.680 1.00 0.00 C ATOM 2042 NH1 ARG A 124 102.308 11.038 4.725 1.00 0.00 N ATOM 2043 NH2 ARG A 124 102.316 12.611 6.347 1.00 0.00 N ATOM 0 H ARG A 124 106.487 7.881 5.529 1.00 0.00 H new ATOM 0 HA ARG A 124 108.647 9.782 5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.783 9.532 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 124 106.719 11.011 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 124 107.024 10.635 4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 124 105.607 9.619 4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.815 12.579 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 124 104.854 11.920 4.013 1.00 0.00 H new ATOM 0 HE ARG A 124 104.389 10.913 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 124 102.789 10.306 4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 124 101.341 11.273 4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 124 102.803 13.109 7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 124 101.349 12.846 6.124 1.00 0.00 H new ATOM 2057 N GLU A 125 107.565 8.687 8.693 1.00 0.00 N ATOM 2058 CA GLU A 125 108.024 8.485 10.100 1.00 0.00 C ATOM 2059 C GLU A 125 109.251 7.569 10.150 1.00 0.00 C ATOM 2060 O GLU A 125 110.112 7.723 10.993 1.00 0.00 O ATOM 2061 CB GLU A 125 106.838 7.834 10.817 1.00 0.00 C ATOM 2062 CG GLU A 125 106.358 6.621 10.019 1.00 0.00 C ATOM 2063 CD GLU A 125 106.717 5.338 10.772 1.00 0.00 C ATOM 2064 OE1 GLU A 125 105.989 4.991 11.689 1.00 0.00 O ATOM 2065 OE2 GLU A 125 107.710 4.725 10.419 1.00 0.00 O ATOM 0 H GLU A 125 106.578 8.492 8.527 1.00 0.00 H new ATOM 0 HA GLU A 125 108.321 9.424 10.567 1.00 0.00 H new ATOM 0 HB2 GLU A 125 107.131 7.528 11.821 1.00 0.00 H new ATOM 0 HB3 GLU A 125 106.027 8.554 10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 125 105.280 6.676 9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 125 106.819 6.617 9.031 1.00 0.00 H new ATOM 2072 N LYS A 126 109.344 6.617 9.262 1.00 0.00 N ATOM 2073 CA LYS A 126 110.524 5.704 9.280 1.00 0.00 C ATOM 2074 C LYS A 126 111.816 6.507 9.101 1.00 0.00 C ATOM 2075 O LYS A 126 112.722 6.431 9.907 1.00 0.00 O ATOM 2076 CB LYS A 126 110.317 4.751 8.101 1.00 0.00 C ATOM 2077 CG LYS A 126 110.858 3.366 8.462 1.00 0.00 C ATOM 2078 CD LYS A 126 112.253 3.503 9.075 1.00 0.00 C ATOM 2079 CE LYS A 126 112.784 2.120 9.457 1.00 0.00 C ATOM 2080 NZ LYS A 126 112.470 1.976 10.906 1.00 0.00 N ATOM 0 H LYS A 126 108.659 6.432 8.529 1.00 0.00 H new ATOM 0 HA LYS A 126 110.611 5.165 10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.257 4.686 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 126 110.827 5.133 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 126 110.187 2.875 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 126 110.901 2.738 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 126 112.928 3.979 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 126 112.213 4.144 9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 126 112.305 1.337 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 126 113.856 2.044 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 112.804 1.051 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 112.945 2.731 11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 111.442 2.045 11.047 1.00 0.00 H new ATOM 2094 N ALA A 127 111.907 7.276 8.052 1.00 0.00 N ATOM 2095 CA ALA A 127 113.141 8.083 7.824 1.00 0.00 C ATOM 2096 C ALA A 127 113.457 8.937 9.056 1.00 0.00 C ATOM 2097 O ALA A 127 114.596 9.069 9.456 1.00 0.00 O ATOM 2098 CB ALA A 127 112.814 8.973 6.626 1.00 0.00 C ATOM 0 H ALA A 127 111.182 7.381 7.343 1.00 0.00 H new ATOM 0 HA ALA A 127 114.014 7.456 7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.674 9.600 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.576 8.350 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.958 9.605 6.865 1.00 0.00 H new ATOM 2104 N LYS A 128 112.456 9.520 9.658 1.00 0.00 N ATOM 2105 CA LYS A 128 112.702 10.369 10.860 1.00 0.00 C ATOM 2106 C LYS A 128 113.360 9.544 11.972 1.00 0.00 C ATOM 2107 O LYS A 128 114.189 10.034 12.713 1.00 0.00 O ATOM 2108 CB LYS A 128 111.318 10.846 11.298 1.00 0.00 C ATOM 2109 CG LYS A 128 111.460 12.089 12.177 1.00 0.00 C ATOM 2110 CD LYS A 128 111.071 11.743 13.616 1.00 0.00 C ATOM 2111 CE LYS A 128 110.364 12.941 14.255 1.00 0.00 C ATOM 2112 NZ LYS A 128 111.461 13.794 14.788 1.00 0.00 N ATOM 0 H LYS A 128 111.480 9.446 9.371 1.00 0.00 H new ATOM 0 HA LYS A 128 113.373 11.201 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.707 11.073 10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.807 10.056 11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.486 12.455 12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 128 110.824 12.889 11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 128 110.416 10.872 13.628 1.00 0.00 H new ATOM 0 HD3 LYS A 128 111.959 11.482 14.191 1.00 0.00 H new ATOM 0 HE2 LYS A 128 109.763 13.481 13.523 1.00 0.00 H new ATOM 0 HE3 LYS A 128 109.689 12.623 15.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 111.056 14.637 15.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 112.011 13.255 15.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 112.084 14.087 14.008 1.00 0.00 H new ATOM 2126 N GLN A 129 112.995 8.298 12.095 1.00 0.00 N ATOM 2127 CA GLN A 129 113.598 7.446 13.161 1.00 0.00 C ATOM 2128 C GLN A 129 115.087 7.217 12.884 1.00 0.00 C ATOM 2129 O GLN A 129 115.924 7.420 13.739 1.00 0.00 O ATOM 2130 CB GLN A 129 112.831 6.124 13.094 1.00 0.00 C ATOM 2131 CG GLN A 129 111.447 6.305 13.722 1.00 0.00 C ATOM 2132 CD GLN A 129 111.417 5.630 15.094 1.00 0.00 C ATOM 2133 OE1 GLN A 129 111.758 4.470 15.222 1.00 0.00 O ATOM 2134 NE2 GLN A 129 111.020 6.311 16.134 1.00 0.00 N ATOM 0 H GLN A 129 112.306 7.832 11.505 1.00 0.00 H new ATOM 0 HA GLN A 129 113.528 7.910 14.145 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.732 5.800 12.058 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.382 5.344 13.620 1.00 0.00 H new ATOM 0 HG2 GLN A 129 111.217 7.366 13.822 1.00 0.00 H new ATOM 0 HG3 GLN A 129 110.683 5.873 13.075 1.00 0.00 H new ATOM 0 HE21 GLN A 129 110.734 7.284 16.027 1.00 0.00 H new ATOM 0 HE22 GLN A 129 110.996 5.870 17.053 1.00 0.00 H new ATOM 2143 N LEU A 130 115.423 6.795 11.695 1.00 0.00 N ATOM 2144 CA LEU A 130 116.860 6.554 11.371 1.00 0.00 C ATOM 2145 C LEU A 130 117.686 7.806 11.674 1.00 0.00 C ATOM 2146 O LEU A 130 118.853 7.726 12.004 1.00 0.00 O ATOM 2147 CB LEU A 130 116.885 6.244 9.874 1.00 0.00 C ATOM 2148 CG LEU A 130 117.635 4.931 9.639 1.00 0.00 C ATOM 2149 CD1 LEU A 130 116.990 4.172 8.479 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.095 5.234 9.297 1.00 0.00 C ATOM 0 H LEU A 130 114.768 6.607 10.936 1.00 0.00 H new ATOM 0 HA LEU A 130 117.285 5.742 11.961 1.00 0.00 H new ATOM 0 HB2 LEU A 130 115.868 6.168 9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 130 117.371 7.055 9.332 1.00 0.00 H new ATOM 0 HG LEU A 130 117.589 4.321 10.541 1.00 0.00 H new ATOM 0 HD11 LEU A 130 117.526 3.237 8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 130 115.949 3.956 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.035 4.781 7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.631 4.300 9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.138 5.844 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.558 5.774 10.123 1.00 0.00 H new ATOM 2162 N VAL A 131 117.091 8.959 11.566 1.00 0.00 N ATOM 2163 CA VAL A 131 117.840 10.216 11.847 1.00 0.00 C ATOM 2164 C VAL A 131 117.852 10.500 13.352 1.00 0.00 C ATOM 2165 O VAL A 131 118.771 11.099 13.872 1.00 0.00 O ATOM 2166 CB VAL A 131 117.074 11.306 11.099 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.726 12.663 11.367 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.109 11.011 9.599 1.00 0.00 C ATOM 0 H VAL A 131 116.116 9.087 11.295 1.00 0.00 H new ATOM 0 HA VAL A 131 118.881 10.158 11.529 1.00 0.00 H new ATOM 0 HB VAL A 131 116.040 11.327 11.443 1.00 0.00 H new ATOM 0 HG11 VAL A 131 117.180 13.441 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.704 12.872 12.436 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.760 12.644 11.022 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.563 11.787 9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.143 10.992 9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.645 10.043 9.408 1.00 0.00 H new ATOM 2178 N ALA A 132 116.836 10.075 14.052 1.00 0.00 N ATOM 2179 CA ALA A 132 116.789 10.322 15.522 1.00 0.00 C ATOM 2180 C ALA A 132 117.852 9.485 16.238 1.00 0.00 C ATOM 2181 O ALA A 132 118.627 9.991 17.025 1.00 0.00 O ATOM 2182 CB ALA A 132 115.386 9.887 15.952 1.00 0.00 C ATOM 0 H ALA A 132 116.037 9.568 13.671 1.00 0.00 H new ATOM 0 HA ALA A 132 116.989 11.365 15.770 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.271 10.038 17.025 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.642 10.481 15.421 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.244 8.832 15.717 1.00 0.00 H new ATOM 2188 N LEU A 133 117.894 8.208 15.974 1.00 0.00 N ATOM 2189 CA LEU A 133 118.906 7.342 16.643 1.00 0.00 C ATOM 2190 C LEU A 133 120.320 7.769 16.244 1.00 0.00 C ATOM 2191 O LEU A 133 121.173 7.988 17.082 1.00 0.00 O ATOM 2192 CB LEU A 133 118.611 5.927 16.141 1.00 0.00 C ATOM 2193 CG LEU A 133 119.176 4.907 17.130 1.00 0.00 C ATOM 2194 CD1 LEU A 133 120.695 5.069 17.221 1.00 0.00 C ATOM 2195 CD2 LEU A 133 118.557 5.139 18.511 1.00 0.00 C ATOM 0 H LEU A 133 117.272 7.727 15.324 1.00 0.00 H new ATOM 0 HA LEU A 133 118.851 7.410 17.730 1.00 0.00 H new ATOM 0 HB2 LEU A 133 117.536 5.786 16.031 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.055 5.779 15.156 1.00 0.00 H new ATOM 0 HG LEU A 133 118.938 3.900 16.787 1.00 0.00 H new ATOM 0 HD11 LEU A 133 121.097 4.342 17.926 1.00 0.00 H new ATOM 0 HD12 LEU A 133 121.138 4.905 16.239 1.00 0.00 H new ATOM 0 HD13 LEU A 133 120.934 6.076 17.563 1.00 0.00 H new ATOM 0 HD21 LEU A 133 118.959 4.412 19.217 1.00 0.00 H new ATOM 0 HD22 LEU A 133 118.796 6.146 18.852 1.00 0.00 H new ATOM 0 HD23 LEU A 133 117.475 5.024 18.449 1.00 0.00 H new ATOM 2207 N LEU A 134 120.578 7.888 14.970 1.00 0.00 N ATOM 2208 CA LEU A 134 121.939 8.301 14.520 1.00 0.00 C ATOM 2209 C LEU A 134 122.368 9.585 15.235 1.00 0.00 C ATOM 2210 O LEU A 134 123.512 9.743 15.613 1.00 0.00 O ATOM 2211 CB LEU A 134 121.802 8.543 13.015 1.00 0.00 C ATOM 2212 CG LEU A 134 122.279 7.305 12.254 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.075 6.440 11.878 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.008 7.740 10.980 1.00 0.00 C ATOM 0 H LEU A 134 119.906 7.717 14.222 1.00 0.00 H new ATOM 0 HA LEU A 134 122.694 7.548 14.745 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.764 8.760 12.764 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.389 9.413 12.721 1.00 0.00 H new ATOM 0 HG LEU A 134 122.957 6.731 12.886 1.00 0.00 H new ATOM 0 HD11 LEU A 134 121.416 5.558 11.336 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.553 6.130 12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 134 120.397 7.015 11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 134 123.349 6.859 10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 134 122.329 8.315 10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 134 123.867 8.357 11.245 1.00 0.00 H new