USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1029 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 514 ASN : amide:sc= -1.52 K(o=-0.73,f=0.65) USER MOD Set 1.2: A 518 CYS SG : rot 180:sc= 0.352 USER MOD Set 1.3: A 520 LYS NZ :NH3+ -106:sc= 0.432 (180deg=-0.00402) USER MOD Set 2.1: A 504 GLN : amide:sc= 0.0315 X(o=-4.3,f=-3.9) USER MOD Set 2.2: A 508 ASN : amide:sc= -4.32! C(o=-4.3!,f=-3.9!) USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 439 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.14) USER MOD Single : A 440 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.15) USER MOD Single : A 441 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 442 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-3.3!) USER MOD Single : A 443 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.25) USER MOD Single : A 444 SER OG : rot -110:sc= -0.297 USER MOD Single : A 445 ASN : amide:sc= -2.56! C(o=-2.6!,f=-4.4!) USER MOD Single : A 447 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.66) USER MOD Single : A 453 SER OG : rot 59:sc= -0.209 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot -60:sc= -1.9! USER MOD Single : A 462 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -2.78! C(o=-2.8!,f=-7.5!) USER MOD Single : A 474 THR OG1 : rot 73:sc= -2.17 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 USER MOD Single : A 493 CYS SG : rot -96:sc= -3.95! USER MOD Single : A 494 HIS : no HD1:sc= -3.67 K(o=-3.7,f=-5.7!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 510 TYR OH : rot 70:sc= -3.22! USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HE2:sc= -7.18! C(o=-7.2!,f=-8.1!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.41) USER MOD Single : A 530 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.0023) USER MOD Single : A 532 TYR OH : rot 89:sc= -0.901 USER MOD Single : A 534 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 535 LYS NZ :NH3+ -161:sc= -0.0153 (180deg=-0.151) USER MOD Single : A 541 GLN : amide:sc= -1.78! C(o=-1.8!,f=-3.3!) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : A 546 GLN : amide:sc= -0.656! C(o=-0.66!,f=-0.73!) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ 157:sc= -0.0214 (180deg=-0.268) USER MOD Single : A 554 THR OG1 : rot -60:sc= 1.18 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 123.037 -10.414 -39.220 1.00 0.00 N ATOM 2 CA MET A 437 122.585 -10.818 -37.863 1.00 0.00 C ATOM 3 C MET A 437 122.896 -9.736 -36.834 1.00 0.00 C ATOM 4 O MET A 437 124.022 -9.635 -36.348 1.00 0.00 O ATOM 5 CB MET A 437 123.287 -12.125 -37.485 1.00 0.00 C ATOM 6 CG MET A 437 124.790 -12.093 -37.708 1.00 0.00 C ATOM 7 SD MET A 437 125.246 -12.430 -39.420 1.00 0.00 S ATOM 8 CE MET A 437 126.767 -11.496 -39.552 1.00 0.00 C ATOM 0 HA MET A 437 121.504 -10.961 -37.873 1.00 0.00 H new ATOM 0 HB2 MET A 437 123.088 -12.345 -36.436 1.00 0.00 H new ATOM 0 HB3 MET A 437 122.859 -12.940 -38.068 1.00 0.00 H new ATOM 0 HG2 MET A 437 125.175 -11.115 -37.419 1.00 0.00 H new ATOM 0 HG3 MET A 437 125.265 -12.828 -37.058 1.00 0.00 H new ATOM 0 HE1 MET A 437 127.174 -11.604 -40.557 1.00 0.00 H new ATOM 0 HE2 MET A 437 126.566 -10.443 -39.353 1.00 0.00 H new ATOM 0 HE3 MET A 437 127.489 -11.871 -38.826 1.00 0.00 H new ATOM 20 N HIS A 438 121.891 -8.930 -36.507 1.00 0.00 N ATOM 21 CA HIS A 438 122.060 -7.856 -35.535 1.00 0.00 C ATOM 22 C HIS A 438 120.735 -7.519 -34.857 1.00 0.00 C ATOM 23 O HIS A 438 120.645 -7.488 -33.630 1.00 0.00 O ATOM 24 CB HIS A 438 122.629 -6.609 -36.214 1.00 0.00 C ATOM 25 CG HIS A 438 124.096 -6.421 -35.985 1.00 0.00 C ATOM 26 ND1 HIS A 438 125.044 -6.645 -36.962 1.00 0.00 N ATOM 27 CD2 HIS A 438 124.778 -6.024 -34.885 1.00 0.00 C ATOM 28 CE1 HIS A 438 126.246 -6.395 -36.470 1.00 0.00 C ATOM 29 NE2 HIS A 438 126.110 -6.017 -35.214 1.00 0.00 N ATOM 0 H HIS A 438 120.952 -9.000 -36.900 1.00 0.00 H new ATOM 0 HA HIS A 438 122.760 -8.199 -34.773 1.00 0.00 H new ATOM 0 HB2 HIS A 438 122.442 -6.671 -37.286 1.00 0.00 H new ATOM 0 HB3 HIS A 438 122.097 -5.731 -35.848 1.00 0.00 H new ATOM 0 HD2 HIS A 438 124.353 -5.762 -33.927 1.00 0.00 H new ATOM 0 HE1 HIS A 438 127.180 -6.485 -37.006 1.00 0.00 H new ATOM 0 HE2 HIS A 438 126.873 -5.760 -34.587 1.00 0.00 H new ATOM 38 N HIS A 439 119.710 -7.267 -35.664 1.00 0.00 N ATOM 39 CA HIS A 439 118.391 -6.932 -35.142 1.00 0.00 C ATOM 40 C HIS A 439 118.455 -5.691 -34.257 1.00 0.00 C ATOM 41 O HIS A 439 119.526 -5.125 -34.041 1.00 0.00 O ATOM 42 CB HIS A 439 117.819 -8.110 -34.351 1.00 0.00 C ATOM 43 CG HIS A 439 116.788 -8.888 -35.106 1.00 0.00 C ATOM 44 ND1 HIS A 439 116.620 -10.250 -34.967 1.00 0.00 N ATOM 45 CD2 HIS A 439 115.866 -8.488 -36.014 1.00 0.00 C ATOM 46 CE1 HIS A 439 115.640 -10.654 -35.757 1.00 0.00 C ATOM 47 NE2 HIS A 439 115.167 -9.604 -36.402 1.00 0.00 N ATOM 0 H HIS A 439 119.768 -7.288 -36.682 1.00 0.00 H new ATOM 0 HA HIS A 439 117.736 -6.719 -35.987 1.00 0.00 H new ATOM 0 HB2 HIS A 439 118.633 -8.778 -34.069 1.00 0.00 H new ATOM 0 HB3 HIS A 439 117.377 -7.737 -33.427 1.00 0.00 H new ATOM 0 HD2 HIS A 439 115.710 -7.479 -36.367 1.00 0.00 H new ATOM 0 HE1 HIS A 439 115.287 -11.670 -35.857 1.00 0.00 H new ATOM 0 HE2 HIS A 439 114.405 -9.619 -37.080 1.00 0.00 H new ATOM 56 N HIS A 440 117.299 -5.271 -33.750 1.00 0.00 N ATOM 57 CA HIS A 440 117.226 -4.093 -32.891 1.00 0.00 C ATOM 58 C HIS A 440 116.507 -4.408 -31.583 1.00 0.00 C ATOM 59 O HIS A 440 115.592 -3.689 -31.179 1.00 0.00 O ATOM 60 CB HIS A 440 116.507 -2.955 -33.615 1.00 0.00 C ATOM 61 CG HIS A 440 115.270 -3.392 -34.337 1.00 0.00 C ATOM 62 ND1 HIS A 440 114.036 -3.492 -33.728 1.00 0.00 N ATOM 63 CD2 HIS A 440 115.080 -3.760 -35.627 1.00 0.00 C ATOM 64 CE1 HIS A 440 113.144 -3.904 -34.610 1.00 0.00 C ATOM 65 NE2 HIS A 440 113.752 -4.073 -35.770 1.00 0.00 N ATOM 0 H HIS A 440 116.403 -5.727 -33.919 1.00 0.00 H new ATOM 0 HA HIS A 440 118.245 -3.786 -32.657 1.00 0.00 H new ATOM 0 HB2 HIS A 440 116.242 -2.185 -32.891 1.00 0.00 H new ATOM 0 HB3 HIS A 440 117.193 -2.499 -34.329 1.00 0.00 H new ATOM 0 HD2 HIS A 440 115.834 -3.800 -36.399 1.00 0.00 H new ATOM 0 HE1 HIS A 440 112.095 -4.074 -34.416 1.00 0.00 H new ATOM 0 HE2 HIS A 440 113.306 -4.386 -36.633 1.00 0.00 H new ATOM 74 N HIS A 441 116.926 -5.481 -30.921 1.00 0.00 N ATOM 75 CA HIS A 441 116.321 -5.880 -29.656 1.00 0.00 C ATOM 76 C HIS A 441 117.254 -5.574 -28.490 1.00 0.00 C ATOM 77 O HIS A 441 118.162 -4.751 -28.609 1.00 0.00 O ATOM 78 CB HIS A 441 115.975 -7.369 -29.675 1.00 0.00 C ATOM 79 CG HIS A 441 114.525 -7.648 -29.421 1.00 0.00 C ATOM 80 ND1 HIS A 441 114.075 -8.361 -28.329 1.00 0.00 N ATOM 81 CD2 HIS A 441 113.420 -7.302 -30.123 1.00 0.00 C ATOM 82 CE1 HIS A 441 112.757 -8.441 -28.371 1.00 0.00 C ATOM 83 NE2 HIS A 441 112.336 -7.807 -29.449 1.00 0.00 N ATOM 0 H HIS A 441 117.681 -6.089 -31.239 1.00 0.00 H new ATOM 0 HA HIS A 441 115.403 -5.307 -29.524 1.00 0.00 H new ATOM 0 HB2 HIS A 441 116.253 -7.786 -30.643 1.00 0.00 H new ATOM 0 HB3 HIS A 441 116.573 -7.883 -28.922 1.00 0.00 H new ATOM 0 HD2 HIS A 441 113.396 -6.735 -31.042 1.00 0.00 H new ATOM 0 HE1 HIS A 441 112.131 -8.940 -27.646 1.00 0.00 H new ATOM 0 HE2 HIS A 441 111.362 -7.708 -29.735 1.00 0.00 H new ATOM 92 N HIS A 442 117.026 -6.239 -27.361 1.00 0.00 N ATOM 93 CA HIS A 442 117.850 -6.032 -26.175 1.00 0.00 C ATOM 94 C HIS A 442 117.774 -7.234 -25.239 1.00 0.00 C ATOM 95 O HIS A 442 116.997 -8.162 -25.466 1.00 0.00 O ATOM 96 CB HIS A 442 117.406 -4.767 -25.439 1.00 0.00 C ATOM 97 CG HIS A 442 116.915 -3.687 -26.351 1.00 0.00 C ATOM 98 ND1 HIS A 442 117.744 -2.735 -26.907 1.00 0.00 N ATOM 99 CD2 HIS A 442 115.671 -3.410 -26.808 1.00 0.00 C ATOM 100 CE1 HIS A 442 117.032 -1.920 -27.664 1.00 0.00 C ATOM 101 NE2 HIS A 442 115.772 -2.308 -27.622 1.00 0.00 N ATOM 0 H HIS A 442 116.279 -6.924 -27.243 1.00 0.00 H new ATOM 0 HA HIS A 442 118.885 -5.914 -26.497 1.00 0.00 H new ATOM 0 HB2 HIS A 442 116.615 -5.025 -24.735 1.00 0.00 H new ATOM 0 HB3 HIS A 442 118.242 -4.385 -24.853 1.00 0.00 H new ATOM 0 HD2 HIS A 442 114.767 -3.954 -26.576 1.00 0.00 H new ATOM 0 HE1 HIS A 442 117.416 -1.079 -28.222 1.00 0.00 H new ATOM 0 HE2 HIS A 442 114.998 -1.862 -28.114 1.00 0.00 H new ATOM 110 N HIS A 443 118.589 -7.210 -24.189 1.00 0.00 N ATOM 111 CA HIS A 443 118.620 -8.298 -23.217 1.00 0.00 C ATOM 112 C HIS A 443 118.569 -7.758 -21.791 1.00 0.00 C ATOM 113 O HIS A 443 119.209 -6.756 -21.473 1.00 0.00 O ATOM 114 CB HIS A 443 119.879 -9.143 -23.408 1.00 0.00 C ATOM 115 CG HIS A 443 119.597 -10.572 -23.755 1.00 0.00 C ATOM 116 ND1 HIS A 443 120.590 -11.517 -23.915 1.00 0.00 N ATOM 117 CD2 HIS A 443 118.427 -11.219 -23.972 1.00 0.00 C ATOM 118 CE1 HIS A 443 120.043 -12.681 -24.215 1.00 0.00 C ATOM 119 NE2 HIS A 443 118.733 -12.528 -24.256 1.00 0.00 N ATOM 0 H HIS A 443 119.237 -6.448 -23.989 1.00 0.00 H new ATOM 0 HA HIS A 443 117.742 -8.922 -23.381 1.00 0.00 H new ATOM 0 HB2 HIS A 443 120.487 -8.700 -24.197 1.00 0.00 H new ATOM 0 HB3 HIS A 443 120.470 -9.110 -22.493 1.00 0.00 H new ATOM 0 HD2 HIS A 443 117.438 -10.787 -23.930 1.00 0.00 H new ATOM 0 HE1 HIS A 443 120.577 -13.602 -24.396 1.00 0.00 H new ATOM 0 HE2 HIS A 443 118.057 -13.263 -24.465 1.00 0.00 H new ATOM 128 N SER A 444 117.806 -8.430 -20.936 1.00 0.00 N ATOM 129 CA SER A 444 117.673 -8.020 -19.544 1.00 0.00 C ATOM 130 C SER A 444 117.323 -6.538 -19.441 1.00 0.00 C ATOM 131 O SER A 444 116.150 -6.167 -19.444 1.00 0.00 O ATOM 132 CB SER A 444 118.967 -8.305 -18.778 1.00 0.00 C ATOM 133 OG SER A 444 119.000 -7.598 -17.550 1.00 0.00 O ATOM 0 H SER A 444 117.270 -9.262 -21.183 1.00 0.00 H new ATOM 0 HA SER A 444 116.862 -8.597 -19.100 1.00 0.00 H new ATOM 0 HB2 SER A 444 119.052 -9.375 -18.587 1.00 0.00 H new ATOM 0 HB3 SER A 444 119.824 -8.021 -19.388 1.00 0.00 H new ATOM 0 HG SER A 444 119.675 -6.889 -17.599 1.00 0.00 H new ATOM 139 N ASN A 445 118.348 -5.696 -19.349 1.00 0.00 N ATOM 140 CA ASN A 445 118.145 -4.255 -19.243 1.00 0.00 C ATOM 141 C ASN A 445 117.855 -3.854 -17.800 1.00 0.00 C ATOM 142 O ASN A 445 118.649 -3.157 -17.168 1.00 0.00 O ATOM 143 CB ASN A 445 116.992 -3.814 -20.146 1.00 0.00 C ATOM 144 CG ASN A 445 117.023 -4.495 -21.501 1.00 0.00 C ATOM 145 OD1 ASN A 445 117.952 -4.302 -22.285 1.00 0.00 O ATOM 146 ND2 ASN A 445 116.004 -5.299 -21.782 1.00 0.00 N ATOM 0 H ASN A 445 119.326 -5.986 -19.346 1.00 0.00 H new ATOM 0 HA ASN A 445 119.060 -3.759 -19.565 1.00 0.00 H new ATOM 0 HB2 ASN A 445 116.045 -4.034 -19.654 1.00 0.00 H new ATOM 0 HB3 ASN A 445 117.036 -2.734 -20.285 1.00 0.00 H new ATOM 0 HD21 ASN A 445 115.970 -5.786 -22.678 1.00 0.00 H new ATOM 0 HD22 ASN A 445 115.255 -5.430 -21.102 1.00 0.00 H new ATOM 153 N ALA A 446 116.715 -4.305 -17.285 1.00 0.00 N ATOM 154 CA ALA A 446 116.322 -3.997 -15.916 1.00 0.00 C ATOM 155 C ALA A 446 115.910 -2.535 -15.779 1.00 0.00 C ATOM 156 O ALA A 446 116.705 -1.630 -16.031 1.00 0.00 O ATOM 157 CB ALA A 446 117.445 -4.319 -14.943 1.00 0.00 C ATOM 0 H ALA A 446 116.048 -4.884 -17.795 1.00 0.00 H new ATOM 0 HA ALA A 446 115.462 -4.621 -15.672 1.00 0.00 H new ATOM 0 HB1 ALA A 446 117.127 -4.080 -13.928 1.00 0.00 H new ATOM 0 HB2 ALA A 446 117.689 -5.379 -15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 446 118.326 -3.728 -15.195 1.00 0.00 H new ATOM 163 N THR A 447 114.665 -2.313 -15.376 1.00 0.00 N ATOM 164 CA THR A 447 114.148 -0.960 -15.201 1.00 0.00 C ATOM 165 C THR A 447 114.221 -0.534 -13.740 1.00 0.00 C ATOM 166 O THR A 447 113.360 0.198 -13.250 1.00 0.00 O ATOM 167 CB THR A 447 112.690 -0.847 -15.685 1.00 0.00 C ATOM 168 OG1 THR A 447 112.445 -1.699 -16.812 1.00 0.00 O ATOM 169 CG2 THR A 447 112.362 0.584 -16.081 1.00 0.00 C ATOM 0 H THR A 447 113.994 -3.052 -15.164 1.00 0.00 H new ATOM 0 HA THR A 447 114.773 -0.301 -15.803 1.00 0.00 H new ATOM 0 HB THR A 447 112.055 -1.157 -14.855 1.00 0.00 H new ATOM 0 HG1 THR A 447 111.511 -1.607 -17.095 1.00 0.00 H new ATOM 0 HG21 THR A 447 111.327 0.640 -16.419 1.00 0.00 H new ATOM 0 HG22 THR A 447 112.498 1.240 -15.221 1.00 0.00 H new ATOM 0 HG23 THR A 447 113.025 0.900 -16.887 1.00 0.00 H new ATOM 177 N GLY A 448 115.257 -0.999 -13.047 1.00 0.00 N ATOM 178 CA GLY A 448 115.427 -0.659 -11.647 1.00 0.00 C ATOM 179 C GLY A 448 116.254 -1.688 -10.900 1.00 0.00 C ATOM 180 O GLY A 448 115.708 -2.548 -10.209 1.00 0.00 O ATOM 0 H GLY A 448 115.982 -1.605 -13.431 1.00 0.00 H new ATOM 0 HA2 GLY A 448 115.907 0.316 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 448 114.448 -0.571 -11.175 1.00 0.00 H new ATOM 184 N PRO A 449 117.588 -1.622 -11.024 1.00 0.00 N ATOM 185 CA PRO A 449 118.493 -2.560 -10.354 1.00 0.00 C ATOM 186 C PRO A 449 118.191 -2.695 -8.865 1.00 0.00 C ATOM 187 O PRO A 449 118.636 -1.882 -8.055 1.00 0.00 O ATOM 188 CB PRO A 449 119.871 -1.932 -10.568 1.00 0.00 C ATOM 189 CG PRO A 449 119.731 -1.137 -11.820 1.00 0.00 C ATOM 190 CD PRO A 449 118.315 -0.628 -11.831 1.00 0.00 C ATOM 0 HA PRO A 449 118.403 -3.571 -10.752 1.00 0.00 H new ATOM 0 HB2 PRO A 449 120.154 -1.300 -9.726 1.00 0.00 H new ATOM 0 HB3 PRO A 449 120.643 -2.695 -10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 449 120.443 -0.312 -11.840 1.00 0.00 H new ATOM 0 HG3 PRO A 449 119.932 -1.752 -12.697 1.00 0.00 H new ATOM 0 HD2 PRO A 449 118.244 0.370 -11.399 1.00 0.00 H new ATOM 0 HD3 PRO A 449 117.918 -0.566 -12.844 1.00 0.00 H new ATOM 198 N GLN A 450 117.429 -3.725 -8.513 1.00 0.00 N ATOM 199 CA GLN A 450 117.064 -3.967 -7.122 1.00 0.00 C ATOM 200 C GLN A 450 116.203 -2.831 -6.579 1.00 0.00 C ATOM 201 O GLN A 450 116.629 -2.080 -5.703 1.00 0.00 O ATOM 202 CB GLN A 450 118.320 -4.127 -6.262 1.00 0.00 C ATOM 203 CG GLN A 450 118.266 -5.325 -5.328 1.00 0.00 C ATOM 204 CD GLN A 450 117.856 -6.600 -6.038 1.00 0.00 C ATOM 205 OE1 GLN A 450 118.689 -7.298 -6.613 1.00 0.00 O ATOM 206 NE2 GLN A 450 116.565 -6.909 -5.999 1.00 0.00 N ATOM 0 H GLN A 450 117.052 -4.406 -9.172 1.00 0.00 H new ATOM 0 HA GLN A 450 116.485 -4.889 -7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 450 119.188 -4.224 -6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 450 118.464 -3.222 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 450 119.244 -5.468 -4.869 1.00 0.00 H new ATOM 0 HG3 GLN A 450 117.562 -5.120 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 450 115.909 -6.300 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 450 116.229 -7.756 -6.458 1.00 0.00 H new ATOM 215 N PHE A 451 114.988 -2.713 -7.108 1.00 0.00 N ATOM 216 CA PHE A 451 114.066 -1.669 -6.676 1.00 0.00 C ATOM 217 C PHE A 451 113.622 -1.898 -5.235 1.00 0.00 C ATOM 218 O PHE A 451 112.966 -2.895 -4.928 1.00 0.00 O ATOM 219 CB PHE A 451 112.847 -1.621 -7.601 1.00 0.00 C ATOM 220 CG PHE A 451 111.921 -2.793 -7.444 1.00 0.00 C ATOM 221 CD1 PHE A 451 110.922 -2.778 -6.484 1.00 0.00 C ATOM 222 CD2 PHE A 451 112.047 -3.906 -8.258 1.00 0.00 C ATOM 223 CE1 PHE A 451 110.065 -3.853 -6.339 1.00 0.00 C ATOM 224 CE2 PHE A 451 111.194 -4.985 -8.118 1.00 0.00 C ATOM 225 CZ PHE A 451 110.202 -4.957 -7.157 1.00 0.00 C ATOM 0 H PHE A 451 114.620 -3.327 -7.835 1.00 0.00 H new ATOM 0 HA PHE A 451 114.587 -0.713 -6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 451 112.292 -0.703 -7.408 1.00 0.00 H new ATOM 0 HB3 PHE A 451 113.189 -1.576 -8.635 1.00 0.00 H new ATOM 0 HD1 PHE A 451 110.812 -1.917 -5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 451 112.821 -3.932 -9.011 1.00 0.00 H new ATOM 0 HE1 PHE A 451 109.290 -3.829 -5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 451 111.303 -5.848 -8.758 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.534 -5.798 -7.046 1.00 0.00 H new ATOM 235 N VAL A 452 113.981 -0.968 -4.353 1.00 0.00 N ATOM 236 CA VAL A 452 113.616 -1.069 -2.945 1.00 0.00 C ATOM 237 C VAL A 452 112.109 -1.235 -2.786 1.00 0.00 C ATOM 238 O VAL A 452 111.349 -0.283 -2.956 1.00 0.00 O ATOM 239 CB VAL A 452 114.074 0.173 -2.156 1.00 0.00 C ATOM 240 CG1 VAL A 452 115.592 0.222 -2.071 1.00 0.00 C ATOM 241 CG2 VAL A 452 113.528 1.443 -2.791 1.00 0.00 C ATOM 0 H VAL A 452 114.524 -0.137 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 452 114.122 -1.948 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 452 113.678 0.102 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 452 115.897 1.106 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 452 115.957 -0.672 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 452 116.011 0.267 -3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 452 113.863 2.309 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 452 113.891 1.523 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 452 112.439 1.409 -2.794 1.00 0.00 H new ATOM 251 N SER A 453 111.682 -2.455 -2.470 1.00 0.00 N ATOM 252 CA SER A 453 110.261 -2.754 -2.300 1.00 0.00 C ATOM 253 C SER A 453 109.668 -2.164 -1.012 1.00 0.00 C ATOM 254 O SER A 453 108.597 -2.589 -0.585 1.00 0.00 O ATOM 255 CB SER A 453 110.043 -4.268 -2.318 1.00 0.00 C ATOM 256 OG SER A 453 109.669 -4.746 -1.037 1.00 0.00 O ATOM 0 H SER A 453 112.300 -3.254 -2.326 1.00 0.00 H new ATOM 0 HA SER A 453 109.741 -2.283 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.269 -4.518 -3.043 1.00 0.00 H new ATOM 0 HB3 SER A 453 110.957 -4.766 -2.643 1.00 0.00 H new ATOM 0 HG SER A 453 108.843 -4.303 -0.751 1.00 0.00 H new ATOM 262 N GLY A 454 110.341 -1.184 -0.406 1.00 0.00 N ATOM 263 CA GLY A 454 109.828 -0.569 0.812 1.00 0.00 C ATOM 264 C GLY A 454 109.045 -1.532 1.690 1.00 0.00 C ATOM 265 O GLY A 454 108.121 -1.125 2.395 1.00 0.00 O ATOM 0 H GLY A 454 111.229 -0.806 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.662 -0.163 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 454 109.187 0.271 0.544 1.00 0.00 H new ATOM 269 N VAL A 455 109.413 -2.809 1.646 1.00 0.00 N ATOM 270 CA VAL A 455 108.745 -3.839 2.436 1.00 0.00 C ATOM 271 C VAL A 455 107.230 -3.643 2.465 1.00 0.00 C ATOM 272 O VAL A 455 106.714 -2.795 3.193 1.00 0.00 O ATOM 273 CB VAL A 455 109.271 -3.877 3.884 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.454 -5.315 4.344 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.576 -3.102 4.008 1.00 0.00 C ATOM 0 H VAL A 455 110.177 -3.158 1.067 1.00 0.00 H new ATOM 0 HA VAL A 455 108.971 -4.787 1.947 1.00 0.00 H new ATOM 0 HB VAL A 455 108.533 -3.399 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 455 109.826 -5.325 5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.497 -5.836 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.170 -5.817 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 455 110.927 -3.143 5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.325 -3.544 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.411 -2.063 3.722 1.00 0.00 H new ATOM 285 N ILE A 456 106.520 -4.450 1.678 1.00 0.00 N ATOM 286 CA ILE A 456 105.063 -4.385 1.622 1.00 0.00 C ATOM 287 C ILE A 456 104.452 -5.370 2.615 1.00 0.00 C ATOM 288 O ILE A 456 104.764 -6.560 2.589 1.00 0.00 O ATOM 289 CB ILE A 456 104.532 -4.698 0.209 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.291 -3.884 -0.839 1.00 0.00 C ATOM 291 CG2 ILE A 456 103.040 -4.407 0.128 1.00 0.00 C ATOM 292 CD1 ILE A 456 105.139 -2.389 -0.666 1.00 0.00 C ATOM 0 H ILE A 456 106.932 -5.157 1.070 1.00 0.00 H new ATOM 0 HA ILE A 456 104.774 -3.367 1.882 1.00 0.00 H new ATOM 0 HB ILE A 456 104.691 -5.757 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.349 -4.142 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.938 -4.165 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.679 -4.633 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.509 -5.025 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.862 -3.355 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.703 -1.874 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 456 104.086 -2.119 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.518 -2.096 0.313 1.00 0.00 H new ATOM 304 N VAL A 457 103.576 -4.875 3.483 1.00 0.00 N ATOM 305 CA VAL A 457 102.921 -5.723 4.472 1.00 0.00 C ATOM 306 C VAL A 457 101.429 -5.845 4.189 1.00 0.00 C ATOM 307 O VAL A 457 100.708 -4.850 4.194 1.00 0.00 O ATOM 308 CB VAL A 457 103.120 -5.181 5.899 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.468 -6.104 6.917 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.600 -5.005 6.199 1.00 0.00 C ATOM 0 H VAL A 457 103.304 -3.893 3.522 1.00 0.00 H new ATOM 0 HA VAL A 457 103.383 -6.707 4.399 1.00 0.00 H new ATOM 0 HB VAL A 457 102.639 -4.205 5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.619 -5.704 7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.400 -6.175 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.917 -7.095 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.723 -4.621 7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 457 105.106 -5.967 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.034 -4.301 5.489 1.00 0.00 H new ATOM 320 N LYS A 458 100.969 -7.067 3.947 1.00 0.00 N ATOM 321 CA LYS A 458 99.560 -7.307 3.668 1.00 0.00 C ATOM 322 C LYS A 458 98.782 -7.561 4.954 1.00 0.00 C ATOM 323 O LYS A 458 99.023 -8.547 5.652 1.00 0.00 O ATOM 324 CB LYS A 458 99.403 -8.498 2.723 1.00 0.00 C ATOM 325 CG LYS A 458 97.979 -8.701 2.231 1.00 0.00 C ATOM 326 CD LYS A 458 97.757 -10.124 1.744 1.00 0.00 C ATOM 327 CE LYS A 458 96.385 -10.288 1.113 1.00 0.00 C ATOM 328 NZ LYS A 458 95.675 -11.488 1.633 1.00 0.00 N ATOM 0 H LYS A 458 101.551 -7.905 3.939 1.00 0.00 H new ATOM 0 HA LYS A 458 99.155 -6.414 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 458 100.059 -8.358 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 458 99.735 -9.402 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.279 -8.477 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.769 -8.001 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.526 -10.385 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 458 97.859 -10.816 2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 458 95.786 -9.399 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.490 -10.369 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 94.743 -11.564 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.234 -12.340 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 95.551 -11.400 2.662 1.00 0.00 H new ATOM 342 N ILE A 459 97.837 -6.677 5.253 1.00 0.00 N ATOM 343 CA ILE A 459 97.010 -6.818 6.445 1.00 0.00 C ATOM 344 C ILE A 459 95.565 -7.122 6.072 1.00 0.00 C ATOM 345 O ILE A 459 94.921 -6.348 5.365 1.00 0.00 O ATOM 346 CB ILE A 459 97.039 -5.555 7.327 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.482 -5.152 7.639 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.261 -5.796 8.614 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.589 -4.050 8.671 1.00 0.00 C ATOM 0 H ILE A 459 97.625 -5.856 4.687 1.00 0.00 H new ATOM 0 HA ILE A 459 97.430 -7.648 7.013 1.00 0.00 H new ATOM 0 HB ILE A 459 96.566 -4.738 6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 459 99.027 -6.027 7.995 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.967 -4.826 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.288 -4.897 9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.226 -6.040 8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.711 -6.624 9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.639 -3.814 8.844 1.00 0.00 H new ATOM 0 HD12 ILE A 459 98.072 -3.161 8.309 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.133 -4.380 9.604 1.00 0.00 H new ATOM 361 N ILE A 460 95.056 -8.242 6.564 1.00 0.00 N ATOM 362 CA ILE A 460 93.680 -8.631 6.291 1.00 0.00 C ATOM 363 C ILE A 460 92.972 -9.023 7.584 1.00 0.00 C ATOM 364 O ILE A 460 93.522 -9.753 8.409 1.00 0.00 O ATOM 365 CB ILE A 460 93.605 -9.779 5.254 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.231 -9.802 4.584 1.00 0.00 C ATOM 367 CG2 ILE A 460 93.922 -11.129 5.885 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.139 -10.384 5.454 1.00 0.00 C ATOM 0 H ILE A 460 95.573 -8.896 7.152 1.00 0.00 H new ATOM 0 HA ILE A 460 93.170 -7.769 5.860 1.00 0.00 H new ATOM 0 HB ILE A 460 94.362 -9.590 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.956 -8.785 4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.296 -10.380 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 460 93.859 -11.909 5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 460 94.929 -11.108 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.205 -11.337 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.194 -10.367 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.390 -11.412 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.045 -9.792 6.365 1.00 0.00 H new ATOM 380 N SER A 461 91.757 -8.517 7.769 1.00 0.00 N ATOM 381 CA SER A 461 90.992 -8.807 8.975 1.00 0.00 C ATOM 382 C SER A 461 89.892 -9.821 8.702 1.00 0.00 C ATOM 383 O SER A 461 89.683 -10.242 7.566 1.00 0.00 O ATOM 384 CB SER A 461 90.381 -7.528 9.547 1.00 0.00 C ATOM 385 OG SER A 461 89.171 -7.199 8.883 1.00 0.00 O ATOM 0 H SER A 461 91.283 -7.907 7.103 1.00 0.00 H new ATOM 0 HA SER A 461 91.681 -9.232 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.191 -7.657 10.613 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.090 -6.706 9.446 1.00 0.00 H new ATOM 0 HG SER A 461 89.348 -7.060 7.929 1.00 0.00 H new ATOM 391 N THR A 462 89.194 -10.208 9.759 1.00 0.00 N ATOM 392 CA THR A 462 88.110 -11.174 9.651 1.00 0.00 C ATOM 393 C THR A 462 86.778 -10.475 9.422 1.00 0.00 C ATOM 394 O THR A 462 85.788 -11.108 9.058 1.00 0.00 O ATOM 395 CB THR A 462 88.007 -12.045 10.917 1.00 0.00 C ATOM 396 OG1 THR A 462 88.454 -11.332 12.077 1.00 0.00 O ATOM 397 CG2 THR A 462 88.843 -13.309 10.778 1.00 0.00 C ATOM 0 H THR A 462 89.360 -9.866 10.706 1.00 0.00 H new ATOM 0 HA THR A 462 88.336 -11.812 8.797 1.00 0.00 H new ATOM 0 HB THR A 462 86.956 -12.308 11.035 1.00 0.00 H new ATOM 0 HG1 THR A 462 88.376 -11.909 12.866 1.00 0.00 H new ATOM 0 HG21 THR A 462 88.753 -13.906 11.685 1.00 0.00 H new ATOM 0 HG22 THR A 462 88.488 -13.888 9.926 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.888 -13.039 10.624 1.00 0.00 H new ATOM 405 N GLU A 463 86.761 -9.163 9.642 1.00 0.00 N ATOM 406 CA GLU A 463 85.548 -8.376 9.463 1.00 0.00 C ATOM 407 C GLU A 463 85.623 -7.068 10.245 1.00 0.00 C ATOM 408 O GLU A 463 85.341 -5.995 9.711 1.00 0.00 O ATOM 409 CB GLU A 463 84.331 -9.183 9.914 1.00 0.00 C ATOM 410 CG GLU A 463 83.556 -9.810 8.767 1.00 0.00 C ATOM 411 CD GLU A 463 82.257 -9.085 8.475 1.00 0.00 C ATOM 412 OE1 GLU A 463 81.261 -9.763 8.147 1.00 0.00 O ATOM 413 OE2 GLU A 463 82.236 -7.841 8.575 1.00 0.00 O ATOM 0 H GLU A 463 87.573 -8.625 9.944 1.00 0.00 H new ATOM 0 HA GLU A 463 85.451 -8.136 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.659 -9.970 10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 463 83.664 -8.532 10.479 1.00 0.00 H new ATOM 0 HG2 GLU A 463 84.177 -9.810 7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.341 -10.852 9.006 1.00 0.00 H new ATOM 420 N PRO A 464 85.996 -7.147 11.532 1.00 0.00 N ATOM 421 CA PRO A 464 86.102 -5.978 12.400 1.00 0.00 C ATOM 422 C PRO A 464 87.437 -5.252 12.256 1.00 0.00 C ATOM 423 O PRO A 464 88.174 -5.089 13.229 1.00 0.00 O ATOM 424 CB PRO A 464 85.971 -6.587 13.793 1.00 0.00 C ATOM 425 CG PRO A 464 86.583 -7.941 13.666 1.00 0.00 C ATOM 426 CD PRO A 464 86.338 -8.392 12.245 1.00 0.00 C ATOM 0 HA PRO A 464 85.353 -5.221 12.166 1.00 0.00 H new ATOM 0 HB2 PRO A 464 86.489 -5.985 14.540 1.00 0.00 H new ATOM 0 HB3 PRO A 464 84.928 -6.650 14.102 1.00 0.00 H new ATOM 0 HG2 PRO A 464 87.651 -7.906 13.883 1.00 0.00 H new ATOM 0 HG3 PRO A 464 86.136 -8.637 14.376 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.222 -8.867 11.819 1.00 0.00 H new ATOM 0 HD3 PRO A 464 85.528 -9.119 12.191 1.00 0.00 H new ATOM 434 N LEU A 465 87.739 -4.810 11.038 1.00 0.00 N ATOM 435 CA LEU A 465 88.982 -4.092 10.773 1.00 0.00 C ATOM 436 C LEU A 465 88.868 -2.645 11.236 1.00 0.00 C ATOM 437 O LEU A 465 87.963 -1.920 10.823 1.00 0.00 O ATOM 438 CB LEU A 465 89.316 -4.136 9.279 1.00 0.00 C ATOM 439 CG LEU A 465 90.787 -3.889 8.927 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.274 -4.929 7.928 1.00 0.00 C ATOM 441 CD2 LEU A 465 90.971 -2.488 8.365 1.00 0.00 C ATOM 0 H LEU A 465 87.142 -4.936 10.221 1.00 0.00 H new ATOM 0 HA LEU A 465 89.784 -4.578 11.328 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.025 -5.111 8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.707 -3.392 8.766 1.00 0.00 H new ATOM 0 HG LEU A 465 91.380 -3.977 9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.320 -4.741 7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.175 -5.924 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.676 -4.868 7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.021 -2.329 8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.367 -2.375 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 465 90.656 -1.754 9.107 1.00 0.00 H new ATOM 453 N PRO A 466 89.788 -2.205 12.106 1.00 0.00 N ATOM 454 CA PRO A 466 89.789 -0.838 12.628 1.00 0.00 C ATOM 455 C PRO A 466 89.581 0.200 11.530 1.00 0.00 C ATOM 456 O PRO A 466 88.663 1.018 11.600 1.00 0.00 O ATOM 457 CB PRO A 466 91.183 -0.700 13.238 1.00 0.00 C ATOM 458 CG PRO A 466 91.566 -2.086 13.632 1.00 0.00 C ATOM 459 CD PRO A 466 90.898 -3.009 12.647 1.00 0.00 C ATOM 0 HA PRO A 466 88.978 -0.667 13.336 1.00 0.00 H new ATOM 0 HB2 PRO A 466 91.889 -0.284 12.520 1.00 0.00 H new ATOM 0 HB3 PRO A 466 91.173 -0.032 14.100 1.00 0.00 H new ATOM 0 HG2 PRO A 466 92.649 -2.211 13.609 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.242 -2.304 14.650 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.586 -3.320 11.861 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.536 -3.916 13.131 1.00 0.00 H new ATOM 467 N GLY A 467 90.444 0.163 10.520 1.00 0.00 N ATOM 468 CA GLY A 467 90.347 1.107 9.421 1.00 0.00 C ATOM 469 C GLY A 467 91.658 1.822 9.171 1.00 0.00 C ATOM 470 O GLY A 467 92.381 2.137 10.111 1.00 0.00 O ATOM 0 H GLY A 467 91.211 -0.505 10.443 1.00 0.00 H new ATOM 0 HA2 GLY A 467 90.043 0.580 8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.570 1.840 9.640 1.00 0.00 H new ATOM 474 N ARG A 468 91.978 2.052 7.900 1.00 0.00 N ATOM 475 CA ARG A 468 93.226 2.713 7.526 1.00 0.00 C ATOM 476 C ARG A 468 93.702 3.689 8.604 1.00 0.00 C ATOM 477 O ARG A 468 94.889 3.727 8.929 1.00 0.00 O ATOM 478 CB ARG A 468 93.059 3.451 6.197 1.00 0.00 C ATOM 479 CG ARG A 468 91.673 4.042 5.992 1.00 0.00 C ATOM 480 CD ARG A 468 91.437 4.414 4.538 1.00 0.00 C ATOM 481 NE ARG A 468 90.190 5.150 4.355 1.00 0.00 N ATOM 482 CZ ARG A 468 90.017 6.413 4.734 1.00 0.00 C ATOM 483 NH1 ARG A 468 91.006 7.071 5.324 1.00 0.00 N ATOM 484 NH2 ARG A 468 88.856 7.017 4.523 1.00 0.00 N ATOM 0 H ARG A 468 91.389 1.790 7.110 1.00 0.00 H new ATOM 0 HA ARG A 468 93.984 1.937 7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 468 93.797 4.251 6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 468 93.274 2.762 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 468 90.919 3.323 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 468 91.557 4.926 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 468 92.270 5.018 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 468 91.415 3.509 3.932 1.00 0.00 H new ATOM 0 HE ARG A 468 89.407 4.669 3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 468 91.900 6.608 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 468 90.872 8.040 5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 468 88.094 6.513 4.069 1.00 0.00 H new ATOM 0 HH22 ARG A 468 88.725 7.986 4.814 1.00 0.00 H new ATOM 498 N LYS A 469 92.780 4.468 9.162 1.00 0.00 N ATOM 499 CA LYS A 469 93.135 5.426 10.207 1.00 0.00 C ATOM 500 C LYS A 469 93.651 4.705 11.450 1.00 0.00 C ATOM 501 O LYS A 469 94.684 5.072 12.015 1.00 0.00 O ATOM 502 CB LYS A 469 91.925 6.292 10.568 1.00 0.00 C ATOM 503 CG LYS A 469 90.656 5.493 10.811 1.00 0.00 C ATOM 504 CD LYS A 469 89.460 6.127 10.121 1.00 0.00 C ATOM 505 CE LYS A 469 88.977 7.360 10.867 1.00 0.00 C ATOM 506 NZ LYS A 469 87.706 7.891 10.300 1.00 0.00 N ATOM 0 H LYS A 469 91.791 4.457 8.912 1.00 0.00 H new ATOM 0 HA LYS A 469 93.929 6.068 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.157 6.871 11.462 1.00 0.00 H new ATOM 0 HB3 LYS A 469 91.747 7.006 9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 469 90.790 4.475 10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 469 90.466 5.426 11.882 1.00 0.00 H new ATOM 0 HD2 LYS A 469 89.729 6.400 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 469 88.650 5.401 10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 469 88.830 7.114 11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 469 89.744 8.133 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 87.411 8.731 10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 87.852 8.150 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 86.967 7.162 10.363 1.00 0.00 H new ATOM 520 N GLN A 470 92.932 3.664 11.858 1.00 0.00 N ATOM 521 CA GLN A 470 93.313 2.876 13.021 1.00 0.00 C ATOM 522 C GLN A 470 94.410 1.884 12.659 1.00 0.00 C ATOM 523 O GLN A 470 95.377 1.718 13.401 1.00 0.00 O ATOM 524 CB GLN A 470 92.101 2.135 13.586 1.00 0.00 C ATOM 525 CG GLN A 470 91.232 2.993 14.492 1.00 0.00 C ATOM 526 CD GLN A 470 89.831 2.432 14.656 1.00 0.00 C ATOM 527 OE1 GLN A 470 89.271 1.848 13.729 1.00 0.00 O ATOM 528 NE2 GLN A 470 89.258 2.610 15.842 1.00 0.00 N ATOM 0 H GLN A 470 92.079 3.347 11.397 1.00 0.00 H new ATOM 0 HA GLN A 470 93.695 3.555 13.783 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.495 1.764 12.760 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.445 1.265 14.145 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.704 3.075 15.471 1.00 0.00 H new ATOM 0 HG3 GLN A 470 91.170 4.001 14.082 1.00 0.00 H new ATOM 0 HE21 GLN A 470 89.760 3.100 16.582 1.00 0.00 H new ATOM 0 HE22 GLN A 470 88.317 2.256 16.012 1.00 0.00 H new ATOM 537 N VAL A 471 94.259 1.231 11.509 1.00 0.00 N ATOM 538 CA VAL A 471 95.251 0.268 11.057 1.00 0.00 C ATOM 539 C VAL A 471 96.615 0.937 10.938 1.00 0.00 C ATOM 540 O VAL A 471 97.629 0.400 11.389 1.00 0.00 O ATOM 541 CB VAL A 471 94.870 -0.341 9.694 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.949 -1.302 9.218 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.523 -1.045 9.781 1.00 0.00 C ATOM 0 H VAL A 471 93.465 1.352 10.880 1.00 0.00 H new ATOM 0 HA VAL A 471 95.290 -0.532 11.796 1.00 0.00 H new ATOM 0 HB VAL A 471 94.787 0.467 8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.662 -1.722 8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.893 -0.767 9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 471 96.066 -2.106 9.944 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.271 -1.469 8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.577 -1.843 10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.756 -0.328 10.074 1.00 0.00 H new ATOM 553 N ARG A 472 96.624 2.130 10.343 1.00 0.00 N ATOM 554 CA ARG A 472 97.854 2.895 10.179 1.00 0.00 C ATOM 555 C ARG A 472 98.424 3.292 11.535 1.00 0.00 C ATOM 556 O ARG A 472 99.624 3.163 11.777 1.00 0.00 O ATOM 557 CB ARG A 472 97.602 4.140 9.326 1.00 0.00 C ATOM 558 CG ARG A 472 96.959 5.290 10.086 1.00 0.00 C ATOM 559 CD ARG A 472 96.999 6.576 9.279 1.00 0.00 C ATOM 560 NE ARG A 472 96.730 7.750 10.106 1.00 0.00 N ATOM 561 CZ ARG A 472 97.187 8.966 9.828 1.00 0.00 C ATOM 562 NH1 ARG A 472 97.939 9.166 8.754 1.00 0.00 N ATOM 563 NH2 ARG A 472 96.894 9.985 10.626 1.00 0.00 N ATOM 0 H ARG A 472 95.792 2.585 9.968 1.00 0.00 H new ATOM 0 HA ARG A 472 98.582 2.265 9.668 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.550 4.479 8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 472 96.961 3.869 8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 472 95.925 5.039 10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.477 5.437 11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 472 97.978 6.679 8.810 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.265 6.523 8.475 1.00 0.00 H new ATOM 0 HE ARG A 472 96.160 7.629 10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 472 98.168 8.385 8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 472 98.288 10.101 8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 472 96.317 9.835 11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 472 97.245 10.918 10.412 1.00 0.00 H new ATOM 577 N ASP A 473 97.553 3.773 12.421 1.00 0.00 N ATOM 578 CA ASP A 473 97.973 4.183 13.756 1.00 0.00 C ATOM 579 C ASP A 473 98.536 2.996 14.526 1.00 0.00 C ATOM 580 O ASP A 473 99.524 3.121 15.249 1.00 0.00 O ATOM 581 CB ASP A 473 96.798 4.792 14.520 1.00 0.00 C ATOM 582 CG ASP A 473 97.028 6.248 14.875 1.00 0.00 C ATOM 583 OD1 ASP A 473 98.202 6.639 15.043 1.00 0.00 O ATOM 584 OD2 ASP A 473 96.034 6.996 14.985 1.00 0.00 O ATOM 0 H ASP A 473 96.556 3.887 12.238 1.00 0.00 H new ATOM 0 HA ASP A 473 98.754 4.936 13.653 1.00 0.00 H new ATOM 0 HB2 ASP A 473 95.894 4.707 13.917 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.628 4.221 15.433 1.00 0.00 H new ATOM 589 N THR A 474 97.901 1.840 14.360 1.00 0.00 N ATOM 590 CA THR A 474 98.336 0.624 15.032 1.00 0.00 C ATOM 591 C THR A 474 99.742 0.234 14.592 1.00 0.00 C ATOM 592 O THR A 474 100.717 0.455 15.312 1.00 0.00 O ATOM 593 CB THR A 474 97.384 -0.551 14.741 1.00 0.00 C ATOM 594 OG1 THR A 474 96.729 -0.391 13.477 1.00 0.00 O ATOM 595 CG2 THR A 474 96.319 -0.672 15.818 1.00 0.00 C ATOM 0 H THR A 474 97.082 1.721 13.764 1.00 0.00 H new ATOM 0 HA THR A 474 98.330 0.833 16.102 1.00 0.00 H new ATOM 0 HB THR A 474 97.996 -1.453 14.723 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.370 -0.551 12.754 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.661 -1.510 15.587 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.796 -0.841 16.784 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.735 0.248 15.857 1.00 0.00 H new ATOM 603 N LEU A 475 99.835 -0.364 13.410 1.00 0.00 N ATOM 604 CA LEU A 475 101.117 -0.802 12.876 1.00 0.00 C ATOM 605 C LEU A 475 102.210 0.227 13.143 1.00 0.00 C ATOM 606 O LEU A 475 103.336 -0.132 13.487 1.00 0.00 O ATOM 607 CB LEU A 475 101.001 -1.056 11.372 1.00 0.00 C ATOM 608 CG LEU A 475 100.570 0.156 10.545 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.785 0.948 10.088 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.735 -0.282 9.351 1.00 0.00 C ATOM 0 H LEU A 475 99.037 -0.556 12.804 1.00 0.00 H new ATOM 0 HA LEU A 475 101.391 -1.728 13.381 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.965 -1.406 11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.286 -1.862 11.209 1.00 0.00 H new ATOM 0 HG LEU A 475 99.956 0.802 11.173 1.00 0.00 H new ATOM 0 HD11 LEU A 475 101.460 1.807 9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 475 102.342 1.294 10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.425 0.312 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.437 0.594 8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 475 100.323 -0.949 8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.845 -0.805 9.701 1.00 0.00 H new ATOM 622 N ALA A 476 101.882 1.507 12.982 1.00 0.00 N ATOM 623 CA ALA A 476 102.857 2.565 13.211 1.00 0.00 C ATOM 624 C ALA A 476 103.204 2.681 14.691 1.00 0.00 C ATOM 625 O ALA A 476 104.298 3.116 15.051 1.00 0.00 O ATOM 626 CB ALA A 476 102.348 3.899 12.686 1.00 0.00 C ATOM 0 H ALA A 476 100.958 1.832 12.697 1.00 0.00 H new ATOM 0 HA ALA A 476 103.762 2.301 12.665 1.00 0.00 H new ATOM 0 HB1 ALA A 476 103.095 4.671 12.870 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.162 3.821 11.615 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.422 4.161 13.197 1.00 0.00 H new ATOM 632 N ALA A 477 102.263 2.292 15.546 1.00 0.00 N ATOM 633 CA ALA A 477 102.470 2.357 16.987 1.00 0.00 C ATOM 634 C ALA A 477 103.427 1.267 17.453 1.00 0.00 C ATOM 635 O ALA A 477 104.145 1.438 18.437 1.00 0.00 O ATOM 636 CB ALA A 477 101.148 2.249 17.732 1.00 0.00 C ATOM 0 H ALA A 477 101.352 1.929 15.266 1.00 0.00 H new ATOM 0 HA ALA A 477 102.916 3.326 17.212 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.330 2.300 18.805 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.495 3.070 17.435 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.670 1.300 17.490 1.00 0.00 H new ATOM 642 N ILE A 478 103.438 0.148 16.735 1.00 0.00 N ATOM 643 CA ILE A 478 104.317 -0.963 17.077 1.00 0.00 C ATOM 644 C ILE A 478 105.726 -0.726 16.538 1.00 0.00 C ATOM 645 O ILE A 478 106.712 -1.156 17.137 1.00 0.00 O ATOM 646 CB ILE A 478 103.767 -2.306 16.548 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.630 -2.797 17.448 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.869 -3.356 16.473 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.251 -2.548 16.877 1.00 0.00 C ATOM 0 H ILE A 478 102.851 -0.012 15.917 1.00 0.00 H new ATOM 0 HA ILE A 478 104.360 -1.019 18.165 1.00 0.00 H new ATOM 0 HB ILE A 478 103.382 -2.146 15.541 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.753 -3.866 17.624 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.707 -2.304 18.417 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.455 -4.292 16.098 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.655 -3.011 15.801 1.00 0.00 H new ATOM 0 HG23 ILE A 478 105.287 -3.517 17.467 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.497 -2.922 17.570 1.00 0.00 H new ATOM 0 HD12 ILE A 478 101.107 -1.478 16.727 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.154 -3.064 15.922 1.00 0.00 H new ATOM 661 N SER A 479 105.813 -0.039 15.403 1.00 0.00 N ATOM 662 CA SER A 479 107.101 0.256 14.786 1.00 0.00 C ATOM 663 C SER A 479 106.989 1.433 13.823 1.00 0.00 C ATOM 664 O SER A 479 105.914 1.721 13.300 1.00 0.00 O ATOM 665 CB SER A 479 107.631 -0.973 14.045 1.00 0.00 C ATOM 666 OG SER A 479 107.407 -0.865 12.649 1.00 0.00 O ATOM 0 H SER A 479 105.008 0.323 14.893 1.00 0.00 H new ATOM 0 HA SER A 479 107.799 0.524 15.579 1.00 0.00 H new ATOM 0 HB2 SER A 479 108.698 -1.085 14.237 1.00 0.00 H new ATOM 0 HB3 SER A 479 107.143 -1.870 14.426 1.00 0.00 H new ATOM 0 HG SER A 479 107.756 -1.662 12.199 1.00 0.00 H new ATOM 672 N GLU A 480 108.111 2.108 13.594 1.00 0.00 N ATOM 673 CA GLU A 480 108.142 3.253 12.693 1.00 0.00 C ATOM 674 C GLU A 480 107.962 2.807 11.245 1.00 0.00 C ATOM 675 O GLU A 480 108.867 2.224 10.647 1.00 0.00 O ATOM 676 CB GLU A 480 109.462 4.014 12.850 1.00 0.00 C ATOM 677 CG GLU A 480 109.707 5.050 11.764 1.00 0.00 C ATOM 678 CD GLU A 480 109.396 6.462 12.223 1.00 0.00 C ATOM 679 OE1 GLU A 480 109.577 7.400 11.418 1.00 0.00 O ATOM 680 OE2 GLU A 480 108.971 6.629 13.385 1.00 0.00 O ATOM 0 H GLU A 480 109.010 1.882 14.020 1.00 0.00 H new ATOM 0 HA GLU A 480 107.317 3.916 12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.471 4.510 13.821 1.00 0.00 H new ATOM 0 HB3 GLU A 480 110.285 3.299 12.849 1.00 0.00 H new ATOM 0 HG2 GLU A 480 110.748 4.997 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 480 109.094 4.811 10.895 1.00 0.00 H new ATOM 687 N VAL A 481 106.787 3.084 10.687 1.00 0.00 N ATOM 688 CA VAL A 481 106.485 2.712 9.311 1.00 0.00 C ATOM 689 C VAL A 481 106.587 3.913 8.381 1.00 0.00 C ATOM 690 O VAL A 481 106.623 5.059 8.829 1.00 0.00 O ATOM 691 CB VAL A 481 105.074 2.111 9.190 1.00 0.00 C ATOM 692 CG1 VAL A 481 105.041 0.704 9.766 1.00 0.00 C ATOM 693 CG2 VAL A 481 104.054 3.003 9.880 1.00 0.00 C ATOM 0 H VAL A 481 106.028 3.566 11.169 1.00 0.00 H new ATOM 0 HA VAL A 481 107.221 1.963 9.019 1.00 0.00 H new ATOM 0 HB VAL A 481 104.813 2.051 8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 481 104.035 0.296 9.671 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.742 0.071 9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.322 0.735 10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 481 103.062 2.562 9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.309 3.098 10.936 1.00 0.00 H new ATOM 0 HG23 VAL A 481 104.060 3.989 9.415 1.00 0.00 H new ATOM 703 N LEU A 482 106.630 3.643 7.081 1.00 0.00 N ATOM 704 CA LEU A 482 106.723 4.704 6.087 1.00 0.00 C ATOM 705 C LEU A 482 105.338 5.207 5.698 1.00 0.00 C ATOM 706 O LEU A 482 104.970 6.340 6.010 1.00 0.00 O ATOM 707 CB LEU A 482 107.467 4.211 4.843 1.00 0.00 C ATOM 708 CG LEU A 482 108.323 5.263 4.126 1.00 0.00 C ATOM 709 CD1 LEU A 482 108.215 5.098 2.618 1.00 0.00 C ATOM 710 CD2 LEU A 482 107.911 6.671 4.537 1.00 0.00 C ATOM 0 H LEU A 482 106.602 2.700 6.692 1.00 0.00 H new ATOM 0 HA LEU A 482 107.281 5.530 6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.110 3.379 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.736 3.819 4.136 1.00 0.00 H new ATOM 0 HG LEU A 482 109.362 5.113 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 482 108.828 5.852 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 482 108.563 4.105 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 482 107.176 5.219 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.532 7.399 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 482 106.865 6.834 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 482 108.040 6.788 5.613 1.00 0.00 H new ATOM 722 N TYR A 483 104.574 4.363 5.009 1.00 0.00 N ATOM 723 CA TYR A 483 103.231 4.740 4.576 1.00 0.00 C ATOM 724 C TYR A 483 102.318 3.524 4.466 1.00 0.00 C ATOM 725 O TYR A 483 102.741 2.456 4.027 1.00 0.00 O ATOM 726 CB TYR A 483 103.296 5.467 3.232 1.00 0.00 C ATOM 727 CG TYR A 483 101.939 5.750 2.627 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.380 7.021 2.686 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.216 4.745 1.995 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.140 7.282 2.133 1.00 0.00 C ATOM 731 CE2 TYR A 483 99.977 4.998 1.439 1.00 0.00 C ATOM 732 CZ TYR A 483 99.443 6.267 1.511 1.00 0.00 C ATOM 733 OH TYR A 483 98.209 6.524 0.959 1.00 0.00 O ATOM 0 H TYR A 483 104.859 3.421 4.740 1.00 0.00 H new ATOM 0 HA TYR A 483 102.813 5.408 5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.829 6.409 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.878 4.867 2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.923 7.818 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.630 3.749 1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.719 8.275 2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.429 4.206 0.950 1.00 0.00 H new ATOM 0 HH TYR A 483 97.852 5.704 0.559 1.00 0.00 H new ATOM 743 N VAL A 484 101.061 3.699 4.862 1.00 0.00 N ATOM 744 CA VAL A 484 100.079 2.621 4.805 1.00 0.00 C ATOM 745 C VAL A 484 99.142 2.803 3.614 1.00 0.00 C ATOM 746 O VAL A 484 98.414 3.792 3.536 1.00 0.00 O ATOM 747 CB VAL A 484 99.242 2.556 6.096 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.420 1.278 6.138 1.00 0.00 C ATOM 749 CG2 VAL A 484 100.140 2.661 7.320 1.00 0.00 C ATOM 0 H VAL A 484 100.698 4.579 5.227 1.00 0.00 H new ATOM 0 HA VAL A 484 100.633 1.689 4.694 1.00 0.00 H new ATOM 0 HB VAL A 484 98.555 3.402 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.836 1.251 7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 484 97.748 1.249 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 484 99.086 0.416 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 484 99.531 2.613 8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 484 100.854 1.837 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 484 100.679 3.608 7.296 1.00 0.00 H new ATOM 759 N ASP A 485 99.158 1.844 2.692 1.00 0.00 N ATOM 760 CA ASP A 485 98.300 1.906 1.514 1.00 0.00 C ATOM 761 C ASP A 485 97.102 0.974 1.656 1.00 0.00 C ATOM 762 O ASP A 485 97.146 -0.181 1.230 1.00 0.00 O ATOM 763 CB ASP A 485 99.091 1.549 0.257 1.00 0.00 C ATOM 764 CG ASP A 485 98.253 1.652 -1.003 1.00 0.00 C ATOM 765 OD1 ASP A 485 97.205 2.330 -0.965 1.00 0.00 O ATOM 766 OD2 ASP A 485 98.647 1.058 -2.028 1.00 0.00 O ATOM 0 H ASP A 485 99.754 1.017 2.738 1.00 0.00 H new ATOM 0 HA ASP A 485 97.931 2.928 1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.952 2.212 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 485 99.478 0.534 0.351 1.00 0.00 H new ATOM 771 N LEU A 486 96.032 1.481 2.251 1.00 0.00 N ATOM 772 CA LEU A 486 94.818 0.694 2.442 1.00 0.00 C ATOM 773 C LEU A 486 93.838 0.928 1.299 1.00 0.00 C ATOM 774 O LEU A 486 93.549 2.071 0.944 1.00 0.00 O ATOM 775 CB LEU A 486 94.160 1.044 3.774 1.00 0.00 C ATOM 776 CG LEU A 486 92.865 0.285 4.065 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.684 0.093 5.562 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.678 1.021 3.468 1.00 0.00 C ATOM 0 H LEU A 486 95.978 2.434 2.611 1.00 0.00 H new ATOM 0 HA LEU A 486 95.095 -0.360 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.870 0.846 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.950 2.113 3.790 1.00 0.00 H new ATOM 0 HG LEU A 486 92.927 -0.700 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.757 -0.449 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 486 93.524 -0.476 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 486 92.641 1.066 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.763 0.470 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.612 2.018 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.807 1.104 2.389 1.00 0.00 H new ATOM 790 N LEU A 487 93.326 -0.156 0.722 1.00 0.00 N ATOM 791 CA LEU A 487 92.379 -0.054 -0.383 1.00 0.00 C ATOM 792 C LEU A 487 91.120 0.692 0.051 1.00 0.00 C ATOM 793 O LEU A 487 90.230 0.119 0.675 1.00 0.00 O ATOM 794 CB LEU A 487 92.013 -1.446 -0.900 1.00 0.00 C ATOM 795 CG LEU A 487 92.944 -2.004 -1.979 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.946 -2.972 -1.370 1.00 0.00 C ATOM 797 CD2 LEU A 487 92.139 -2.688 -3.075 1.00 0.00 C ATOM 0 H LEU A 487 93.550 -1.111 1.000 1.00 0.00 H new ATOM 0 HA LEU A 487 92.853 0.508 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 487 92.003 -2.138 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.999 -1.413 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 487 93.494 -1.174 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.600 -3.359 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 487 94.544 -2.453 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 487 93.414 -3.799 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 487 92.817 -3.079 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 487 91.563 -3.508 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 487 91.460 -1.968 -3.531 1.00 0.00 H new ATOM 809 N GLU A 488 91.059 1.977 -0.285 1.00 0.00 N ATOM 810 CA GLU A 488 89.917 2.814 0.069 1.00 0.00 C ATOM 811 C GLU A 488 88.608 2.029 0.010 1.00 0.00 C ATOM 812 O GLU A 488 88.174 1.605 -1.060 1.00 0.00 O ATOM 813 CB GLU A 488 89.839 4.020 -0.871 1.00 0.00 C ATOM 814 CG GLU A 488 89.717 5.352 -0.147 1.00 0.00 C ATOM 815 CD GLU A 488 88.347 5.557 0.471 1.00 0.00 C ATOM 816 OE1 GLU A 488 87.339 5.307 -0.223 1.00 0.00 O ATOM 817 OE2 GLU A 488 88.282 5.967 1.649 1.00 0.00 O ATOM 0 H GLU A 488 91.790 2.463 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 488 90.061 3.157 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 488 90.730 4.038 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 488 88.983 3.897 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 488 90.476 5.408 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 488 89.920 6.162 -0.847 1.00 0.00 H new ATOM 824 N GLY A 489 87.978 1.852 1.169 1.00 0.00 N ATOM 825 CA GLY A 489 86.717 1.133 1.228 1.00 0.00 C ATOM 826 C GLY A 489 86.888 -0.373 1.191 1.00 0.00 C ATOM 827 O GLY A 489 85.920 -1.107 0.990 1.00 0.00 O ATOM 0 H GLY A 489 88.318 2.194 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 489 86.190 1.410 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 489 86.090 1.442 0.392 1.00 0.00 H new ATOM 831 N ASP A 490 88.117 -0.839 1.381 1.00 0.00 N ATOM 832 CA ASP A 490 88.398 -2.269 1.363 1.00 0.00 C ATOM 833 C ASP A 490 88.892 -2.757 2.722 1.00 0.00 C ATOM 834 O ASP A 490 89.507 -2.007 3.479 1.00 0.00 O ATOM 835 CB ASP A 490 89.434 -2.594 0.289 1.00 0.00 C ATOM 836 CG ASP A 490 89.191 -3.942 -0.362 1.00 0.00 C ATOM 837 OD1 ASP A 490 89.708 -4.166 -1.476 1.00 0.00 O ATOM 838 OD2 ASP A 490 88.483 -4.774 0.244 1.00 0.00 O ATOM 0 H ASP A 490 88.932 -0.249 1.549 1.00 0.00 H new ATOM 0 HA ASP A 490 87.466 -2.786 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 490 89.417 -1.817 -0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 490 90.429 -2.583 0.733 1.00 0.00 H new ATOM 843 N THR A 491 88.613 -4.021 3.019 1.00 0.00 N ATOM 844 CA THR A 491 89.022 -4.625 4.283 1.00 0.00 C ATOM 845 C THR A 491 90.460 -5.131 4.217 1.00 0.00 C ATOM 846 O THR A 491 90.902 -5.885 5.085 1.00 0.00 O ATOM 847 CB THR A 491 88.097 -5.793 4.676 1.00 0.00 C ATOM 848 OG1 THR A 491 88.440 -6.992 3.970 1.00 0.00 O ATOM 849 CG2 THR A 491 86.644 -5.457 4.382 1.00 0.00 C ATOM 0 H THR A 491 88.103 -4.650 2.399 1.00 0.00 H new ATOM 0 HA THR A 491 88.950 -3.844 5.040 1.00 0.00 H new ATOM 0 HB THR A 491 88.229 -5.955 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.837 -7.715 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.011 -6.297 4.668 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.353 -4.573 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.525 -5.259 3.317 1.00 0.00 H new ATOM 857 N GLU A 492 91.188 -4.713 3.186 1.00 0.00 N ATOM 858 CA GLU A 492 92.575 -5.128 3.015 1.00 0.00 C ATOM 859 C GLU A 492 93.488 -3.918 2.837 1.00 0.00 C ATOM 860 O GLU A 492 93.210 -3.027 2.032 1.00 0.00 O ATOM 861 CB GLU A 492 92.706 -6.062 1.811 1.00 0.00 C ATOM 862 CG GLU A 492 92.146 -5.478 0.525 1.00 0.00 C ATOM 863 CD GLU A 492 92.107 -6.489 -0.605 1.00 0.00 C ATOM 864 OE1 GLU A 492 91.620 -6.136 -1.700 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.563 -7.633 -0.395 1.00 0.00 O ATOM 0 H GLU A 492 90.841 -4.088 2.458 1.00 0.00 H new ATOM 0 HA GLU A 492 92.881 -5.662 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 492 93.758 -6.304 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 492 92.191 -6.998 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.139 -5.104 0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 492 92.753 -4.624 0.223 1.00 0.00 H new ATOM 872 N CYS A 493 94.580 -3.891 3.594 1.00 0.00 N ATOM 873 CA CYS A 493 95.531 -2.790 3.520 1.00 0.00 C ATOM 874 C CYS A 493 96.955 -3.308 3.346 1.00 0.00 C ATOM 875 O CYS A 493 97.304 -4.374 3.850 1.00 0.00 O ATOM 876 CB CYS A 493 95.443 -1.928 4.780 1.00 0.00 C ATOM 877 SG CYS A 493 94.753 -2.786 6.215 1.00 0.00 S ATOM 0 H CYS A 493 94.827 -4.619 4.265 1.00 0.00 H new ATOM 0 HA CYS A 493 95.276 -2.183 2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 493 96.441 -1.567 5.031 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.832 -1.051 4.566 1.00 0.00 H new ATOM 0 HG CYS A 493 93.483 -2.525 6.307 1.00 0.00 H new ATOM 883 N HIS A 494 97.772 -2.543 2.630 1.00 0.00 N ATOM 884 CA HIS A 494 99.160 -2.919 2.392 1.00 0.00 C ATOM 885 C HIS A 494 100.098 -1.789 2.804 1.00 0.00 C ATOM 886 O HIS A 494 100.258 -0.807 2.079 1.00 0.00 O ATOM 887 CB HIS A 494 99.372 -3.267 0.918 1.00 0.00 C ATOM 888 CG HIS A 494 98.579 -4.454 0.463 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.206 -4.534 0.584 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.971 -5.614 -0.116 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.791 -5.691 0.100 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.841 -6.364 -0.331 1.00 0.00 N ATOM 0 H HIS A 494 97.496 -1.658 2.204 1.00 0.00 H new ATOM 0 HA HIS A 494 99.386 -3.798 2.996 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.103 -2.405 0.307 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.431 -3.461 0.748 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.984 -5.897 -0.363 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.766 -6.029 0.063 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.817 -7.291 -0.755 1.00 0.00 H new ATOM 901 N ALA A 495 100.702 -1.924 3.981 1.00 0.00 N ATOM 902 CA ALA A 495 101.606 -0.902 4.495 1.00 0.00 C ATOM 903 C ALA A 495 103.043 -1.125 4.032 1.00 0.00 C ATOM 904 O ALA A 495 103.559 -2.241 4.071 1.00 0.00 O ATOM 905 CB ALA A 495 101.554 -0.849 6.014 1.00 0.00 C ATOM 0 H ALA A 495 100.582 -2.729 4.595 1.00 0.00 H new ATOM 0 HA ALA A 495 101.268 0.053 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.236 -0.079 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.539 -0.614 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.849 -1.816 6.422 1.00 0.00 H new ATOM 911 N ARG A 496 103.683 -0.039 3.609 1.00 0.00 N ATOM 912 CA ARG A 496 105.065 -0.081 3.151 1.00 0.00 C ATOM 913 C ARG A 496 106.002 0.365 4.272 1.00 0.00 C ATOM 914 O ARG A 496 105.756 1.377 4.932 1.00 0.00 O ATOM 915 CB ARG A 496 105.246 0.820 1.928 1.00 0.00 C ATOM 916 CG ARG A 496 104.063 0.793 0.974 1.00 0.00 C ATOM 917 CD ARG A 496 104.449 1.309 -0.404 1.00 0.00 C ATOM 918 NE ARG A 496 104.504 2.768 -0.447 1.00 0.00 N ATOM 919 CZ ARG A 496 103.465 3.538 -0.758 1.00 0.00 C ATOM 920 NH1 ARG A 496 102.292 2.994 -1.049 1.00 0.00 N ATOM 921 NH2 ARG A 496 103.601 4.857 -0.774 1.00 0.00 N ATOM 0 H ARG A 496 103.260 0.889 3.575 1.00 0.00 H new ATOM 0 HA ARG A 496 105.310 -1.106 2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.409 1.844 2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 496 106.143 0.513 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.685 -0.226 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.254 1.401 1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.420 0.901 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.729 0.952 -1.140 1.00 0.00 H new ATOM 0 HE ARG A 496 105.390 3.222 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 496 102.183 1.980 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 496 101.499 3.589 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 496 104.501 5.280 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 496 102.805 5.449 -1.012 1.00 0.00 H new ATOM 935 N PHE A 497 107.074 -0.394 4.479 1.00 0.00 N ATOM 936 CA PHE A 497 108.046 -0.077 5.522 1.00 0.00 C ATOM 937 C PHE A 497 109.384 0.331 4.914 1.00 0.00 C ATOM 938 O PHE A 497 109.688 -0.009 3.770 1.00 0.00 O ATOM 939 CB PHE A 497 108.242 -1.275 6.452 1.00 0.00 C ATOM 940 CG PHE A 497 107.016 -1.637 7.246 1.00 0.00 C ATOM 941 CD1 PHE A 497 107.083 -1.766 8.623 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.799 -1.851 6.615 1.00 0.00 C ATOM 943 CE1 PHE A 497 105.962 -2.101 9.358 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.674 -2.186 7.346 1.00 0.00 C ATOM 945 CZ PHE A 497 104.756 -2.311 8.719 1.00 0.00 C ATOM 0 H PHE A 497 107.292 -1.232 3.940 1.00 0.00 H new ATOM 0 HA PHE A 497 107.657 0.762 6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.546 -2.137 5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 497 109.058 -1.058 7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 497 108.023 -1.603 9.129 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.730 -1.755 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 497 106.029 -2.199 10.432 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.732 -2.350 6.844 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.879 -2.572 9.292 1.00 0.00 H new ATOM 955 N LYS A 498 110.178 1.068 5.685 1.00 0.00 N ATOM 956 CA LYS A 498 111.481 1.530 5.221 1.00 0.00 C ATOM 957 C LYS A 498 112.550 0.455 5.399 1.00 0.00 C ATOM 958 O LYS A 498 113.604 0.508 4.767 1.00 0.00 O ATOM 959 CB LYS A 498 111.891 2.797 5.976 1.00 0.00 C ATOM 960 CG LYS A 498 112.825 3.699 5.186 1.00 0.00 C ATOM 961 CD LYS A 498 114.274 3.502 5.605 1.00 0.00 C ATOM 962 CE LYS A 498 115.024 4.823 5.652 1.00 0.00 C ATOM 963 NZ LYS A 498 115.343 5.231 7.048 1.00 0.00 N ATOM 0 H LYS A 498 109.941 1.358 6.634 1.00 0.00 H new ATOM 0 HA LYS A 498 111.395 1.752 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.995 3.358 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 498 112.377 2.513 6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 498 112.721 3.490 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 498 112.540 4.740 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 498 114.309 3.027 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 498 114.768 2.827 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 498 115.947 4.737 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 498 114.424 5.598 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 115.854 6.137 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 114.461 5.338 7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 115.937 4.504 7.495 1.00 0.00 H new ATOM 977 N THR A 499 112.277 -0.520 6.263 1.00 0.00 N ATOM 978 CA THR A 499 113.227 -1.598 6.513 1.00 0.00 C ATOM 979 C THR A 499 112.524 -2.945 6.628 1.00 0.00 C ATOM 980 O THR A 499 111.362 -3.022 7.025 1.00 0.00 O ATOM 981 CB THR A 499 114.038 -1.346 7.797 1.00 0.00 C ATOM 982 OG1 THR A 499 113.305 -0.544 8.732 1.00 0.00 O ATOM 983 CG2 THR A 499 115.346 -0.639 7.480 1.00 0.00 C ATOM 0 H THR A 499 111.411 -0.585 6.798 1.00 0.00 H new ATOM 0 HA THR A 499 113.905 -1.620 5.659 1.00 0.00 H new ATOM 0 HB THR A 499 114.240 -2.322 8.239 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.846 -0.403 9.537 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.902 -0.472 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.939 -1.257 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 499 115.136 0.319 7.004 1.00 0.00 H new ATOM 991 N PRO A 500 113.230 -4.029 6.274 1.00 0.00 N ATOM 992 CA PRO A 500 112.683 -5.388 6.328 1.00 0.00 C ATOM 993 C PRO A 500 112.518 -5.895 7.757 1.00 0.00 C ATOM 994 O PRO A 500 111.528 -6.550 8.081 1.00 0.00 O ATOM 995 CB PRO A 500 113.729 -6.218 5.583 1.00 0.00 C ATOM 996 CG PRO A 500 115.001 -5.462 5.748 1.00 0.00 C ATOM 997 CD PRO A 500 114.620 -4.008 5.785 1.00 0.00 C ATOM 0 HA PRO A 500 111.685 -5.443 5.894 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.808 -7.222 6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.469 -6.330 4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.512 -5.754 6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.685 -5.665 4.924 1.00 0.00 H new ATOM 0 HD2 PRO A 500 115.271 -3.439 6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.692 -3.549 4.799 1.00 0.00 H new ATOM 1005 N GLU A 501 113.492 -5.590 8.608 1.00 0.00 N ATOM 1006 CA GLU A 501 113.449 -6.019 10.001 1.00 0.00 C ATOM 1007 C GLU A 501 112.259 -5.395 10.723 1.00 0.00 C ATOM 1008 O GLU A 501 111.634 -6.029 11.574 1.00 0.00 O ATOM 1009 CB GLU A 501 114.747 -5.639 10.715 1.00 0.00 C ATOM 1010 CG GLU A 501 115.960 -5.613 9.799 1.00 0.00 C ATOM 1011 CD GLU A 501 117.219 -6.103 10.487 1.00 0.00 C ATOM 1012 OE1 GLU A 501 117.608 -5.502 11.511 1.00 0.00 O ATOM 1013 OE2 GLU A 501 117.815 -7.087 10.003 1.00 0.00 O ATOM 0 H GLU A 501 114.319 -5.048 8.358 1.00 0.00 H new ATOM 0 HA GLU A 501 113.337 -7.103 10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.626 -4.657 11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 501 114.928 -6.347 11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.764 -6.233 8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 501 116.118 -4.596 9.440 1.00 0.00 H new ATOM 1020 N ASP A 502 111.954 -4.148 10.380 1.00 0.00 N ATOM 1021 CA ASP A 502 110.842 -3.434 10.997 1.00 0.00 C ATOM 1022 C ASP A 502 109.508 -4.110 10.693 1.00 0.00 C ATOM 1023 O ASP A 502 108.645 -4.216 11.565 1.00 0.00 O ATOM 1024 CB ASP A 502 110.810 -1.983 10.513 1.00 0.00 C ATOM 1025 CG ASP A 502 110.964 -0.993 11.650 1.00 0.00 C ATOM 1026 OD1 ASP A 502 111.054 0.221 11.372 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.995 -1.432 12.819 1.00 0.00 O ATOM 0 H ASP A 502 112.462 -3.610 9.677 1.00 0.00 H new ATOM 0 HA ASP A 502 110.994 -3.452 12.076 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.609 -1.827 9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.869 -1.796 9.996 1.00 0.00 H new ATOM 1032 N ALA A 503 109.341 -4.562 9.454 1.00 0.00 N ATOM 1033 CA ALA A 503 108.105 -5.220 9.044 1.00 0.00 C ATOM 1034 C ALA A 503 107.925 -6.547 9.771 1.00 0.00 C ATOM 1035 O ALA A 503 106.830 -6.873 10.231 1.00 0.00 O ATOM 1036 CB ALA A 503 108.082 -5.443 7.538 1.00 0.00 C ATOM 0 H ALA A 503 110.043 -4.485 8.718 1.00 0.00 H new ATOM 0 HA ALA A 503 107.277 -4.563 9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.151 -5.935 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 503 108.154 -4.483 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.925 -6.071 7.250 1.00 0.00 H new ATOM 1042 N GLN A 504 109.007 -7.310 9.871 1.00 0.00 N ATOM 1043 CA GLN A 504 108.972 -8.603 10.543 1.00 0.00 C ATOM 1044 C GLN A 504 108.623 -8.445 12.021 1.00 0.00 C ATOM 1045 O GLN A 504 107.906 -9.267 12.593 1.00 0.00 O ATOM 1046 CB GLN A 504 110.319 -9.312 10.399 1.00 0.00 C ATOM 1047 CG GLN A 504 110.199 -10.822 10.264 1.00 0.00 C ATOM 1048 CD GLN A 504 111.411 -11.554 10.806 1.00 0.00 C ATOM 1049 OE1 GLN A 504 111.580 -11.689 12.017 1.00 0.00 O ATOM 1050 NE2 GLN A 504 112.264 -12.031 9.906 1.00 0.00 N ATOM 0 H GLN A 504 109.920 -7.055 9.495 1.00 0.00 H new ATOM 0 HA GLN A 504 108.197 -9.206 10.070 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.837 -8.917 9.525 1.00 0.00 H new ATOM 0 HB3 GLN A 504 110.937 -9.081 11.267 1.00 0.00 H new ATOM 0 HG2 GLN A 504 109.308 -11.161 10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 504 110.063 -11.080 9.214 1.00 0.00 H new ATOM 0 HE21 GLN A 504 112.084 -11.896 8.911 1.00 0.00 H new ATOM 0 HE22 GLN A 504 113.099 -12.532 10.210 1.00 0.00 H new ATOM 1059 N ALA A 505 109.153 -7.397 12.640 1.00 0.00 N ATOM 1060 CA ALA A 505 108.911 -7.146 14.056 1.00 0.00 C ATOM 1061 C ALA A 505 107.444 -6.823 14.336 1.00 0.00 C ATOM 1062 O ALA A 505 106.884 -7.280 15.332 1.00 0.00 O ATOM 1063 CB ALA A 505 109.796 -6.017 14.560 1.00 0.00 C ATOM 0 H ALA A 505 109.752 -6.708 12.185 1.00 0.00 H new ATOM 0 HA ALA A 505 109.160 -8.063 14.591 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.600 -5.846 15.618 1.00 0.00 H new ATOM 0 HB2 ALA A 505 110.843 -6.287 14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.580 -5.108 13.999 1.00 0.00 H new ATOM 1069 N VAL A 506 106.829 -6.025 13.466 1.00 0.00 N ATOM 1070 CA VAL A 506 105.429 -5.642 13.647 1.00 0.00 C ATOM 1071 C VAL A 506 104.479 -6.816 13.435 1.00 0.00 C ATOM 1072 O VAL A 506 103.536 -7.005 14.202 1.00 0.00 O ATOM 1073 CB VAL A 506 105.030 -4.499 12.692 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.322 -4.880 11.249 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.562 -4.144 12.871 1.00 0.00 C ATOM 0 H VAL A 506 107.273 -5.633 12.635 1.00 0.00 H new ATOM 0 HA VAL A 506 105.341 -5.302 14.679 1.00 0.00 H new ATOM 0 HB VAL A 506 105.626 -3.620 12.937 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.033 -4.060 10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.387 -5.080 11.134 1.00 0.00 H new ATOM 0 HG13 VAL A 506 104.755 -5.773 10.987 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.297 -3.336 12.189 1.00 0.00 H new ATOM 0 HG22 VAL A 506 102.947 -5.018 12.654 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.388 -3.824 13.898 1.00 0.00 H new ATOM 1085 N ILE A 507 104.728 -7.601 12.392 1.00 0.00 N ATOM 1086 CA ILE A 507 103.883 -8.751 12.090 1.00 0.00 C ATOM 1087 C ILE A 507 104.007 -9.826 13.164 1.00 0.00 C ATOM 1088 O ILE A 507 103.023 -10.464 13.536 1.00 0.00 O ATOM 1089 CB ILE A 507 104.224 -9.366 10.720 1.00 0.00 C ATOM 1090 CG1 ILE A 507 105.736 -9.494 10.552 1.00 0.00 C ATOM 1091 CG2 ILE A 507 103.631 -8.525 9.600 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.211 -10.925 10.425 1.00 0.00 C ATOM 0 H ILE A 507 105.504 -7.463 11.744 1.00 0.00 H new ATOM 0 HA ILE A 507 102.857 -8.383 12.065 1.00 0.00 H new ATOM 0 HB ILE A 507 103.788 -10.364 10.670 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.043 -8.938 9.666 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.229 -9.031 11.407 1.00 0.00 H new ATOM 0 HG21 ILE A 507 103.881 -8.972 8.638 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.547 -8.483 9.711 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.039 -7.516 9.648 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.295 -10.940 10.309 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.935 -11.481 11.321 1.00 0.00 H new ATOM 0 HD13 ILE A 507 105.746 -11.387 9.554 1.00 0.00 H new ATOM 1104 N ASN A 508 105.222 -10.008 13.666 1.00 0.00 N ATOM 1105 CA ASN A 508 105.471 -10.993 14.710 1.00 0.00 C ATOM 1106 C ASN A 508 104.845 -10.545 16.025 1.00 0.00 C ATOM 1107 O ASN A 508 104.263 -11.346 16.757 1.00 0.00 O ATOM 1108 CB ASN A 508 106.976 -11.206 14.890 1.00 0.00 C ATOM 1109 CG ASN A 508 107.627 -11.804 13.658 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.028 -12.621 12.960 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.861 -11.395 13.382 1.00 0.00 N ATOM 0 H ASN A 508 106.048 -9.488 13.368 1.00 0.00 H new ATOM 0 HA ASN A 508 105.015 -11.937 14.410 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.450 -10.252 15.121 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.148 -11.862 15.743 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.348 -11.761 12.564 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.321 -10.716 13.988 1.00 0.00 H new ATOM 1118 N ALA A 509 104.971 -9.254 16.311 1.00 0.00 N ATOM 1119 CA ALA A 509 104.422 -8.670 17.529 1.00 0.00 C ATOM 1120 C ALA A 509 102.911 -8.486 17.429 1.00 0.00 C ATOM 1121 O ALA A 509 102.217 -8.380 18.440 1.00 0.00 O ATOM 1122 CB ALA A 509 105.092 -7.340 17.841 1.00 0.00 C ATOM 0 H ALA A 509 105.453 -8.586 15.709 1.00 0.00 H new ATOM 0 HA ALA A 509 104.625 -9.365 18.343 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.666 -6.923 18.754 1.00 0.00 H new ATOM 0 HB2 ALA A 509 106.162 -7.495 17.978 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.928 -6.648 17.015 1.00 0.00 H new ATOM 1128 N TYR A 510 102.413 -8.422 16.198 1.00 0.00 N ATOM 1129 CA TYR A 510 100.989 -8.221 15.951 1.00 0.00 C ATOM 1130 C TYR A 510 100.135 -9.322 16.563 1.00 0.00 C ATOM 1131 O TYR A 510 98.917 -9.178 16.666 1.00 0.00 O ATOM 1132 CB TYR A 510 100.718 -8.140 14.453 1.00 0.00 C ATOM 1133 CG TYR A 510 100.334 -6.757 13.990 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.407 -6.570 12.973 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.904 -5.635 14.573 1.00 0.00 C ATOM 1136 CE1 TYR A 510 99.061 -5.301 12.549 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.563 -4.362 14.157 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.641 -4.201 13.144 1.00 0.00 C ATOM 1139 OH TYR A 510 99.297 -2.936 12.726 1.00 0.00 O ATOM 0 H TYR A 510 102.977 -8.507 15.353 1.00 0.00 H new ATOM 0 HA TYR A 510 100.713 -7.281 16.429 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.607 -8.463 13.912 1.00 0.00 H new ATOM 0 HB3 TYR A 510 99.919 -8.836 14.197 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.949 -7.430 12.506 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.627 -5.758 15.366 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.340 -5.172 11.756 1.00 0.00 H new ATOM 0 HE2 TYR A 510 101.016 -3.499 14.622 1.00 0.00 H new ATOM 0 HH TYR A 510 98.377 -2.740 13.000 1.00 0.00 H new ATOM 1149 N THR A 511 100.761 -10.416 16.980 1.00 0.00 N ATOM 1150 CA THR A 511 100.014 -11.506 17.588 1.00 0.00 C ATOM 1151 C THR A 511 99.100 -10.957 18.673 1.00 0.00 C ATOM 1152 O THR A 511 97.981 -11.430 18.865 1.00 0.00 O ATOM 1153 CB THR A 511 100.952 -12.564 18.201 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.846 -11.978 19.156 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.778 -13.247 17.123 1.00 0.00 C ATOM 0 H THR A 511 101.767 -10.570 16.910 1.00 0.00 H new ATOM 0 HA THR A 511 99.425 -11.985 16.805 1.00 0.00 H new ATOM 0 HB THR A 511 100.319 -13.297 18.701 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.427 -12.673 19.529 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.432 -13.989 17.581 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.114 -13.738 16.412 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.382 -12.504 16.602 1.00 0.00 H new ATOM 1163 N GLU A 512 99.605 -9.957 19.385 1.00 0.00 N ATOM 1164 CA GLU A 512 98.860 -9.328 20.469 1.00 0.00 C ATOM 1165 C GLU A 512 97.507 -8.814 19.989 1.00 0.00 C ATOM 1166 O GLU A 512 96.560 -8.715 20.769 1.00 0.00 O ATOM 1167 CB GLU A 512 99.665 -8.174 21.070 1.00 0.00 C ATOM 1168 CG GLU A 512 98.945 -7.457 22.199 1.00 0.00 C ATOM 1169 CD GLU A 512 99.813 -6.417 22.879 1.00 0.00 C ATOM 1170 OE1 GLU A 512 99.840 -6.390 24.128 1.00 0.00 O ATOM 1171 OE2 GLU A 512 100.466 -5.629 22.163 1.00 0.00 O ATOM 0 H GLU A 512 100.533 -9.562 19.230 1.00 0.00 H new ATOM 0 HA GLU A 512 98.688 -10.086 21.233 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.615 -8.559 21.442 1.00 0.00 H new ATOM 0 HB3 GLU A 512 99.898 -7.456 20.284 1.00 0.00 H new ATOM 0 HG2 GLU A 512 98.049 -6.976 21.806 1.00 0.00 H new ATOM 0 HG3 GLU A 512 98.616 -8.189 22.937 1.00 0.00 H new ATOM 1178 N ILE A 513 97.422 -8.483 18.705 1.00 0.00 N ATOM 1179 CA ILE A 513 96.180 -7.974 18.137 1.00 0.00 C ATOM 1180 C ILE A 513 95.016 -8.915 18.425 1.00 0.00 C ATOM 1181 O ILE A 513 93.943 -8.478 18.840 1.00 0.00 O ATOM 1182 CB ILE A 513 96.298 -7.770 16.615 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.477 -6.849 16.293 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.004 -7.195 16.057 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.151 -5.379 16.442 1.00 0.00 C ATOM 0 H ILE A 513 98.193 -8.557 18.042 1.00 0.00 H new ATOM 0 HA ILE A 513 95.989 -7.011 18.610 1.00 0.00 H new ATOM 0 HB ILE A 513 96.477 -8.737 16.145 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.311 -7.097 16.949 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.808 -7.038 15.272 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.102 -7.056 14.980 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.183 -7.882 16.261 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.799 -6.234 16.530 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.032 -4.785 16.198 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.337 -5.116 15.766 1.00 0.00 H new ATOM 0 HD13 ILE A 513 96.849 -5.176 17.469 1.00 0.00 H new ATOM 1197 N ASN A 514 95.229 -10.208 18.198 1.00 0.00 N ATOM 1198 CA ASN A 514 94.191 -11.206 18.432 1.00 0.00 C ATOM 1199 C ASN A 514 93.468 -10.944 19.749 1.00 0.00 C ATOM 1200 O ASN A 514 92.275 -11.219 19.878 1.00 0.00 O ATOM 1201 CB ASN A 514 94.799 -12.610 18.445 1.00 0.00 C ATOM 1202 CG ASN A 514 93.752 -13.696 18.599 1.00 0.00 C ATOM 1203 OD1 ASN A 514 93.958 -14.676 19.314 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.619 -13.527 17.925 1.00 0.00 N ATOM 0 H ASN A 514 96.110 -10.589 17.853 1.00 0.00 H new ATOM 0 HA ASN A 514 93.467 -11.136 17.620 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.352 -12.771 17.519 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.517 -12.684 19.262 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.878 -14.225 17.989 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.490 -12.699 17.344 1.00 0.00 H new ATOM 1211 N LYS A 515 94.195 -10.405 20.721 1.00 0.00 N ATOM 1212 CA LYS A 515 93.616 -10.102 22.022 1.00 0.00 C ATOM 1213 C LYS A 515 92.280 -9.391 21.854 1.00 0.00 C ATOM 1214 O LYS A 515 91.405 -9.474 22.717 1.00 0.00 O ATOM 1215 CB LYS A 515 94.574 -9.235 22.841 1.00 0.00 C ATOM 1216 CG LYS A 515 95.860 -9.948 23.226 1.00 0.00 C ATOM 1217 CD LYS A 515 96.062 -9.955 24.732 1.00 0.00 C ATOM 1218 CE LYS A 515 97.467 -10.402 25.103 1.00 0.00 C ATOM 1219 NZ LYS A 515 97.531 -11.865 25.372 1.00 0.00 N ATOM 0 H LYS A 515 95.184 -10.170 20.632 1.00 0.00 H new ATOM 0 HA LYS A 515 93.450 -11.039 22.554 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.821 -8.341 22.269 1.00 0.00 H new ATOM 0 HB3 LYS A 515 94.067 -8.903 23.747 1.00 0.00 H new ATOM 0 HG2 LYS A 515 95.834 -10.973 22.856 1.00 0.00 H new ATOM 0 HG3 LYS A 515 96.707 -9.458 22.746 1.00 0.00 H new ATOM 0 HD2 LYS A 515 95.880 -8.956 25.129 1.00 0.00 H new ATOM 0 HD3 LYS A 515 95.333 -10.620 25.195 1.00 0.00 H new ATOM 0 HE2 LYS A 515 98.153 -10.151 24.294 1.00 0.00 H new ATOM 0 HE3 LYS A 515 97.801 -9.856 25.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 98.505 -12.130 25.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 96.895 -12.101 26.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 97.237 -12.387 24.522 1.00 0.00 H new ATOM 1233 N LYS A 516 92.129 -8.699 20.729 1.00 0.00 N ATOM 1234 CA LYS A 516 90.899 -7.977 20.432 1.00 0.00 C ATOM 1235 C LYS A 516 90.297 -8.466 19.117 1.00 0.00 C ATOM 1236 O LYS A 516 89.087 -8.661 19.010 1.00 0.00 O ATOM 1237 CB LYS A 516 91.170 -6.473 20.365 1.00 0.00 C ATOM 1238 CG LYS A 516 89.911 -5.636 20.222 1.00 0.00 C ATOM 1239 CD LYS A 516 89.268 -5.360 21.572 1.00 0.00 C ATOM 1240 CE LYS A 516 88.215 -6.403 21.906 1.00 0.00 C ATOM 1241 NZ LYS A 516 86.916 -6.115 21.240 1.00 0.00 N ATOM 0 H LYS A 516 92.846 -8.624 20.007 1.00 0.00 H new ATOM 0 HA LYS A 516 90.184 -8.168 21.232 1.00 0.00 H new ATOM 0 HB2 LYS A 516 91.700 -6.167 21.267 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.831 -6.268 19.522 1.00 0.00 H new ATOM 0 HG2 LYS A 516 90.154 -4.692 19.734 1.00 0.00 H new ATOM 0 HG3 LYS A 516 89.200 -6.154 19.578 1.00 0.00 H new ATOM 0 HD2 LYS A 516 90.034 -5.353 22.347 1.00 0.00 H new ATOM 0 HD3 LYS A 516 88.812 -4.370 21.565 1.00 0.00 H new ATOM 0 HE2 LYS A 516 88.569 -7.387 21.600 1.00 0.00 H new ATOM 0 HE3 LYS A 516 88.069 -6.438 22.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 86.225 -6.850 21.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 86.564 -5.187 21.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 87.049 -6.106 20.209 1.00 0.00 H new ATOM 1255 N HIS A 517 91.157 -8.674 18.125 1.00 0.00 N ATOM 1256 CA HIS A 517 90.723 -9.157 16.816 1.00 0.00 C ATOM 1257 C HIS A 517 91.809 -10.009 16.168 1.00 0.00 C ATOM 1258 O HIS A 517 92.977 -9.618 16.133 1.00 0.00 O ATOM 1259 CB HIS A 517 90.375 -7.993 15.885 1.00 0.00 C ATOM 1260 CG HIS A 517 90.020 -6.724 16.592 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.730 -6.402 16.955 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.791 -5.683 16.984 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.722 -5.217 17.538 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.960 -4.759 17.568 1.00 0.00 N ATOM 0 H HIS A 517 92.162 -8.515 18.202 1.00 0.00 H new ATOM 0 HA HIS A 517 89.831 -9.764 16.973 1.00 0.00 H new ATOM 0 HB2 HIS A 517 91.223 -7.803 15.227 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.539 -8.288 15.251 1.00 0.00 H new ATOM 0 HD1 HIS A 517 87.910 -6.987 16.798 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.860 -5.595 16.861 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.851 -4.709 17.925 1.00 0.00 H new ATOM 1273 N CYS A 518 91.420 -11.167 15.644 1.00 0.00 N ATOM 1274 CA CYS A 518 92.365 -12.059 14.985 1.00 0.00 C ATOM 1275 C CYS A 518 92.816 -11.460 13.659 1.00 0.00 C ATOM 1276 O CYS A 518 92.187 -11.674 12.622 1.00 0.00 O ATOM 1277 CB CYS A 518 91.731 -13.431 14.752 1.00 0.00 C ATOM 1278 SG CYS A 518 92.886 -14.814 14.897 1.00 0.00 S ATOM 0 H CYS A 518 90.459 -11.508 15.663 1.00 0.00 H new ATOM 0 HA CYS A 518 93.234 -12.182 15.631 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.922 -13.571 15.468 1.00 0.00 H new ATOM 0 HB3 CYS A 518 91.284 -13.448 13.758 1.00 0.00 H new ATOM 0 HG CYS A 518 92.255 -15.931 14.685 1.00 0.00 H new ATOM 1284 N TRP A 519 93.899 -10.691 13.702 1.00 0.00 N ATOM 1285 CA TRP A 519 94.421 -10.040 12.507 1.00 0.00 C ATOM 1286 C TRP A 519 95.393 -10.927 11.749 1.00 0.00 C ATOM 1287 O TRP A 519 96.094 -11.757 12.329 1.00 0.00 O ATOM 1288 CB TRP A 519 95.103 -8.726 12.873 1.00 0.00 C ATOM 1289 CG TRP A 519 94.668 -7.591 12.003 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.879 -7.672 10.891 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.995 -6.209 12.165 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.695 -6.431 10.355 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.369 -5.509 11.118 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.756 -5.495 13.097 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.482 -4.128 10.976 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.866 -4.126 12.954 1.00 0.00 C ATOM 1297 CH2 TRP A 519 95.231 -3.455 11.903 1.00 0.00 C ATOM 0 H TRP A 519 94.432 -10.504 14.551 1.00 0.00 H new ATOM 0 HA TRP A 519 93.571 -9.843 11.853 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.885 -8.485 13.914 1.00 0.00 H new ATOM 0 HB3 TRP A 519 96.183 -8.847 12.793 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.462 -8.585 10.494 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.145 -6.222 9.522 1.00 0.00 H new ATOM 0 HE3 TRP A 519 96.248 -6.005 13.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.996 -3.607 10.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 96.452 -3.563 13.666 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.334 -2.383 11.822 1.00 0.00 H new ATOM 1308 N LYS A 520 95.418 -10.731 10.440 1.00 0.00 N ATOM 1309 CA LYS A 520 96.286 -11.485 9.552 1.00 0.00 C ATOM 1310 C LYS A 520 97.400 -10.594 9.015 1.00 0.00 C ATOM 1311 O LYS A 520 97.135 -9.513 8.490 1.00 0.00 O ATOM 1312 CB LYS A 520 95.467 -12.029 8.391 1.00 0.00 C ATOM 1313 CG LYS A 520 94.074 -12.489 8.793 1.00 0.00 C ATOM 1314 CD LYS A 520 94.133 -13.681 9.735 1.00 0.00 C ATOM 1315 CE LYS A 520 93.156 -13.533 10.890 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.696 -14.853 11.400 1.00 0.00 N ATOM 0 H LYS A 520 94.835 -10.043 9.963 1.00 0.00 H new ATOM 0 HA LYS A 520 96.733 -12.309 10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.379 -11.258 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.001 -12.866 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.543 -11.668 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.506 -12.756 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 520 93.908 -14.593 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.145 -13.787 10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.631 -12.977 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.295 -12.949 10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.717 -15.022 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 93.310 -15.603 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 92.739 -14.858 12.439 1.00 0.00 H new ATOM 1330 N LEU A 521 98.641 -11.046 9.140 1.00 0.00 N ATOM 1331 CA LEU A 521 99.773 -10.268 8.655 1.00 0.00 C ATOM 1332 C LEU A 521 100.731 -11.125 7.837 1.00 0.00 C ATOM 1333 O LEU A 521 101.228 -12.147 8.311 1.00 0.00 O ATOM 1334 CB LEU A 521 100.524 -9.629 9.824 1.00 0.00 C ATOM 1335 CG LEU A 521 99.643 -8.921 10.854 1.00 0.00 C ATOM 1336 CD1 LEU A 521 98.527 -8.151 10.164 1.00 0.00 C ATOM 1337 CD2 LEU A 521 99.068 -9.924 11.842 1.00 0.00 C ATOM 0 H LEU A 521 98.888 -11.938 9.569 1.00 0.00 H new ATOM 0 HA LEU A 521 99.378 -9.485 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 521 101.099 -10.403 10.332 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.240 -8.910 9.426 1.00 0.00 H new ATOM 0 HG LEU A 521 100.260 -8.211 11.404 1.00 0.00 H new ATOM 0 HD11 LEU A 521 97.911 -7.654 10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 521 98.958 -7.405 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 521 97.911 -8.841 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 521 98.444 -9.403 12.568 1.00 0.00 H new ATOM 0 HD22 LEU A 521 98.466 -10.658 11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 521 99.882 -10.431 12.361 1.00 0.00 H new ATOM 1349 N GLU A 522 100.989 -10.693 6.609 1.00 0.00 N ATOM 1350 CA GLU A 522 101.894 -11.406 5.719 1.00 0.00 C ATOM 1351 C GLU A 522 102.751 -10.424 4.928 1.00 0.00 C ATOM 1352 O GLU A 522 102.253 -9.419 4.423 1.00 0.00 O ATOM 1353 CB GLU A 522 101.108 -12.302 4.761 1.00 0.00 C ATOM 1354 CG GLU A 522 101.848 -13.570 4.373 1.00 0.00 C ATOM 1355 CD GLU A 522 102.118 -14.473 5.561 1.00 0.00 C ATOM 1356 OE1 GLU A 522 101.573 -14.198 6.650 1.00 0.00 O ATOM 1357 OE2 GLU A 522 102.873 -15.454 5.401 1.00 0.00 O ATOM 0 H GLU A 522 100.582 -9.849 6.206 1.00 0.00 H new ATOM 0 HA GLU A 522 102.548 -12.031 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.159 -12.572 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.873 -11.738 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 522 101.263 -14.115 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.794 -13.304 3.901 1.00 0.00 H new ATOM 1364 N ILE A 523 104.040 -10.724 4.819 1.00 0.00 N ATOM 1365 CA ILE A 523 104.958 -9.866 4.081 1.00 0.00 C ATOM 1366 C ILE A 523 105.089 -10.341 2.637 1.00 0.00 C ATOM 1367 O ILE A 523 105.517 -11.466 2.379 1.00 0.00 O ATOM 1368 CB ILE A 523 106.350 -9.820 4.749 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.299 -8.967 6.016 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.393 -9.274 3.784 1.00 0.00 C ATOM 1371 CD1 ILE A 523 106.808 -9.683 7.248 1.00 0.00 C ATOM 0 H ILE A 523 104.471 -11.552 5.231 1.00 0.00 H new ATOM 0 HA ILE A 523 104.544 -8.858 4.090 1.00 0.00 H new ATOM 0 HB ILE A 523 106.636 -10.836 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.890 -8.064 5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.271 -8.649 6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.366 -9.250 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.446 -9.916 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.115 -8.265 3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 523 106.742 -9.018 8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 523 106.202 -10.571 7.429 1.00 0.00 H new ATOM 0 HD13 ILE A 523 107.846 -9.977 7.095 1.00 0.00 H new ATOM 1383 N LEU A 524 104.712 -9.475 1.699 1.00 0.00 N ATOM 1384 CA LEU A 524 104.783 -9.807 0.281 1.00 0.00 C ATOM 1385 C LEU A 524 106.198 -10.212 -0.113 1.00 0.00 C ATOM 1386 O LEU A 524 107.174 -9.585 0.301 1.00 0.00 O ATOM 1387 CB LEU A 524 104.320 -8.623 -0.568 1.00 0.00 C ATOM 1388 CG LEU A 524 102.873 -8.187 -0.337 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.392 -7.306 -1.480 1.00 0.00 C ATOM 1390 CD2 LEU A 524 101.969 -9.402 -0.184 1.00 0.00 C ATOM 0 H LEU A 524 104.355 -8.540 1.896 1.00 0.00 H new ATOM 0 HA LEU A 524 104.120 -10.653 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.975 -7.775 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 524 104.442 -8.880 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 524 102.831 -7.607 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.360 -7.005 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.022 -6.419 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 524 102.449 -7.861 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 524 100.943 -9.074 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.016 -10.007 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.300 -9.997 0.667 1.00 0.00 H new ATOM 1402 N SER A 525 106.302 -11.272 -0.908 1.00 0.00 N ATOM 1403 CA SER A 525 107.595 -11.777 -1.352 1.00 0.00 C ATOM 1404 C SER A 525 107.521 -12.291 -2.785 1.00 0.00 C ATOM 1405 O SER A 525 106.439 -12.566 -3.303 1.00 0.00 O ATOM 1406 CB SER A 525 108.079 -12.888 -0.418 1.00 0.00 C ATOM 1407 OG SER A 525 107.997 -14.155 -1.048 1.00 0.00 O ATOM 0 H SER A 525 105.502 -11.799 -1.259 1.00 0.00 H new ATOM 0 HA SER A 525 108.307 -10.953 -1.323 1.00 0.00 H new ATOM 0 HB2 SER A 525 109.109 -12.693 -0.119 1.00 0.00 H new ATOM 0 HB3 SER A 525 107.478 -12.891 0.491 1.00 0.00 H new ATOM 0 HG SER A 525 108.313 -14.848 -0.431 1.00 0.00 H new ATOM 1413 N GLY A 526 108.681 -12.418 -3.419 1.00 0.00 N ATOM 1414 CA GLY A 526 108.731 -12.903 -4.784 1.00 0.00 C ATOM 1415 C GLY A 526 107.814 -12.132 -5.711 1.00 0.00 C ATOM 1416 O GLY A 526 107.662 -10.918 -5.577 1.00 0.00 O ATOM 0 H GLY A 526 109.588 -12.193 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 526 109.755 -12.835 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 526 108.456 -13.957 -4.801 1.00 0.00 H new ATOM 1420 N ASP A 527 107.205 -12.840 -6.654 1.00 0.00 N ATOM 1421 CA ASP A 527 106.301 -12.215 -7.612 1.00 0.00 C ATOM 1422 C ASP A 527 105.201 -11.438 -6.899 1.00 0.00 C ATOM 1423 O ASP A 527 104.695 -10.446 -7.421 1.00 0.00 O ATOM 1424 CB ASP A 527 105.681 -13.276 -8.523 1.00 0.00 C ATOM 1425 CG ASP A 527 106.183 -13.180 -9.951 1.00 0.00 C ATOM 1426 OD1 ASP A 527 107.045 -12.318 -10.222 1.00 0.00 O ATOM 1427 OD2 ASP A 527 105.715 -13.969 -10.799 1.00 0.00 O ATOM 0 H ASP A 527 107.320 -13.846 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 527 106.880 -11.516 -8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 527 105.907 -14.266 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 527 104.596 -13.169 -8.515 1.00 0.00 H new ATOM 1432 N HIS A 528 104.828 -11.894 -5.706 1.00 0.00 N ATOM 1433 CA HIS A 528 103.783 -11.230 -4.937 1.00 0.00 C ATOM 1434 C HIS A 528 104.204 -9.818 -4.537 1.00 0.00 C ATOM 1435 O HIS A 528 103.439 -8.866 -4.697 1.00 0.00 O ATOM 1436 CB HIS A 528 103.443 -12.044 -3.687 1.00 0.00 C ATOM 1437 CG HIS A 528 101.995 -11.985 -3.311 1.00 0.00 C ATOM 1438 ND1 HIS A 528 101.509 -12.460 -2.111 1.00 0.00 N ATOM 1439 CD2 HIS A 528 100.925 -11.499 -3.983 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.203 -12.270 -2.061 1.00 0.00 C ATOM 1441 NE2 HIS A 528 99.824 -11.689 -3.184 1.00 0.00 N ATOM 0 H HIS A 528 105.231 -12.715 -5.255 1.00 0.00 H new ATOM 0 HA HIS A 528 102.899 -11.158 -5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 528 103.725 -13.084 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.042 -11.680 -2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 528 100.935 -11.047 -4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 528 99.555 -12.543 -1.241 1.00 0.00 H new ATOM 0 HE2 HIS A 528 98.868 -11.424 -3.420 1.00 0.00 H new ATOM 1450 N GLU A 529 105.426 -9.685 -4.027 1.00 0.00 N ATOM 1451 CA GLU A 529 105.936 -8.379 -3.619 1.00 0.00 C ATOM 1452 C GLU A 529 106.139 -7.478 -4.829 1.00 0.00 C ATOM 1453 O GLU A 529 105.745 -6.311 -4.825 1.00 0.00 O ATOM 1454 CB GLU A 529 107.253 -8.540 -2.856 1.00 0.00 C ATOM 1455 CG GLU A 529 108.093 -7.274 -2.821 1.00 0.00 C ATOM 1456 CD GLU A 529 109.260 -7.374 -1.857 1.00 0.00 C ATOM 1457 OE1 GLU A 529 110.417 -7.408 -2.328 1.00 0.00 O ATOM 1458 OE2 GLU A 529 109.017 -7.417 -0.634 1.00 0.00 O ATOM 0 H GLU A 529 106.076 -10.458 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 529 105.201 -7.914 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.036 -8.851 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.834 -9.339 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.470 -7.065 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.462 -6.432 -2.536 1.00 0.00 H new ATOM 1465 N GLN A 530 106.753 -8.033 -5.867 1.00 0.00 N ATOM 1466 CA GLN A 530 107.005 -7.285 -7.092 1.00 0.00 C ATOM 1467 C GLN A 530 105.692 -6.874 -7.750 1.00 0.00 C ATOM 1468 O GLN A 530 105.561 -5.761 -8.260 1.00 0.00 O ATOM 1469 CB GLN A 530 107.839 -8.120 -8.065 1.00 0.00 C ATOM 1470 CG GLN A 530 108.107 -7.424 -9.390 1.00 0.00 C ATOM 1471 CD GLN A 530 107.556 -8.193 -10.574 1.00 0.00 C ATOM 1472 OE1 GLN A 530 108.274 -8.479 -11.532 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.273 -8.532 -10.514 1.00 0.00 N ATOM 0 H GLN A 530 107.085 -8.997 -5.885 1.00 0.00 H new ATOM 0 HA GLN A 530 107.562 -6.385 -6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 530 108.791 -8.367 -7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 530 107.324 -9.061 -8.256 1.00 0.00 H new ATOM 0 HG2 GLN A 530 107.663 -6.429 -9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 530 109.182 -7.291 -9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 530 105.715 -8.274 -9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 530 105.846 -9.050 -11.282 1.00 0.00 H new ATOM 1482 N ARG A 531 104.723 -7.782 -7.730 1.00 0.00 N ATOM 1483 CA ARG A 531 103.415 -7.524 -8.319 1.00 0.00 C ATOM 1484 C ARG A 531 102.785 -6.275 -7.714 1.00 0.00 C ATOM 1485 O ARG A 531 102.429 -5.340 -8.431 1.00 0.00 O ATOM 1486 CB ARG A 531 102.495 -8.728 -8.111 1.00 0.00 C ATOM 1487 CG ARG A 531 101.101 -8.540 -8.685 1.00 0.00 C ATOM 1488 CD ARG A 531 100.034 -9.071 -7.741 1.00 0.00 C ATOM 1489 NE ARG A 531 98.770 -9.325 -8.427 1.00 0.00 N ATOM 1490 CZ ARG A 531 98.585 -10.323 -9.285 1.00 0.00 C ATOM 1491 NH1 ARG A 531 99.581 -11.151 -9.566 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.404 -10.492 -9.865 1.00 0.00 N ATOM 0 H ARG A 531 104.820 -8.707 -7.310 1.00 0.00 H new ATOM 0 HA ARG A 531 103.549 -7.359 -9.388 1.00 0.00 H new ATOM 0 HB2 ARG A 531 102.951 -9.606 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 531 102.414 -8.931 -7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 531 100.925 -7.482 -8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.029 -9.054 -9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 531 100.386 -9.993 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 531 99.872 -8.353 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 531 97.985 -8.702 -8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 531 100.491 -11.023 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 531 99.437 -11.916 -10.225 1.00 0.00 H new ATOM 0 HH21 ARG A 531 96.636 -9.855 -9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.264 -11.259 -10.523 1.00 0.00 H new ATOM 1506 N TYR A 532 102.649 -6.266 -6.392 1.00 0.00 N ATOM 1507 CA TYR A 532 102.061 -5.128 -5.698 1.00 0.00 C ATOM 1508 C TYR A 532 102.792 -3.841 -6.060 1.00 0.00 C ATOM 1509 O TYR A 532 102.169 -2.810 -6.328 1.00 0.00 O ATOM 1510 CB TYR A 532 102.115 -5.358 -4.186 1.00 0.00 C ATOM 1511 CG TYR A 532 101.560 -4.213 -3.372 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.338 -3.102 -3.088 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.261 -4.248 -2.884 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.839 -2.054 -2.338 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.753 -3.203 -2.136 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.546 -2.109 -1.865 1.00 0.00 C ATOM 1517 OH TYR A 532 100.044 -1.067 -1.118 1.00 0.00 O ATOM 0 H TYR A 532 102.937 -7.031 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 532 101.021 -5.030 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.559 -6.264 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.150 -5.532 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.351 -3.054 -3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.638 -5.105 -3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 532 102.459 -1.196 -2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.739 -3.243 -1.766 1.00 0.00 H new ATOM 0 HH TYR A 532 99.637 -0.404 -1.714 1.00 0.00 H new ATOM 1527 N TRP A 533 104.117 -3.906 -6.081 1.00 0.00 N ATOM 1528 CA TRP A 533 104.923 -2.745 -6.426 1.00 0.00 C ATOM 1529 C TRP A 533 104.641 -2.300 -7.853 1.00 0.00 C ATOM 1530 O TRP A 533 104.544 -1.105 -8.132 1.00 0.00 O ATOM 1531 CB TRP A 533 106.405 -3.043 -6.228 1.00 0.00 C ATOM 1532 CG TRP A 533 106.859 -2.713 -4.844 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.225 -3.592 -3.868 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.969 -1.405 -4.274 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.556 -2.910 -2.724 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.410 -1.564 -2.949 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.740 -0.114 -4.758 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.623 -0.479 -2.101 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.953 0.961 -3.916 1.00 0.00 C ATOM 1540 CH2 TRP A 533 107.391 0.773 -2.601 1.00 0.00 C ATOM 0 H TRP A 533 104.653 -4.746 -5.864 1.00 0.00 H new ATOM 0 HA TRP A 533 104.651 -1.927 -5.759 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.594 -4.097 -6.430 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.990 -2.471 -6.948 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.251 -4.666 -3.979 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.861 -3.335 -1.848 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.403 0.041 -5.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.959 -0.622 -1.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.778 1.963 -4.279 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.549 1.633 -1.968 1.00 0.00 H new ATOM 1551 N GLN A 534 104.487 -3.266 -8.751 1.00 0.00 N ATOM 1552 CA GLN A 534 104.192 -2.962 -10.142 1.00 0.00 C ATOM 1553 C GLN A 534 102.998 -2.025 -10.213 1.00 0.00 C ATOM 1554 O GLN A 534 103.002 -1.044 -10.956 1.00 0.00 O ATOM 1555 CB GLN A 534 103.893 -4.243 -10.921 1.00 0.00 C ATOM 1556 CG GLN A 534 105.023 -5.258 -10.883 1.00 0.00 C ATOM 1557 CD GLN A 534 105.289 -5.887 -12.237 1.00 0.00 C ATOM 1558 OE1 GLN A 534 104.376 -6.387 -12.891 1.00 0.00 O ATOM 1559 NE2 GLN A 534 106.547 -5.864 -12.663 1.00 0.00 N ATOM 0 H GLN A 534 104.561 -4.261 -8.540 1.00 0.00 H new ATOM 0 HA GLN A 534 105.062 -2.481 -10.589 1.00 0.00 H new ATOM 0 HB2 GLN A 534 102.991 -4.702 -10.517 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.682 -3.986 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 534 105.931 -4.771 -10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 534 104.779 -6.041 -10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 534 107.273 -5.438 -12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 534 106.787 -6.272 -13.566 1.00 0.00 H new ATOM 1568 N LYS A 535 101.982 -2.332 -9.414 1.00 0.00 N ATOM 1569 CA LYS A 535 100.780 -1.517 -9.360 1.00 0.00 C ATOM 1570 C LYS A 535 101.123 -0.118 -8.855 1.00 0.00 C ATOM 1571 O LYS A 535 100.599 0.878 -9.353 1.00 0.00 O ATOM 1572 CB LYS A 535 99.731 -2.190 -8.462 1.00 0.00 C ATOM 1573 CG LYS A 535 98.937 -1.227 -7.593 1.00 0.00 C ATOM 1574 CD LYS A 535 99.629 -0.989 -6.261 1.00 0.00 C ATOM 1575 CE LYS A 535 98.933 -1.733 -5.133 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.599 -1.149 -4.823 1.00 0.00 N ATOM 0 H LYS A 535 101.970 -3.142 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 535 100.359 -1.423 -10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.038 -2.749 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.232 -2.913 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.814 -0.279 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 535 97.938 -1.628 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.668 -1.313 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.641 0.079 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.815 -2.781 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.558 -1.706 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.299 -1.452 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 97.659 -0.111 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 96.905 -1.475 -5.526 1.00 0.00 H new ATOM 1590 N ILE A 536 102.017 -0.050 -7.868 1.00 0.00 N ATOM 1591 CA ILE A 536 102.435 1.231 -7.309 1.00 0.00 C ATOM 1592 C ILE A 536 103.136 2.082 -8.363 1.00 0.00 C ATOM 1593 O ILE A 536 102.630 3.127 -8.770 1.00 0.00 O ATOM 1594 CB ILE A 536 103.392 1.052 -6.114 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.757 0.179 -5.030 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.776 2.409 -5.543 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.531 0.183 -3.728 1.00 0.00 C ATOM 0 H ILE A 536 102.462 -0.863 -7.443 1.00 0.00 H new ATOM 0 HA ILE A 536 101.528 1.730 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 536 104.292 0.550 -6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.741 0.527 -4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.681 -0.845 -5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 536 104.452 2.271 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 536 104.272 3.000 -6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.879 2.930 -5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 536 103.027 -0.456 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.539 -0.193 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.585 1.200 -3.340 1.00 0.00 H new ATOM 1609 N LEU A 537 104.310 1.628 -8.796 1.00 0.00 N ATOM 1610 CA LEU A 537 105.086 2.349 -9.799 1.00 0.00 C ATOM 1611 C LEU A 537 104.245 2.647 -11.034 1.00 0.00 C ATOM 1612 O LEU A 537 104.144 3.796 -11.464 1.00 0.00 O ATOM 1613 CB LEU A 537 106.328 1.546 -10.191 1.00 0.00 C ATOM 1614 CG LEU A 537 107.628 2.001 -9.526 1.00 0.00 C ATOM 1615 CD1 LEU A 537 108.521 0.808 -9.224 1.00 0.00 C ATOM 1616 CD2 LEU A 537 108.355 3.004 -10.409 1.00 0.00 C ATOM 0 H LEU A 537 104.743 0.765 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 537 105.399 3.297 -9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 537 106.158 0.498 -9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 537 106.452 1.602 -11.273 1.00 0.00 H new ATOM 0 HG LEU A 537 107.380 2.489 -8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 537 109.441 1.152 -8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 537 108.001 0.125 -8.552 1.00 0.00 H new ATOM 0 HD13 LEU A 537 108.762 0.290 -10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 537 109.278 3.317 -9.920 1.00 0.00 H new ATOM 0 HD22 LEU A 537 108.591 2.541 -11.367 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.718 3.873 -10.573 1.00 0.00 H new ATOM 1628 N VAL A 538 103.643 1.608 -11.603 1.00 0.00 N ATOM 1629 CA VAL A 538 102.812 1.770 -12.789 1.00 0.00 C ATOM 1630 C VAL A 538 101.740 2.829 -12.561 1.00 0.00 C ATOM 1631 O VAL A 538 101.436 3.623 -13.453 1.00 0.00 O ATOM 1632 CB VAL A 538 102.133 0.445 -13.186 1.00 0.00 C ATOM 1633 CG1 VAL A 538 101.066 0.686 -14.243 1.00 0.00 C ATOM 1634 CG2 VAL A 538 103.165 -0.557 -13.680 1.00 0.00 C ATOM 0 H VAL A 538 103.715 0.649 -11.263 1.00 0.00 H new ATOM 0 HA VAL A 538 103.470 2.087 -13.598 1.00 0.00 H new ATOM 0 HB VAL A 538 101.649 0.028 -12.303 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.598 -0.261 -14.510 1.00 0.00 H new ATOM 0 HG12 VAL A 538 100.310 1.366 -13.849 1.00 0.00 H new ATOM 0 HG13 VAL A 538 101.524 1.127 -15.128 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.667 -1.486 -13.956 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.680 -0.150 -14.550 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.889 -0.754 -12.889 1.00 0.00 H new ATOM 1644 N ASP A 539 101.175 2.844 -11.357 1.00 0.00 N ATOM 1645 CA ASP A 539 100.143 3.815 -11.015 1.00 0.00 C ATOM 1646 C ASP A 539 100.708 5.229 -11.042 1.00 0.00 C ATOM 1647 O ASP A 539 100.038 6.170 -11.473 1.00 0.00 O ATOM 1648 CB ASP A 539 99.562 3.511 -9.632 1.00 0.00 C ATOM 1649 CG ASP A 539 98.388 4.408 -9.290 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.234 3.947 -9.414 1.00 0.00 O ATOM 1651 OD2 ASP A 539 98.622 5.570 -8.898 1.00 0.00 O ATOM 0 H ASP A 539 101.414 2.197 -10.605 1.00 0.00 H new ATOM 0 HA ASP A 539 99.347 3.742 -11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 539 99.243 2.469 -9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 539 100.340 3.632 -8.879 1.00 0.00 H new ATOM 1656 N ARG A 540 101.948 5.372 -10.588 1.00 0.00 N ATOM 1657 CA ARG A 540 102.606 6.671 -10.569 1.00 0.00 C ATOM 1658 C ARG A 540 102.755 7.212 -11.986 1.00 0.00 C ATOM 1659 O ARG A 540 102.548 8.400 -12.233 1.00 0.00 O ATOM 1660 CB ARG A 540 103.975 6.565 -9.894 1.00 0.00 C ATOM 1661 CG ARG A 540 103.902 6.105 -8.448 1.00 0.00 C ATOM 1662 CD ARG A 540 103.002 7.011 -7.622 1.00 0.00 C ATOM 1663 NE ARG A 540 102.978 6.625 -6.213 1.00 0.00 N ATOM 1664 CZ ARG A 540 102.422 7.362 -5.256 1.00 0.00 C ATOM 1665 NH1 ARG A 540 101.851 8.520 -5.556 1.00 0.00 N ATOM 1666 NH2 ARG A 540 102.439 6.943 -3.998 1.00 0.00 N ATOM 0 H ARG A 540 102.516 4.605 -10.229 1.00 0.00 H new ATOM 0 HA ARG A 540 101.989 7.363 -9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 540 104.597 5.869 -10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 540 104.467 7.537 -9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 540 103.526 5.083 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 540 104.903 6.094 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 540 103.347 8.041 -7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 540 101.989 6.979 -8.024 1.00 0.00 H new ATOM 0 HE ARG A 540 103.412 5.741 -5.949 1.00 0.00 H new ATOM 0 HH11 ARG A 540 101.838 8.847 -6.522 1.00 0.00 H new ATOM 0 HH12 ARG A 540 101.425 9.084 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 540 102.879 6.054 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 540 102.012 7.510 -3.266 1.00 0.00 H new ATOM 1680 N GLN A 541 103.106 6.329 -12.917 1.00 0.00 N ATOM 1681 CA GLN A 541 103.272 6.717 -14.312 1.00 0.00 C ATOM 1682 C GLN A 541 101.952 7.219 -14.886 1.00 0.00 C ATOM 1683 O GLN A 541 101.913 8.224 -15.596 1.00 0.00 O ATOM 1684 CB GLN A 541 103.780 5.535 -15.138 1.00 0.00 C ATOM 1685 CG GLN A 541 105.271 5.282 -14.988 1.00 0.00 C ATOM 1686 CD GLN A 541 105.574 3.896 -14.455 1.00 0.00 C ATOM 1687 OE1 GLN A 541 104.953 2.913 -14.861 1.00 0.00 O ATOM 1688 NE2 GLN A 541 106.533 3.810 -13.541 1.00 0.00 N ATOM 0 H GLN A 541 103.280 5.342 -12.730 1.00 0.00 H new ATOM 0 HA GLN A 541 104.006 7.522 -14.358 1.00 0.00 H new ATOM 0 HB2 GLN A 541 103.237 4.637 -14.844 1.00 0.00 H new ATOM 0 HB3 GLN A 541 103.555 5.714 -16.189 1.00 0.00 H new ATOM 0 HG2 GLN A 541 105.757 5.410 -15.955 1.00 0.00 H new ATOM 0 HG3 GLN A 541 105.697 6.027 -14.316 1.00 0.00 H new ATOM 0 HE21 GLN A 541 107.022 4.651 -13.234 1.00 0.00 H new ATOM 0 HE22 GLN A 541 106.781 2.903 -13.146 1.00 0.00 H new ATOM 1697 N ALA A 542 100.872 6.511 -14.567 1.00 0.00 N ATOM 1698 CA ALA A 542 99.546 6.882 -15.044 1.00 0.00 C ATOM 1699 C ALA A 542 99.138 8.245 -14.498 1.00 0.00 C ATOM 1700 O ALA A 542 98.420 9.000 -15.155 1.00 0.00 O ATOM 1701 CB ALA A 542 98.518 5.829 -14.657 1.00 0.00 C ATOM 0 H ALA A 542 100.891 5.677 -13.980 1.00 0.00 H new ATOM 0 HA ALA A 542 99.585 6.942 -16.132 1.00 0.00 H new ATOM 0 HB1 ALA A 542 97.536 6.127 -15.024 1.00 0.00 H new ATOM 0 HB2 ALA A 542 98.794 4.871 -15.098 1.00 0.00 H new ATOM 0 HB3 ALA A 542 98.486 5.733 -13.572 1.00 0.00 H new ATOM 1707 N LYS A 543 99.602 8.554 -13.292 1.00 0.00 N ATOM 1708 CA LYS A 543 99.291 9.826 -12.654 1.00 0.00 C ATOM 1709 C LYS A 543 99.883 10.988 -13.444 1.00 0.00 C ATOM 1710 O LYS A 543 99.296 12.067 -13.516 1.00 0.00 O ATOM 1711 CB LYS A 543 99.823 9.842 -11.221 1.00 0.00 C ATOM 1712 CG LYS A 543 99.062 8.924 -10.280 1.00 0.00 C ATOM 1713 CD LYS A 543 97.587 9.283 -10.228 1.00 0.00 C ATOM 1714 CE LYS A 543 96.711 8.103 -10.615 1.00 0.00 C ATOM 1715 NZ LYS A 543 95.284 8.332 -10.263 1.00 0.00 N ATOM 0 H LYS A 543 100.196 7.939 -12.736 1.00 0.00 H new ATOM 0 HA LYS A 543 98.207 9.941 -12.633 1.00 0.00 H new ATOM 0 HB2 LYS A 543 100.873 9.551 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 543 99.778 10.861 -10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 543 99.175 7.890 -10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 543 99.490 8.990 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 543 97.328 9.615 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 543 97.391 10.118 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 543 96.796 7.924 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 543 97.069 7.205 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 94.720 7.504 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 95.199 8.478 -9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 94.934 9.174 -10.763 1.00 0.00 H new ATOM 1729 N LEU A 544 101.051 10.758 -14.034 1.00 0.00 N ATOM 1730 CA LEU A 544 101.728 11.784 -14.820 1.00 0.00 C ATOM 1731 C LEU A 544 100.754 12.478 -15.766 1.00 0.00 C ATOM 1732 O LEU A 544 100.975 13.620 -16.171 1.00 0.00 O ATOM 1733 CB LEU A 544 102.881 11.167 -15.615 1.00 0.00 C ATOM 1734 CG LEU A 544 104.253 11.795 -15.360 1.00 0.00 C ATOM 1735 CD1 LEU A 544 104.427 12.116 -13.883 1.00 0.00 C ATOM 1736 CD2 LEU A 544 105.360 10.869 -15.840 1.00 0.00 C ATOM 0 H LEU A 544 101.549 9.869 -13.983 1.00 0.00 H new ATOM 0 HA LEU A 544 102.128 12.529 -14.132 1.00 0.00 H new ATOM 0 HB2 LEU A 544 102.936 10.104 -15.381 1.00 0.00 H new ATOM 0 HB3 LEU A 544 102.653 11.248 -16.678 1.00 0.00 H new ATOM 0 HG LEU A 544 104.316 12.726 -15.923 1.00 0.00 H new ATOM 0 HD11 LEU A 544 105.408 12.562 -13.721 1.00 0.00 H new ATOM 0 HD12 LEU A 544 103.654 12.817 -13.569 1.00 0.00 H new ATOM 0 HD13 LEU A 544 104.344 11.199 -13.299 1.00 0.00 H new ATOM 0 HD21 LEU A 544 106.329 11.331 -15.651 1.00 0.00 H new ATOM 0 HD22 LEU A 544 105.299 9.921 -15.305 1.00 0.00 H new ATOM 0 HD23 LEU A 544 105.246 10.690 -16.909 1.00 0.00 H new ATOM 1748 N ASN A 545 99.676 11.785 -16.114 1.00 0.00 N ATOM 1749 CA ASN A 545 98.668 12.338 -17.012 1.00 0.00 C ATOM 1750 C ASN A 545 99.257 12.593 -18.397 1.00 0.00 C ATOM 1751 O ASN A 545 99.867 13.634 -18.641 1.00 0.00 O ATOM 1752 CB ASN A 545 98.105 13.640 -16.439 1.00 0.00 C ATOM 1753 CG ASN A 545 96.824 13.424 -15.655 1.00 0.00 C ATOM 1754 OD1 ASN A 545 95.846 14.150 -15.831 1.00 0.00 O ATOM 1755 ND2 ASN A 545 96.826 12.424 -14.781 1.00 0.00 N ATOM 0 H ASN A 545 99.477 10.839 -15.788 1.00 0.00 H new ATOM 0 HA ASN A 545 97.861 11.611 -17.106 1.00 0.00 H new ATOM 0 HB2 ASN A 545 98.851 14.100 -15.791 1.00 0.00 H new ATOM 0 HB3 ASN A 545 97.915 14.339 -17.253 1.00 0.00 H new ATOM 0 HD21 ASN A 545 95.994 12.233 -14.223 1.00 0.00 H new ATOM 0 HD22 ASN A 545 97.660 11.847 -14.668 1.00 0.00 H new ATOM 1762 N GLN A 546 99.070 11.635 -19.300 1.00 0.00 N ATOM 1763 CA GLN A 546 99.583 11.755 -20.661 1.00 0.00 C ATOM 1764 C GLN A 546 98.452 11.646 -21.679 1.00 0.00 C ATOM 1765 O GLN A 546 98.172 10.565 -22.198 1.00 0.00 O ATOM 1766 CB GLN A 546 100.633 10.673 -20.927 1.00 0.00 C ATOM 1767 CG GLN A 546 101.838 11.171 -21.709 1.00 0.00 C ATOM 1768 CD GLN A 546 102.327 12.524 -21.232 1.00 0.00 C ATOM 1769 OE1 GLN A 546 102.485 12.754 -20.034 1.00 0.00 O ATOM 1770 NE2 GLN A 546 102.571 13.430 -22.174 1.00 0.00 N ATOM 0 H GLN A 546 98.567 10.767 -19.114 1.00 0.00 H new ATOM 0 HA GLN A 546 100.047 12.736 -20.765 1.00 0.00 H new ATOM 0 HB2 GLN A 546 100.972 10.266 -19.974 1.00 0.00 H new ATOM 0 HB3 GLN A 546 100.168 9.854 -21.476 1.00 0.00 H new ATOM 0 HG2 GLN A 546 102.647 10.446 -21.622 1.00 0.00 H new ATOM 0 HG3 GLN A 546 101.579 11.235 -22.766 1.00 0.00 H new ATOM 0 HE21 GLN A 546 102.426 13.196 -23.156 1.00 0.00 H new ATOM 0 HE22 GLN A 546 102.903 14.359 -21.914 1.00 0.00 H new ATOM 1779 N PRO A 547 97.787 12.773 -21.979 1.00 0.00 N ATOM 1780 CA PRO A 547 96.680 12.808 -22.941 1.00 0.00 C ATOM 1781 C PRO A 547 97.096 12.298 -24.317 1.00 0.00 C ATOM 1782 O PRO A 547 97.994 11.465 -24.436 1.00 0.00 O ATOM 1783 CB PRO A 547 96.308 14.295 -23.014 1.00 0.00 C ATOM 1784 CG PRO A 547 96.832 14.886 -21.750 1.00 0.00 C ATOM 1785 CD PRO A 547 98.064 14.099 -21.404 1.00 0.00 C ATOM 0 HA PRO A 547 95.855 12.166 -22.632 1.00 0.00 H new ATOM 0 HB2 PRO A 547 96.754 14.771 -23.887 1.00 0.00 H new ATOM 0 HB3 PRO A 547 95.229 14.429 -23.095 1.00 0.00 H new ATOM 0 HG2 PRO A 547 97.068 15.942 -21.882 1.00 0.00 H new ATOM 0 HG3 PRO A 547 96.091 14.822 -20.953 1.00 0.00 H new ATOM 0 HD2 PRO A 547 98.961 14.545 -21.834 1.00 0.00 H new ATOM 0 HD3 PRO A 547 98.219 14.046 -20.326 1.00 0.00 H new ATOM 1793 N ARG A 548 96.434 12.803 -25.353 1.00 0.00 N ATOM 1794 CA ARG A 548 96.735 12.399 -26.722 1.00 0.00 C ATOM 1795 C ARG A 548 95.993 11.116 -27.086 1.00 0.00 C ATOM 1796 O ARG A 548 96.174 10.080 -26.447 1.00 0.00 O ATOM 1797 CB ARG A 548 98.241 12.199 -26.900 1.00 0.00 C ATOM 1798 CG ARG A 548 98.758 12.646 -28.257 1.00 0.00 C ATOM 1799 CD ARG A 548 100.004 13.509 -28.121 1.00 0.00 C ATOM 1800 NE ARG A 548 101.217 12.780 -28.480 1.00 0.00 N ATOM 1801 CZ ARG A 548 102.362 13.372 -28.801 1.00 0.00 C ATOM 1802 NH1 ARG A 548 102.449 14.695 -28.807 1.00 0.00 N ATOM 1803 NH2 ARG A 548 103.423 12.641 -29.117 1.00 0.00 N ATOM 0 H ARG A 548 95.686 13.492 -25.271 1.00 0.00 H new ATOM 0 HA ARG A 548 96.401 13.193 -27.390 1.00 0.00 H new ATOM 0 HB2 ARG A 548 98.767 12.750 -26.121 1.00 0.00 H new ATOM 0 HB3 ARG A 548 98.478 11.144 -26.760 1.00 0.00 H new ATOM 0 HG2 ARG A 548 98.984 11.772 -28.868 1.00 0.00 H new ATOM 0 HG3 ARG A 548 97.981 13.206 -28.777 1.00 0.00 H new ATOM 0 HD2 ARG A 548 99.907 14.388 -28.758 1.00 0.00 H new ATOM 0 HD3 ARG A 548 100.087 13.867 -27.095 1.00 0.00 H new ATOM 0 HE ARG A 548 101.183 11.761 -28.485 1.00 0.00 H new ATOM 0 HH11 ARG A 548 101.636 15.261 -28.565 1.00 0.00 H new ATOM 0 HH12 ARG A 548 103.329 15.147 -29.054 1.00 0.00 H new ATOM 0 HH21 ARG A 548 103.360 11.623 -29.114 1.00 0.00 H new ATOM 0 HH22 ARG A 548 104.302 13.097 -29.363 1.00 0.00 H new ATOM 1817 N GLU A 549 95.163 11.195 -28.120 1.00 0.00 N ATOM 1818 CA GLU A 549 94.394 10.041 -28.577 1.00 0.00 C ATOM 1819 C GLU A 549 94.654 9.770 -30.055 1.00 0.00 C ATOM 1820 O GLU A 549 94.534 10.667 -30.890 1.00 0.00 O ATOM 1821 CB GLU A 549 92.901 10.268 -28.340 1.00 0.00 C ATOM 1822 CG GLU A 549 92.293 9.314 -27.325 1.00 0.00 C ATOM 1823 CD GLU A 549 91.014 9.852 -26.711 1.00 0.00 C ATOM 1824 OE1 GLU A 549 89.968 9.820 -27.392 1.00 0.00 O ATOM 1825 OE2 GLU A 549 91.059 10.304 -25.547 1.00 0.00 O ATOM 0 H GLU A 549 95.005 12.046 -28.659 1.00 0.00 H new ATOM 0 HA GLU A 549 94.714 9.171 -28.004 1.00 0.00 H new ATOM 0 HB2 GLU A 549 92.747 11.292 -28.001 1.00 0.00 H new ATOM 0 HB3 GLU A 549 92.371 10.163 -29.287 1.00 0.00 H new ATOM 0 HG2 GLU A 549 92.086 8.359 -27.808 1.00 0.00 H new ATOM 0 HG3 GLU A 549 93.018 9.121 -26.534 1.00 0.00 H new ATOM 1832 N LYS A 550 95.012 8.530 -30.371 1.00 0.00 N ATOM 1833 CA LYS A 550 95.290 8.142 -31.749 1.00 0.00 C ATOM 1834 C LYS A 550 94.043 8.273 -32.619 1.00 0.00 C ATOM 1835 O LYS A 550 92.925 8.044 -32.159 1.00 0.00 O ATOM 1836 CB LYS A 550 95.819 6.706 -31.797 1.00 0.00 C ATOM 1837 CG LYS A 550 94.727 5.655 -31.923 1.00 0.00 C ATOM 1838 CD LYS A 550 95.211 4.291 -31.462 1.00 0.00 C ATOM 1839 CE LYS A 550 94.317 3.179 -31.985 1.00 0.00 C ATOM 1840 NZ LYS A 550 94.742 2.716 -33.335 1.00 0.00 N ATOM 0 H LYS A 550 95.116 7.776 -29.692 1.00 0.00 H new ATOM 0 HA LYS A 550 96.051 8.815 -32.144 1.00 0.00 H new ATOM 0 HB2 LYS A 550 96.503 6.609 -32.640 1.00 0.00 H new ATOM 0 HB3 LYS A 550 96.396 6.511 -30.893 1.00 0.00 H new ATOM 0 HG2 LYS A 550 93.862 5.955 -31.331 1.00 0.00 H new ATOM 0 HG3 LYS A 550 94.397 5.594 -32.960 1.00 0.00 H new ATOM 0 HD2 LYS A 550 96.233 4.131 -31.806 1.00 0.00 H new ATOM 0 HD3 LYS A 550 95.233 4.260 -30.373 1.00 0.00 H new ATOM 0 HE2 LYS A 550 94.337 2.340 -31.290 1.00 0.00 H new ATOM 0 HE3 LYS A 550 93.287 3.532 -32.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 94.108 1.957 -33.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 94.699 3.511 -34.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 95.716 2.356 -33.288 1.00 0.00 H new ATOM 1854 N LYS A 551 94.246 8.638 -33.880 1.00 0.00 N ATOM 1855 CA LYS A 551 93.142 8.795 -34.821 1.00 0.00 C ATOM 1856 C LYS A 551 93.407 8.006 -36.099 1.00 0.00 C ATOM 1857 O LYS A 551 94.463 7.389 -36.251 1.00 0.00 O ATOM 1858 CB LYS A 551 92.933 10.274 -35.158 1.00 0.00 C ATOM 1859 CG LYS A 551 92.740 11.161 -33.938 1.00 0.00 C ATOM 1860 CD LYS A 551 91.314 11.088 -33.417 1.00 0.00 C ATOM 1861 CE LYS A 551 90.649 12.455 -33.421 1.00 0.00 C ATOM 1862 NZ LYS A 551 90.575 13.032 -34.793 1.00 0.00 N ATOM 0 H LYS A 551 95.166 8.831 -34.275 1.00 0.00 H new ATOM 0 HA LYS A 551 92.238 8.407 -34.351 1.00 0.00 H new ATOM 0 HB2 LYS A 551 93.793 10.633 -35.724 1.00 0.00 H new ATOM 0 HB3 LYS A 551 92.062 10.370 -35.806 1.00 0.00 H new ATOM 0 HG2 LYS A 551 93.432 10.857 -33.152 1.00 0.00 H new ATOM 0 HG3 LYS A 551 92.983 12.192 -34.194 1.00 0.00 H new ATOM 0 HD2 LYS A 551 90.735 10.399 -34.032 1.00 0.00 H new ATOM 0 HD3 LYS A 551 91.316 10.686 -32.404 1.00 0.00 H new ATOM 0 HE2 LYS A 551 89.644 12.371 -33.008 1.00 0.00 H new ATOM 0 HE3 LYS A 551 91.205 13.131 -32.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 89.809 13.734 -34.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 91.479 13.491 -35.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 90.386 12.274 -35.479 1.00 0.00 H new ATOM 1876 N ARG A 552 92.447 8.028 -37.016 1.00 0.00 N ATOM 1877 CA ARG A 552 92.583 7.314 -38.281 1.00 0.00 C ATOM 1878 C ARG A 552 92.892 8.277 -39.422 1.00 0.00 C ATOM 1879 O ARG A 552 93.242 7.856 -40.525 1.00 0.00 O ATOM 1880 CB ARG A 552 91.308 6.529 -38.592 1.00 0.00 C ATOM 1881 CG ARG A 552 90.875 5.603 -37.468 1.00 0.00 C ATOM 1882 CD ARG A 552 89.403 5.780 -37.138 1.00 0.00 C ATOM 1883 NE ARG A 552 89.086 5.321 -35.789 1.00 0.00 N ATOM 1884 CZ ARG A 552 87.863 4.982 -35.396 1.00 0.00 C ATOM 1885 NH1 ARG A 552 86.848 5.052 -36.247 1.00 0.00 N ATOM 1886 NH2 ARG A 552 87.654 4.573 -34.153 1.00 0.00 N ATOM 0 H ARG A 552 91.567 8.532 -36.908 1.00 0.00 H new ATOM 0 HA ARG A 552 93.415 6.616 -38.184 1.00 0.00 H new ATOM 0 HB2 ARG A 552 90.502 7.231 -38.804 1.00 0.00 H new ATOM 0 HB3 ARG A 552 91.465 5.941 -39.496 1.00 0.00 H new ATOM 0 HG2 ARG A 552 91.063 4.568 -37.755 1.00 0.00 H new ATOM 0 HG3 ARG A 552 91.475 5.802 -36.580 1.00 0.00 H new ATOM 0 HD2 ARG A 552 89.133 6.832 -37.236 1.00 0.00 H new ATOM 0 HD3 ARG A 552 88.801 5.228 -37.860 1.00 0.00 H new ATOM 0 HE ARG A 552 89.845 5.257 -35.111 1.00 0.00 H new ATOM 0 HH11 ARG A 552 87.006 5.366 -37.204 1.00 0.00 H new ATOM 0 HH12 ARG A 552 85.910 4.791 -35.944 1.00 0.00 H new ATOM 0 HH21 ARG A 552 88.433 4.518 -33.496 1.00 0.00 H new ATOM 0 HH22 ARG A 552 86.714 4.313 -33.853 1.00 0.00 H new ATOM 1900 N GLY A 553 92.759 9.571 -39.152 1.00 0.00 N ATOM 1901 CA GLY A 553 93.028 10.571 -40.168 1.00 0.00 C ATOM 1902 C GLY A 553 92.242 11.851 -39.951 1.00 0.00 C ATOM 1903 O GLY A 553 92.645 12.708 -39.166 1.00 0.00 O ATOM 0 H GLY A 553 92.470 9.945 -38.248 1.00 0.00 H new ATOM 0 HA2 GLY A 553 94.094 10.800 -40.174 1.00 0.00 H new ATOM 0 HA3 GLY A 553 92.785 10.162 -41.149 1.00 0.00 H new ATOM 1907 N THR A 554 91.121 11.980 -40.653 1.00 0.00 N ATOM 1908 CA THR A 554 90.279 13.165 -40.536 1.00 0.00 C ATOM 1909 C THR A 554 88.804 12.787 -40.446 1.00 0.00 C ATOM 1910 O THR A 554 88.093 12.779 -41.451 1.00 0.00 O ATOM 1911 CB THR A 554 90.479 14.118 -41.730 1.00 0.00 C ATOM 1912 OG1 THR A 554 89.246 14.739 -42.115 1.00 0.00 O ATOM 1913 CG2 THR A 554 91.038 13.371 -42.931 1.00 0.00 C ATOM 0 H THR A 554 90.775 11.279 -41.308 1.00 0.00 H new ATOM 0 HA THR A 554 90.578 13.674 -39.620 1.00 0.00 H new ATOM 0 HB THR A 554 91.184 14.884 -41.409 1.00 0.00 H new ATOM 0 HG1 THR A 554 88.601 14.050 -42.379 1.00 0.00 H new ATOM 0 HG21 THR A 554 91.171 14.065 -43.761 1.00 0.00 H new ATOM 0 HG22 THR A 554 92.000 12.930 -42.670 1.00 0.00 H new ATOM 0 HG23 THR A 554 90.345 12.583 -43.224 1.00 0.00 H new ATOM 1921 N GLU A 555 88.350 12.478 -39.236 1.00 0.00 N ATOM 1922 CA GLU A 555 86.959 12.101 -39.016 1.00 0.00 C ATOM 1923 C GLU A 555 86.322 12.973 -37.938 1.00 0.00 C ATOM 1924 O GLU A 555 85.507 12.501 -37.145 1.00 0.00 O ATOM 1925 CB GLU A 555 86.865 10.628 -38.616 1.00 0.00 C ATOM 1926 CG GLU A 555 85.494 10.019 -38.861 1.00 0.00 C ATOM 1927 CD GLU A 555 85.385 9.351 -40.218 1.00 0.00 C ATOM 1928 OE1 GLU A 555 86.424 9.218 -40.899 1.00 0.00 O ATOM 1929 OE2 GLU A 555 84.262 8.959 -40.598 1.00 0.00 O ATOM 0 H GLU A 555 88.925 12.481 -38.393 1.00 0.00 H new ATOM 0 HA GLU A 555 86.416 12.253 -39.949 1.00 0.00 H new ATOM 0 HB2 GLU A 555 87.611 10.060 -39.173 1.00 0.00 H new ATOM 0 HB3 GLU A 555 87.114 10.530 -37.559 1.00 0.00 H new ATOM 0 HG2 GLU A 555 85.282 9.287 -38.082 1.00 0.00 H new ATOM 0 HG3 GLU A 555 84.735 10.798 -38.782 1.00 0.00 H new ATOM 1936 N LYS A 556 86.698 14.248 -37.916 1.00 0.00 N ATOM 1937 CA LYS A 556 86.163 15.186 -36.935 1.00 0.00 C ATOM 1938 C LYS A 556 85.112 16.095 -37.564 1.00 0.00 C ATOM 1939 O LYS A 556 85.135 16.346 -38.770 1.00 0.00 O ATOM 1940 CB LYS A 556 87.291 16.028 -36.335 1.00 0.00 C ATOM 1941 CG LYS A 556 88.461 16.243 -37.283 1.00 0.00 C ATOM 1942 CD LYS A 556 89.383 17.345 -36.786 1.00 0.00 C ATOM 1943 CE LYS A 556 89.545 18.445 -37.823 1.00 0.00 C ATOM 1944 NZ LYS A 556 90.698 19.335 -37.513 1.00 0.00 N ATOM 0 H LYS A 556 87.371 14.655 -38.566 1.00 0.00 H new ATOM 0 HA LYS A 556 85.688 14.609 -36.141 1.00 0.00 H new ATOM 0 HB2 LYS A 556 86.891 16.998 -36.039 1.00 0.00 H new ATOM 0 HB3 LYS A 556 87.653 15.542 -35.429 1.00 0.00 H new ATOM 0 HG2 LYS A 556 89.023 15.315 -37.386 1.00 0.00 H new ATOM 0 HG3 LYS A 556 88.086 16.500 -38.274 1.00 0.00 H new ATOM 0 HD2 LYS A 556 88.983 17.768 -35.865 1.00 0.00 H new ATOM 0 HD3 LYS A 556 90.359 16.924 -36.545 1.00 0.00 H new ATOM 0 HE2 LYS A 556 89.686 17.998 -38.807 1.00 0.00 H new ATOM 0 HE3 LYS A 556 88.631 19.037 -37.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 90.774 20.071 -38.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 90.552 19.781 -36.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 91.574 18.775 -37.494 1.00 0.00 H new ATOM 1958 N LEU A 557 84.190 16.585 -36.741 1.00 0.00 N ATOM 1959 CA LEU A 557 83.131 17.467 -37.216 1.00 0.00 C ATOM 1960 C LEU A 557 82.663 17.046 -38.604 1.00 0.00 C ATOM 1961 O LEU A 557 82.745 17.818 -39.560 1.00 0.00 O ATOM 1962 CB LEU A 557 83.618 18.916 -37.243 1.00 0.00 C ATOM 1963 CG LEU A 557 84.714 19.246 -36.229 1.00 0.00 C ATOM 1964 CD1 LEU A 557 85.404 20.551 -36.593 1.00 0.00 C ATOM 1965 CD2 LEU A 557 84.134 19.321 -34.824 1.00 0.00 C ATOM 0 H LEU A 557 84.155 16.386 -35.741 1.00 0.00 H new ATOM 0 HA LEU A 557 82.289 17.391 -36.528 1.00 0.00 H new ATOM 0 HB2 LEU A 557 83.989 19.141 -38.243 1.00 0.00 H new ATOM 0 HB3 LEU A 557 82.767 19.573 -37.063 1.00 0.00 H new ATOM 0 HG LEU A 557 85.457 18.448 -36.253 1.00 0.00 H new ATOM 0 HD11 LEU A 557 86.181 20.769 -35.860 1.00 0.00 H new ATOM 0 HD12 LEU A 557 85.853 20.461 -37.582 1.00 0.00 H new ATOM 0 HD13 LEU A 557 84.673 21.360 -36.599 1.00 0.00 H new ATOM 0 HD21 LEU A 557 84.928 19.557 -34.115 1.00 0.00 H new ATOM 0 HD22 LEU A 557 83.371 20.099 -34.786 1.00 0.00 H new ATOM 0 HD23 LEU A 557 83.687 18.362 -34.563 1.00 0.00 H new ATOM 1977 N ILE A 558 82.175 15.815 -38.707 1.00 0.00 N ATOM 1978 CA ILE A 558 81.697 15.287 -39.978 1.00 0.00 C ATOM 1979 C ILE A 558 80.193 15.481 -40.129 1.00 0.00 C ATOM 1980 O ILE A 558 79.416 15.104 -39.252 1.00 0.00 O ATOM 1981 CB ILE A 558 82.024 13.788 -40.118 1.00 0.00 C ATOM 1982 CG1 ILE A 558 81.387 12.998 -38.974 1.00 0.00 C ATOM 1983 CG2 ILE A 558 83.530 13.573 -40.143 1.00 0.00 C ATOM 1984 CD1 ILE A 558 80.286 12.063 -39.424 1.00 0.00 C ATOM 0 H ILE A 558 82.100 15.164 -37.925 1.00 0.00 H new ATOM 0 HA ILE A 558 82.210 15.843 -40.763 1.00 0.00 H new ATOM 0 HB ILE A 558 81.611 13.427 -41.060 1.00 0.00 H new ATOM 0 HG12 ILE A 558 82.160 12.419 -38.469 1.00 0.00 H new ATOM 0 HG13 ILE A 558 80.982 13.697 -38.242 1.00 0.00 H new ATOM 0 HG21 ILE A 558 83.744 12.509 -40.242 1.00 0.00 H new ATOM 0 HG22 ILE A 558 83.960 14.110 -40.988 1.00 0.00 H new ATOM 0 HG23 ILE A 558 83.966 13.946 -39.216 1.00 0.00 H new ATOM 0 HD11 ILE A 558 79.881 11.536 -38.560 1.00 0.00 H new ATOM 0 HD12 ILE A 558 79.494 12.638 -39.903 1.00 0.00 H new ATOM 0 HD13 ILE A 558 80.690 11.340 -40.133 1.00 0.00 H new ATOM 1996 N THR A 559 79.790 16.070 -41.250 1.00 0.00 N ATOM 1997 CA THR A 559 78.379 16.312 -41.524 1.00 0.00 C ATOM 1998 C THR A 559 78.063 16.071 -42.995 1.00 0.00 C ATOM 1999 O THR A 559 78.769 16.555 -43.878 1.00 0.00 O ATOM 2000 CB THR A 559 77.970 17.750 -41.153 1.00 0.00 C ATOM 2001 OG1 THR A 559 79.119 18.568 -40.889 1.00 0.00 O ATOM 2002 CG2 THR A 559 77.081 17.760 -39.919 1.00 0.00 C ATOM 0 H THR A 559 80.422 16.389 -41.984 1.00 0.00 H new ATOM 0 HA THR A 559 77.811 15.614 -40.909 1.00 0.00 H new ATOM 0 HB THR A 559 77.425 18.154 -42.006 1.00 0.00 H new ATOM 0 HG1 THR A 559 78.829 19.475 -40.658 1.00 0.00 H new ATOM 0 HG21 THR A 559 76.806 18.787 -39.677 1.00 0.00 H new ATOM 0 HG22 THR A 559 76.180 17.179 -40.115 1.00 0.00 H new ATOM 0 HG23 THR A 559 77.620 17.321 -39.079 1.00 0.00 H new ATOM 2010 N LYS A 560 76.999 15.316 -43.251 1.00 0.00 N ATOM 2011 CA LYS A 560 76.593 15.009 -44.617 1.00 0.00 C ATOM 2012 C LYS A 560 75.533 15.990 -45.105 1.00 0.00 C ATOM 2013 O LYS A 560 74.354 15.651 -45.196 1.00 0.00 O ATOM 2014 CB LYS A 560 76.057 13.578 -44.703 1.00 0.00 C ATOM 2015 CG LYS A 560 76.757 12.729 -45.752 1.00 0.00 C ATOM 2016 CD LYS A 560 78.150 12.325 -45.301 1.00 0.00 C ATOM 2017 CE LYS A 560 78.301 10.814 -45.243 1.00 0.00 C ATOM 2018 NZ LYS A 560 78.021 10.279 -43.882 1.00 0.00 N ATOM 0 H LYS A 560 76.404 14.906 -42.531 1.00 0.00 H new ATOM 0 HA LYS A 560 77.470 15.101 -45.258 1.00 0.00 H new ATOM 0 HB2 LYS A 560 76.164 13.099 -43.730 1.00 0.00 H new ATOM 0 HB3 LYS A 560 74.991 13.611 -44.926 1.00 0.00 H new ATOM 0 HG2 LYS A 560 76.165 11.836 -45.953 1.00 0.00 H new ATOM 0 HG3 LYS A 560 76.823 13.285 -46.687 1.00 0.00 H new ATOM 0 HD2 LYS A 560 78.890 12.739 -45.986 1.00 0.00 H new ATOM 0 HD3 LYS A 560 78.353 12.750 -44.318 1.00 0.00 H new ATOM 0 HE2 LYS A 560 77.622 10.354 -45.961 1.00 0.00 H new ATOM 0 HE3 LYS A 560 79.313 10.539 -45.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 78.135 9.245 -43.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 78.685 10.699 -43.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 77.047 10.519 -43.608 1.00 0.00 H new ATOM 2032 N ALA A 561 75.960 17.210 -45.418 1.00 0.00 N ATOM 2033 CA ALA A 561 75.045 18.238 -45.896 1.00 0.00 C ATOM 2034 C ALA A 561 75.669 19.624 -45.778 1.00 0.00 C ATOM 2035 O ALA A 561 76.643 19.771 -45.011 1.00 0.00 O ATOM 2036 CB ALA A 561 73.728 18.186 -45.137 1.00 0.00 C ATOM 2037 OXT ALA A 561 75.177 20.552 -46.454 1.00 0.00 O ATOM 0 H ALA A 561 76.933 17.509 -45.349 1.00 0.00 H new ATOM 0 HA ALA A 561 74.845 18.041 -46.949 1.00 0.00 H new ATOM 0 HB1 ALA A 561 73.061 18.963 -45.511 1.00 0.00 H new ATOM 0 HB2 ALA A 561 73.264 17.210 -45.280 1.00 0.00 H new ATOM 0 HB3 ALA A 561 73.913 18.348 -44.075 1.00 0.00 H new TER 2043 ALA A 561