USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=23 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 554 THR OG1 : rot -148:sc= 0.0571 USER MOD Set 1.2: A 556 LYS NZ :NH3+ -176:sc= 0.0568 (180deg=0) USER MOD Set 2.1: A 514 ASN : amide:sc= -2.6 K(o=-4.2,f=2.1) USER MOD Set 2.2: A 518 CYS SG : rot -32:sc= -1.63 USER MOD Set 2.3: A 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HE2:sc= 0.846 K(o=0.85,f=-4.8!) USER MOD Single : A 439 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.32) USER MOD Single : A 440 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.32) USER MOD Single : A 441 HIS : no HE2:sc= 0.0225 X(o=0.022,f=-0.37) USER MOD Single : A 442 HIS : no HD1:sc= -0.705 X(o=-0.7,f=-0.26) USER MOD Single : A 443 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 445 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 THR OG1 : rot 180:sc=-0.00983 USER MOD Single : A 450 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.1) USER MOD Single : A 453 SER OG : rot 66:sc= -0.368 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot 60:sc= -0.131! USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.28) USER MOD Single : A 474 THR OG1 : rot -73:sc= -3.13! USER MOD Single : A 479 SER OG : rot -43:sc= -0.402 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0.00174 USER MOD Single : A 493 CYS SG : rot -50:sc= -5.74! USER MOD Single : A 494 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-4.2!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc=-0.00941 USER MOD Single : A 504 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 508 ASN : amide:sc= -2.44! K(o=-2.4!,f=-1.9) USER MOD Single : A 510 TYR OH : rot 62:sc= 0.00616 USER MOD Single : A 511 THR OG1 : rot 180:sc=-0.00292 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= -7.14! C(o=-7.1!,f=-8.8!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.27) USER MOD Single : A 530 GLN : amide:sc= -4.28! C(o=-4.3!,f=-5.1!) USER MOD Single : A 532 TYR OH : rot 123:sc= -1.02 USER MOD Single : A 534 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.4!) USER MOD Single : A 535 LYS NZ :NH3+ -151:sc= -0.097 (180deg=-0.662) USER MOD Single : A 541 GLN : amide:sc=-0.00349 X(o=-0.0035,f=0) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -1.97! K(o=-2!,f=-0.19) USER MOD Single : A 546 GLN : amide:sc= -1.64! C(o=-1.6!,f=-6.4!) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 36:sc= 0.127 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 129.646 -0.937 -17.818 1.00 0.00 N ATOM 2 CA MET A 437 128.628 -1.565 -16.935 1.00 0.00 C ATOM 3 C MET A 437 129.119 -2.904 -16.395 1.00 0.00 C ATOM 4 O MET A 437 128.757 -3.963 -16.907 1.00 0.00 O ATOM 5 CB MET A 437 127.340 -1.761 -17.737 1.00 0.00 C ATOM 6 CG MET A 437 126.117 -1.139 -17.084 1.00 0.00 C ATOM 7 SD MET A 437 124.634 -2.144 -17.292 1.00 0.00 S ATOM 8 CE MET A 437 123.376 -1.011 -16.708 1.00 0.00 C ATOM 0 HA MET A 437 128.444 -0.913 -16.081 1.00 0.00 H new ATOM 0 HB2 MET A 437 127.471 -1.330 -18.730 1.00 0.00 H new ATOM 0 HB3 MET A 437 127.166 -2.828 -17.874 1.00 0.00 H new ATOM 0 HG2 MET A 437 126.310 -0.998 -16.020 1.00 0.00 H new ATOM 0 HG3 MET A 437 125.945 -0.151 -17.511 1.00 0.00 H new ATOM 0 HE1 MET A 437 122.398 -1.488 -16.774 1.00 0.00 H new ATOM 0 HE2 MET A 437 123.580 -0.744 -15.671 1.00 0.00 H new ATOM 0 HE3 MET A 437 123.383 -0.111 -17.323 1.00 0.00 H new ATOM 20 N HIS A 438 129.948 -2.847 -15.357 1.00 0.00 N ATOM 21 CA HIS A 438 130.491 -4.054 -14.745 1.00 0.00 C ATOM 22 C HIS A 438 129.390 -5.077 -14.484 1.00 0.00 C ATOM 23 O HIS A 438 128.280 -4.722 -14.087 1.00 0.00 O ATOM 24 CB HIS A 438 131.203 -3.708 -13.437 1.00 0.00 C ATOM 25 CG HIS A 438 130.431 -2.767 -12.564 1.00 0.00 C ATOM 26 ND1 HIS A 438 129.058 -2.816 -12.432 1.00 0.00 N ATOM 27 CD2 HIS A 438 130.846 -1.749 -11.772 1.00 0.00 C ATOM 28 CE1 HIS A 438 128.664 -1.869 -11.599 1.00 0.00 C ATOM 29 NE2 HIS A 438 129.729 -1.209 -11.185 1.00 0.00 N ATOM 0 H HIS A 438 130.258 -1.978 -14.923 1.00 0.00 H new ATOM 0 HA HIS A 438 131.209 -4.492 -15.438 1.00 0.00 H new ATOM 0 HB2 HIS A 438 131.396 -4.627 -12.884 1.00 0.00 H new ATOM 0 HB3 HIS A 438 132.172 -3.265 -13.667 1.00 0.00 H new ATOM 0 HD1 HIS A 438 128.444 -3.480 -12.904 1.00 0.00 H new ATOM 0 HD2 HIS A 438 131.866 -1.423 -11.629 1.00 0.00 H new ATOM 0 HE1 HIS A 438 127.644 -1.669 -11.307 1.00 0.00 H new ATOM 38 N HIS A 439 129.705 -6.349 -14.709 1.00 0.00 N ATOM 39 CA HIS A 439 128.742 -7.423 -14.495 1.00 0.00 C ATOM 40 C HIS A 439 128.531 -7.669 -13.006 1.00 0.00 C ATOM 41 O HIS A 439 129.476 -7.969 -12.277 1.00 0.00 O ATOM 42 CB HIS A 439 129.214 -8.711 -15.174 1.00 0.00 C ATOM 43 CG HIS A 439 130.184 -8.481 -16.291 1.00 0.00 C ATOM 44 ND1 HIS A 439 129.807 -8.005 -17.529 1.00 0.00 N ATOM 45 CD2 HIS A 439 131.524 -8.665 -16.353 1.00 0.00 C ATOM 46 CE1 HIS A 439 130.873 -7.907 -18.305 1.00 0.00 C ATOM 47 NE2 HIS A 439 131.927 -8.301 -17.614 1.00 0.00 N ATOM 0 H HIS A 439 130.618 -6.661 -15.039 1.00 0.00 H new ATOM 0 HA HIS A 439 127.793 -7.119 -14.937 1.00 0.00 H new ATOM 0 HB2 HIS A 439 129.679 -9.356 -14.428 1.00 0.00 H new ATOM 0 HB3 HIS A 439 128.347 -9.246 -15.562 1.00 0.00 H new ATOM 0 HD2 HIS A 439 132.158 -9.030 -15.558 1.00 0.00 H new ATOM 0 HE1 HIS A 439 130.880 -7.563 -19.329 1.00 0.00 H new ATOM 0 HE2 HIS A 439 132.886 -8.330 -17.961 1.00 0.00 H new ATOM 56 N HIS A 440 127.287 -7.538 -12.557 1.00 0.00 N ATOM 57 CA HIS A 440 126.960 -7.747 -11.152 1.00 0.00 C ATOM 58 C HIS A 440 127.558 -9.056 -10.648 1.00 0.00 C ATOM 59 O HIS A 440 128.393 -9.060 -9.742 1.00 0.00 O ATOM 60 CB HIS A 440 125.443 -7.751 -10.951 1.00 0.00 C ATOM 61 CG HIS A 440 124.933 -6.541 -10.232 1.00 0.00 C ATOM 62 ND1 HIS A 440 125.483 -6.076 -9.056 1.00 0.00 N ATOM 63 CD2 HIS A 440 123.917 -5.695 -10.528 1.00 0.00 C ATOM 64 CE1 HIS A 440 124.829 -4.999 -8.660 1.00 0.00 C ATOM 65 NE2 HIS A 440 123.874 -4.746 -9.536 1.00 0.00 N ATOM 0 H HIS A 440 126.491 -7.289 -13.144 1.00 0.00 H new ATOM 0 HA HIS A 440 127.389 -6.926 -10.578 1.00 0.00 H new ATOM 0 HB2 HIS A 440 124.956 -7.818 -11.924 1.00 0.00 H new ATOM 0 HB3 HIS A 440 125.161 -8.643 -10.391 1.00 0.00 H new ATOM 0 HD2 HIS A 440 123.262 -5.756 -11.385 1.00 0.00 H new ATOM 0 HE1 HIS A 440 125.040 -4.423 -7.771 1.00 0.00 H new ATOM 0 HE2 HIS A 440 123.212 -3.972 -9.484 1.00 0.00 H new ATOM 74 N HIS A 441 127.129 -10.166 -11.241 1.00 0.00 N ATOM 75 CA HIS A 441 127.627 -11.481 -10.852 1.00 0.00 C ATOM 76 C HIS A 441 127.250 -12.539 -11.885 1.00 0.00 C ATOM 77 O HIS A 441 126.207 -12.446 -12.532 1.00 0.00 O ATOM 78 CB HIS A 441 127.078 -11.873 -9.480 1.00 0.00 C ATOM 79 CG HIS A 441 128.144 -12.110 -8.455 1.00 0.00 C ATOM 80 ND1 HIS A 441 128.661 -11.108 -7.660 1.00 0.00 N ATOM 81 CD2 HIS A 441 128.795 -13.243 -8.098 1.00 0.00 C ATOM 82 CE1 HIS A 441 129.582 -11.615 -6.860 1.00 0.00 C ATOM 83 NE2 HIS A 441 129.683 -12.908 -7.105 1.00 0.00 N ATOM 0 H HIS A 441 126.439 -10.181 -11.992 1.00 0.00 H new ATOM 0 HA HIS A 441 128.714 -11.425 -10.799 1.00 0.00 H new ATOM 0 HB2 HIS A 441 126.413 -11.086 -9.125 1.00 0.00 H new ATOM 0 HB3 HIS A 441 126.477 -12.776 -9.583 1.00 0.00 H new ATOM 0 HD1 HIS A 441 128.377 -10.129 -7.686 1.00 0.00 H new ATOM 0 HD2 HIS A 441 128.644 -14.227 -8.516 1.00 0.00 H new ATOM 0 HE1 HIS A 441 130.155 -11.064 -6.129 1.00 0.00 H new ATOM 92 N HIS A 442 128.108 -13.543 -12.034 1.00 0.00 N ATOM 93 CA HIS A 442 127.870 -14.621 -12.988 1.00 0.00 C ATOM 94 C HIS A 442 126.507 -15.267 -12.758 1.00 0.00 C ATOM 95 O HIS A 442 125.631 -14.683 -12.120 1.00 0.00 O ATOM 96 CB HIS A 442 128.971 -15.677 -12.878 1.00 0.00 C ATOM 97 CG HIS A 442 128.838 -16.557 -11.673 1.00 0.00 C ATOM 98 ND1 HIS A 442 129.136 -16.133 -10.395 1.00 0.00 N ATOM 99 CD2 HIS A 442 128.434 -17.844 -11.555 1.00 0.00 C ATOM 100 CE1 HIS A 442 128.922 -17.121 -9.544 1.00 0.00 C ATOM 101 NE2 HIS A 442 128.496 -18.170 -10.223 1.00 0.00 N ATOM 0 H HIS A 442 128.976 -13.633 -11.506 1.00 0.00 H new ATOM 0 HA HIS A 442 127.882 -14.192 -13.990 1.00 0.00 H new ATOM 0 HB2 HIS A 442 128.959 -16.297 -13.774 1.00 0.00 H new ATOM 0 HB3 HIS A 442 129.940 -15.178 -12.849 1.00 0.00 H new ATOM 0 HD2 HIS A 442 128.121 -18.493 -12.359 1.00 0.00 H new ATOM 0 HE1 HIS A 442 129.070 -17.078 -8.475 1.00 0.00 H new ATOM 0 HE2 HIS A 442 128.252 -19.076 -9.823 1.00 0.00 H new ATOM 110 N HIS A 443 126.336 -16.477 -13.282 1.00 0.00 N ATOM 111 CA HIS A 443 125.080 -17.206 -13.134 1.00 0.00 C ATOM 112 C HIS A 443 124.942 -17.771 -11.724 1.00 0.00 C ATOM 113 O HIS A 443 125.596 -18.753 -11.372 1.00 0.00 O ATOM 114 CB HIS A 443 125.002 -18.340 -14.158 1.00 0.00 C ATOM 115 CG HIS A 443 125.032 -17.871 -15.579 1.00 0.00 C ATOM 116 ND1 HIS A 443 125.077 -18.733 -16.655 1.00 0.00 N ATOM 117 CD2 HIS A 443 125.024 -16.621 -16.101 1.00 0.00 C ATOM 118 CE1 HIS A 443 125.095 -18.035 -17.776 1.00 0.00 C ATOM 119 NE2 HIS A 443 125.063 -16.752 -17.468 1.00 0.00 N ATOM 0 H HIS A 443 127.051 -16.974 -13.813 1.00 0.00 H new ATOM 0 HA HIS A 443 124.261 -16.508 -13.309 1.00 0.00 H new ATOM 0 HB2 HIS A 443 125.834 -19.024 -13.993 1.00 0.00 H new ATOM 0 HB3 HIS A 443 124.086 -18.906 -13.991 1.00 0.00 H new ATOM 0 HD2 HIS A 443 124.993 -15.695 -15.546 1.00 0.00 H new ATOM 0 HE1 HIS A 443 125.130 -18.444 -18.775 1.00 0.00 H new ATOM 0 HE2 HIS A 443 125.067 -15.982 -18.137 1.00 0.00 H new ATOM 128 N SER A 444 124.085 -17.147 -10.922 1.00 0.00 N ATOM 129 CA SER A 444 123.860 -17.590 -9.551 1.00 0.00 C ATOM 130 C SER A 444 122.486 -17.151 -9.057 1.00 0.00 C ATOM 131 O SER A 444 122.366 -16.511 -8.012 1.00 0.00 O ATOM 132 CB SER A 444 124.949 -17.038 -8.628 1.00 0.00 C ATOM 133 OG SER A 444 125.339 -15.734 -9.024 1.00 0.00 O ATOM 0 H SER A 444 123.535 -16.333 -11.198 1.00 0.00 H new ATOM 0 HA SER A 444 123.900 -18.679 -9.536 1.00 0.00 H new ATOM 0 HB2 SER A 444 124.583 -17.016 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 444 125.814 -17.701 -8.644 1.00 0.00 H new ATOM 0 HG SER A 444 126.034 -15.402 -8.418 1.00 0.00 H new ATOM 139 N ASN A 445 121.453 -17.498 -9.817 1.00 0.00 N ATOM 140 CA ASN A 445 120.086 -17.138 -9.459 1.00 0.00 C ATOM 141 C ASN A 445 120.032 -15.733 -8.871 1.00 0.00 C ATOM 142 O ASN A 445 119.992 -15.559 -7.653 1.00 0.00 O ATOM 143 CB ASN A 445 119.515 -18.146 -8.460 1.00 0.00 C ATOM 144 CG ASN A 445 118.676 -19.216 -9.134 1.00 0.00 C ATOM 145 OD1 ASN A 445 117.456 -19.253 -8.977 1.00 0.00 O ATOM 146 ND2 ASN A 445 119.329 -20.092 -9.888 1.00 0.00 N ATOM 0 H ASN A 445 121.536 -18.028 -10.685 1.00 0.00 H new ATOM 0 HA ASN A 445 119.482 -17.156 -10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 445 120.333 -18.618 -7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 445 118.906 -17.620 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 445 118.818 -20.834 -10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 445 120.342 -20.023 -9.989 1.00 0.00 H new ATOM 153 N ALA A 446 120.035 -14.731 -9.745 1.00 0.00 N ATOM 154 CA ALA A 446 119.988 -13.339 -9.314 1.00 0.00 C ATOM 155 C ALA A 446 118.616 -12.733 -9.580 1.00 0.00 C ATOM 156 O ALA A 446 117.682 -13.433 -9.973 1.00 0.00 O ATOM 157 CB ALA A 446 121.067 -12.519 -10.007 1.00 0.00 C ATOM 0 H ALA A 446 120.070 -14.858 -10.756 1.00 0.00 H new ATOM 0 HA ALA A 446 120.173 -13.318 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 446 121.011 -11.484 -9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 446 122.048 -12.928 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 446 120.916 -12.557 -11.086 1.00 0.00 H new ATOM 163 N THR A 447 118.501 -11.427 -9.366 1.00 0.00 N ATOM 164 CA THR A 447 117.243 -10.725 -9.585 1.00 0.00 C ATOM 165 C THR A 447 117.384 -9.688 -10.694 1.00 0.00 C ATOM 166 O THR A 447 118.285 -9.776 -11.528 1.00 0.00 O ATOM 167 CB THR A 447 116.759 -10.024 -8.301 1.00 0.00 C ATOM 168 OG1 THR A 447 117.542 -8.857 -8.018 1.00 0.00 O ATOM 169 CG2 THR A 447 116.845 -10.961 -7.107 1.00 0.00 C ATOM 0 H THR A 447 119.264 -10.833 -9.041 1.00 0.00 H new ATOM 0 HA THR A 447 116.507 -11.474 -9.879 1.00 0.00 H new ATOM 0 HB THR A 447 115.722 -9.733 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 447 117.211 -8.432 -7.199 1.00 0.00 H new ATOM 0 HG21 THR A 447 116.498 -10.443 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 447 116.220 -11.836 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 447 117.879 -11.276 -6.966 1.00 0.00 H new ATOM 177 N GLY A 448 116.491 -8.705 -10.695 1.00 0.00 N ATOM 178 CA GLY A 448 116.538 -7.664 -11.704 1.00 0.00 C ATOM 179 C GLY A 448 116.813 -6.297 -11.111 1.00 0.00 C ATOM 180 O GLY A 448 117.877 -6.069 -10.536 1.00 0.00 O ATOM 0 H GLY A 448 115.736 -8.610 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 448 117.312 -7.903 -12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 448 115.590 -7.640 -12.242 1.00 0.00 H new ATOM 184 N PRO A 449 115.862 -5.362 -11.235 1.00 0.00 N ATOM 185 CA PRO A 449 116.011 -4.006 -10.702 1.00 0.00 C ATOM 186 C PRO A 449 115.889 -3.964 -9.183 1.00 0.00 C ATOM 187 O PRO A 449 114.991 -4.577 -8.605 1.00 0.00 O ATOM 188 CB PRO A 449 114.857 -3.246 -11.354 1.00 0.00 C ATOM 189 CG PRO A 449 113.818 -4.283 -11.606 1.00 0.00 C ATOM 190 CD PRO A 449 114.564 -5.556 -11.906 1.00 0.00 C ATOM 0 HA PRO A 449 116.993 -3.586 -10.918 1.00 0.00 H new ATOM 0 HB2 PRO A 449 114.481 -2.459 -10.700 1.00 0.00 H new ATOM 0 HB3 PRO A 449 115.172 -2.767 -12.281 1.00 0.00 H new ATOM 0 HG2 PRO A 449 113.171 -4.406 -10.737 1.00 0.00 H new ATOM 0 HG3 PRO A 449 113.179 -3.999 -12.442 1.00 0.00 H new ATOM 0 HD2 PRO A 449 114.039 -6.429 -11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 449 114.685 -5.706 -12.979 1.00 0.00 H new ATOM 198 N GLN A 450 116.796 -3.234 -8.541 1.00 0.00 N ATOM 199 CA GLN A 450 116.786 -3.111 -7.088 1.00 0.00 C ATOM 200 C GLN A 450 115.905 -1.946 -6.650 1.00 0.00 C ATOM 201 O GLN A 450 116.382 -0.987 -6.042 1.00 0.00 O ATOM 202 CB GLN A 450 118.209 -2.919 -6.560 1.00 0.00 C ATOM 203 CG GLN A 450 118.575 -3.874 -5.435 1.00 0.00 C ATOM 204 CD GLN A 450 118.808 -5.291 -5.924 1.00 0.00 C ATOM 205 OE1 GLN A 450 119.187 -5.510 -7.074 1.00 0.00 O ATOM 206 NE2 GLN A 450 118.581 -6.264 -5.047 1.00 0.00 N ATOM 0 H GLN A 450 117.546 -2.720 -9.003 1.00 0.00 H new ATOM 0 HA GLN A 450 116.375 -4.031 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 450 118.913 -3.052 -7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 450 118.321 -1.894 -6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 450 119.474 -3.514 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 450 117.777 -3.877 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 450 118.267 -6.037 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 450 118.720 -7.237 -5.318 1.00 0.00 H new ATOM 215 N PHE A 451 114.618 -2.036 -6.964 1.00 0.00 N ATOM 216 CA PHE A 451 113.667 -0.991 -6.605 1.00 0.00 C ATOM 217 C PHE A 451 113.199 -1.153 -5.162 1.00 0.00 C ATOM 218 O PHE A 451 112.381 -2.021 -4.861 1.00 0.00 O ATOM 219 CB PHE A 451 112.462 -1.026 -7.547 1.00 0.00 C ATOM 220 CG PHE A 451 111.664 -2.295 -7.450 1.00 0.00 C ATOM 221 CD1 PHE A 451 112.030 -3.416 -8.177 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.548 -2.367 -6.632 1.00 0.00 C ATOM 223 CE1 PHE A 451 111.299 -4.586 -8.089 1.00 0.00 C ATOM 224 CE2 PHE A 451 109.813 -3.532 -6.540 1.00 0.00 C ATOM 225 CZ PHE A 451 110.188 -4.644 -7.270 1.00 0.00 C ATOM 0 H PHE A 451 114.209 -2.823 -7.467 1.00 0.00 H new ATOM 0 HA PHE A 451 114.170 -0.029 -6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 451 111.812 -0.179 -7.325 1.00 0.00 H new ATOM 0 HB3 PHE A 451 112.809 -0.901 -8.573 1.00 0.00 H new ATOM 0 HD1 PHE A 451 112.897 -3.375 -8.820 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.249 -1.501 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 451 111.596 -5.453 -8.660 1.00 0.00 H new ATOM 0 HE2 PHE A 451 108.946 -3.574 -5.898 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.614 -5.556 -7.200 1.00 0.00 H new ATOM 235 N VAL A 452 113.719 -0.311 -4.273 1.00 0.00 N ATOM 236 CA VAL A 452 113.343 -0.368 -2.866 1.00 0.00 C ATOM 237 C VAL A 452 111.861 -0.695 -2.723 1.00 0.00 C ATOM 238 O VAL A 452 111.007 0.181 -2.862 1.00 0.00 O ATOM 239 CB VAL A 452 113.636 0.961 -2.144 1.00 0.00 C ATOM 240 CG1 VAL A 452 115.072 0.993 -1.643 1.00 0.00 C ATOM 241 CG2 VAL A 452 113.358 2.142 -3.062 1.00 0.00 C ATOM 0 H VAL A 452 114.398 0.415 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 452 113.942 -1.154 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 452 112.973 1.037 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 452 115.259 1.940 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 452 115.233 0.170 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 452 115.754 0.892 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 452 113.571 3.071 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 452 113.992 2.073 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 452 112.311 2.129 -3.365 1.00 0.00 H new ATOM 251 N SER A 453 111.561 -1.963 -2.459 1.00 0.00 N ATOM 252 CA SER A 453 110.177 -2.413 -2.312 1.00 0.00 C ATOM 253 C SER A 453 109.523 -1.935 -1.009 1.00 0.00 C ATOM 254 O SER A 453 108.508 -2.490 -0.597 1.00 0.00 O ATOM 255 CB SER A 453 110.115 -3.939 -2.389 1.00 0.00 C ATOM 256 OG SER A 453 109.909 -4.507 -1.108 1.00 0.00 O ATOM 0 H SER A 453 112.257 -2.699 -2.342 1.00 0.00 H new ATOM 0 HA SER A 453 109.614 -1.968 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.308 -4.240 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 453 111.042 -4.323 -2.815 1.00 0.00 H new ATOM 0 HG SER A 453 109.023 -4.251 -0.775 1.00 0.00 H new ATOM 262 N GLY A 454 110.087 -0.907 -0.371 1.00 0.00 N ATOM 263 CA GLY A 454 109.516 -0.389 0.864 1.00 0.00 C ATOM 264 C GLY A 454 108.813 -1.448 1.696 1.00 0.00 C ATOM 265 O GLY A 454 107.842 -1.151 2.385 1.00 0.00 O ATOM 0 H GLY A 454 110.928 -0.425 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.309 0.063 1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.807 0.403 0.623 1.00 0.00 H new ATOM 269 N VAL A 455 109.297 -2.683 1.624 1.00 0.00 N ATOM 270 CA VAL A 455 108.705 -3.788 2.370 1.00 0.00 C ATOM 271 C VAL A 455 107.181 -3.698 2.408 1.00 0.00 C ATOM 272 O VAL A 455 106.613 -2.943 3.198 1.00 0.00 O ATOM 273 CB VAL A 455 109.235 -3.839 3.814 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.255 -5.273 4.321 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.619 -3.214 3.898 1.00 0.00 C ATOM 0 H VAL A 455 110.101 -2.945 1.054 1.00 0.00 H new ATOM 0 HA VAL A 455 108.993 -4.699 1.845 1.00 0.00 H new ATOM 0 HB VAL A 455 108.565 -3.261 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 455 109.632 -5.292 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.244 -5.681 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 455 109.903 -5.875 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 455 110.977 -3.259 4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.305 -3.760 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.568 -2.174 3.577 1.00 0.00 H new ATOM 285 N ILE A 456 106.523 -4.485 1.561 1.00 0.00 N ATOM 286 CA ILE A 456 105.064 -4.504 1.511 1.00 0.00 C ATOM 287 C ILE A 456 104.498 -5.395 2.611 1.00 0.00 C ATOM 288 O ILE A 456 104.856 -6.568 2.717 1.00 0.00 O ATOM 289 CB ILE A 456 104.548 -5.001 0.147 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.021 -4.071 -0.971 1.00 0.00 C ATOM 291 CG2 ILE A 456 103.029 -5.093 0.158 1.00 0.00 C ATOM 292 CD1 ILE A 456 105.071 -2.614 -0.564 1.00 0.00 C ATOM 0 H ILE A 456 106.976 -5.117 0.901 1.00 0.00 H new ATOM 0 HA ILE A 456 104.728 -3.478 1.660 1.00 0.00 H new ATOM 0 HB ILE A 456 104.953 -5.996 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.013 -4.383 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.356 -4.178 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.679 -5.445 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.712 -5.791 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.606 -4.109 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.415 -2.013 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 456 104.075 -2.285 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.759 -2.493 0.273 1.00 0.00 H new ATOM 304 N VAL A 457 103.600 -4.840 3.419 1.00 0.00 N ATOM 305 CA VAL A 457 102.972 -5.594 4.497 1.00 0.00 C ATOM 306 C VAL A 457 101.483 -5.788 4.228 1.00 0.00 C ATOM 307 O VAL A 457 100.704 -4.841 4.322 1.00 0.00 O ATOM 308 CB VAL A 457 103.158 -4.896 5.858 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.299 -5.561 6.922 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.623 -4.907 6.265 1.00 0.00 C ATOM 0 H VAL A 457 103.291 -3.871 3.347 1.00 0.00 H new ATOM 0 HA VAL A 457 103.462 -6.567 4.535 1.00 0.00 H new ATOM 0 HB VAL A 457 102.837 -3.859 5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.444 -5.054 7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.250 -5.499 6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.587 -6.608 7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.737 -4.410 7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 457 104.971 -5.937 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.213 -4.382 5.514 1.00 0.00 H new ATOM 320 N LYS A 458 101.087 -7.011 3.889 1.00 0.00 N ATOM 321 CA LYS A 458 99.684 -7.300 3.606 1.00 0.00 C ATOM 322 C LYS A 458 98.902 -7.565 4.887 1.00 0.00 C ATOM 323 O LYS A 458 99.180 -8.521 5.612 1.00 0.00 O ATOM 324 CB LYS A 458 99.557 -8.502 2.670 1.00 0.00 C ATOM 325 CG LYS A 458 98.128 -9.002 2.532 1.00 0.00 C ATOM 326 CD LYS A 458 98.058 -10.284 1.720 1.00 0.00 C ATOM 327 CE LYS A 458 96.997 -10.195 0.634 1.00 0.00 C ATOM 328 NZ LYS A 458 97.221 -11.195 -0.446 1.00 0.00 N ATOM 0 H LYS A 458 101.712 -7.813 3.804 1.00 0.00 H new ATOM 0 HA LYS A 458 99.263 -6.420 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.937 -8.230 1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.185 -9.312 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.706 -9.175 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.518 -8.235 2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 458 99.029 -10.483 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 458 97.836 -11.123 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.013 -10.352 1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.999 -9.192 0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 96.476 -11.101 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 98.150 -11.030 -0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 97.194 -12.153 -0.043 1.00 0.00 H new ATOM 342 N ILE A 459 97.905 -6.727 5.146 1.00 0.00 N ATOM 343 CA ILE A 459 97.060 -6.882 6.323 1.00 0.00 C ATOM 344 C ILE A 459 95.632 -7.238 5.925 1.00 0.00 C ATOM 345 O ILE A 459 94.991 -6.511 5.166 1.00 0.00 O ATOM 346 CB ILE A 459 97.038 -5.611 7.191 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.430 -4.973 7.237 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.547 -5.946 8.595 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.691 -4.160 8.488 1.00 0.00 C ATOM 0 H ILE A 459 97.662 -5.932 4.555 1.00 0.00 H new ATOM 0 HA ILE A 459 97.491 -7.693 6.909 1.00 0.00 H new ATOM 0 HB ILE A 459 96.350 -4.891 6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 459 99.182 -5.759 7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.553 -4.330 6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.535 -5.041 9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.540 -6.359 8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 459 97.215 -6.678 9.049 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.696 -3.741 8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.963 -3.351 8.555 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.601 -4.802 9.364 1.00 0.00 H new ATOM 361 N ILE A 460 95.131 -8.346 6.457 1.00 0.00 N ATOM 362 CA ILE A 460 93.768 -8.776 6.168 1.00 0.00 C ATOM 363 C ILE A 460 93.029 -9.127 7.451 1.00 0.00 C ATOM 364 O ILE A 460 93.568 -9.799 8.330 1.00 0.00 O ATOM 365 CB ILE A 460 93.725 -9.985 5.210 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.298 -10.216 4.708 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.248 -11.234 5.896 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.702 -9.023 3.994 1.00 0.00 C ATOM 0 H ILE A 460 95.645 -8.961 7.088 1.00 0.00 H new ATOM 0 HA ILE A 460 93.276 -7.936 5.677 1.00 0.00 H new ATOM 0 HB ILE A 460 94.367 -9.767 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 460 92.294 -11.071 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 460 91.662 -10.476 5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.209 -12.074 5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.279 -11.072 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.633 -11.455 6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.690 -9.263 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.672 -8.170 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 460 92.314 -8.775 3.127 1.00 0.00 H new ATOM 380 N SER A 461 91.791 -8.665 7.552 1.00 0.00 N ATOM 381 CA SER A 461 90.976 -8.931 8.727 1.00 0.00 C ATOM 382 C SER A 461 89.660 -9.582 8.328 1.00 0.00 C ATOM 383 O SER A 461 89.514 -10.081 7.212 1.00 0.00 O ATOM 384 CB SER A 461 90.705 -7.638 9.496 1.00 0.00 C ATOM 385 OG SER A 461 89.794 -7.852 10.559 1.00 0.00 O ATOM 0 H SER A 461 91.330 -8.105 6.835 1.00 0.00 H new ATOM 0 HA SER A 461 91.525 -9.616 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 461 91.642 -7.244 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 461 90.304 -6.886 8.817 1.00 0.00 H new ATOM 0 HG SER A 461 90.165 -8.513 11.180 1.00 0.00 H new ATOM 391 N THR A 462 88.710 -9.579 9.249 1.00 0.00 N ATOM 392 CA THR A 462 87.405 -10.179 8.995 1.00 0.00 C ATOM 393 C THR A 462 86.271 -9.198 9.276 1.00 0.00 C ATOM 394 O THR A 462 85.106 -9.493 9.010 1.00 0.00 O ATOM 395 CB THR A 462 87.198 -11.446 9.845 1.00 0.00 C ATOM 396 OG1 THR A 462 87.177 -11.139 11.244 1.00 0.00 O ATOM 397 CG2 THR A 462 88.309 -12.453 9.588 1.00 0.00 C ATOM 0 H THR A 462 88.815 -9.170 10.177 1.00 0.00 H new ATOM 0 HA THR A 462 87.385 -10.448 7.939 1.00 0.00 H new ATOM 0 HB THR A 462 86.237 -11.870 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.042 -11.963 11.758 1.00 0.00 H new ATOM 0 HG21 THR A 462 88.144 -13.341 10.198 1.00 0.00 H new ATOM 0 HG22 THR A 462 88.310 -12.732 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.270 -12.008 9.847 1.00 0.00 H new ATOM 405 N GLU A 463 86.616 -8.033 9.811 1.00 0.00 N ATOM 406 CA GLU A 463 85.619 -7.015 10.122 1.00 0.00 C ATOM 407 C GLU A 463 86.210 -5.924 11.007 1.00 0.00 C ATOM 408 O GLU A 463 86.124 -4.737 10.691 1.00 0.00 O ATOM 409 CB GLU A 463 84.411 -7.649 10.814 1.00 0.00 C ATOM 410 CG GLU A 463 83.181 -7.740 9.926 1.00 0.00 C ATOM 411 CD GLU A 463 82.281 -8.903 10.293 1.00 0.00 C ATOM 412 OE1 GLU A 463 82.786 -10.044 10.365 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.073 -8.674 10.510 1.00 0.00 O ATOM 0 H GLU A 463 87.575 -7.770 10.038 1.00 0.00 H new ATOM 0 HA GLU A 463 85.297 -6.562 9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.680 -8.650 11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 463 84.165 -7.068 11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 463 82.616 -6.811 9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.494 -7.842 8.887 1.00 0.00 H new ATOM 420 N PRO A 464 86.822 -6.318 12.132 1.00 0.00 N ATOM 421 CA PRO A 464 87.433 -5.385 13.073 1.00 0.00 C ATOM 422 C PRO A 464 88.123 -4.215 12.378 1.00 0.00 C ATOM 423 O PRO A 464 88.143 -3.101 12.898 1.00 0.00 O ATOM 424 CB PRO A 464 88.450 -6.262 13.794 1.00 0.00 C ATOM 425 CG PRO A 464 87.825 -7.617 13.815 1.00 0.00 C ATOM 426 CD PRO A 464 86.967 -7.717 12.576 1.00 0.00 C ATOM 0 HA PRO A 464 86.700 -4.916 13.729 1.00 0.00 H new ATOM 0 HB2 PRO A 464 89.406 -6.274 13.271 1.00 0.00 H new ATOM 0 HB3 PRO A 464 88.643 -5.898 14.803 1.00 0.00 H new ATOM 0 HG2 PRO A 464 88.588 -8.395 13.821 1.00 0.00 H new ATOM 0 HG3 PRO A 464 87.224 -7.752 14.714 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.440 -8.332 11.811 1.00 0.00 H new ATOM 0 HD3 PRO A 464 86.000 -8.169 12.795 1.00 0.00 H new ATOM 434 N LEU A 465 88.686 -4.473 11.201 1.00 0.00 N ATOM 435 CA LEU A 465 89.374 -3.432 10.445 1.00 0.00 C ATOM 436 C LEU A 465 88.647 -2.097 10.583 1.00 0.00 C ATOM 437 O LEU A 465 87.671 -1.830 9.883 1.00 0.00 O ATOM 438 CB LEU A 465 89.485 -3.825 8.971 1.00 0.00 C ATOM 439 CG LEU A 465 90.910 -3.830 8.413 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.140 -5.048 7.532 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.179 -2.551 7.635 1.00 0.00 C ATOM 0 H LEU A 465 88.680 -5.389 10.752 1.00 0.00 H new ATOM 0 HA LEU A 465 90.379 -3.322 10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.056 -4.818 8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.881 -3.137 8.380 1.00 0.00 H new ATOM 0 HG LEU A 465 91.606 -3.880 9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.159 -5.031 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 465 90.989 -5.955 8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.437 -5.033 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.197 -2.570 7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.474 -2.474 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.059 -1.692 8.295 1.00 0.00 H new ATOM 453 N PRO A 466 89.120 -1.247 11.506 1.00 0.00 N ATOM 454 CA PRO A 466 88.522 0.070 11.765 1.00 0.00 C ATOM 455 C PRO A 466 88.683 1.042 10.599 1.00 0.00 C ATOM 456 O PRO A 466 87.770 1.805 10.286 1.00 0.00 O ATOM 457 CB PRO A 466 89.294 0.574 12.988 1.00 0.00 C ATOM 458 CG PRO A 466 90.589 -0.162 12.950 1.00 0.00 C ATOM 459 CD PRO A 466 90.276 -1.513 12.378 1.00 0.00 C ATOM 0 HA PRO A 466 87.445 -0.004 11.915 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.450 1.652 12.941 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.750 0.371 13.911 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.319 0.363 12.334 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.018 -0.250 13.948 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.119 -1.919 11.818 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.035 -2.235 13.158 1.00 0.00 H new ATOM 467 N GLY A 467 89.848 1.016 9.963 1.00 0.00 N ATOM 468 CA GLY A 467 90.101 1.906 8.844 1.00 0.00 C ATOM 469 C GLY A 467 91.574 2.216 8.679 1.00 0.00 C ATOM 470 O GLY A 467 92.401 1.750 9.461 1.00 0.00 O ATOM 0 H GLY A 467 90.622 0.396 10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.723 1.452 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.550 2.835 8.990 1.00 0.00 H new ATOM 474 N ARG A 468 91.907 3.018 7.674 1.00 0.00 N ATOM 475 CA ARG A 468 93.294 3.394 7.430 1.00 0.00 C ATOM 476 C ARG A 468 93.862 4.166 8.616 1.00 0.00 C ATOM 477 O ARG A 468 95.006 3.954 9.019 1.00 0.00 O ATOM 478 CB ARG A 468 93.399 4.233 6.157 1.00 0.00 C ATOM 479 CG ARG A 468 92.781 5.616 6.284 1.00 0.00 C ATOM 480 CD ARG A 468 92.764 6.339 4.947 1.00 0.00 C ATOM 481 NE ARG A 468 94.014 6.158 4.216 1.00 0.00 N ATOM 482 CZ ARG A 468 95.161 6.728 4.570 1.00 0.00 C ATOM 483 NH1 ARG A 468 95.208 7.527 5.627 1.00 0.00 N ATOM 484 NH2 ARG A 468 96.261 6.502 3.865 1.00 0.00 N ATOM 0 H ARG A 468 91.238 3.419 7.017 1.00 0.00 H new ATOM 0 HA ARG A 468 93.878 2.482 7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.450 4.338 5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 468 92.912 3.701 5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.764 5.528 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 468 93.344 6.203 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 468 91.934 5.969 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 468 92.590 7.402 5.111 1.00 0.00 H new ATOM 0 HE ARG A 468 94.007 5.562 3.389 1.00 0.00 H new ATOM 0 HH11 ARG A 468 94.363 7.705 6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 468 96.089 7.964 5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 468 96.227 5.890 3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 468 97.141 6.940 4.138 1.00 0.00 H new ATOM 498 N LYS A 469 93.053 5.065 9.168 1.00 0.00 N ATOM 499 CA LYS A 469 93.469 5.873 10.308 1.00 0.00 C ATOM 500 C LYS A 469 93.779 4.995 11.514 1.00 0.00 C ATOM 501 O LYS A 469 94.774 5.205 12.209 1.00 0.00 O ATOM 502 CB LYS A 469 92.379 6.887 10.667 1.00 0.00 C ATOM 503 CG LYS A 469 91.133 6.259 11.270 1.00 0.00 C ATOM 504 CD LYS A 469 90.056 7.299 11.535 1.00 0.00 C ATOM 505 CE LYS A 469 89.340 7.701 10.256 1.00 0.00 C ATOM 506 NZ LYS A 469 88.145 6.850 9.997 1.00 0.00 N ATOM 0 H LYS A 469 92.104 5.252 8.843 1.00 0.00 H new ATOM 0 HA LYS A 469 94.376 6.408 10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.787 7.611 11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.099 7.439 9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 469 90.745 5.497 10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.392 5.757 12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 469 89.333 6.902 12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 469 90.505 8.180 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 469 89.034 8.745 10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 469 90.029 7.625 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 87.685 7.156 9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 88.439 5.857 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 87.475 6.942 10.787 1.00 0.00 H new ATOM 520 N GLN A 470 92.920 4.011 11.760 1.00 0.00 N ATOM 521 CA GLN A 470 93.105 3.107 12.887 1.00 0.00 C ATOM 522 C GLN A 470 94.159 2.048 12.578 1.00 0.00 C ATOM 523 O GLN A 470 95.022 1.765 13.409 1.00 0.00 O ATOM 524 CB GLN A 470 91.781 2.439 13.255 1.00 0.00 C ATOM 525 CG GLN A 470 90.900 3.295 14.148 1.00 0.00 C ATOM 526 CD GLN A 470 90.438 2.560 15.391 1.00 0.00 C ATOM 527 OE1 GLN A 470 91.234 1.924 16.082 1.00 0.00 O ATOM 528 NE2 GLN A 470 89.145 2.644 15.682 1.00 0.00 N ATOM 0 H GLN A 470 92.092 3.821 11.196 1.00 0.00 H new ATOM 0 HA GLN A 470 93.454 3.696 13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.237 2.201 12.341 1.00 0.00 H new ATOM 0 HB3 GLN A 470 91.987 1.494 13.759 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.449 4.190 14.443 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.029 3.627 13.582 1.00 0.00 H new ATOM 0 HE21 GLN A 470 88.521 3.182 15.081 1.00 0.00 H new ATOM 0 HE22 GLN A 470 88.776 2.170 16.506 1.00 0.00 H new ATOM 537 N VAL A 471 94.097 1.470 11.380 1.00 0.00 N ATOM 538 CA VAL A 471 95.068 0.455 10.987 1.00 0.00 C ATOM 539 C VAL A 471 96.469 1.054 10.967 1.00 0.00 C ATOM 540 O VAL A 471 97.423 0.451 11.466 1.00 0.00 O ATOM 541 CB VAL A 471 94.744 -0.145 9.601 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.860 -1.072 9.138 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.416 -0.886 9.633 1.00 0.00 C ATOM 0 H VAL A 471 93.393 1.685 10.673 1.00 0.00 H new ATOM 0 HA VAL A 471 95.018 -0.348 11.722 1.00 0.00 H new ATOM 0 HB VAL A 471 94.663 0.676 8.888 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.610 -1.483 8.160 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.793 -0.512 9.069 1.00 0.00 H new ATOM 0 HG13 VAL A 471 95.978 -1.886 9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.207 -1.301 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.468 -1.694 10.363 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.620 -0.195 9.912 1.00 0.00 H new ATOM 553 N ARG A 472 96.578 2.255 10.406 1.00 0.00 N ATOM 554 CA ARG A 472 97.855 2.954 10.338 1.00 0.00 C ATOM 555 C ARG A 472 98.364 3.259 11.742 1.00 0.00 C ATOM 556 O ARG A 472 99.538 3.053 12.046 1.00 0.00 O ATOM 557 CB ARG A 472 97.713 4.250 9.537 1.00 0.00 C ATOM 558 CG ARG A 472 97.076 5.383 10.324 1.00 0.00 C ATOM 559 CD ARG A 472 97.104 6.688 9.545 1.00 0.00 C ATOM 560 NE ARG A 472 98.248 7.517 9.911 1.00 0.00 N ATOM 561 CZ ARG A 472 98.576 8.641 9.281 1.00 0.00 C ATOM 562 NH1 ARG A 472 97.852 9.062 8.252 1.00 0.00 N ATOM 563 NH2 ARG A 472 99.628 9.342 9.678 1.00 0.00 N ATOM 0 H ARG A 472 95.797 2.763 9.992 1.00 0.00 H new ATOM 0 HA ARG A 472 98.576 2.310 9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.698 4.566 9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.114 4.054 8.648 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.045 5.125 10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.603 5.511 11.270 1.00 0.00 H new ATOM 0 HD2 ARG A 472 97.139 6.472 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.182 7.240 9.729 1.00 0.00 H new ATOM 0 HE ARG A 472 98.829 7.217 10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 472 97.043 8.523 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 472 98.105 9.924 7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 472 100.187 9.019 10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 472 99.879 10.204 9.194 1.00 0.00 H new ATOM 577 N ASP A 473 97.465 3.741 12.598 1.00 0.00 N ATOM 578 CA ASP A 473 97.821 4.060 13.975 1.00 0.00 C ATOM 579 C ASP A 473 98.293 2.803 14.694 1.00 0.00 C ATOM 580 O ASP A 473 99.227 2.842 15.494 1.00 0.00 O ATOM 581 CB ASP A 473 96.626 4.669 14.711 1.00 0.00 C ATOM 582 CG ASP A 473 97.039 5.763 15.676 1.00 0.00 C ATOM 583 OD1 ASP A 473 98.254 6.034 15.780 1.00 0.00 O ATOM 584 OD2 ASP A 473 96.149 6.348 16.328 1.00 0.00 O ATOM 0 H ASP A 473 96.489 3.918 12.362 1.00 0.00 H new ATOM 0 HA ASP A 473 98.630 4.791 13.965 1.00 0.00 H new ATOM 0 HB2 ASP A 473 95.923 5.076 13.984 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.101 3.885 15.257 1.00 0.00 H new ATOM 589 N THR A 474 97.644 1.685 14.386 1.00 0.00 N ATOM 590 CA THR A 474 97.997 0.404 14.981 1.00 0.00 C ATOM 591 C THR A 474 99.421 0.021 14.604 1.00 0.00 C ATOM 592 O THR A 474 100.360 0.227 15.374 1.00 0.00 O ATOM 593 CB THR A 474 97.046 -0.712 14.509 1.00 0.00 C ATOM 594 OG1 THR A 474 96.186 -0.251 13.458 1.00 0.00 O ATOM 595 CG2 THR A 474 96.183 -1.221 15.654 1.00 0.00 C ATOM 0 H THR A 474 96.868 1.642 13.725 1.00 0.00 H new ATOM 0 HA THR A 474 97.912 0.512 16.062 1.00 0.00 H new ATOM 0 HB THR A 474 97.672 -1.523 14.137 1.00 0.00 H new ATOM 0 HG1 THR A 474 95.505 0.347 13.831 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.522 -2.008 15.290 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.822 -1.620 16.442 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.585 -0.401 16.052 1.00 0.00 H new ATOM 603 N LEU A 475 99.570 -0.549 13.414 1.00 0.00 N ATOM 604 CA LEU A 475 100.876 -0.971 12.931 1.00 0.00 C ATOM 605 C LEU A 475 101.944 0.066 13.263 1.00 0.00 C ATOM 606 O LEU A 475 103.058 -0.283 13.653 1.00 0.00 O ATOM 607 CB LEU A 475 100.827 -1.199 11.419 1.00 0.00 C ATOM 608 CG LEU A 475 100.211 -0.053 10.615 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.284 0.692 9.837 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.139 -0.581 9.674 1.00 0.00 C ATOM 0 H LEU A 475 98.802 -0.729 12.767 1.00 0.00 H new ATOM 0 HA LEU A 475 101.137 -1.904 13.430 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.841 -1.372 11.059 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.259 -2.108 11.221 1.00 0.00 H new ATOM 0 HG LEU A 475 99.746 0.645 11.311 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.826 1.503 9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 475 102.018 1.102 10.531 1.00 0.00 H new ATOM 0 HD13 LEU A 475 101.779 0.005 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 475 98.711 0.247 9.109 1.00 0.00 H new ATOM 0 HD22 LEU A 475 99.582 -1.300 8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.355 -1.069 10.253 1.00 0.00 H new ATOM 622 N ALA A 476 101.600 1.342 13.108 1.00 0.00 N ATOM 623 CA ALA A 476 102.540 2.418 13.397 1.00 0.00 C ATOM 624 C ALA A 476 102.818 2.520 14.893 1.00 0.00 C ATOM 625 O ALA A 476 103.879 2.987 15.306 1.00 0.00 O ATOM 626 CB ALA A 476 102.023 3.748 12.868 1.00 0.00 C ATOM 0 H ALA A 476 100.684 1.653 12.786 1.00 0.00 H new ATOM 0 HA ALA A 476 103.475 2.182 12.890 1.00 0.00 H new ATOM 0 HB1 ALA A 476 102.742 4.535 13.096 1.00 0.00 H new ATOM 0 HB2 ALA A 476 101.887 3.682 11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.069 3.981 13.340 1.00 0.00 H new ATOM 632 N ALA A 477 101.859 2.077 15.702 1.00 0.00 N ATOM 633 CA ALA A 477 102.009 2.117 17.151 1.00 0.00 C ATOM 634 C ALA A 477 102.984 1.048 17.623 1.00 0.00 C ATOM 635 O ALA A 477 103.676 1.221 18.626 1.00 0.00 O ATOM 636 CB ALA A 477 100.664 1.943 17.840 1.00 0.00 C ATOM 0 H ALA A 477 100.973 1.688 15.379 1.00 0.00 H new ATOM 0 HA ALA A 477 102.410 3.094 17.419 1.00 0.00 H new ATOM 0 HB1 ALA A 477 100.802 1.976 18.921 1.00 0.00 H new ATOM 0 HB2 ALA A 477 99.992 2.745 17.535 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.233 0.982 17.559 1.00 0.00 H new ATOM 642 N ILE A 478 103.043 -0.056 16.884 1.00 0.00 N ATOM 643 CA ILE A 478 103.946 -1.149 17.220 1.00 0.00 C ATOM 644 C ILE A 478 105.352 -0.865 16.701 1.00 0.00 C ATOM 645 O ILE A 478 106.345 -1.278 17.301 1.00 0.00 O ATOM 646 CB ILE A 478 103.445 -2.493 16.654 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.112 -2.867 17.302 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.474 -3.592 16.886 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.045 -3.253 16.305 1.00 0.00 C ATOM 0 H ILE A 478 102.477 -0.216 16.051 1.00 0.00 H new ATOM 0 HA ILE A 478 103.973 -1.224 18.307 1.00 0.00 H new ATOM 0 HB ILE A 478 103.299 -2.385 15.579 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.272 -3.697 17.991 1.00 0.00 H new ATOM 0 HG13 ILE A 478 101.756 -2.025 17.895 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.101 -4.532 16.479 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.408 -3.327 16.390 1.00 0.00 H new ATOM 0 HG23 ILE A 478 104.651 -3.705 17.956 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.127 -3.506 16.835 1.00 0.00 H new ATOM 0 HD12 ILE A 478 100.857 -2.417 15.631 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.381 -4.115 15.728 1.00 0.00 H new ATOM 661 N SER A 479 105.425 -0.153 15.580 1.00 0.00 N ATOM 662 CA SER A 479 106.702 0.197 14.969 1.00 0.00 C ATOM 663 C SER A 479 106.505 1.247 13.879 1.00 0.00 C ATOM 664 O SER A 479 105.790 1.016 12.904 1.00 0.00 O ATOM 665 CB SER A 479 107.370 -1.048 14.382 1.00 0.00 C ATOM 666 OG SER A 479 107.201 -2.167 15.235 1.00 0.00 O ATOM 0 H SER A 479 104.610 0.194 15.075 1.00 0.00 H new ATOM 0 HA SER A 479 107.349 0.613 15.742 1.00 0.00 H new ATOM 0 HB2 SER A 479 106.944 -1.266 13.403 1.00 0.00 H new ATOM 0 HB3 SER A 479 108.433 -0.858 14.232 1.00 0.00 H new ATOM 0 HG SER A 479 107.357 -1.897 16.164 1.00 0.00 H new ATOM 672 N GLU A 480 107.139 2.402 14.053 1.00 0.00 N ATOM 673 CA GLU A 480 107.029 3.489 13.086 1.00 0.00 C ATOM 674 C GLU A 480 107.094 2.961 11.656 1.00 0.00 C ATOM 675 O GLU A 480 108.022 2.238 11.292 1.00 0.00 O ATOM 676 CB GLU A 480 108.140 4.516 13.313 1.00 0.00 C ATOM 677 CG GLU A 480 107.648 5.955 13.303 1.00 0.00 C ATOM 678 CD GLU A 480 106.432 6.150 12.419 1.00 0.00 C ATOM 679 OE1 GLU A 480 106.577 6.066 11.181 1.00 0.00 O ATOM 680 OE2 GLU A 480 105.333 6.385 12.965 1.00 0.00 O ATOM 0 H GLU A 480 107.734 2.610 14.855 1.00 0.00 H new ATOM 0 HA GLU A 480 106.062 3.970 13.230 1.00 0.00 H new ATOM 0 HB2 GLU A 480 108.622 4.312 14.269 1.00 0.00 H new ATOM 0 HB3 GLU A 480 108.899 4.395 12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 480 107.405 6.259 14.321 1.00 0.00 H new ATOM 0 HG3 GLU A 480 108.451 6.607 12.959 1.00 0.00 H new ATOM 687 N VAL A 481 106.103 3.329 10.850 1.00 0.00 N ATOM 688 CA VAL A 481 106.047 2.896 9.460 1.00 0.00 C ATOM 689 C VAL A 481 106.188 4.078 8.510 1.00 0.00 C ATOM 690 O VAL A 481 106.042 5.233 8.911 1.00 0.00 O ATOM 691 CB VAL A 481 104.730 2.162 9.149 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.700 0.803 9.830 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.535 3.003 9.572 1.00 0.00 C ATOM 0 H VAL A 481 105.328 3.927 11.137 1.00 0.00 H new ATOM 0 HA VAL A 481 106.881 2.210 9.312 1.00 0.00 H new ATOM 0 HB VAL A 481 104.672 2.004 8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.761 0.300 9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.533 0.198 9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 481 104.784 0.935 10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.614 2.467 9.344 1.00 0.00 H new ATOM 0 HG22 VAL A 481 103.587 3.196 10.644 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.547 3.950 9.032 1.00 0.00 H new ATOM 703 N LEU A 482 106.473 3.781 7.248 1.00 0.00 N ATOM 704 CA LEU A 482 106.632 4.816 6.236 1.00 0.00 C ATOM 705 C LEU A 482 105.274 5.282 5.723 1.00 0.00 C ATOM 706 O LEU A 482 104.855 6.411 5.979 1.00 0.00 O ATOM 707 CB LEU A 482 107.481 4.294 5.075 1.00 0.00 C ATOM 708 CG LEU A 482 107.910 5.350 4.056 1.00 0.00 C ATOM 709 CD1 LEU A 482 106.842 5.526 2.989 1.00 0.00 C ATOM 710 CD2 LEU A 482 108.199 6.674 4.748 1.00 0.00 C ATOM 0 H LEU A 482 106.599 2.830 6.901 1.00 0.00 H new ATOM 0 HA LEU A 482 107.139 5.666 6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.375 3.822 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.919 3.518 4.555 1.00 0.00 H new ATOM 0 HG LEU A 482 108.825 5.009 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 482 107.165 6.281 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 482 106.685 4.579 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 482 105.910 5.844 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.503 7.413 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 482 107.301 7.021 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 482 109.000 6.538 5.474 1.00 0.00 H new ATOM 722 N TYR A 483 104.592 4.404 4.995 1.00 0.00 N ATOM 723 CA TYR A 483 103.281 4.730 4.443 1.00 0.00 C ATOM 724 C TYR A 483 102.372 3.506 4.426 1.00 0.00 C ATOM 725 O TYR A 483 102.820 2.396 4.150 1.00 0.00 O ATOM 726 CB TYR A 483 103.428 5.288 3.028 1.00 0.00 C ATOM 727 CG TYR A 483 102.108 5.558 2.344 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.385 4.527 1.755 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.584 6.843 2.287 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.177 4.770 1.128 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.376 7.094 1.663 1.00 0.00 C ATOM 732 CZ TYR A 483 99.678 6.055 1.085 1.00 0.00 C ATOM 733 OH TYR A 483 98.476 6.301 0.462 1.00 0.00 O ATOM 0 H TYR A 483 104.923 3.465 4.774 1.00 0.00 H new ATOM 0 HA TYR A 483 102.825 5.486 5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 483 104.002 6.214 3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 483 104.002 4.583 2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.773 3.520 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 483 102.129 7.659 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.627 3.958 0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.981 8.099 1.629 1.00 0.00 H new ATOM 0 HH TYR A 483 98.266 7.257 0.521 1.00 0.00 H new ATOM 743 N VAL A 484 101.092 3.717 4.720 1.00 0.00 N ATOM 744 CA VAL A 484 100.123 2.626 4.734 1.00 0.00 C ATOM 745 C VAL A 484 99.108 2.775 3.606 1.00 0.00 C ATOM 746 O VAL A 484 98.357 3.749 3.559 1.00 0.00 O ATOM 747 CB VAL A 484 99.373 2.552 6.076 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.645 3.858 6.355 1.00 0.00 C ATOM 749 CG2 VAL A 484 98.403 1.380 6.079 1.00 0.00 C ATOM 0 H VAL A 484 100.703 4.631 4.951 1.00 0.00 H new ATOM 0 HA VAL A 484 100.688 1.705 4.592 1.00 0.00 H new ATOM 0 HB VAL A 484 100.102 2.394 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 484 98.121 3.786 7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 484 99.366 4.674 6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 484 97.926 4.051 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 484 97.881 1.342 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.678 1.505 5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 484 98.954 0.451 5.929 1.00 0.00 H new ATOM 759 N ASP A 485 99.088 1.802 2.699 1.00 0.00 N ATOM 760 CA ASP A 485 98.161 1.824 1.572 1.00 0.00 C ATOM 761 C ASP A 485 96.978 0.890 1.809 1.00 0.00 C ATOM 762 O ASP A 485 97.012 -0.281 1.429 1.00 0.00 O ATOM 763 CB ASP A 485 98.884 1.429 0.285 1.00 0.00 C ATOM 764 CG ASP A 485 97.932 1.266 -0.884 1.00 0.00 C ATOM 765 OD1 ASP A 485 97.632 0.110 -1.249 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.488 2.295 -1.436 1.00 0.00 O ATOM 0 H ASP A 485 99.703 0.989 2.723 1.00 0.00 H new ATOM 0 HA ASP A 485 97.779 2.840 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.628 2.188 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 485 99.422 0.495 0.445 1.00 0.00 H new ATOM 771 N LEU A 486 95.932 1.415 2.433 1.00 0.00 N ATOM 772 CA LEU A 486 94.735 0.629 2.716 1.00 0.00 C ATOM 773 C LEU A 486 93.704 0.791 1.604 1.00 0.00 C ATOM 774 O LEU A 486 93.381 1.910 1.207 1.00 0.00 O ATOM 775 CB LEU A 486 94.121 1.050 4.050 1.00 0.00 C ATOM 776 CG LEU A 486 92.747 0.446 4.341 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.758 -0.290 5.670 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.678 1.528 4.334 1.00 0.00 C ATOM 0 H LEU A 486 95.887 2.382 2.754 1.00 0.00 H new ATOM 0 HA LEU A 486 95.029 -0.419 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.803 0.770 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 486 94.036 2.137 4.068 1.00 0.00 H new ATOM 0 HG LEU A 486 92.512 -0.273 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.772 -0.713 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 486 93.496 -1.091 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 486 93.014 0.406 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.706 1.081 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.907 2.271 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.653 2.009 3.356 1.00 0.00 H new ATOM 790 N LEU A 487 93.185 -0.328 1.107 1.00 0.00 N ATOM 791 CA LEU A 487 92.186 -0.294 0.046 1.00 0.00 C ATOM 792 C LEU A 487 90.899 0.354 0.542 1.00 0.00 C ATOM 793 O LEU A 487 89.974 -0.332 0.977 1.00 0.00 O ATOM 794 CB LEU A 487 91.892 -1.708 -0.458 1.00 0.00 C ATOM 795 CG LEU A 487 92.785 -2.187 -1.602 1.00 0.00 C ATOM 796 CD1 LEU A 487 92.856 -1.135 -2.698 1.00 0.00 C ATOM 797 CD2 LEU A 487 94.177 -2.522 -1.087 1.00 0.00 C ATOM 0 H LEU A 487 93.439 -1.265 1.421 1.00 0.00 H new ATOM 0 HA LEU A 487 92.585 0.300 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.993 -2.403 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.853 -1.752 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 487 92.350 -3.093 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 487 93.496 -1.493 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 487 91.855 -0.945 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 487 93.268 -0.212 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 487 94.799 -2.861 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 487 94.622 -1.634 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 487 94.108 -3.311 -0.338 1.00 0.00 H new ATOM 809 N GLU A 488 90.848 1.680 0.477 1.00 0.00 N ATOM 810 CA GLU A 488 89.676 2.423 0.921 1.00 0.00 C ATOM 811 C GLU A 488 88.395 1.661 0.604 1.00 0.00 C ATOM 812 O GLU A 488 88.177 1.234 -0.530 1.00 0.00 O ATOM 813 CB GLU A 488 89.641 3.804 0.263 1.00 0.00 C ATOM 814 CG GLU A 488 90.357 3.854 -1.076 1.00 0.00 C ATOM 815 CD GLU A 488 89.973 5.069 -1.899 1.00 0.00 C ATOM 816 OE1 GLU A 488 89.758 4.916 -3.119 1.00 0.00 O ATOM 817 OE2 GLU A 488 89.888 6.174 -1.322 1.00 0.00 O ATOM 0 H GLU A 488 91.606 2.262 0.121 1.00 0.00 H new ATOM 0 HA GLU A 488 89.744 2.546 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 488 88.603 4.105 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 488 90.095 4.531 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 488 91.434 3.860 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 488 90.127 2.950 -1.640 1.00 0.00 H new ATOM 824 N GLY A 489 87.551 1.496 1.616 1.00 0.00 N ATOM 825 CA GLY A 489 86.299 0.786 1.434 1.00 0.00 C ATOM 826 C GLY A 489 86.491 -0.713 1.326 1.00 0.00 C ATOM 827 O GLY A 489 85.575 -1.435 0.933 1.00 0.00 O ATOM 0 H GLY A 489 87.712 1.842 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.636 1.005 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.806 1.151 0.533 1.00 0.00 H new ATOM 831 N ASP A 490 87.685 -1.183 1.672 1.00 0.00 N ATOM 832 CA ASP A 490 87.991 -2.607 1.608 1.00 0.00 C ATOM 833 C ASP A 490 88.570 -3.110 2.927 1.00 0.00 C ATOM 834 O ASP A 490 88.931 -2.322 3.801 1.00 0.00 O ATOM 835 CB ASP A 490 88.970 -2.889 0.468 1.00 0.00 C ATOM 836 CG ASP A 490 88.686 -4.208 -0.223 1.00 0.00 C ATOM 837 OD1 ASP A 490 89.212 -4.422 -1.335 1.00 0.00 O ATOM 838 OD2 ASP A 490 87.936 -5.028 0.348 1.00 0.00 O ATOM 0 H ASP A 490 88.455 -0.600 1.999 1.00 0.00 H new ATOM 0 HA ASP A 490 87.059 -3.140 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 490 88.917 -2.081 -0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.987 -2.899 0.860 1.00 0.00 H new ATOM 843 N THR A 491 88.648 -4.429 3.059 1.00 0.00 N ATOM 844 CA THR A 491 89.175 -5.051 4.268 1.00 0.00 C ATOM 845 C THR A 491 90.620 -5.508 4.078 1.00 0.00 C ATOM 846 O THR A 491 91.154 -6.258 4.896 1.00 0.00 O ATOM 847 CB THR A 491 88.320 -6.260 4.694 1.00 0.00 C ATOM 848 OG1 THR A 491 88.003 -7.096 3.574 1.00 0.00 O ATOM 849 CG2 THR A 491 87.019 -5.805 5.338 1.00 0.00 C ATOM 0 H THR A 491 88.352 -5.090 2.341 1.00 0.00 H new ATOM 0 HA THR A 491 89.141 -4.292 5.050 1.00 0.00 H new ATOM 0 HB THR A 491 88.911 -6.827 5.413 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.462 -7.855 3.875 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.433 -6.677 5.630 1.00 0.00 H new ATOM 0 HG22 THR A 491 87.240 -5.204 6.220 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.450 -5.207 4.626 1.00 0.00 H new ATOM 857 N GLU A 492 91.248 -5.059 2.995 1.00 0.00 N ATOM 858 CA GLU A 492 92.630 -5.433 2.708 1.00 0.00 C ATOM 859 C GLU A 492 93.517 -4.200 2.548 1.00 0.00 C ATOM 860 O GLU A 492 93.345 -3.412 1.618 1.00 0.00 O ATOM 861 CB GLU A 492 92.698 -6.288 1.440 1.00 0.00 C ATOM 862 CG GLU A 492 91.469 -7.155 1.221 1.00 0.00 C ATOM 863 CD GLU A 492 91.682 -8.210 0.153 1.00 0.00 C ATOM 864 OE1 GLU A 492 90.873 -9.159 0.086 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.658 -8.088 -0.618 1.00 0.00 O ATOM 0 H GLU A 492 90.825 -4.439 2.305 1.00 0.00 H new ATOM 0 HA GLU A 492 92.999 -6.013 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 492 92.829 -5.634 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.579 -6.928 1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.201 -7.642 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 492 90.628 -6.522 0.938 1.00 0.00 H new ATOM 872 N CYS A 493 94.475 -4.046 3.458 1.00 0.00 N ATOM 873 CA CYS A 493 95.399 -2.918 3.416 1.00 0.00 C ATOM 874 C CYS A 493 96.841 -3.411 3.344 1.00 0.00 C ATOM 875 O CYS A 493 97.189 -4.418 3.956 1.00 0.00 O ATOM 876 CB CYS A 493 95.215 -2.030 4.647 1.00 0.00 C ATOM 877 SG CYS A 493 94.690 -2.920 6.130 1.00 0.00 S ATOM 0 H CYS A 493 94.631 -4.689 4.234 1.00 0.00 H new ATOM 0 HA CYS A 493 95.182 -2.332 2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 493 96.155 -1.520 4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.478 -1.260 4.419 1.00 0.00 H new ATOM 0 HG CYS A 493 93.665 -3.668 5.847 1.00 0.00 H new ATOM 883 N HIS A 494 97.678 -2.699 2.596 1.00 0.00 N ATOM 884 CA HIS A 494 99.081 -3.077 2.456 1.00 0.00 C ATOM 885 C HIS A 494 99.995 -1.920 2.845 1.00 0.00 C ATOM 886 O HIS A 494 100.174 -0.973 2.078 1.00 0.00 O ATOM 887 CB HIS A 494 99.373 -3.515 1.021 1.00 0.00 C ATOM 888 CG HIS A 494 98.583 -4.711 0.592 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.214 -4.796 0.728 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.977 -5.877 0.029 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.799 -5.963 0.269 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.850 -6.637 -0.161 1.00 0.00 N ATOM 0 H HIS A 494 97.411 -1.861 2.079 1.00 0.00 H new ATOM 0 HA HIS A 494 99.276 -3.913 3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.159 -2.687 0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.436 -3.738 0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.989 -6.157 -0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.775 -6.307 0.249 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.828 -7.572 -0.569 1.00 0.00 H new ATOM 901 N ALA A 495 100.563 -1.997 4.044 1.00 0.00 N ATOM 902 CA ALA A 495 101.446 -0.948 4.535 1.00 0.00 C ATOM 903 C ALA A 495 102.892 -1.176 4.104 1.00 0.00 C ATOM 904 O ALA A 495 103.427 -2.277 4.232 1.00 0.00 O ATOM 905 CB ALA A 495 101.365 -0.839 6.050 1.00 0.00 C ATOM 0 H ALA A 495 100.427 -2.773 4.691 1.00 0.00 H new ATOM 0 HA ALA A 495 101.108 -0.011 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.033 -0.049 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.342 -0.603 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.662 -1.787 6.499 1.00 0.00 H new ATOM 911 N ARG A 496 103.517 -0.116 3.604 1.00 0.00 N ATOM 912 CA ARG A 496 104.904 -0.171 3.161 1.00 0.00 C ATOM 913 C ARG A 496 105.840 0.328 4.261 1.00 0.00 C ATOM 914 O ARG A 496 105.579 1.354 4.894 1.00 0.00 O ATOM 915 CB ARG A 496 105.087 0.673 1.899 1.00 0.00 C ATOM 916 CG ARG A 496 103.890 0.634 0.962 1.00 0.00 C ATOM 917 CD ARG A 496 104.219 1.239 -0.394 1.00 0.00 C ATOM 918 NE ARG A 496 103.181 2.160 -0.846 1.00 0.00 N ATOM 919 CZ ARG A 496 103.339 3.010 -1.855 1.00 0.00 C ATOM 920 NH1 ARG A 496 104.490 3.056 -2.512 1.00 0.00 N ATOM 921 NH2 ARG A 496 102.345 3.815 -2.208 1.00 0.00 N ATOM 0 H ARG A 496 103.080 0.799 3.495 1.00 0.00 H new ATOM 0 HA ARG A 496 105.153 -1.208 2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.278 1.707 2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.969 0.323 1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.564 -0.398 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.058 1.177 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.171 1.766 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 496 104.341 0.442 -1.127 1.00 0.00 H new ATOM 0 HE ARG A 496 102.284 2.151 -0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 496 105.256 2.438 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 496 104.609 3.709 -3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 496 101.458 3.782 -1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 496 102.467 4.467 -2.983 1.00 0.00 H new ATOM 935 N PHE A 497 106.934 -0.396 4.472 1.00 0.00 N ATOM 936 CA PHE A 497 107.921 -0.028 5.482 1.00 0.00 C ATOM 937 C PHE A 497 109.231 0.387 4.821 1.00 0.00 C ATOM 938 O PHE A 497 109.509 0.004 3.686 1.00 0.00 O ATOM 939 CB PHE A 497 108.178 -1.199 6.434 1.00 0.00 C ATOM 940 CG PHE A 497 106.985 -1.583 7.263 1.00 0.00 C ATOM 941 CD1 PHE A 497 107.079 -1.651 8.644 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.773 -1.879 6.661 1.00 0.00 C ATOM 943 CE1 PHE A 497 105.986 -2.007 9.410 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.676 -2.235 7.422 1.00 0.00 C ATOM 945 CZ PHE A 497 104.782 -2.299 8.798 1.00 0.00 C ATOM 0 H PHE A 497 107.161 -1.245 3.954 1.00 0.00 H new ATOM 0 HA PHE A 497 107.525 0.813 6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.498 -2.064 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 497 109.002 -0.940 7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 497 108.018 -1.423 9.127 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.685 -1.831 5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 497 106.072 -2.057 10.485 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.736 -2.463 6.941 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.925 -2.577 9.394 1.00 0.00 H new ATOM 955 N LYS A 498 110.037 1.170 5.530 1.00 0.00 N ATOM 956 CA LYS A 498 111.315 1.625 4.992 1.00 0.00 C ATOM 957 C LYS A 498 112.402 0.575 5.205 1.00 0.00 C ATOM 958 O LYS A 498 113.431 0.589 4.530 1.00 0.00 O ATOM 959 CB LYS A 498 111.730 2.947 5.641 1.00 0.00 C ATOM 960 CG LYS A 498 112.521 3.861 4.716 1.00 0.00 C ATOM 961 CD LYS A 498 111.922 3.905 3.319 1.00 0.00 C ATOM 962 CE LYS A 498 112.312 5.178 2.585 1.00 0.00 C ATOM 963 NZ LYS A 498 111.989 5.104 1.134 1.00 0.00 N ATOM 0 H LYS A 498 109.831 1.501 6.472 1.00 0.00 H new ATOM 0 HA LYS A 498 111.191 1.781 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.836 3.472 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 498 112.329 2.735 6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 498 112.545 4.868 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 498 113.553 3.515 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 498 112.259 3.038 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 498 110.836 3.840 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 498 111.793 6.027 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 498 113.380 5.357 2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 112.270 5.991 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 112.504 4.310 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 110.966 4.959 1.013 1.00 0.00 H new ATOM 977 N THR A 499 112.167 -0.338 6.143 1.00 0.00 N ATOM 978 CA THR A 499 113.128 -1.394 6.435 1.00 0.00 C ATOM 979 C THR A 499 112.438 -2.750 6.538 1.00 0.00 C ATOM 980 O THR A 499 111.267 -2.838 6.905 1.00 0.00 O ATOM 981 CB THR A 499 113.891 -1.121 7.744 1.00 0.00 C ATOM 982 OG1 THR A 499 113.082 -0.402 8.683 1.00 0.00 O ATOM 983 CG2 THR A 499 115.153 -0.315 7.477 1.00 0.00 C ATOM 0 H THR A 499 111.321 -0.367 6.712 1.00 0.00 H new ATOM 0 HA THR A 499 113.838 -1.409 5.608 1.00 0.00 H new ATOM 0 HB THR A 499 114.153 -2.092 8.165 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.594 -0.246 9.504 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.675 -0.135 8.417 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.803 -0.871 6.801 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.886 0.639 7.021 1.00 0.00 H new ATOM 991 N PRO A 500 113.164 -3.828 6.211 1.00 0.00 N ATOM 992 CA PRO A 500 112.629 -5.190 6.261 1.00 0.00 C ATOM 993 C PRO A 500 112.484 -5.708 7.688 1.00 0.00 C ATOM 994 O PRO A 500 111.521 -6.403 8.012 1.00 0.00 O ATOM 995 CB PRO A 500 113.675 -6.004 5.503 1.00 0.00 C ATOM 996 CG PRO A 500 114.947 -5.254 5.698 1.00 0.00 C ATOM 997 CD PRO A 500 114.568 -3.799 5.762 1.00 0.00 C ATOM 0 HA PRO A 500 111.627 -5.250 5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.749 -7.018 5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.422 -6.088 4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.447 -5.567 6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.639 -5.441 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 500 115.201 -3.250 6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.669 -3.315 4.791 1.00 0.00 H new ATOM 1005 N GLU A 501 113.447 -5.367 8.537 1.00 0.00 N ATOM 1006 CA GLU A 501 113.425 -5.799 9.929 1.00 0.00 C ATOM 1007 C GLU A 501 112.187 -5.268 10.645 1.00 0.00 C ATOM 1008 O GLU A 501 111.623 -5.939 11.509 1.00 0.00 O ATOM 1009 CB GLU A 501 114.694 -5.337 10.653 1.00 0.00 C ATOM 1010 CG GLU A 501 114.687 -3.864 11.030 1.00 0.00 C ATOM 1011 CD GLU A 501 115.534 -3.573 12.253 1.00 0.00 C ATOM 1012 OE1 GLU A 501 116.751 -3.847 12.211 1.00 0.00 O ATOM 1013 OE2 GLU A 501 114.979 -3.070 13.253 1.00 0.00 O ATOM 0 H GLU A 501 114.252 -4.793 8.286 1.00 0.00 H new ATOM 0 HA GLU A 501 113.388 -6.888 9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.822 -5.933 11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.556 -5.535 10.016 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.054 -3.276 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 501 113.662 -3.545 11.218 1.00 0.00 H new ATOM 1020 N ASP A 502 111.766 -4.062 10.277 1.00 0.00 N ATOM 1021 CA ASP A 502 110.593 -3.445 10.884 1.00 0.00 C ATOM 1022 C ASP A 502 109.336 -4.259 10.591 1.00 0.00 C ATOM 1023 O ASP A 502 108.485 -4.438 11.462 1.00 0.00 O ATOM 1024 CB ASP A 502 110.420 -2.014 10.372 1.00 0.00 C ATOM 1025 CG ASP A 502 109.666 -1.136 11.352 1.00 0.00 C ATOM 1026 OD1 ASP A 502 108.624 -0.569 10.960 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.116 -1.017 12.510 1.00 0.00 O ATOM 0 H ASP A 502 112.220 -3.493 9.562 1.00 0.00 H new ATOM 0 HA ASP A 502 110.744 -3.421 11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.401 -1.579 10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.887 -2.033 9.421 1.00 0.00 H new ATOM 1032 N ALA A 503 109.226 -4.751 9.361 1.00 0.00 N ATOM 1033 CA ALA A 503 108.074 -5.548 8.957 1.00 0.00 C ATOM 1034 C ALA A 503 108.044 -6.879 9.699 1.00 0.00 C ATOM 1035 O ALA A 503 106.992 -7.321 10.160 1.00 0.00 O ATOM 1036 CB ALA A 503 108.078 -5.785 7.454 1.00 0.00 C ATOM 0 H ALA A 503 109.921 -4.612 8.627 1.00 0.00 H new ATOM 0 HA ALA A 503 107.176 -4.988 9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.209 -6.382 7.177 1.00 0.00 H new ATOM 0 HB2 ALA A 503 108.041 -4.827 6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.987 -6.316 7.172 1.00 0.00 H new ATOM 1042 N GLN A 504 109.208 -7.512 9.815 1.00 0.00 N ATOM 1043 CA GLN A 504 109.315 -8.792 10.506 1.00 0.00 C ATOM 1044 C GLN A 504 108.926 -8.646 11.973 1.00 0.00 C ATOM 1045 O GLN A 504 108.217 -9.485 12.528 1.00 0.00 O ATOM 1046 CB GLN A 504 110.740 -9.340 10.392 1.00 0.00 C ATOM 1047 CG GLN A 504 110.857 -10.812 10.754 1.00 0.00 C ATOM 1048 CD GLN A 504 112.260 -11.198 11.181 1.00 0.00 C ATOM 1049 OE1 GLN A 504 112.771 -10.710 12.188 1.00 0.00 O ATOM 1050 NE2 GLN A 504 112.890 -12.080 10.413 1.00 0.00 N ATOM 0 H GLN A 504 110.089 -7.160 9.440 1.00 0.00 H new ATOM 0 HA GLN A 504 108.628 -9.494 10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 504 111.095 -9.196 9.372 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.396 -8.761 11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 504 110.160 -11.041 11.560 1.00 0.00 H new ATOM 0 HG3 GLN A 504 110.563 -11.418 9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 504 112.427 -12.459 9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 504 113.836 -12.378 10.650 1.00 0.00 H new ATOM 1059 N ALA A 505 109.405 -7.577 12.597 1.00 0.00 N ATOM 1060 CA ALA A 505 109.116 -7.320 14.002 1.00 0.00 C ATOM 1061 C ALA A 505 107.630 -7.051 14.228 1.00 0.00 C ATOM 1062 O ALA A 505 107.054 -7.508 15.214 1.00 0.00 O ATOM 1063 CB ALA A 505 109.943 -6.150 14.516 1.00 0.00 C ATOM 0 H ALA A 505 109.995 -6.874 12.152 1.00 0.00 H new ATOM 0 HA ALA A 505 109.386 -8.216 14.560 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.712 -5.975 15.567 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.003 -6.380 14.411 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.707 -5.256 13.939 1.00 0.00 H new ATOM 1069 N VAL A 506 107.014 -6.302 13.316 1.00 0.00 N ATOM 1070 CA VAL A 506 105.597 -5.973 13.435 1.00 0.00 C ATOM 1071 C VAL A 506 104.716 -7.203 13.245 1.00 0.00 C ATOM 1072 O VAL A 506 103.754 -7.409 13.986 1.00 0.00 O ATOM 1073 CB VAL A 506 105.181 -4.903 12.407 1.00 0.00 C ATOM 1074 CG1 VAL A 506 103.707 -4.560 12.556 1.00 0.00 C ATOM 1075 CG2 VAL A 506 106.042 -3.657 12.550 1.00 0.00 C ATOM 0 H VAL A 506 107.471 -5.914 12.491 1.00 0.00 H new ATOM 0 HA VAL A 506 105.455 -5.583 14.443 1.00 0.00 H new ATOM 0 HB VAL A 506 105.336 -5.310 11.408 1.00 0.00 H new ATOM 0 HG11 VAL A 506 103.434 -3.803 11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 506 103.107 -5.456 12.395 1.00 0.00 H new ATOM 0 HG13 VAL A 506 103.523 -4.175 13.559 1.00 0.00 H new ATOM 0 HG21 VAL A 506 105.732 -2.914 11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 506 105.924 -3.246 13.553 1.00 0.00 H new ATOM 0 HG23 VAL A 506 107.088 -3.916 12.385 1.00 0.00 H new ATOM 1085 N ILE A 507 105.045 -8.015 12.247 1.00 0.00 N ATOM 1086 CA ILE A 507 104.273 -9.222 11.962 1.00 0.00 C ATOM 1087 C ILE A 507 104.389 -10.232 13.095 1.00 0.00 C ATOM 1088 O ILE A 507 103.428 -10.931 13.418 1.00 0.00 O ATOM 1089 CB ILE A 507 104.709 -9.894 10.645 1.00 0.00 C ATOM 1090 CG1 ILE A 507 106.229 -10.077 10.593 1.00 0.00 C ATOM 1091 CG2 ILE A 507 104.229 -9.080 9.453 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.704 -11.376 11.206 1.00 0.00 C ATOM 0 H ILE A 507 105.837 -7.862 11.623 1.00 0.00 H new ATOM 0 HA ILE A 507 103.236 -8.903 11.863 1.00 0.00 H new ATOM 0 HB ILE A 507 104.252 -10.883 10.602 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.556 -10.034 9.554 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.705 -9.245 11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.544 -9.566 8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 507 103.141 -9.011 9.474 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.657 -8.079 9.500 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.790 -11.437 11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 507 106.408 -11.413 12.254 1.00 0.00 H new ATOM 0 HD13 ILE A 507 106.257 -12.215 10.673 1.00 0.00 H new ATOM 1104 N ASN A 508 105.563 -10.290 13.707 1.00 0.00 N ATOM 1105 CA ASN A 508 105.792 -11.203 14.817 1.00 0.00 C ATOM 1106 C ASN A 508 105.005 -10.749 16.041 1.00 0.00 C ATOM 1107 O ASN A 508 104.434 -11.562 16.768 1.00 0.00 O ATOM 1108 CB ASN A 508 107.282 -11.273 15.153 1.00 0.00 C ATOM 1109 CG ASN A 508 108.043 -12.196 14.222 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.779 -13.397 14.167 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.996 -11.637 13.485 1.00 0.00 N ATOM 0 H ASN A 508 106.369 -9.718 13.455 1.00 0.00 H new ATOM 0 HA ASN A 508 105.452 -12.196 14.523 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.711 -10.272 15.099 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.404 -11.617 16.180 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.543 -12.208 12.841 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.181 -10.637 13.563 1.00 0.00 H new ATOM 1118 N ALA A 509 104.986 -9.439 16.254 1.00 0.00 N ATOM 1119 CA ALA A 509 104.278 -8.845 17.382 1.00 0.00 C ATOM 1120 C ALA A 509 102.770 -8.811 17.154 1.00 0.00 C ATOM 1121 O ALA A 509 101.993 -8.690 18.101 1.00 0.00 O ATOM 1122 CB ALA A 509 104.789 -7.440 17.661 1.00 0.00 C ATOM 0 H ALA A 509 105.458 -8.762 15.654 1.00 0.00 H new ATOM 0 HA ALA A 509 104.474 -9.476 18.249 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.246 -7.017 18.506 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.853 -7.480 17.896 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.635 -6.815 16.781 1.00 0.00 H new ATOM 1128 N TYR A 510 102.361 -8.887 15.892 1.00 0.00 N ATOM 1129 CA TYR A 510 100.944 -8.831 15.547 1.00 0.00 C ATOM 1130 C TYR A 510 100.159 -9.997 16.128 1.00 0.00 C ATOM 1131 O TYR A 510 98.940 -9.911 16.279 1.00 0.00 O ATOM 1132 CB TYR A 510 100.757 -8.790 14.036 1.00 0.00 C ATOM 1133 CG TYR A 510 100.217 -7.469 13.548 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.318 -7.401 12.492 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.611 -6.285 14.152 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.827 -6.186 12.051 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.125 -5.066 13.719 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.234 -5.022 12.667 1.00 0.00 C ATOM 1139 OH TYR A 510 98.747 -3.811 12.232 1.00 0.00 O ATOM 0 H TYR A 510 102.988 -8.987 15.093 1.00 0.00 H new ATOM 0 HA TYR A 510 100.553 -7.914 15.987 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.713 -8.988 13.551 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.077 -9.588 13.737 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.997 -8.311 12.008 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.310 -6.316 14.975 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.128 -6.149 11.228 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.441 -4.153 14.202 1.00 0.00 H new ATOM 0 HH TYR A 510 97.774 -3.788 12.350 1.00 0.00 H new ATOM 1149 N THR A 511 100.842 -11.080 16.470 1.00 0.00 N ATOM 1150 CA THR A 511 100.162 -12.226 17.049 1.00 0.00 C ATOM 1151 C THR A 511 99.268 -11.760 18.188 1.00 0.00 C ATOM 1152 O THR A 511 98.171 -12.280 18.394 1.00 0.00 O ATOM 1153 CB THR A 511 101.161 -13.271 17.579 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.914 -12.759 18.686 1.00 0.00 O ATOM 1155 CG2 THR A 511 102.133 -13.691 16.488 1.00 0.00 C ATOM 0 H THR A 511 101.850 -11.188 16.359 1.00 0.00 H new ATOM 0 HA THR A 511 99.566 -12.695 16.266 1.00 0.00 H new ATOM 0 HB THR A 511 100.577 -14.131 17.907 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.539 -13.445 19.002 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.829 -14.430 16.885 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.580 -14.125 15.655 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.688 -12.820 16.140 1.00 0.00 H new ATOM 1163 N GLU A 512 99.762 -10.773 18.927 1.00 0.00 N ATOM 1164 CA GLU A 512 99.034 -10.218 20.061 1.00 0.00 C ATOM 1165 C GLU A 512 97.751 -9.532 19.606 1.00 0.00 C ATOM 1166 O GLU A 512 96.755 -9.513 20.330 1.00 0.00 O ATOM 1167 CB GLU A 512 99.916 -9.224 20.818 1.00 0.00 C ATOM 1168 CG GLU A 512 101.062 -9.879 21.571 1.00 0.00 C ATOM 1169 CD GLU A 512 100.582 -10.874 22.610 1.00 0.00 C ATOM 1170 OE1 GLU A 512 100.916 -12.071 22.485 1.00 0.00 O ATOM 1171 OE2 GLU A 512 99.872 -10.456 23.548 1.00 0.00 O ATOM 0 H GLU A 512 100.670 -10.339 18.759 1.00 0.00 H new ATOM 0 HA GLU A 512 98.766 -11.039 20.725 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.323 -8.501 20.111 1.00 0.00 H new ATOM 0 HB3 GLU A 512 99.299 -8.668 21.524 1.00 0.00 H new ATOM 0 HG2 GLU A 512 101.715 -10.387 20.861 1.00 0.00 H new ATOM 0 HG3 GLU A 512 101.659 -9.109 22.059 1.00 0.00 H new ATOM 1178 N ILE A 513 97.782 -8.969 18.405 1.00 0.00 N ATOM 1179 CA ILE A 513 96.623 -8.281 17.854 1.00 0.00 C ATOM 1180 C ILE A 513 95.338 -9.056 18.128 1.00 0.00 C ATOM 1181 O ILE A 513 94.314 -8.472 18.486 1.00 0.00 O ATOM 1182 CB ILE A 513 96.766 -8.069 16.337 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.930 -7.123 16.039 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.473 -7.522 15.754 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.685 -5.704 16.501 1.00 0.00 C ATOM 0 H ILE A 513 98.598 -8.976 17.794 1.00 0.00 H new ATOM 0 HA ILE A 513 96.569 -7.310 18.347 1.00 0.00 H new ATOM 0 HB ILE A 513 96.975 -9.032 15.870 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.830 -7.504 16.521 1.00 0.00 H new ATOM 0 HG13 ILE A 513 98.120 -7.120 14.966 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.591 -7.378 14.680 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.663 -8.228 15.939 1.00 0.00 H new ATOM 0 HG23 ILE A 513 95.237 -6.568 16.225 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.551 -5.088 16.258 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.803 -5.305 15.999 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.524 -5.695 17.579 1.00 0.00 H new ATOM 1197 N ASN A 514 95.396 -10.372 17.953 1.00 0.00 N ATOM 1198 CA ASN A 514 94.236 -11.228 18.177 1.00 0.00 C ATOM 1199 C ASN A 514 93.665 -11.031 19.579 1.00 0.00 C ATOM 1200 O ASN A 514 92.481 -11.268 19.815 1.00 0.00 O ATOM 1201 CB ASN A 514 94.617 -12.695 17.972 1.00 0.00 C ATOM 1202 CG ASN A 514 93.460 -13.638 18.239 1.00 0.00 C ATOM 1203 OD1 ASN A 514 93.631 -14.689 18.857 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.274 -13.267 17.773 1.00 0.00 N ATOM 0 H ASN A 514 96.235 -10.870 17.656 1.00 0.00 H new ATOM 0 HA ASN A 514 93.469 -10.949 17.455 1.00 0.00 H new ATOM 0 HB2 ASN A 514 94.968 -12.836 16.950 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.447 -12.947 18.632 1.00 0.00 H new ATOM 0 HD21 ASN A 514 91.459 -13.862 17.922 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.178 -12.387 17.266 1.00 0.00 H new ATOM 1211 N LYS A 515 94.514 -10.601 20.507 1.00 0.00 N ATOM 1212 CA LYS A 515 94.089 -10.377 21.884 1.00 0.00 C ATOM 1213 C LYS A 515 92.878 -9.454 21.939 1.00 0.00 C ATOM 1214 O LYS A 515 92.073 -9.523 22.868 1.00 0.00 O ATOM 1215 CB LYS A 515 95.235 -9.781 22.705 1.00 0.00 C ATOM 1216 CG LYS A 515 95.475 -8.305 22.433 1.00 0.00 C ATOM 1217 CD LYS A 515 95.448 -7.491 23.716 1.00 0.00 C ATOM 1218 CE LYS A 515 96.753 -6.740 23.928 1.00 0.00 C ATOM 1219 NZ LYS A 515 96.917 -6.300 25.341 1.00 0.00 N ATOM 0 H LYS A 515 95.499 -10.401 20.331 1.00 0.00 H new ATOM 0 HA LYS A 515 93.808 -11.340 22.309 1.00 0.00 H new ATOM 0 HB2 LYS A 515 95.020 -9.916 23.765 1.00 0.00 H new ATOM 0 HB3 LYS A 515 96.150 -10.335 22.492 1.00 0.00 H new ATOM 0 HG2 LYS A 515 96.438 -8.177 21.940 1.00 0.00 H new ATOM 0 HG3 LYS A 515 94.714 -7.932 21.748 1.00 0.00 H new ATOM 0 HD2 LYS A 515 94.621 -6.782 23.681 1.00 0.00 H new ATOM 0 HD3 LYS A 515 95.266 -8.152 24.563 1.00 0.00 H new ATOM 0 HE2 LYS A 515 97.590 -7.380 23.648 1.00 0.00 H new ATOM 0 HE3 LYS A 515 96.782 -5.871 23.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 97.819 -5.792 25.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 96.132 -5.669 25.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 96.915 -7.131 25.966 1.00 0.00 H new ATOM 1233 N LYS A 516 92.754 -8.589 20.939 1.00 0.00 N ATOM 1234 CA LYS A 516 91.639 -7.651 20.877 1.00 0.00 C ATOM 1235 C LYS A 516 90.761 -7.925 19.661 1.00 0.00 C ATOM 1236 O LYS A 516 89.533 -7.893 19.751 1.00 0.00 O ATOM 1237 CB LYS A 516 92.158 -6.213 20.836 1.00 0.00 C ATOM 1238 CG LYS A 516 91.194 -5.202 21.434 1.00 0.00 C ATOM 1239 CD LYS A 516 91.393 -5.063 22.935 1.00 0.00 C ATOM 1240 CE LYS A 516 90.904 -6.296 23.679 1.00 0.00 C ATOM 1241 NZ LYS A 516 90.496 -5.976 25.075 1.00 0.00 N ATOM 0 H LYS A 516 93.410 -8.518 20.161 1.00 0.00 H new ATOM 0 HA LYS A 516 91.034 -7.786 21.773 1.00 0.00 H new ATOM 0 HB2 LYS A 516 93.105 -6.162 21.373 1.00 0.00 H new ATOM 0 HB3 LYS A 516 92.363 -5.939 19.801 1.00 0.00 H new ATOM 0 HG2 LYS A 516 91.338 -4.233 20.956 1.00 0.00 H new ATOM 0 HG3 LYS A 516 90.169 -5.510 21.229 1.00 0.00 H new ATOM 0 HD2 LYS A 516 92.450 -4.903 23.150 1.00 0.00 H new ATOM 0 HD3 LYS A 516 90.858 -4.184 23.294 1.00 0.00 H new ATOM 0 HE2 LYS A 516 90.060 -6.731 23.145 1.00 0.00 H new ATOM 0 HE3 LYS A 516 91.693 -7.048 23.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 90.169 -6.842 25.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 91.308 -5.584 25.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 89.725 -5.278 25.060 1.00 0.00 H new ATOM 1255 N HIS A 517 91.394 -8.193 18.524 1.00 0.00 N ATOM 1256 CA HIS A 517 90.664 -8.471 17.292 1.00 0.00 C ATOM 1257 C HIS A 517 91.507 -9.312 16.338 1.00 0.00 C ATOM 1258 O HIS A 517 92.655 -8.976 16.048 1.00 0.00 O ATOM 1259 CB HIS A 517 90.253 -7.163 16.614 1.00 0.00 C ATOM 1260 CG HIS A 517 90.187 -5.998 17.553 1.00 0.00 C ATOM 1261 ND1 HIS A 517 89.044 -5.651 18.242 1.00 0.00 N ATOM 1262 CD2 HIS A 517 91.131 -5.098 17.917 1.00 0.00 C ATOM 1263 CE1 HIS A 517 89.287 -4.588 18.989 1.00 0.00 C ATOM 1264 NE2 HIS A 517 90.546 -4.234 18.810 1.00 0.00 N ATOM 0 H HIS A 517 92.409 -8.224 18.430 1.00 0.00 H new ATOM 0 HA HIS A 517 89.768 -9.036 17.548 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.962 -6.938 15.817 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.278 -7.297 16.145 1.00 0.00 H new ATOM 0 HD1 HIS A 517 88.150 -6.139 18.184 1.00 0.00 H new ATOM 0 HD2 HIS A 517 92.153 -5.066 17.570 1.00 0.00 H new ATOM 0 HE1 HIS A 517 88.577 -4.094 19.635 1.00 0.00 H new ATOM 1273 N CYS A 518 90.928 -10.406 15.853 1.00 0.00 N ATOM 1274 CA CYS A 518 91.626 -11.296 14.931 1.00 0.00 C ATOM 1275 C CYS A 518 92.159 -10.522 13.730 1.00 0.00 C ATOM 1276 O CYS A 518 91.390 -9.930 12.973 1.00 0.00 O ATOM 1277 CB CYS A 518 90.691 -12.410 14.455 1.00 0.00 C ATOM 1278 SG CYS A 518 91.050 -14.031 15.170 1.00 0.00 S ATOM 0 H CYS A 518 89.978 -10.698 16.083 1.00 0.00 H new ATOM 0 HA CYS A 518 92.468 -11.739 15.462 1.00 0.00 H new ATOM 0 HB2 CYS A 518 89.664 -12.137 14.699 1.00 0.00 H new ATOM 0 HB3 CYS A 518 90.753 -12.482 13.369 1.00 0.00 H new ATOM 0 HG CYS A 518 92.328 -14.137 15.385 1.00 0.00 H new ATOM 1284 N TRP A 519 93.477 -10.530 13.558 1.00 0.00 N ATOM 1285 CA TRP A 519 94.095 -9.827 12.442 1.00 0.00 C ATOM 1286 C TRP A 519 95.207 -10.649 11.812 1.00 0.00 C ATOM 1287 O TRP A 519 95.945 -11.357 12.497 1.00 0.00 O ATOM 1288 CB TRP A 519 94.630 -8.469 12.887 1.00 0.00 C ATOM 1289 CG TRP A 519 94.333 -7.394 11.896 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.773 -7.570 10.669 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.571 -5.987 12.034 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.633 -6.369 10.036 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.122 -5.375 10.849 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.118 -5.183 13.041 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.202 -3.998 10.645 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.197 -3.819 12.835 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.741 -3.240 11.647 1.00 0.00 C ATOM 0 H TRP A 519 94.133 -11.012 14.173 1.00 0.00 H new ATOM 0 HA TRP A 519 93.324 -9.670 11.688 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.191 -8.205 13.849 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.708 -8.536 13.036 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.481 -8.524 10.255 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.230 -6.231 9.109 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.472 -5.621 13.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.851 -3.547 9.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 95.618 -3.189 13.605 1.00 0.00 H new ATOM 0 HH2 TRP A 519 94.816 -2.170 11.518 1.00 0.00 H new ATOM 1308 N LYS A 520 95.300 -10.558 10.493 1.00 0.00 N ATOM 1309 CA LYS A 520 96.298 -11.300 9.737 1.00 0.00 C ATOM 1310 C LYS A 520 97.381 -10.385 9.169 1.00 0.00 C ATOM 1311 O LYS A 520 97.087 -9.318 8.630 1.00 0.00 O ATOM 1312 CB LYS A 520 95.613 -12.045 8.603 1.00 0.00 C ATOM 1313 CG LYS A 520 94.211 -12.519 8.953 1.00 0.00 C ATOM 1314 CD LYS A 520 94.244 -13.677 9.938 1.00 0.00 C ATOM 1315 CE LYS A 520 93.256 -13.472 11.075 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.904 -14.756 11.740 1.00 0.00 N ATOM 0 H LYS A 520 94.691 -9.973 9.921 1.00 0.00 H new ATOM 0 HA LYS A 520 96.783 -12.002 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.561 -11.395 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.221 -12.906 8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.642 -11.693 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.693 -12.827 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.012 -14.606 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.250 -13.782 10.344 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.683 -12.788 11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.351 -13.002 10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 92.228 -14.575 12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 92.473 -15.400 11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 93.764 -15.192 12.130 1.00 0.00 H new ATOM 1330 N LEU A 521 98.633 -10.820 9.280 1.00 0.00 N ATOM 1331 CA LEU A 521 99.760 -10.051 8.762 1.00 0.00 C ATOM 1332 C LEU A 521 100.681 -10.942 7.936 1.00 0.00 C ATOM 1333 O LEU A 521 101.141 -11.982 8.407 1.00 0.00 O ATOM 1334 CB LEU A 521 100.546 -9.409 9.904 1.00 0.00 C ATOM 1335 CG LEU A 521 101.106 -8.018 9.599 1.00 0.00 C ATOM 1336 CD1 LEU A 521 100.004 -7.098 9.100 1.00 0.00 C ATOM 1337 CD2 LEU A 521 101.774 -7.431 10.832 1.00 0.00 C ATOM 0 H LEU A 521 98.893 -11.701 9.724 1.00 0.00 H new ATOM 0 HA LEU A 521 99.365 -9.262 8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 521 99.898 -9.340 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.373 -10.067 10.171 1.00 0.00 H new ATOM 0 HG LEU A 521 101.856 -8.113 8.814 1.00 0.00 H new ATOM 0 HD11 LEU A 521 100.420 -6.113 8.888 1.00 0.00 H new ATOM 0 HD12 LEU A 521 99.569 -7.512 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 521 99.231 -7.009 9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 521 102.167 -6.442 10.597 1.00 0.00 H new ATOM 0 HD22 LEU A 521 101.044 -7.350 11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 521 102.591 -8.080 11.147 1.00 0.00 H new ATOM 1349 N GLU A 522 100.945 -10.530 6.700 1.00 0.00 N ATOM 1350 CA GLU A 522 101.810 -11.296 5.812 1.00 0.00 C ATOM 1351 C GLU A 522 102.722 -10.374 5.011 1.00 0.00 C ATOM 1352 O GLU A 522 102.275 -9.372 4.452 1.00 0.00 O ATOM 1353 CB GLU A 522 100.971 -12.155 4.864 1.00 0.00 C ATOM 1354 CG GLU A 522 101.664 -13.438 4.435 1.00 0.00 C ATOM 1355 CD GLU A 522 102.176 -14.245 5.611 1.00 0.00 C ATOM 1356 OE1 GLU A 522 103.390 -14.173 5.897 1.00 0.00 O ATOM 1357 OE2 GLU A 522 101.364 -14.949 6.248 1.00 0.00 O ATOM 0 H GLU A 522 100.573 -9.672 6.292 1.00 0.00 H new ATOM 0 HA GLU A 522 102.432 -11.947 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.029 -12.406 5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.726 -11.570 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 522 100.969 -14.046 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.497 -13.194 3.776 1.00 0.00 H new ATOM 1364 N ILE A 523 104.004 -10.720 4.961 1.00 0.00 N ATOM 1365 CA ILE A 523 104.984 -9.926 4.232 1.00 0.00 C ATOM 1366 C ILE A 523 105.142 -10.425 2.799 1.00 0.00 C ATOM 1367 O ILE A 523 105.521 -11.574 2.569 1.00 0.00 O ATOM 1368 CB ILE A 523 106.358 -9.952 4.935 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.309 -9.126 6.221 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.450 -9.434 4.008 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.499 -9.350 7.127 1.00 0.00 C ATOM 0 H ILE A 523 104.388 -11.547 5.418 1.00 0.00 H new ATOM 0 HA ILE A 523 104.614 -8.901 4.213 1.00 0.00 H new ATOM 0 HB ILE A 523 106.594 -10.985 5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.253 -8.069 5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.397 -9.370 6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.409 -9.462 4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.499 -10.061 3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.224 -8.408 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.398 -8.733 8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.544 -10.400 7.415 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.414 -9.079 6.600 1.00 0.00 H new ATOM 1383 N LEU A 524 104.852 -9.551 1.841 1.00 0.00 N ATOM 1384 CA LEU A 524 104.966 -9.898 0.429 1.00 0.00 C ATOM 1385 C LEU A 524 106.418 -10.181 0.061 1.00 0.00 C ATOM 1386 O LEU A 524 107.330 -9.492 0.519 1.00 0.00 O ATOM 1387 CB LEU A 524 104.412 -8.767 -0.437 1.00 0.00 C ATOM 1388 CG LEU A 524 102.949 -8.930 -0.855 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.789 -10.131 -1.772 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.060 -9.069 0.372 1.00 0.00 C ATOM 0 H LEU A 524 104.536 -8.597 2.017 1.00 0.00 H new ATOM 0 HA LEU A 524 104.383 -10.801 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.516 -7.828 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.024 -8.684 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 524 102.643 -8.039 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.743 -10.232 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.399 -9.991 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 524 103.111 -11.032 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.022 -9.184 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.365 -9.945 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.155 -8.178 0.993 1.00 0.00 H new ATOM 1402 N SER A 525 106.629 -11.209 -0.753 1.00 0.00 N ATOM 1403 CA SER A 525 107.974 -11.596 -1.164 1.00 0.00 C ATOM 1404 C SER A 525 107.986 -12.137 -2.589 1.00 0.00 C ATOM 1405 O SER A 525 106.948 -12.518 -3.131 1.00 0.00 O ATOM 1406 CB SER A 525 108.545 -12.639 -0.202 1.00 0.00 C ATOM 1407 OG SER A 525 107.809 -13.848 -0.264 1.00 0.00 O ATOM 0 H SER A 525 105.886 -11.790 -1.142 1.00 0.00 H new ATOM 0 HA SER A 525 108.599 -10.704 -1.136 1.00 0.00 H new ATOM 0 HB2 SER A 525 109.589 -12.832 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.525 -12.249 0.816 1.00 0.00 H new ATOM 0 HG SER A 525 108.195 -14.498 0.359 1.00 0.00 H new ATOM 1413 N GLY A 526 109.174 -12.174 -3.186 1.00 0.00 N ATOM 1414 CA GLY A 526 109.316 -12.678 -4.538 1.00 0.00 C ATOM 1415 C GLY A 526 108.398 -11.987 -5.524 1.00 0.00 C ATOM 1416 O GLY A 526 108.072 -10.811 -5.364 1.00 0.00 O ATOM 0 H GLY A 526 110.044 -11.862 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.349 -12.551 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.109 -13.748 -4.545 1.00 0.00 H new ATOM 1420 N ASP A 527 107.986 -12.722 -6.551 1.00 0.00 N ATOM 1421 CA ASP A 527 107.105 -12.179 -7.576 1.00 0.00 C ATOM 1422 C ASP A 527 105.876 -11.523 -6.954 1.00 0.00 C ATOM 1423 O ASP A 527 105.320 -10.578 -7.512 1.00 0.00 O ATOM 1424 CB ASP A 527 106.672 -13.285 -8.540 1.00 0.00 C ATOM 1425 CG ASP A 527 107.440 -13.246 -9.847 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.044 -12.195 -10.150 1.00 0.00 O ATOM 1427 OD2 ASP A 527 107.438 -14.266 -10.567 1.00 0.00 O ATOM 0 H ASP A 527 108.249 -13.697 -6.695 1.00 0.00 H new ATOM 0 HA ASP A 527 107.658 -11.418 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.818 -14.255 -8.065 1.00 0.00 H new ATOM 0 HB3 ASP A 527 105.606 -13.188 -8.745 1.00 0.00 H new ATOM 1432 N HIS A 528 105.451 -12.027 -5.800 1.00 0.00 N ATOM 1433 CA HIS A 528 104.286 -11.472 -5.124 1.00 0.00 C ATOM 1434 C HIS A 528 104.542 -10.033 -4.688 1.00 0.00 C ATOM 1435 O HIS A 528 103.711 -9.151 -4.910 1.00 0.00 O ATOM 1436 CB HIS A 528 103.916 -12.327 -3.911 1.00 0.00 C ATOM 1437 CG HIS A 528 102.483 -12.761 -3.903 1.00 0.00 C ATOM 1438 ND1 HIS A 528 101.915 -13.463 -2.860 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.500 -12.591 -4.819 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.646 -13.706 -3.135 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.370 -13.187 -4.317 1.00 0.00 N ATOM 0 H HIS A 528 105.891 -12.811 -5.318 1.00 0.00 H new ATOM 0 HA HIS A 528 103.454 -11.476 -5.829 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.555 -13.210 -3.890 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.122 -11.762 -3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.589 -12.082 -5.767 1.00 0.00 H new ATOM 0 HE1 HIS A 528 99.953 -14.238 -2.501 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.463 -13.223 -4.782 1.00 0.00 H new ATOM 1450 N GLU A 529 105.701 -9.797 -4.075 1.00 0.00 N ATOM 1451 CA GLU A 529 106.062 -8.458 -3.621 1.00 0.00 C ATOM 1452 C GLU A 529 106.297 -7.531 -4.806 1.00 0.00 C ATOM 1453 O GLU A 529 105.817 -6.398 -4.829 1.00 0.00 O ATOM 1454 CB GLU A 529 107.314 -8.513 -2.741 1.00 0.00 C ATOM 1455 CG GLU A 529 108.050 -7.186 -2.646 1.00 0.00 C ATOM 1456 CD GLU A 529 109.354 -7.296 -1.879 1.00 0.00 C ATOM 1457 OE1 GLU A 529 109.385 -6.882 -0.701 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.342 -7.796 -2.456 1.00 0.00 O ATOM 0 H GLU A 529 106.402 -10.513 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 529 105.234 -8.064 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.030 -8.834 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.993 -9.268 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.254 -6.815 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.407 -6.452 -2.159 1.00 0.00 H new ATOM 1465 N GLN A 530 107.036 -8.026 -5.791 1.00 0.00 N ATOM 1466 CA GLN A 530 107.334 -7.248 -6.988 1.00 0.00 C ATOM 1467 C GLN A 530 106.057 -6.933 -7.759 1.00 0.00 C ATOM 1468 O GLN A 530 105.885 -5.828 -8.275 1.00 0.00 O ATOM 1469 CB GLN A 530 108.321 -8.004 -7.883 1.00 0.00 C ATOM 1470 CG GLN A 530 107.654 -8.937 -8.881 1.00 0.00 C ATOM 1471 CD GLN A 530 107.117 -8.206 -10.095 1.00 0.00 C ATOM 1472 OE1 GLN A 530 107.733 -7.260 -10.587 1.00 0.00 O ATOM 1473 NE2 GLN A 530 105.961 -8.639 -10.584 1.00 0.00 N ATOM 0 H GLN A 530 107.440 -8.962 -5.785 1.00 0.00 H new ATOM 0 HA GLN A 530 107.790 -6.307 -6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 530 108.931 -7.282 -8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 530 108.997 -8.583 -7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.372 -9.691 -9.204 1.00 0.00 H new ATOM 0 HG3 GLN A 530 106.837 -9.465 -8.389 1.00 0.00 H new ATOM 0 HE21 GLN A 530 105.484 -9.427 -10.145 1.00 0.00 H new ATOM 0 HE22 GLN A 530 105.550 -8.184 -11.399 1.00 0.00 H new ATOM 1482 N ARG A 531 105.163 -7.914 -7.831 1.00 0.00 N ATOM 1483 CA ARG A 531 103.898 -7.751 -8.537 1.00 0.00 C ATOM 1484 C ARG A 531 103.099 -6.588 -7.961 1.00 0.00 C ATOM 1485 O ARG A 531 102.691 -5.682 -8.689 1.00 0.00 O ATOM 1486 CB ARG A 531 103.076 -9.040 -8.456 1.00 0.00 C ATOM 1487 CG ARG A 531 101.707 -8.932 -9.110 1.00 0.00 C ATOM 1488 CD ARG A 531 100.596 -8.865 -8.074 1.00 0.00 C ATOM 1489 NE ARG A 531 99.301 -8.558 -8.679 1.00 0.00 N ATOM 1490 CZ ARG A 531 98.435 -9.481 -9.091 1.00 0.00 C ATOM 1491 NH1 ARG A 531 98.718 -10.771 -8.964 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.283 -9.112 -9.633 1.00 0.00 N ATOM 0 H ARG A 531 105.292 -8.833 -7.407 1.00 0.00 H new ATOM 0 HA ARG A 531 104.119 -7.533 -9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.634 -9.847 -8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 531 102.948 -9.314 -7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.673 -8.043 -9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.546 -9.790 -9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 531 100.533 -9.817 -7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.838 -8.105 -7.331 1.00 0.00 H new ATOM 0 HE ARG A 531 99.046 -7.577 -8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 531 99.604 -11.060 -8.549 1.00 0.00 H new ATOM 0 HH12 ARG A 531 98.050 -11.473 -9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.061 -8.122 -9.734 1.00 0.00 H new ATOM 0 HH22 ARG A 531 96.619 -9.818 -9.949 1.00 0.00 H new ATOM 1506 N TYR A 532 102.883 -6.614 -6.649 1.00 0.00 N ATOM 1507 CA TYR A 532 102.136 -5.555 -5.983 1.00 0.00 C ATOM 1508 C TYR A 532 102.785 -4.201 -6.244 1.00 0.00 C ATOM 1509 O TYR A 532 102.104 -3.216 -6.538 1.00 0.00 O ATOM 1510 CB TYR A 532 102.060 -5.828 -4.479 1.00 0.00 C ATOM 1511 CG TYR A 532 101.386 -4.725 -3.695 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.083 -3.579 -3.343 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.057 -4.832 -3.307 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.476 -2.567 -2.624 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.441 -3.824 -2.589 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.155 -2.694 -2.250 1.00 0.00 C ATOM 1517 OH TYR A 532 99.547 -1.689 -1.534 1.00 0.00 O ATOM 0 H TYR A 532 103.213 -7.354 -6.029 1.00 0.00 H new ATOM 0 HA TYR A 532 101.124 -5.536 -6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.520 -6.761 -4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.069 -5.972 -4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.117 -3.476 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.496 -5.716 -3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 532 102.033 -1.681 -2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.406 -3.921 -2.295 1.00 0.00 H new ATOM 0 HH TYR A 532 98.751 -1.380 -2.015 1.00 0.00 H new ATOM 1527 N TRP A 533 104.108 -4.159 -6.154 1.00 0.00 N ATOM 1528 CA TRP A 533 104.841 -2.927 -6.399 1.00 0.00 C ATOM 1529 C TRP A 533 104.623 -2.457 -7.828 1.00 0.00 C ATOM 1530 O TRP A 533 104.419 -1.269 -8.076 1.00 0.00 O ATOM 1531 CB TRP A 533 106.327 -3.118 -6.112 1.00 0.00 C ATOM 1532 CG TRP A 533 106.677 -2.792 -4.696 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.048 -3.669 -3.721 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.668 -1.494 -4.090 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.271 -2.997 -2.546 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.047 -1.660 -2.747 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.380 -0.208 -4.555 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.143 -0.587 -1.861 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.476 0.855 -3.677 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.855 0.660 -2.343 1.00 0.00 C ATOM 0 H TRP A 533 104.692 -4.960 -5.914 1.00 0.00 H new ATOM 0 HA TRP A 533 104.463 -2.160 -5.724 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.606 -4.150 -6.325 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.909 -2.486 -6.783 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.151 -4.736 -3.854 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.557 -3.424 -1.665 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.088 -0.048 -5.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.434 -0.736 -0.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.255 1.853 -4.026 1.00 0.00 H new ATOM 0 HH2 TRP A 533 106.921 1.511 -1.682 1.00 0.00 H new ATOM 1551 N GLN A 534 104.642 -3.398 -8.768 1.00 0.00 N ATOM 1552 CA GLN A 534 104.418 -3.064 -10.164 1.00 0.00 C ATOM 1553 C GLN A 534 103.159 -2.219 -10.278 1.00 0.00 C ATOM 1554 O GLN A 534 103.123 -1.224 -11.001 1.00 0.00 O ATOM 1555 CB GLN A 534 104.285 -4.332 -11.008 1.00 0.00 C ATOM 1556 CG GLN A 534 105.620 -4.914 -11.443 1.00 0.00 C ATOM 1557 CD GLN A 534 105.750 -5.016 -12.950 1.00 0.00 C ATOM 1558 OE1 GLN A 534 104.752 -5.101 -13.666 1.00 0.00 O ATOM 1559 NE2 GLN A 534 106.984 -5.008 -13.439 1.00 0.00 N ATOM 0 H GLN A 534 104.809 -4.388 -8.587 1.00 0.00 H new ATOM 0 HA GLN A 534 105.272 -2.499 -10.539 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.739 -5.083 -10.437 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.689 -4.109 -11.893 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.427 -4.293 -11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.740 -5.904 -11.004 1.00 0.00 H new ATOM 0 HE21 GLN A 534 107.782 -4.936 -12.808 1.00 0.00 H new ATOM 0 HE22 GLN A 534 107.134 -5.074 -14.446 1.00 0.00 H new ATOM 1568 N LYS A 535 102.132 -2.619 -9.532 1.00 0.00 N ATOM 1569 CA LYS A 535 100.871 -1.895 -9.515 1.00 0.00 C ATOM 1570 C LYS A 535 101.087 -0.488 -8.962 1.00 0.00 C ATOM 1571 O LYS A 535 100.518 0.482 -9.465 1.00 0.00 O ATOM 1572 CB LYS A 535 99.835 -2.660 -8.676 1.00 0.00 C ATOM 1573 CG LYS A 535 98.954 -1.776 -7.802 1.00 0.00 C ATOM 1574 CD LYS A 535 99.670 -1.370 -6.523 1.00 0.00 C ATOM 1575 CE LYS A 535 99.060 -2.044 -5.305 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.621 -1.700 -5.142 1.00 0.00 N ATOM 0 H LYS A 535 102.152 -3.443 -8.931 1.00 0.00 H new ATOM 0 HA LYS A 535 100.491 -1.811 -10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.198 -3.237 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.357 -3.374 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.666 -0.884 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 535 98.035 -2.308 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.725 -1.634 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.620 -0.288 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 535 99.167 -3.125 -5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.608 -1.744 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.368 -1.735 -4.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 97.449 -0.742 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 97.039 -2.382 -5.669 1.00 0.00 H new ATOM 1590 N ILE A 536 101.921 -0.384 -7.928 1.00 0.00 N ATOM 1591 CA ILE A 536 102.215 0.908 -7.319 1.00 0.00 C ATOM 1592 C ILE A 536 102.879 1.844 -8.323 1.00 0.00 C ATOM 1593 O ILE A 536 102.391 2.946 -8.577 1.00 0.00 O ATOM 1594 CB ILE A 536 103.136 0.765 -6.089 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.408 0.044 -4.951 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.620 2.134 -5.632 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.249 -0.124 -3.701 1.00 0.00 C ATOM 0 H ILE A 536 102.401 -1.175 -7.498 1.00 0.00 H new ATOM 0 HA ILE A 536 101.261 1.327 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 536 104.002 0.167 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.505 0.600 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.090 -0.939 -5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 536 104.269 2.019 -4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 536 104.175 2.612 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.763 2.753 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.668 -0.643 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.140 -0.706 -3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.545 0.856 -3.327 1.00 0.00 H new ATOM 1609 N LEU A 537 103.997 1.400 -8.891 1.00 0.00 N ATOM 1610 CA LEU A 537 104.728 2.201 -9.866 1.00 0.00 C ATOM 1611 C LEU A 537 103.793 2.715 -10.957 1.00 0.00 C ATOM 1612 O LEU A 537 103.804 3.902 -11.289 1.00 0.00 O ATOM 1613 CB LEU A 537 105.862 1.384 -10.488 1.00 0.00 C ATOM 1614 CG LEU A 537 107.241 1.614 -9.863 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.644 0.424 -9.005 1.00 0.00 C ATOM 1616 CD2 LEU A 537 108.281 1.872 -10.942 1.00 0.00 C ATOM 0 H LEU A 537 104.415 0.491 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 537 105.156 3.058 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.614 0.326 -10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 537 105.918 1.618 -11.551 1.00 0.00 H new ATOM 0 HG LEU A 537 107.185 2.495 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.626 0.606 -8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 537 106.913 0.286 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 537 107.681 -0.474 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 537 109.254 2.033 -10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 537 108.335 1.011 -11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 537 108.001 2.757 -11.514 1.00 0.00 H new ATOM 1628 N VAL A 538 102.978 1.819 -11.507 1.00 0.00 N ATOM 1629 CA VAL A 538 102.037 2.196 -12.553 1.00 0.00 C ATOM 1630 C VAL A 538 101.131 3.322 -12.076 1.00 0.00 C ATOM 1631 O VAL A 538 100.815 4.242 -12.831 1.00 0.00 O ATOM 1632 CB VAL A 538 101.164 1.005 -12.992 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.130 1.452 -14.014 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.029 -0.113 -13.553 1.00 0.00 C ATOM 0 H VAL A 538 102.951 0.833 -11.247 1.00 0.00 H new ATOM 0 HA VAL A 538 102.627 2.530 -13.407 1.00 0.00 H new ATOM 0 HB VAL A 538 100.637 0.621 -12.118 1.00 0.00 H new ATOM 0 HG11 VAL A 538 99.522 0.598 -14.313 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.490 2.217 -13.574 1.00 0.00 H new ATOM 0 HG13 VAL A 538 100.636 1.862 -14.888 1.00 0.00 H new ATOM 0 HG21 VAL A 538 101.395 -0.946 -13.858 1.00 0.00 H new ATOM 0 HG22 VAL A 538 102.585 0.255 -14.416 1.00 0.00 H new ATOM 0 HG23 VAL A 538 102.728 -0.451 -12.788 1.00 0.00 H new ATOM 1644 N ASP A 539 100.724 3.247 -10.813 1.00 0.00 N ATOM 1645 CA ASP A 539 99.865 4.267 -10.228 1.00 0.00 C ATOM 1646 C ASP A 539 100.587 5.607 -10.183 1.00 0.00 C ATOM 1647 O ASP A 539 99.981 6.659 -10.384 1.00 0.00 O ATOM 1648 CB ASP A 539 99.429 3.857 -8.820 1.00 0.00 C ATOM 1649 CG ASP A 539 98.481 4.861 -8.194 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.863 5.643 -8.946 1.00 0.00 O ATOM 1651 OD2 ASP A 539 98.357 4.865 -6.951 1.00 0.00 O ATOM 0 H ASP A 539 100.976 2.491 -10.176 1.00 0.00 H new ATOM 0 HA ASP A 539 98.977 4.368 -10.853 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.945 2.881 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 539 100.310 3.749 -8.187 1.00 0.00 H new ATOM 1656 N ARG A 540 101.890 5.559 -9.920 1.00 0.00 N ATOM 1657 CA ARG A 540 102.697 6.771 -9.854 1.00 0.00 C ATOM 1658 C ARG A 540 102.698 7.487 -11.198 1.00 0.00 C ATOM 1659 O ARG A 540 102.581 8.711 -11.259 1.00 0.00 O ATOM 1660 CB ARG A 540 104.131 6.433 -9.443 1.00 0.00 C ATOM 1661 CG ARG A 540 104.689 7.353 -8.369 1.00 0.00 C ATOM 1662 CD ARG A 540 103.739 7.470 -7.188 1.00 0.00 C ATOM 1663 NE ARG A 540 104.451 7.489 -5.913 1.00 0.00 N ATOM 1664 CZ ARG A 540 103.898 7.136 -4.758 1.00 0.00 C ATOM 1665 NH1 ARG A 540 102.635 6.735 -4.720 1.00 0.00 N ATOM 1666 NH2 ARG A 540 104.607 7.183 -3.639 1.00 0.00 N ATOM 0 H ARG A 540 102.407 4.696 -9.750 1.00 0.00 H new ATOM 0 HA ARG A 540 102.260 7.432 -9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 540 104.164 5.405 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 540 104.773 6.483 -10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 540 105.652 6.973 -8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 540 104.869 8.341 -8.792 1.00 0.00 H new ATOM 0 HD2 ARG A 540 103.148 8.381 -7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 540 103.040 6.634 -7.201 1.00 0.00 H new ATOM 0 HE ARG A 540 105.426 7.790 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 540 102.086 6.697 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 540 102.212 6.464 -3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 540 105.579 7.491 -3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 540 104.180 6.912 -2.753 1.00 0.00 H new ATOM 1680 N GLN A 541 102.820 6.719 -12.276 1.00 0.00 N ATOM 1681 CA GLN A 541 102.822 7.294 -13.616 1.00 0.00 C ATOM 1682 C GLN A 541 101.483 7.961 -13.908 1.00 0.00 C ATOM 1683 O GLN A 541 101.431 9.067 -14.447 1.00 0.00 O ATOM 1684 CB GLN A 541 103.107 6.215 -14.663 1.00 0.00 C ATOM 1685 CG GLN A 541 104.589 5.956 -14.882 1.00 0.00 C ATOM 1686 CD GLN A 541 105.003 4.562 -14.459 1.00 0.00 C ATOM 1687 OE1 GLN A 541 104.637 3.574 -15.095 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.771 4.475 -13.379 1.00 0.00 N ATOM 0 H GLN A 541 102.918 5.704 -12.249 1.00 0.00 H new ATOM 0 HA GLN A 541 103.610 8.046 -13.665 1.00 0.00 H new ATOM 0 HB2 GLN A 541 102.626 5.286 -14.356 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.655 6.510 -15.610 1.00 0.00 H new ATOM 0 HG2 GLN A 541 104.827 6.098 -15.936 1.00 0.00 H new ATOM 0 HG3 GLN A 541 105.169 6.689 -14.322 1.00 0.00 H new ATOM 0 HE21 GLN A 541 106.051 5.321 -12.882 1.00 0.00 H new ATOM 0 HE22 GLN A 541 106.081 3.562 -13.046 1.00 0.00 H new ATOM 1697 N ALA A 542 100.402 7.281 -13.538 1.00 0.00 N ATOM 1698 CA ALA A 542 99.059 7.803 -13.748 1.00 0.00 C ATOM 1699 C ALA A 542 98.834 9.071 -12.933 1.00 0.00 C ATOM 1700 O ALA A 542 98.048 9.937 -13.315 1.00 0.00 O ATOM 1701 CB ALA A 542 98.008 6.758 -13.399 1.00 0.00 C ATOM 0 H ALA A 542 100.432 6.365 -13.090 1.00 0.00 H new ATOM 0 HA ALA A 542 98.961 8.051 -14.805 1.00 0.00 H new ATOM 0 HB1 ALA A 542 97.014 7.173 -13.564 1.00 0.00 H new ATOM 0 HB2 ALA A 542 98.145 5.880 -14.030 1.00 0.00 H new ATOM 0 HB3 ALA A 542 98.112 6.472 -12.352 1.00 0.00 H new ATOM 1707 N LYS A 543 99.527 9.168 -11.803 1.00 0.00 N ATOM 1708 CA LYS A 543 99.403 10.324 -10.923 1.00 0.00 C ATOM 1709 C LYS A 543 99.752 11.615 -11.658 1.00 0.00 C ATOM 1710 O LYS A 543 99.429 12.707 -11.192 1.00 0.00 O ATOM 1711 CB LYS A 543 100.305 10.159 -9.699 1.00 0.00 C ATOM 1712 CG LYS A 543 99.564 10.294 -8.378 1.00 0.00 C ATOM 1713 CD LYS A 543 99.827 9.107 -7.466 1.00 0.00 C ATOM 1714 CE LYS A 543 98.829 7.985 -7.707 1.00 0.00 C ATOM 1715 NZ LYS A 543 97.706 8.020 -6.728 1.00 0.00 N ATOM 0 H LYS A 543 100.182 8.458 -11.475 1.00 0.00 H new ATOM 0 HA LYS A 543 98.365 10.387 -10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 543 100.784 9.181 -9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 543 101.099 10.905 -9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 543 99.873 11.213 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 543 98.494 10.378 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 543 100.839 8.737 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 543 99.771 9.427 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 543 98.431 8.064 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 543 99.340 7.024 -7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 97.048 7.239 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 98.083 7.919 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 97.202 8.926 -6.810 1.00 0.00 H new ATOM 1729 N LEU A 544 100.409 11.482 -12.807 1.00 0.00 N ATOM 1730 CA LEU A 544 100.796 12.641 -13.604 1.00 0.00 C ATOM 1731 C LEU A 544 99.732 13.731 -13.520 1.00 0.00 C ATOM 1732 O LEU A 544 100.044 14.921 -13.547 1.00 0.00 O ATOM 1733 CB LEU A 544 101.012 12.235 -15.063 1.00 0.00 C ATOM 1734 CG LEU A 544 101.268 13.394 -16.028 1.00 0.00 C ATOM 1735 CD1 LEU A 544 102.624 13.238 -16.698 1.00 0.00 C ATOM 1736 CD2 LEU A 544 100.162 13.474 -17.069 1.00 0.00 C ATOM 0 H LEU A 544 100.684 10.584 -13.206 1.00 0.00 H new ATOM 0 HA LEU A 544 101.730 13.034 -13.203 1.00 0.00 H new ATOM 0 HB2 LEU A 544 101.857 11.549 -15.112 1.00 0.00 H new ATOM 0 HB3 LEU A 544 100.135 11.685 -15.405 1.00 0.00 H new ATOM 0 HG LEU A 544 101.271 14.324 -15.459 1.00 0.00 H new ATOM 0 HD11 LEU A 544 102.790 14.071 -17.381 1.00 0.00 H new ATOM 0 HD12 LEU A 544 103.406 13.230 -15.939 1.00 0.00 H new ATOM 0 HD13 LEU A 544 102.649 12.301 -17.255 1.00 0.00 H new ATOM 0 HD21 LEU A 544 100.360 14.304 -17.747 1.00 0.00 H new ATOM 0 HD22 LEU A 544 100.127 12.543 -17.635 1.00 0.00 H new ATOM 0 HD23 LEU A 544 99.205 13.632 -16.572 1.00 0.00 H new ATOM 1748 N ASN A 545 98.475 13.312 -13.411 1.00 0.00 N ATOM 1749 CA ASN A 545 97.362 14.249 -13.314 1.00 0.00 C ATOM 1750 C ASN A 545 97.193 14.732 -11.877 1.00 0.00 C ATOM 1751 O ASN A 545 96.715 13.994 -11.016 1.00 0.00 O ATOM 1752 CB ASN A 545 96.069 13.591 -13.799 1.00 0.00 C ATOM 1753 CG ASN A 545 95.799 13.859 -15.267 1.00 0.00 C ATOM 1754 OD1 ASN A 545 94.673 14.169 -15.657 1.00 0.00 O ATOM 1755 ND2 ASN A 545 96.834 13.741 -16.090 1.00 0.00 N ATOM 0 H ASN A 545 98.202 12.329 -13.388 1.00 0.00 H new ATOM 0 HA ASN A 545 97.581 15.108 -13.948 1.00 0.00 H new ATOM 0 HB2 ASN A 545 96.128 12.515 -13.634 1.00 0.00 H new ATOM 0 HB3 ASN A 545 95.232 13.959 -13.205 1.00 0.00 H new ATOM 0 HD21 ASN A 545 96.713 13.909 -17.089 1.00 0.00 H new ATOM 0 HD22 ASN A 545 97.750 13.482 -15.724 1.00 0.00 H new ATOM 1762 N GLN A 546 97.591 15.974 -11.624 1.00 0.00 N ATOM 1763 CA GLN A 546 97.488 16.550 -10.290 1.00 0.00 C ATOM 1764 C GLN A 546 96.435 17.651 -10.249 1.00 0.00 C ATOM 1765 O GLN A 546 96.301 18.436 -11.187 1.00 0.00 O ATOM 1766 CB GLN A 546 98.840 17.109 -9.847 1.00 0.00 C ATOM 1767 CG GLN A 546 99.870 16.035 -9.536 1.00 0.00 C ATOM 1768 CD GLN A 546 99.635 15.374 -8.192 1.00 0.00 C ATOM 1769 OE1 GLN A 546 98.758 15.781 -7.430 1.00 0.00 O ATOM 1770 NE2 GLN A 546 100.421 14.345 -7.894 1.00 0.00 N ATOM 0 H GLN A 546 97.987 16.600 -12.325 1.00 0.00 H new ATOM 0 HA GLN A 546 97.186 15.758 -9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 546 99.230 17.758 -10.631 1.00 0.00 H new ATOM 0 HB3 GLN A 546 98.695 17.729 -8.962 1.00 0.00 H new ATOM 0 HG2 GLN A 546 99.847 15.277 -10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 546 100.866 16.477 -9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 546 101.136 14.041 -8.555 1.00 0.00 H new ATOM 0 HE22 GLN A 546 100.310 13.859 -7.004 1.00 0.00 H new ATOM 1779 N PRO A 547 95.677 17.720 -9.147 1.00 0.00 N ATOM 1780 CA PRO A 547 94.630 18.729 -8.965 1.00 0.00 C ATOM 1781 C PRO A 547 95.201 20.141 -8.933 1.00 0.00 C ATOM 1782 O PRO A 547 96.323 20.377 -9.379 1.00 0.00 O ATOM 1783 CB PRO A 547 94.012 18.369 -7.608 1.00 0.00 C ATOM 1784 CG PRO A 547 95.055 17.564 -6.911 1.00 0.00 C ATOM 1785 CD PRO A 547 95.788 16.820 -7.989 1.00 0.00 C ATOM 0 HA PRO A 547 93.911 18.725 -9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 547 93.759 19.264 -7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 547 93.091 17.799 -7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 547 95.733 18.206 -6.349 1.00 0.00 H new ATOM 0 HG3 PRO A 547 94.604 16.874 -6.197 1.00 0.00 H new ATOM 0 HD2 PRO A 547 96.828 16.638 -7.718 1.00 0.00 H new ATOM 0 HD3 PRO A 547 95.335 15.849 -8.188 1.00 0.00 H new ATOM 1793 N ARG A 548 94.425 21.080 -8.402 1.00 0.00 N ATOM 1794 CA ARG A 548 94.863 22.467 -8.315 1.00 0.00 C ATOM 1795 C ARG A 548 94.867 23.122 -9.692 1.00 0.00 C ATOM 1796 O ARG A 548 94.551 22.481 -10.695 1.00 0.00 O ATOM 1797 CB ARG A 548 96.261 22.540 -7.699 1.00 0.00 C ATOM 1798 CG ARG A 548 96.403 23.621 -6.640 1.00 0.00 C ATOM 1799 CD ARG A 548 97.758 23.556 -5.954 1.00 0.00 C ATOM 1800 NE ARG A 548 98.269 24.884 -5.629 1.00 0.00 N ATOM 1801 CZ ARG A 548 99.367 25.097 -4.912 1.00 0.00 C ATOM 1802 NH1 ARG A 548 100.061 24.072 -4.437 1.00 0.00 N ATOM 1803 NH2 ARG A 548 99.770 26.337 -4.667 1.00 0.00 N ATOM 0 H ARG A 548 93.493 20.906 -8.027 1.00 0.00 H new ATOM 0 HA ARG A 548 94.162 23.007 -7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 548 96.505 21.574 -7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 548 96.989 22.720 -8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 548 96.274 24.601 -7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 548 95.613 23.510 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 548 97.675 22.966 -5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 548 98.468 23.042 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 548 97.754 25.695 -5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 548 99.752 23.118 -4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 548 100.904 24.238 -3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 548 99.237 27.127 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 548 100.613 26.500 -4.116 1.00 0.00 H new ATOM 1817 N GLU A 549 95.228 24.401 -9.735 1.00 0.00 N ATOM 1818 CA GLU A 549 95.275 25.139 -10.993 1.00 0.00 C ATOM 1819 C GLU A 549 96.687 25.141 -11.568 1.00 0.00 C ATOM 1820 O GLU A 549 97.628 25.611 -10.929 1.00 0.00 O ATOM 1821 CB GLU A 549 94.795 26.579 -10.791 1.00 0.00 C ATOM 1822 CG GLU A 549 94.466 26.922 -9.347 1.00 0.00 C ATOM 1823 CD GLU A 549 93.872 28.308 -9.197 1.00 0.00 C ATOM 1824 OE1 GLU A 549 92.649 28.456 -9.404 1.00 0.00 O ATOM 1825 OE2 GLU A 549 94.630 29.247 -8.874 1.00 0.00 O ATOM 0 H GLU A 549 95.492 24.947 -8.915 1.00 0.00 H new ATOM 0 HA GLU A 549 94.611 24.640 -11.699 1.00 0.00 H new ATOM 0 HB2 GLU A 549 95.565 27.262 -11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 549 93.910 26.746 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 549 93.765 26.186 -8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 549 95.372 26.852 -8.746 1.00 0.00 H new ATOM 1832 N LYS A 550 96.828 24.610 -12.779 1.00 0.00 N ATOM 1833 CA LYS A 550 98.125 24.549 -13.441 1.00 0.00 C ATOM 1834 C LYS A 550 97.984 24.781 -14.942 1.00 0.00 C ATOM 1835 O LYS A 550 97.034 24.310 -15.567 1.00 0.00 O ATOM 1836 CB LYS A 550 98.787 23.194 -13.187 1.00 0.00 C ATOM 1837 CG LYS A 550 100.189 23.301 -12.611 1.00 0.00 C ATOM 1838 CD LYS A 550 100.223 24.214 -11.396 1.00 0.00 C ATOM 1839 CE LYS A 550 101.298 23.785 -10.410 1.00 0.00 C ATOM 1840 NZ LYS A 550 100.781 22.805 -9.416 1.00 0.00 N ATOM 0 H LYS A 550 96.059 24.216 -13.321 1.00 0.00 H new ATOM 0 HA LYS A 550 98.752 25.338 -13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 550 98.165 22.618 -12.502 1.00 0.00 H new ATOM 0 HB3 LYS A 550 98.829 22.638 -14.124 1.00 0.00 H new ATOM 0 HG2 LYS A 550 100.546 22.309 -12.333 1.00 0.00 H new ATOM 0 HG3 LYS A 550 100.869 23.682 -13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 550 100.408 25.240 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 550 99.251 24.204 -10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 550 102.134 23.344 -10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 550 101.683 24.661 -9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 101.545 22.538 -8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 100.000 23.234 -8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 100.437 21.958 -9.911 1.00 0.00 H new ATOM 1854 N LYS A 551 98.937 25.508 -15.515 1.00 0.00 N ATOM 1855 CA LYS A 551 98.922 25.800 -16.944 1.00 0.00 C ATOM 1856 C LYS A 551 97.755 26.714 -17.301 1.00 0.00 C ATOM 1857 O LYS A 551 96.931 27.047 -16.449 1.00 0.00 O ATOM 1858 CB LYS A 551 98.833 24.503 -17.750 1.00 0.00 C ATOM 1859 CG LYS A 551 100.186 23.955 -18.173 1.00 0.00 C ATOM 1860 CD LYS A 551 100.043 22.662 -18.960 1.00 0.00 C ATOM 1861 CE LYS A 551 101.332 21.856 -18.949 1.00 0.00 C ATOM 1862 NZ LYS A 551 102.432 22.557 -19.668 1.00 0.00 N ATOM 0 H LYS A 551 99.730 25.906 -15.012 1.00 0.00 H new ATOM 0 HA LYS A 551 99.851 26.312 -17.194 1.00 0.00 H new ATOM 0 HB2 LYS A 551 98.315 23.750 -17.155 1.00 0.00 H new ATOM 0 HB3 LYS A 551 98.227 24.678 -18.639 1.00 0.00 H new ATOM 0 HG2 LYS A 551 100.706 24.696 -18.780 1.00 0.00 H new ATOM 0 HG3 LYS A 551 100.800 23.779 -17.290 1.00 0.00 H new ATOM 0 HD2 LYS A 551 99.236 22.065 -18.536 1.00 0.00 H new ATOM 0 HD3 LYS A 551 99.764 22.890 -19.989 1.00 0.00 H new ATOM 0 HE2 LYS A 551 101.634 21.668 -17.919 1.00 0.00 H new ATOM 0 HE3 LYS A 551 101.157 20.885 -19.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 103.293 21.975 -19.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 102.155 22.714 -20.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 102.617 23.473 -19.211 1.00 0.00 H new ATOM 1876 N ARG A 552 97.692 27.116 -18.566 1.00 0.00 N ATOM 1877 CA ARG A 552 96.626 27.992 -19.039 1.00 0.00 C ATOM 1878 C ARG A 552 96.174 27.585 -20.437 1.00 0.00 C ATOM 1879 O ARG A 552 96.995 27.386 -21.332 1.00 0.00 O ATOM 1880 CB ARG A 552 97.101 29.446 -19.045 1.00 0.00 C ATOM 1881 CG ARG A 552 98.567 29.604 -19.415 1.00 0.00 C ATOM 1882 CD ARG A 552 98.976 31.067 -19.464 1.00 0.00 C ATOM 1883 NE ARG A 552 100.074 31.359 -18.547 1.00 0.00 N ATOM 1884 CZ ARG A 552 101.329 30.972 -18.753 1.00 0.00 C ATOM 1885 NH1 ARG A 552 101.641 30.283 -19.843 1.00 0.00 N ATOM 1886 NH2 ARG A 552 102.271 31.273 -17.871 1.00 0.00 N ATOM 0 H ARG A 552 98.367 26.849 -19.283 1.00 0.00 H new ATOM 0 HA ARG A 552 95.778 27.898 -18.360 1.00 0.00 H new ATOM 0 HB2 ARG A 552 96.494 30.015 -19.749 1.00 0.00 H new ATOM 0 HB3 ARG A 552 96.935 29.878 -18.058 1.00 0.00 H new ATOM 0 HG2 ARG A 552 99.185 29.077 -18.689 1.00 0.00 H new ATOM 0 HG3 ARG A 552 98.750 29.141 -20.385 1.00 0.00 H new ATOM 0 HD2 ARG A 552 99.273 31.326 -20.480 1.00 0.00 H new ATOM 0 HD3 ARG A 552 98.119 31.692 -19.214 1.00 0.00 H new ATOM 0 HE ARG A 552 99.867 31.890 -17.701 1.00 0.00 H new ATOM 0 HH11 ARG A 552 100.918 30.050 -20.523 1.00 0.00 H new ATOM 0 HH12 ARG A 552 102.604 29.986 -20.001 1.00 0.00 H new ATOM 0 HH21 ARG A 552 102.034 31.803 -17.032 1.00 0.00 H new ATOM 0 HH22 ARG A 552 103.233 30.975 -18.031 1.00 0.00 H new ATOM 1900 N GLY A 553 94.864 27.462 -20.618 1.00 0.00 N ATOM 1901 CA GLY A 553 94.329 27.077 -21.910 1.00 0.00 C ATOM 1902 C GLY A 553 93.198 26.074 -21.795 1.00 0.00 C ATOM 1903 O GLY A 553 92.448 26.082 -20.819 1.00 0.00 O ATOM 0 H GLY A 553 94.164 27.622 -19.894 1.00 0.00 H new ATOM 0 HA2 GLY A 553 93.971 27.965 -22.431 1.00 0.00 H new ATOM 0 HA3 GLY A 553 95.127 26.651 -22.518 1.00 0.00 H new ATOM 1907 N THR A 554 93.075 25.208 -22.795 1.00 0.00 N ATOM 1908 CA THR A 554 92.027 24.194 -22.803 1.00 0.00 C ATOM 1909 C THR A 554 92.464 22.942 -22.051 1.00 0.00 C ATOM 1910 O THR A 554 93.623 22.818 -21.652 1.00 0.00 O ATOM 1911 CB THR A 554 91.637 23.804 -24.241 1.00 0.00 C ATOM 1912 OG1 THR A 554 92.424 22.703 -24.715 1.00 0.00 O ATOM 1913 CG2 THR A 554 91.826 24.978 -25.191 1.00 0.00 C ATOM 0 H THR A 554 93.688 25.188 -23.610 1.00 0.00 H new ATOM 0 HA THR A 554 91.162 24.630 -22.303 1.00 0.00 H new ATOM 0 HB THR A 554 90.587 23.513 -24.217 1.00 0.00 H new ATOM 0 HG1 THR A 554 92.554 22.786 -25.683 1.00 0.00 H new ATOM 0 HG21 THR A 554 91.544 24.678 -26.200 1.00 0.00 H new ATOM 0 HG22 THR A 554 91.198 25.810 -24.871 1.00 0.00 H new ATOM 0 HG23 THR A 554 92.871 25.288 -25.183 1.00 0.00 H new ATOM 1921 N GLU A 555 91.530 22.016 -21.860 1.00 0.00 N ATOM 1922 CA GLU A 555 91.818 20.772 -21.155 1.00 0.00 C ATOM 1923 C GLU A 555 92.538 19.783 -22.066 1.00 0.00 C ATOM 1924 O GLU A 555 91.913 18.906 -22.661 1.00 0.00 O ATOM 1925 CB GLU A 555 90.526 20.146 -20.629 1.00 0.00 C ATOM 1926 CG GLU A 555 90.701 18.720 -20.131 1.00 0.00 C ATOM 1927 CD GLU A 555 90.233 17.687 -21.138 1.00 0.00 C ATOM 1928 OE1 GLU A 555 89.033 17.696 -21.485 1.00 0.00 O ATOM 1929 OE2 GLU A 555 91.067 16.870 -21.581 1.00 0.00 O ATOM 0 H GLU A 555 90.567 22.104 -22.184 1.00 0.00 H new ATOM 0 HA GLU A 555 92.470 21.006 -20.313 1.00 0.00 H new ATOM 0 HB2 GLU A 555 90.138 20.761 -19.817 1.00 0.00 H new ATOM 0 HB3 GLU A 555 89.778 20.156 -21.422 1.00 0.00 H new ATOM 0 HG2 GLU A 555 91.752 18.546 -19.900 1.00 0.00 H new ATOM 0 HG3 GLU A 555 90.146 18.593 -19.202 1.00 0.00 H new ATOM 1936 N LYS A 556 93.854 19.930 -22.170 1.00 0.00 N ATOM 1937 CA LYS A 556 94.656 19.047 -23.008 1.00 0.00 C ATOM 1938 C LYS A 556 96.133 19.139 -22.640 1.00 0.00 C ATOM 1939 O LYS A 556 96.716 20.224 -22.637 1.00 0.00 O ATOM 1940 CB LYS A 556 94.464 19.397 -24.485 1.00 0.00 C ATOM 1941 CG LYS A 556 93.087 19.040 -25.021 1.00 0.00 C ATOM 1942 CD LYS A 556 93.038 19.138 -26.537 1.00 0.00 C ATOM 1943 CE LYS A 556 91.622 19.374 -27.036 1.00 0.00 C ATOM 1944 NZ LYS A 556 91.267 20.820 -27.040 1.00 0.00 N ATOM 0 H LYS A 556 94.387 20.651 -21.685 1.00 0.00 H new ATOM 0 HA LYS A 556 94.321 18.024 -22.837 1.00 0.00 H new ATOM 0 HB2 LYS A 556 94.632 20.465 -24.621 1.00 0.00 H new ATOM 0 HB3 LYS A 556 95.220 18.878 -25.074 1.00 0.00 H new ATOM 0 HG2 LYS A 556 92.826 18.028 -24.712 1.00 0.00 H new ATOM 0 HG3 LYS A 556 92.342 19.708 -24.588 1.00 0.00 H new ATOM 0 HD2 LYS A 556 93.682 19.951 -26.871 1.00 0.00 H new ATOM 0 HD3 LYS A 556 93.431 18.220 -26.975 1.00 0.00 H new ATOM 0 HE2 LYS A 556 91.521 18.973 -28.045 1.00 0.00 H new ATOM 0 HE3 LYS A 556 90.920 18.830 -26.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 90.272 20.932 -27.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 91.403 21.214 -26.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 91.877 21.325 -27.714 1.00 0.00 H new ATOM 1958 N LEU A 557 96.733 17.995 -22.329 1.00 0.00 N ATOM 1959 CA LEU A 557 98.143 17.948 -21.959 1.00 0.00 C ATOM 1960 C LEU A 557 98.839 16.768 -22.626 1.00 0.00 C ATOM 1961 O LEU A 557 98.239 15.712 -22.825 1.00 0.00 O ATOM 1962 CB LEU A 557 98.290 17.850 -20.440 1.00 0.00 C ATOM 1963 CG LEU A 557 97.799 16.538 -19.826 1.00 0.00 C ATOM 1964 CD1 LEU A 557 98.960 15.765 -19.221 1.00 0.00 C ATOM 1965 CD2 LEU A 557 96.732 16.809 -18.777 1.00 0.00 C ATOM 0 H LEU A 557 96.265 17.089 -22.326 1.00 0.00 H new ATOM 0 HA LEU A 557 98.615 18.868 -22.303 1.00 0.00 H new ATOM 0 HB2 LEU A 557 99.341 17.983 -20.182 1.00 0.00 H new ATOM 0 HB3 LEU A 557 97.743 18.675 -19.983 1.00 0.00 H new ATOM 0 HG LEU A 557 97.358 15.931 -20.616 1.00 0.00 H new ATOM 0 HD11 LEU A 557 98.592 14.835 -18.789 1.00 0.00 H new ATOM 0 HD12 LEU A 557 99.691 15.540 -19.997 1.00 0.00 H new ATOM 0 HD13 LEU A 557 99.430 16.365 -18.442 1.00 0.00 H new ATOM 0 HD21 LEU A 557 96.393 15.865 -18.350 1.00 0.00 H new ATOM 0 HD22 LEU A 557 97.148 17.436 -17.988 1.00 0.00 H new ATOM 0 HD23 LEU A 557 95.888 17.321 -19.240 1.00 0.00 H new ATOM 1977 N ILE A 558 100.109 16.951 -22.969 1.00 0.00 N ATOM 1978 CA ILE A 558 100.884 15.898 -23.613 1.00 0.00 C ATOM 1979 C ILE A 558 102.301 15.834 -23.055 1.00 0.00 C ATOM 1980 O ILE A 558 103.247 16.313 -23.680 1.00 0.00 O ATOM 1981 CB ILE A 558 100.956 16.101 -25.138 1.00 0.00 C ATOM 1982 CG1 ILE A 558 101.292 17.558 -25.467 1.00 0.00 C ATOM 1983 CG2 ILE A 558 99.645 15.686 -25.791 1.00 0.00 C ATOM 1984 CD1 ILE A 558 100.075 18.444 -25.629 1.00 0.00 C ATOM 0 H ILE A 558 100.623 17.818 -22.812 1.00 0.00 H new ATOM 0 HA ILE A 558 100.370 14.960 -23.403 1.00 0.00 H new ATOM 0 HB ILE A 558 101.750 15.470 -25.537 1.00 0.00 H new ATOM 0 HG12 ILE A 558 101.922 17.963 -24.675 1.00 0.00 H new ATOM 0 HG13 ILE A 558 101.876 17.588 -26.387 1.00 0.00 H new ATOM 0 HG21 ILE A 558 99.712 15.835 -26.869 1.00 0.00 H new ATOM 0 HG22 ILE A 558 99.451 14.634 -25.582 1.00 0.00 H new ATOM 0 HG23 ILE A 558 98.832 16.291 -25.391 1.00 0.00 H new ATOM 0 HD11 ILE A 558 100.393 19.460 -25.861 1.00 0.00 H new ATOM 0 HD12 ILE A 558 99.454 18.064 -26.440 1.00 0.00 H new ATOM 0 HD13 ILE A 558 99.500 18.446 -24.703 1.00 0.00 H new ATOM 1996 N THR A 559 102.442 15.236 -21.877 1.00 0.00 N ATOM 1997 CA THR A 559 103.745 15.106 -21.236 1.00 0.00 C ATOM 1998 C THR A 559 104.442 16.457 -21.123 1.00 0.00 C ATOM 1999 O THR A 559 105.666 16.526 -21.007 1.00 0.00 O ATOM 2000 CB THR A 559 104.657 14.138 -22.013 1.00 0.00 C ATOM 2001 OG1 THR A 559 104.573 14.361 -23.427 1.00 0.00 O ATOM 2002 CG2 THR A 559 104.280 12.692 -21.731 1.00 0.00 C ATOM 0 H THR A 559 101.669 14.833 -21.347 1.00 0.00 H new ATOM 0 HA THR A 559 103.566 14.708 -20.237 1.00 0.00 H new ATOM 0 HB THR A 559 105.676 14.327 -21.677 1.00 0.00 H new ATOM 0 HG1 THR A 559 104.466 15.319 -23.601 1.00 0.00 H new ATOM 0 HG21 THR A 559 104.939 12.028 -22.291 1.00 0.00 H new ATOM 0 HG22 THR A 559 104.383 12.490 -20.665 1.00 0.00 H new ATOM 0 HG23 THR A 559 103.247 12.519 -22.034 1.00 0.00 H new ATOM 2010 N LYS A 560 103.658 17.528 -21.159 1.00 0.00 N ATOM 2011 CA LYS A 560 104.203 18.877 -21.061 1.00 0.00 C ATOM 2012 C LYS A 560 105.142 19.170 -22.227 1.00 0.00 C ATOM 2013 O LYS A 560 106.359 19.038 -22.104 1.00 0.00 O ATOM 2014 CB LYS A 560 104.949 19.051 -19.737 1.00 0.00 C ATOM 2015 CG LYS A 560 104.532 18.054 -18.669 1.00 0.00 C ATOM 2016 CD LYS A 560 104.396 18.720 -17.309 1.00 0.00 C ATOM 2017 CE LYS A 560 105.754 18.985 -16.679 1.00 0.00 C ATOM 2018 NZ LYS A 560 105.632 19.438 -15.266 1.00 0.00 N ATOM 0 H LYS A 560 102.643 17.489 -21.255 1.00 0.00 H new ATOM 0 HA LYS A 560 103.373 19.582 -21.100 1.00 0.00 H new ATOM 0 HB2 LYS A 560 106.019 18.952 -19.917 1.00 0.00 H new ATOM 0 HB3 LYS A 560 104.781 20.061 -19.365 1.00 0.00 H new ATOM 0 HG2 LYS A 560 103.583 17.596 -18.948 1.00 0.00 H new ATOM 0 HG3 LYS A 560 105.268 17.252 -18.611 1.00 0.00 H new ATOM 0 HD2 LYS A 560 103.854 19.660 -17.416 1.00 0.00 H new ATOM 0 HD3 LYS A 560 103.806 18.084 -16.649 1.00 0.00 H new ATOM 0 HE2 LYS A 560 106.356 18.077 -16.718 1.00 0.00 H new ATOM 0 HE3 LYS A 560 106.282 19.742 -17.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 106.580 19.608 -14.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 105.079 20.318 -15.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 105.152 18.705 -14.707 1.00 0.00 H new ATOM 2032 N ALA A 561 104.567 19.568 -23.357 1.00 0.00 N ATOM 2033 CA ALA A 561 105.354 19.880 -24.545 1.00 0.00 C ATOM 2034 C ALA A 561 104.467 20.427 -25.658 1.00 0.00 C ATOM 2035 O ALA A 561 103.378 19.857 -25.879 1.00 0.00 O ATOM 2036 CB ALA A 561 106.112 18.655 -25.033 1.00 0.00 C ATOM 2037 OXT ALA A 561 104.867 21.422 -26.298 1.00 0.00 O ATOM 0 H ALA A 561 103.560 19.682 -23.475 1.00 0.00 H new ATOM 0 HA ALA A 561 106.078 20.647 -24.270 1.00 0.00 H new ATOM 0 HB1 ALA A 561 106.691 18.914 -25.920 1.00 0.00 H new ATOM 0 HB2 ALA A 561 106.785 18.307 -24.249 1.00 0.00 H new ATOM 0 HB3 ALA A 561 105.404 17.864 -25.281 1.00 0.00 H new TER 2043 ALA A 561