USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=20 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 532 TYR OH : rot 169:sc= -1.31 USER MOD Set 1.2: A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 504 GLN : amide:sc= -2.3! C(o=-4.2!,f=-5.8!) USER MOD Set 2.2: A 508 ASN : amide:sc= -1.92! X(o=-4.2!,f=-3.8) USER MOD Set 3.1: A 474 THR OG1 : rot 6:sc= -1.14 USER MOD Set 3.2: A 510 TYR OH : rot 16:sc= -4! USER MOD Set 4.1: A 462 THR OG1 : rot -129:sc= 0.0244 USER MOD Set 4.2: A 518 CYS SG : rot 35:sc= 0.569 USER MOD Set 4.3: 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 439 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.089) USER MOD Single : A 440 HIS : no HD1:sc= -0.088 X(o=-0.088,f=-0.0078) USER MOD Single : A 441 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.4) USER MOD Single : A 442 HIS : no HD1:sc= -0.268 X(o=-0.27,f=-0.13) USER MOD Single : A 443 HIS : no HD1:sc= -0.807 X(o=-0.81,f=-1.1) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 445 ASN : amide:sc= -0.0245 K(o=-0.025,f=-1.8!) USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 450 GLN : amide:sc= -0.0088 K(o=-0.0088,f=-1.5) USER MOD Single : A 453 SER OG : rot -138:sc= -2.75! USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot -20:sc= -6.91! USER MOD Single : A 469 LYS NZ :NH3+ 158:sc= -0.0409 (180deg=-0.323) USER MOD Single : A 470 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.098) USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 USER MOD Single : A 493 CYS SG : rot -70:sc= -4.7! USER MOD Single : A 494 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-7.5!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= 0 USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 514 ASN : amide:sc= -0.791 K(o=-0.79,f=0) USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HD1:sc= -5.86! C(o=-5.9!,f=-6.9!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.868 K(o=-0.87,f=-1.9) USER MOD Single : A 530 GLN : amide:sc= -0.698 K(o=-0.7,f=0) USER MOD Single : A 534 GLN : amide:sc= -0.877 X(o=-0.88,f=-0.44) USER MOD Single : A 541 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.38) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -1.02 K(o=-1,f=-0.099) USER MOD Single : A 546 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.2!) 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 554 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 LYS NZ :NH3+ -150:sc= -0.603 (180deg=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 122.818 -7.823 -34.359 1.00 0.00 N ATOM 2 CA MET A 437 122.693 -6.457 -34.931 1.00 0.00 C ATOM 3 C MET A 437 121.594 -5.663 -34.232 1.00 0.00 C ATOM 4 O MET A 437 121.873 -4.762 -33.439 1.00 0.00 O ATOM 5 CB MET A 437 122.379 -6.582 -36.422 1.00 0.00 C ATOM 6 CG MET A 437 123.548 -6.218 -37.322 1.00 0.00 C ATOM 7 SD MET A 437 123.209 -4.775 -38.350 1.00 0.00 S ATOM 8 CE MET A 437 123.984 -3.481 -37.385 1.00 0.00 C ATOM 0 HA MET A 437 123.631 -5.922 -34.784 1.00 0.00 H new ATOM 0 HB2 MET A 437 122.072 -7.606 -36.636 1.00 0.00 H new ATOM 0 HB3 MET A 437 121.532 -5.939 -36.662 1.00 0.00 H new ATOM 0 HG2 MET A 437 124.428 -6.024 -36.708 1.00 0.00 H new ATOM 0 HG3 MET A 437 123.787 -7.067 -37.962 1.00 0.00 H new ATOM 0 HE1 MET A 437 123.859 -2.524 -37.892 1.00 0.00 H new ATOM 0 HE2 MET A 437 123.519 -3.433 -36.400 1.00 0.00 H new ATOM 0 HE3 MET A 437 125.047 -3.697 -37.274 1.00 0.00 H new ATOM 20 N HIS A 438 120.346 -6.000 -34.535 1.00 0.00 N ATOM 21 CA HIS A 438 119.203 -5.316 -33.939 1.00 0.00 C ATOM 22 C HIS A 438 118.207 -6.320 -33.367 1.00 0.00 C ATOM 23 O HIS A 438 117.110 -6.491 -33.897 1.00 0.00 O ATOM 24 CB HIS A 438 118.517 -4.432 -34.982 1.00 0.00 C ATOM 25 CG HIS A 438 117.908 -3.190 -34.409 1.00 0.00 C ATOM 26 ND1 HIS A 438 116.712 -3.185 -33.722 1.00 0.00 N ATOM 27 CD2 HIS A 438 118.334 -1.905 -34.427 1.00 0.00 C ATOM 28 CE1 HIS A 438 116.428 -1.951 -33.345 1.00 0.00 C ATOM 29 NE2 HIS A 438 117.397 -1.155 -33.760 1.00 0.00 N ATOM 0 H HIS A 438 120.099 -6.742 -35.190 1.00 0.00 H new ATOM 0 HA HIS A 438 119.566 -4.690 -33.124 1.00 0.00 H new ATOM 0 HB2 HIS A 438 119.245 -4.152 -35.743 1.00 0.00 H new ATOM 0 HB3 HIS A 438 117.740 -5.010 -35.482 1.00 0.00 H new ATOM 0 HD2 HIS A 438 119.242 -1.538 -34.882 1.00 0.00 H new ATOM 0 HE1 HIS A 438 115.552 -1.645 -32.792 1.00 0.00 H new ATOM 0 HE2 HIS A 438 117.442 -0.147 -33.609 1.00 0.00 H new ATOM 38 N HIS A 439 118.598 -6.981 -32.282 1.00 0.00 N ATOM 39 CA HIS A 439 117.739 -7.969 -31.637 1.00 0.00 C ATOM 40 C HIS A 439 118.072 -8.092 -30.154 1.00 0.00 C ATOM 41 O HIS A 439 117.179 -8.145 -29.308 1.00 0.00 O ATOM 42 CB HIS A 439 117.891 -9.326 -32.324 1.00 0.00 C ATOM 43 CG HIS A 439 116.652 -10.163 -32.274 1.00 0.00 C ATOM 44 ND1 HIS A 439 116.673 -11.542 -32.297 1.00 0.00 N ATOM 45 CD2 HIS A 439 115.346 -9.810 -32.201 1.00 0.00 C ATOM 46 CE1 HIS A 439 115.435 -12.001 -32.240 1.00 0.00 C ATOM 47 NE2 HIS A 439 114.613 -10.969 -32.181 1.00 0.00 N ATOM 0 H HIS A 439 119.504 -6.851 -31.831 1.00 0.00 H new ATOM 0 HA HIS A 439 116.705 -7.637 -31.730 1.00 0.00 H new ATOM 0 HB2 HIS A 439 118.171 -9.168 -33.365 1.00 0.00 H new ATOM 0 HB3 HIS A 439 118.708 -9.873 -31.854 1.00 0.00 H new ATOM 0 HD2 HIS A 439 114.955 -8.804 -32.165 1.00 0.00 H new ATOM 0 HE1 HIS A 439 115.145 -13.041 -32.241 1.00 0.00 H new ATOM 0 HE2 HIS A 439 113.596 -11.025 -32.129 1.00 0.00 H new ATOM 56 N HIS A 440 119.364 -8.134 -29.845 1.00 0.00 N ATOM 57 CA HIS A 440 119.819 -8.245 -28.464 1.00 0.00 C ATOM 58 C HIS A 440 119.790 -6.885 -27.776 1.00 0.00 C ATOM 59 O HIS A 440 119.198 -5.933 -28.288 1.00 0.00 O ATOM 60 CB HIS A 440 121.234 -8.823 -28.420 1.00 0.00 C ATOM 61 CG HIS A 440 121.394 -9.945 -27.442 1.00 0.00 C ATOM 62 ND1 HIS A 440 122.371 -9.961 -26.467 1.00 0.00 N ATOM 63 CD2 HIS A 440 120.695 -11.095 -27.290 1.00 0.00 C ATOM 64 CE1 HIS A 440 122.267 -11.072 -25.760 1.00 0.00 C ATOM 65 NE2 HIS A 440 121.259 -11.777 -26.239 1.00 0.00 N ATOM 0 H HIS A 440 120.115 -8.093 -30.534 1.00 0.00 H new ATOM 0 HA HIS A 440 119.143 -8.916 -27.933 1.00 0.00 H new ATOM 0 HB2 HIS A 440 121.503 -9.178 -29.415 1.00 0.00 H new ATOM 0 HB3 HIS A 440 121.934 -8.028 -28.165 1.00 0.00 H new ATOM 0 HD2 HIS A 440 119.852 -11.416 -27.884 1.00 0.00 H new ATOM 0 HE1 HIS A 440 122.899 -11.355 -24.931 1.00 0.00 H new ATOM 0 HE2 HIS A 440 120.949 -12.682 -25.886 1.00 0.00 H new ATOM 74 N HIS A 441 120.433 -6.795 -26.617 1.00 0.00 N ATOM 75 CA HIS A 441 120.479 -5.547 -25.865 1.00 0.00 C ATOM 76 C HIS A 441 121.429 -4.552 -26.525 1.00 0.00 C ATOM 77 O HIS A 441 122.427 -4.943 -27.129 1.00 0.00 O ATOM 78 CB HIS A 441 120.914 -5.810 -24.423 1.00 0.00 C ATOM 79 CG HIS A 441 119.771 -5.894 -23.461 1.00 0.00 C ATOM 80 ND1 HIS A 441 118.484 -6.211 -23.847 1.00 0.00 N ATOM 81 CD2 HIS A 441 119.720 -5.698 -22.122 1.00 0.00 C ATOM 82 CE1 HIS A 441 117.694 -6.205 -22.788 1.00 0.00 C ATOM 83 NE2 HIS A 441 118.420 -5.898 -21.730 1.00 0.00 N ATOM 0 H HIS A 441 120.929 -7.571 -26.178 1.00 0.00 H new ATOM 0 HA HIS A 441 119.477 -5.117 -25.859 1.00 0.00 H new ATOM 0 HB2 HIS A 441 121.479 -6.742 -24.386 1.00 0.00 H new ATOM 0 HB3 HIS A 441 121.589 -5.015 -24.105 1.00 0.00 H new ATOM 0 HD2 HIS A 441 120.548 -5.433 -21.482 1.00 0.00 H new ATOM 0 HE1 HIS A 441 116.635 -6.415 -22.788 1.00 0.00 H new ATOM 0 HE2 HIS A 441 118.071 -5.822 -20.775 1.00 0.00 H new ATOM 92 N HIS A 442 121.110 -3.267 -26.407 1.00 0.00 N ATOM 93 CA HIS A 442 121.938 -2.218 -26.996 1.00 0.00 C ATOM 94 C HIS A 442 122.765 -1.507 -25.930 1.00 0.00 C ATOM 95 O HIS A 442 123.929 -1.839 -25.711 1.00 0.00 O ATOM 96 CB HIS A 442 121.064 -1.209 -27.742 1.00 0.00 C ATOM 97 CG HIS A 442 120.910 -1.512 -29.202 1.00 0.00 C ATOM 98 ND1 HIS A 442 120.084 -0.792 -30.039 1.00 0.00 N ATOM 99 CD2 HIS A 442 121.485 -2.466 -29.974 1.00 0.00 C ATOM 100 CE1 HIS A 442 120.157 -1.289 -31.262 1.00 0.00 C ATOM 101 NE2 HIS A 442 121.000 -2.304 -31.248 1.00 0.00 N ATOM 0 H HIS A 442 120.287 -2.927 -25.910 1.00 0.00 H new ATOM 0 HA HIS A 442 122.623 -2.687 -27.702 1.00 0.00 H new ATOM 0 HB2 HIS A 442 120.078 -1.183 -27.279 1.00 0.00 H new ATOM 0 HB3 HIS A 442 121.495 -0.214 -27.629 1.00 0.00 H new ATOM 0 HD2 HIS A 442 122.193 -3.214 -29.648 1.00 0.00 H new ATOM 0 HE1 HIS A 442 119.619 -0.926 -32.125 1.00 0.00 H new ATOM 0 HE2 HIS A 442 121.251 -2.876 -32.054 1.00 0.00 H new ATOM 110 N HIS A 443 122.158 -0.524 -25.268 1.00 0.00 N ATOM 111 CA HIS A 443 122.847 0.230 -24.228 1.00 0.00 C ATOM 112 C HIS A 443 121.856 0.889 -23.273 1.00 0.00 C ATOM 113 O HIS A 443 121.928 2.092 -23.024 1.00 0.00 O ATOM 114 CB HIS A 443 123.748 1.298 -24.851 1.00 0.00 C ATOM 115 CG HIS A 443 124.455 2.148 -23.840 1.00 0.00 C ATOM 116 ND1 HIS A 443 124.266 3.511 -23.736 1.00 0.00 N ATOM 117 CD2 HIS A 443 125.353 1.821 -22.880 1.00 0.00 C ATOM 118 CE1 HIS A 443 125.019 3.984 -22.759 1.00 0.00 C ATOM 119 NE2 HIS A 443 125.687 2.980 -22.224 1.00 0.00 N ATOM 0 H HIS A 443 121.194 -0.233 -25.434 1.00 0.00 H new ATOM 0 HA HIS A 443 123.458 -0.472 -23.661 1.00 0.00 H new ATOM 0 HB2 HIS A 443 124.488 0.812 -25.486 1.00 0.00 H new ATOM 0 HB3 HIS A 443 123.146 1.939 -25.495 1.00 0.00 H new ATOM 0 HD2 HIS A 443 125.735 0.833 -22.670 1.00 0.00 H new ATOM 0 HE1 HIS A 443 125.078 5.017 -22.451 1.00 0.00 H new ATOM 0 HE2 HIS A 443 126.345 3.053 -21.448 1.00 0.00 H new ATOM 128 N SER A 444 120.937 0.094 -22.736 1.00 0.00 N ATOM 129 CA SER A 444 119.941 0.607 -21.804 1.00 0.00 C ATOM 130 C SER A 444 120.555 0.816 -20.424 1.00 0.00 C ATOM 131 O SER A 444 121.523 0.146 -20.058 1.00 0.00 O ATOM 132 CB SER A 444 118.756 -0.355 -21.711 1.00 0.00 C ATOM 133 OG SER A 444 118.377 -0.824 -22.993 1.00 0.00 O ATOM 0 H SER A 444 120.861 -0.905 -22.929 1.00 0.00 H new ATOM 0 HA SER A 444 119.587 1.568 -22.176 1.00 0.00 H new ATOM 0 HB2 SER A 444 119.019 -1.200 -21.074 1.00 0.00 H new ATOM 0 HB3 SER A 444 117.911 0.148 -21.240 1.00 0.00 H new ATOM 0 HG SER A 444 117.619 -1.438 -22.905 1.00 0.00 H new ATOM 139 N ASN A 445 119.993 1.747 -19.659 1.00 0.00 N ATOM 140 CA ASN A 445 120.496 2.039 -18.321 1.00 0.00 C ATOM 141 C ASN A 445 119.646 1.355 -17.257 1.00 0.00 C ATOM 142 O ASN A 445 118.564 0.843 -17.545 1.00 0.00 O ATOM 143 CB ASN A 445 120.521 3.549 -18.075 1.00 0.00 C ATOM 144 CG ASN A 445 119.400 4.274 -18.793 1.00 0.00 C ATOM 145 OD1 ASN A 445 118.264 3.803 -18.829 1.00 0.00 O ATOM 146 ND2 ASN A 445 119.717 5.428 -19.370 1.00 0.00 N ATOM 0 H ASN A 445 119.191 2.311 -19.942 1.00 0.00 H new ATOM 0 HA ASN A 445 121.513 1.651 -18.254 1.00 0.00 H new ATOM 0 HB2 ASN A 445 120.446 3.741 -17.005 1.00 0.00 H new ATOM 0 HB3 ASN A 445 121.479 3.951 -18.404 1.00 0.00 H new ATOM 0 HD21 ASN A 445 119.005 5.962 -19.868 1.00 0.00 H new ATOM 0 HD22 ASN A 445 120.673 5.780 -19.315 1.00 0.00 H new ATOM 153 N ALA A 446 120.143 1.349 -16.025 1.00 0.00 N ATOM 154 CA ALA A 446 119.433 0.729 -14.915 1.00 0.00 C ATOM 155 C ALA A 446 120.356 0.529 -13.720 1.00 0.00 C ATOM 156 O ALA A 446 120.841 -0.576 -13.474 1.00 0.00 O ATOM 157 CB ALA A 446 118.823 -0.600 -15.335 1.00 0.00 C ATOM 0 H ALA A 446 121.037 1.768 -15.771 1.00 0.00 H new ATOM 0 HA ALA A 446 118.628 1.402 -14.620 1.00 0.00 H new ATOM 0 HB1 ALA A 446 118.298 -1.043 -14.489 1.00 0.00 H new ATOM 0 HB2 ALA A 446 118.120 -0.436 -16.152 1.00 0.00 H new ATOM 0 HB3 ALA A 446 119.613 -1.275 -15.666 1.00 0.00 H new ATOM 163 N THR A 447 120.600 1.605 -12.981 1.00 0.00 N ATOM 164 CA THR A 447 121.467 1.547 -11.811 1.00 0.00 C ATOM 165 C THR A 447 120.658 1.344 -10.535 1.00 0.00 C ATOM 166 O THR A 447 119.460 1.066 -10.587 1.00 0.00 O ATOM 167 CB THR A 447 122.310 2.828 -11.674 1.00 0.00 C ATOM 168 OG1 THR A 447 122.051 3.743 -12.747 1.00 0.00 O ATOM 169 CG2 THR A 447 123.795 2.501 -11.671 1.00 0.00 C ATOM 0 H THR A 447 120.210 2.528 -13.172 1.00 0.00 H new ATOM 0 HA THR A 447 122.133 0.696 -11.953 1.00 0.00 H new ATOM 0 HB THR A 447 122.029 3.291 -10.728 1.00 0.00 H new ATOM 0 HG1 THR A 447 122.600 4.547 -12.631 1.00 0.00 H new ATOM 0 HG21 THR A 447 124.370 3.422 -11.573 1.00 0.00 H new ATOM 0 HG22 THR A 447 124.021 1.842 -10.833 1.00 0.00 H new ATOM 0 HG23 THR A 447 124.060 2.005 -12.605 1.00 0.00 H new ATOM 177 N GLY A 448 121.320 1.481 -9.392 1.00 0.00 N ATOM 178 CA GLY A 448 120.647 1.307 -8.119 1.00 0.00 C ATOM 179 C GLY A 448 119.845 0.022 -8.060 1.00 0.00 C ATOM 180 O GLY A 448 118.633 0.030 -8.273 1.00 0.00 O ATOM 0 H GLY A 448 122.312 1.710 -9.324 1.00 0.00 H new ATOM 0 HA2 GLY A 448 121.386 1.308 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 448 119.984 2.154 -7.943 1.00 0.00 H new ATOM 184 N PRO A 449 120.505 -1.109 -7.768 1.00 0.00 N ATOM 185 CA PRO A 449 119.842 -2.413 -7.680 1.00 0.00 C ATOM 186 C PRO A 449 118.643 -2.390 -6.738 1.00 0.00 C ATOM 187 O PRO A 449 118.544 -1.527 -5.865 1.00 0.00 O ATOM 188 CB PRO A 449 120.935 -3.332 -7.128 1.00 0.00 C ATOM 189 CG PRO A 449 122.215 -2.679 -7.523 1.00 0.00 C ATOM 190 CD PRO A 449 121.950 -1.200 -7.500 1.00 0.00 C ATOM 0 HA PRO A 449 119.443 -2.732 -8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 449 120.859 -3.431 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 449 120.857 -4.335 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 449 123.017 -2.942 -6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 449 122.529 -3.004 -8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 449 122.209 -0.760 -6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 449 122.533 -0.675 -8.257 1.00 0.00 H new ATOM 198 N GLN A 450 117.732 -3.340 -6.920 1.00 0.00 N ATOM 199 CA GLN A 450 116.540 -3.426 -6.085 1.00 0.00 C ATOM 200 C GLN A 450 115.737 -2.130 -6.147 1.00 0.00 C ATOM 201 O GLN A 450 116.228 -1.065 -5.773 1.00 0.00 O ATOM 202 CB GLN A 450 116.924 -3.732 -4.637 1.00 0.00 C ATOM 203 CG GLN A 450 115.922 -4.618 -3.916 1.00 0.00 C ATOM 204 CD GLN A 450 116.046 -6.078 -4.310 1.00 0.00 C ATOM 205 OE1 GLN A 450 116.967 -6.464 -5.029 1.00 0.00 O ATOM 206 NE2 GLN A 450 115.114 -6.898 -3.838 1.00 0.00 N ATOM 0 H GLN A 450 117.797 -4.061 -7.638 1.00 0.00 H new ATOM 0 HA GLN A 450 115.919 -4.236 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 450 117.900 -4.216 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 450 117.026 -2.794 -4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 450 116.066 -4.522 -2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 450 114.912 -4.271 -4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 450 114.368 -6.535 -3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 450 115.144 -7.891 -4.069 1.00 0.00 H new ATOM 215 N PHE A 451 114.502 -2.231 -6.622 1.00 0.00 N ATOM 216 CA PHE A 451 113.629 -1.071 -6.734 1.00 0.00 C ATOM 217 C PHE A 451 112.956 -0.762 -5.402 1.00 0.00 C ATOM 218 O PHE A 451 111.739 -0.591 -5.345 1.00 0.00 O ATOM 219 CB PHE A 451 112.567 -1.310 -7.808 1.00 0.00 C ATOM 220 CG PHE A 451 111.629 -2.443 -7.493 1.00 0.00 C ATOM 221 CD1 PHE A 451 110.553 -2.716 -8.322 1.00 0.00 C ATOM 222 CD2 PHE A 451 111.822 -3.237 -6.370 1.00 0.00 C ATOM 223 CE1 PHE A 451 109.687 -3.755 -8.040 1.00 0.00 C ATOM 224 CE2 PHE A 451 110.958 -4.278 -6.085 1.00 0.00 C ATOM 225 CZ PHE A 451 109.890 -4.538 -6.920 1.00 0.00 C ATOM 0 H PHE A 451 114.082 -3.106 -6.936 1.00 0.00 H new ATOM 0 HA PHE A 451 114.241 -0.215 -7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 451 111.987 -0.397 -7.942 1.00 0.00 H new ATOM 0 HB3 PHE A 451 113.063 -1.514 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 451 110.389 -2.109 -9.200 1.00 0.00 H new ATOM 0 HD2 PHE A 451 112.656 -3.039 -5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 451 108.852 -3.955 -8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 451 111.119 -4.888 -5.209 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.215 -5.351 -6.698 1.00 0.00 H new ATOM 235 N VAL A 452 113.762 -0.693 -4.339 1.00 0.00 N ATOM 236 CA VAL A 452 113.260 -0.408 -2.993 1.00 0.00 C ATOM 237 C VAL A 452 111.787 -0.779 -2.854 1.00 0.00 C ATOM 238 O VAL A 452 110.907 0.066 -3.014 1.00 0.00 O ATOM 239 CB VAL A 452 113.439 1.079 -2.634 1.00 0.00 C ATOM 240 CG1 VAL A 452 114.914 1.414 -2.473 1.00 0.00 C ATOM 241 CG2 VAL A 452 112.795 1.967 -3.689 1.00 0.00 C ATOM 0 H VAL A 452 114.771 -0.832 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 452 113.846 -1.018 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 452 112.940 1.267 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 452 115.022 2.469 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 452 115.341 0.804 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 452 115.438 1.210 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 452 112.932 3.014 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 452 113.261 1.779 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 452 111.730 1.745 -3.750 1.00 0.00 H new ATOM 251 N SER A 453 111.527 -2.053 -2.570 1.00 0.00 N ATOM 252 CA SER A 453 110.160 -2.548 -2.423 1.00 0.00 C ATOM 253 C SER A 453 109.481 -2.065 -1.132 1.00 0.00 C ATOM 254 O SER A 453 108.486 -2.651 -0.709 1.00 0.00 O ATOM 255 CB SER A 453 110.152 -4.077 -2.464 1.00 0.00 C ATOM 256 OG SER A 453 109.741 -4.621 -1.222 1.00 0.00 O ATOM 0 H SER A 453 112.247 -2.763 -2.437 1.00 0.00 H new ATOM 0 HA SER A 453 109.588 -2.142 -3.258 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.482 -4.419 -3.253 1.00 0.00 H new ATOM 0 HB3 SER A 453 111.149 -4.442 -2.712 1.00 0.00 H new ATOM 0 HG SER A 453 110.306 -5.390 -0.999 1.00 0.00 H new ATOM 262 N GLY A 454 110.003 -1.002 -0.514 1.00 0.00 N ATOM 263 CA GLY A 454 109.412 -0.478 0.708 1.00 0.00 C ATOM 264 C GLY A 454 108.765 -1.545 1.574 1.00 0.00 C ATOM 265 O GLY A 454 107.793 -1.271 2.280 1.00 0.00 O ATOM 0 H GLY A 454 110.826 -0.495 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.184 0.030 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.664 0.271 0.448 1.00 0.00 H new ATOM 269 N VAL A 455 109.299 -2.761 1.520 1.00 0.00 N ATOM 270 CA VAL A 455 108.765 -3.870 2.303 1.00 0.00 C ATOM 271 C VAL A 455 107.247 -3.774 2.438 1.00 0.00 C ATOM 272 O VAL A 455 106.735 -3.153 3.370 1.00 0.00 O ATOM 273 CB VAL A 455 109.387 -3.927 3.713 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.845 -5.342 4.035 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.545 -2.945 3.837 1.00 0.00 C ATOM 0 H VAL A 455 110.103 -3.004 0.941 1.00 0.00 H new ATOM 0 HA VAL A 455 109.025 -4.781 1.763 1.00 0.00 H new ATOM 0 HB VAL A 455 108.623 -3.639 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 455 110.282 -5.365 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.991 -6.018 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.591 -5.658 3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 455 110.967 -3.004 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.313 -3.194 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.185 -1.933 3.654 1.00 0.00 H new ATOM 285 N ILE A 456 106.534 -4.396 1.504 1.00 0.00 N ATOM 286 CA ILE A 456 105.075 -4.387 1.521 1.00 0.00 C ATOM 287 C ILE A 456 104.535 -5.272 2.640 1.00 0.00 C ATOM 288 O ILE A 456 104.885 -6.448 2.737 1.00 0.00 O ATOM 289 CB ILE A 456 104.490 -4.856 0.176 1.00 0.00 C ATOM 290 CG1 ILE A 456 104.946 -3.932 -0.953 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.971 -4.902 0.249 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.591 -2.478 -0.724 1.00 0.00 C ATOM 0 H ILE A 456 106.943 -4.913 0.726 1.00 0.00 H new ATOM 0 HA ILE A 456 104.767 -3.356 1.696 1.00 0.00 H new ATOM 0 HB ILE A 456 104.856 -5.861 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.026 -4.020 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.496 -4.265 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.571 -5.235 -0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.665 -5.596 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.587 -3.907 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 456 104.945 -1.880 -1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.509 -2.377 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.063 -2.128 0.194 1.00 0.00 H new ATOM 304 N VAL A 457 103.668 -4.705 3.474 1.00 0.00 N ATOM 305 CA VAL A 457 103.065 -5.448 4.574 1.00 0.00 C ATOM 306 C VAL A 457 101.571 -5.645 4.335 1.00 0.00 C ATOM 307 O VAL A 457 100.766 -4.766 4.644 1.00 0.00 O ATOM 308 CB VAL A 457 103.272 -4.735 5.923 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.415 -5.377 7.004 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.742 -4.754 6.318 1.00 0.00 C ATOM 0 H VAL A 457 103.368 -3.732 3.408 1.00 0.00 H new ATOM 0 HA VAL A 457 103.561 -6.418 4.614 1.00 0.00 H new ATOM 0 HB VAL A 457 102.962 -3.696 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.575 -4.860 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.364 -5.306 6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.692 -6.426 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.869 -4.246 7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 457 105.081 -5.786 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.330 -4.244 5.555 1.00 0.00 H new ATOM 320 N LYS A 458 101.204 -6.794 3.778 1.00 0.00 N ATOM 321 CA LYS A 458 99.804 -7.091 3.493 1.00 0.00 C ATOM 322 C LYS A 458 99.025 -7.385 4.773 1.00 0.00 C ATOM 323 O LYS A 458 99.285 -8.375 5.456 1.00 0.00 O ATOM 324 CB LYS A 458 99.700 -8.281 2.536 1.00 0.00 C ATOM 325 CG LYS A 458 98.275 -8.763 2.313 1.00 0.00 C ATOM 326 CD LYS A 458 98.247 -10.132 1.651 1.00 0.00 C ATOM 327 CE LYS A 458 96.837 -10.524 1.240 1.00 0.00 C ATOM 328 NZ LYS A 458 96.691 -11.998 1.087 1.00 0.00 N ATOM 0 H LYS A 458 101.855 -7.534 3.515 1.00 0.00 H new ATOM 0 HA LYS A 458 99.366 -6.210 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 458 100.135 -8.003 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.296 -9.105 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.752 -8.809 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.740 -8.046 1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.894 -10.126 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.647 -10.878 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.129 -10.165 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.584 -10.035 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.715 -12.223 0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 97.349 -12.338 0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.907 -12.464 1.991 1.00 0.00 H new ATOM 342 N ILE A 459 98.048 -6.533 5.072 1.00 0.00 N ATOM 343 CA ILE A 459 97.204 -6.716 6.249 1.00 0.00 C ATOM 344 C ILE A 459 95.769 -7.029 5.843 1.00 0.00 C ATOM 345 O ILE A 459 95.136 -6.262 5.119 1.00 0.00 O ATOM 346 CB ILE A 459 97.211 -5.483 7.172 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.642 -5.154 7.605 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.325 -5.729 8.389 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.726 -4.027 8.612 1.00 0.00 C ATOM 0 H ILE A 459 97.821 -5.709 4.515 1.00 0.00 H new ATOM 0 HA ILE A 459 97.623 -7.557 6.802 1.00 0.00 H new ATOM 0 HB ILE A 459 96.812 -4.630 6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 459 99.098 -6.047 8.033 1.00 0.00 H new ATOM 0 HG13 ILE A 459 99.227 -4.888 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.339 -4.850 9.033 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.303 -5.923 8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.699 -6.590 8.943 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.769 -3.849 8.873 1.00 0.00 H new ATOM 0 HD12 ILE A 459 98.300 -3.121 8.181 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.169 -4.298 9.509 1.00 0.00 H new ATOM 361 N ILE A 460 95.256 -8.150 6.328 1.00 0.00 N ATOM 362 CA ILE A 460 93.888 -8.550 6.031 1.00 0.00 C ATOM 363 C ILE A 460 93.161 -8.972 7.302 1.00 0.00 C ATOM 364 O ILE A 460 93.714 -9.690 8.137 1.00 0.00 O ATOM 365 CB ILE A 460 93.838 -9.687 4.988 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.430 -9.799 4.390 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.281 -11.008 5.600 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.562 -10.851 5.049 1.00 0.00 C ATOM 0 H ILE A 460 95.766 -8.798 6.928 1.00 0.00 H new ATOM 0 HA ILE A 460 93.383 -7.683 5.606 1.00 0.00 H new ATOM 0 HB ILE A 460 94.533 -9.448 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.934 -8.832 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.515 -10.026 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.236 -11.792 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.303 -10.915 5.966 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.621 -11.265 6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.583 -10.868 4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 460 92.033 -11.828 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.444 -10.615 6.107 1.00 0.00 H new ATOM 380 N SER A 461 91.924 -8.515 7.455 1.00 0.00 N ATOM 381 CA SER A 461 91.134 -8.842 8.636 1.00 0.00 C ATOM 382 C SER A 461 89.885 -9.626 8.258 1.00 0.00 C ATOM 383 O SER A 461 89.755 -10.112 7.134 1.00 0.00 O ATOM 384 CB SER A 461 90.737 -7.571 9.384 1.00 0.00 C ATOM 385 OG SER A 461 89.783 -6.826 8.647 1.00 0.00 O ATOM 0 H SER A 461 91.447 -7.919 6.779 1.00 0.00 H new ATOM 0 HA SER A 461 91.751 -9.462 9.287 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.326 -7.832 10.359 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.621 -6.959 9.564 1.00 0.00 H new ATOM 0 HG SER A 461 89.815 -7.094 7.705 1.00 0.00 H new ATOM 391 N THR A 462 88.966 -9.741 9.209 1.00 0.00 N ATOM 392 CA THR A 462 87.723 -10.465 8.985 1.00 0.00 C ATOM 393 C THR A 462 86.526 -9.521 9.010 1.00 0.00 C ATOM 394 O THR A 462 85.418 -9.902 8.636 1.00 0.00 O ATOM 395 CB THR A 462 87.514 -11.565 10.041 1.00 0.00 C ATOM 396 OG1 THR A 462 87.718 -11.062 11.368 1.00 0.00 O ATOM 397 CG2 THR A 462 88.474 -12.722 9.813 1.00 0.00 C ATOM 0 H THR A 462 89.059 -9.342 10.143 1.00 0.00 H new ATOM 0 HA THR A 462 87.800 -10.927 8.001 1.00 0.00 H new ATOM 0 HB THR A 462 86.485 -11.910 9.940 1.00 0.00 H new ATOM 0 HG1 THR A 462 88.338 -11.650 11.849 1.00 0.00 H new ATOM 0 HG21 THR A 462 88.308 -13.487 10.571 1.00 0.00 H new ATOM 0 HG22 THR A 462 88.303 -13.148 8.824 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.501 -12.362 9.880 1.00 0.00 H new ATOM 405 N GLU A 463 86.761 -8.288 9.450 1.00 0.00 N ATOM 406 CA GLU A 463 85.703 -7.287 9.524 1.00 0.00 C ATOM 407 C GLU A 463 86.048 -6.195 10.532 1.00 0.00 C ATOM 408 O GLU A 463 85.860 -5.008 10.265 1.00 0.00 O ATOM 409 CB GLU A 463 84.376 -7.946 9.910 1.00 0.00 C ATOM 410 CG GLU A 463 83.456 -8.208 8.729 1.00 0.00 C ATOM 411 CD GLU A 463 82.291 -7.239 8.673 1.00 0.00 C ATOM 412 OE1 GLU A 463 81.667 -7.003 9.729 1.00 0.00 O ATOM 413 OE2 GLU A 463 82.005 -6.716 7.576 1.00 0.00 O ATOM 0 H GLU A 463 87.675 -7.959 9.761 1.00 0.00 H new ATOM 0 HA GLU A 463 85.606 -6.829 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.583 -8.890 10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 463 83.859 -7.308 10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 463 84.028 -8.137 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.074 -9.227 8.789 1.00 0.00 H new ATOM 420 N PRO A 464 86.552 -6.587 11.712 1.00 0.00 N ATOM 421 CA PRO A 464 86.917 -5.642 12.773 1.00 0.00 C ATOM 422 C PRO A 464 87.772 -4.483 12.267 1.00 0.00 C ATOM 423 O PRO A 464 87.848 -3.433 12.908 1.00 0.00 O ATOM 424 CB PRO A 464 87.711 -6.506 13.751 1.00 0.00 C ATOM 425 CG PRO A 464 87.166 -7.880 13.564 1.00 0.00 C ATOM 426 CD PRO A 464 86.795 -7.986 12.110 1.00 0.00 C ATOM 0 HA PRO A 464 86.039 -5.166 13.211 1.00 0.00 H new ATOM 0 HB2 PRO A 464 88.779 -6.470 13.535 1.00 0.00 H new ATOM 0 HB3 PRO A 464 87.581 -6.164 14.778 1.00 0.00 H new ATOM 0 HG2 PRO A 464 87.906 -8.633 13.833 1.00 0.00 H new ATOM 0 HG3 PRO A 464 86.297 -8.045 14.201 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.596 -8.436 11.524 1.00 0.00 H new ATOM 0 HD3 PRO A 464 85.908 -8.604 11.966 1.00 0.00 H new ATOM 434 N LEU A 465 88.418 -4.673 11.120 1.00 0.00 N ATOM 435 CA LEU A 465 89.265 -3.634 10.545 1.00 0.00 C ATOM 436 C LEU A 465 88.649 -2.256 10.762 1.00 0.00 C ATOM 437 O LEU A 465 87.711 -1.867 10.067 1.00 0.00 O ATOM 438 CB LEU A 465 89.478 -3.880 9.049 1.00 0.00 C ATOM 439 CG LEU A 465 90.935 -3.816 8.585 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.240 -4.956 7.626 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.223 -2.474 7.930 1.00 0.00 C ATOM 0 H LEU A 465 88.371 -5.533 10.573 1.00 0.00 H new ATOM 0 HA LEU A 465 90.231 -3.669 11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.074 -4.860 8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.901 -3.144 8.489 1.00 0.00 H new ATOM 0 HG LEU A 465 91.581 -3.921 9.457 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.280 -4.894 7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.070 -5.909 8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.588 -4.883 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.263 -2.443 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.569 -2.342 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.043 -1.673 8.647 1.00 0.00 H new ATOM 453 N PRO A 466 89.173 -1.502 11.739 1.00 0.00 N ATOM 454 CA PRO A 466 88.674 -0.160 12.061 1.00 0.00 C ATOM 455 C PRO A 466 88.815 0.816 10.898 1.00 0.00 C ATOM 456 O PRO A 466 87.886 1.559 10.585 1.00 0.00 O ATOM 457 CB PRO A 466 89.549 0.282 13.239 1.00 0.00 C ATOM 458 CG PRO A 466 90.754 -0.597 13.187 1.00 0.00 C ATOM 459 CD PRO A 466 90.288 -1.902 12.610 1.00 0.00 C ATOM 0 HA PRO A 466 87.608 -0.175 12.288 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.825 1.333 13.151 1.00 0.00 H new ATOM 0 HB3 PRO A 466 89.020 0.169 14.186 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.534 -0.153 12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 466 91.177 -0.739 14.181 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.079 -2.400 12.049 1.00 0.00 H new ATOM 0 HD3 PRO A 466 89.964 -2.594 13.388 1.00 0.00 H new ATOM 467 N GLY A 467 89.979 0.809 10.257 1.00 0.00 N ATOM 468 CA GLY A 467 90.208 1.701 9.135 1.00 0.00 C ATOM 469 C GLY A 467 91.673 2.042 8.952 1.00 0.00 C ATOM 470 O GLY A 467 92.534 1.512 9.654 1.00 0.00 O ATOM 0 H GLY A 467 90.765 0.204 10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.830 1.237 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.641 2.620 9.284 1.00 0.00 H new ATOM 474 N ARG A 468 91.957 2.937 8.012 1.00 0.00 N ATOM 475 CA ARG A 468 93.325 3.359 7.745 1.00 0.00 C ATOM 476 C ARG A 468 93.929 4.040 8.973 1.00 0.00 C ATOM 477 O ARG A 468 95.095 3.825 9.307 1.00 0.00 O ATOM 478 CB ARG A 468 93.354 4.296 6.526 1.00 0.00 C ATOM 479 CG ARG A 468 94.136 5.586 6.736 1.00 0.00 C ATOM 480 CD ARG A 468 94.509 6.236 5.415 1.00 0.00 C ATOM 481 NE ARG A 468 93.578 7.299 5.047 1.00 0.00 N ATOM 482 CZ ARG A 468 93.877 8.276 4.197 1.00 0.00 C ATOM 483 NH1 ARG A 468 95.077 8.324 3.635 1.00 0.00 N ATOM 484 NH2 ARG A 468 92.977 9.205 3.909 1.00 0.00 N ATOM 0 H ARG A 468 91.256 3.384 7.422 1.00 0.00 H new ATOM 0 HA ARG A 468 93.929 2.479 7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 468 93.785 3.759 5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 468 92.329 4.548 6.254 1.00 0.00 H new ATOM 0 HG2 ARG A 468 93.540 6.281 7.328 1.00 0.00 H new ATOM 0 HG3 ARG A 468 95.041 5.375 7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 468 95.517 6.645 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 468 94.524 5.480 4.630 1.00 0.00 H new ATOM 0 HE ARG A 468 92.648 7.291 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 468 95.772 7.611 3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 468 95.305 9.074 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 468 92.053 9.171 4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 468 93.208 9.954 3.256 1.00 0.00 H new ATOM 498 N LYS A 469 93.128 4.873 9.630 1.00 0.00 N ATOM 499 CA LYS A 469 93.578 5.603 10.809 1.00 0.00 C ATOM 500 C LYS A 469 93.980 4.653 11.933 1.00 0.00 C ATOM 501 O LYS A 469 95.015 4.841 12.575 1.00 0.00 O ATOM 502 CB LYS A 469 92.474 6.546 11.296 1.00 0.00 C ATOM 503 CG LYS A 469 91.146 5.849 11.548 1.00 0.00 C ATOM 504 CD LYS A 469 89.980 6.647 10.987 1.00 0.00 C ATOM 505 CE LYS A 469 88.685 6.333 11.721 1.00 0.00 C ATOM 506 NZ LYS A 469 88.697 6.847 13.118 1.00 0.00 N ATOM 0 H LYS A 469 92.161 5.059 9.364 1.00 0.00 H new ATOM 0 HA LYS A 469 94.456 6.185 10.527 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.801 7.030 12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.327 7.333 10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 469 91.162 4.859 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.007 5.705 12.620 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.195 7.713 11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 469 89.862 6.424 9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 469 87.846 6.772 11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 469 88.527 5.255 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 87.720 6.956 13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 89.203 6.176 13.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 89.177 7.769 13.144 1.00 0.00 H new ATOM 520 N GLN A 470 93.159 3.638 12.170 1.00 0.00 N ATOM 521 CA GLN A 470 93.436 2.670 13.223 1.00 0.00 C ATOM 522 C GLN A 470 94.501 1.668 12.791 1.00 0.00 C ATOM 523 O GLN A 470 95.406 1.346 13.563 1.00 0.00 O ATOM 524 CB GLN A 470 92.153 1.939 13.621 1.00 0.00 C ATOM 525 CG GLN A 470 91.261 2.744 14.554 1.00 0.00 C ATOM 526 CD GLN A 470 91.868 2.924 15.931 1.00 0.00 C ATOM 527 OE1 GLN A 470 92.030 4.046 16.410 1.00 0.00 O ATOM 528 NE2 GLN A 470 92.207 1.815 16.579 1.00 0.00 N ATOM 0 H GLN A 470 92.299 3.464 11.650 1.00 0.00 H new ATOM 0 HA GLN A 470 93.819 3.215 14.086 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.592 1.689 12.720 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.415 0.998 14.104 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.071 3.723 14.114 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.297 2.245 14.649 1.00 0.00 H new ATOM 0 HE21 GLN A 470 92.055 0.904 16.145 1.00 0.00 H new ATOM 0 HE22 GLN A 470 92.619 1.874 17.510 1.00 0.00 H new ATOM 537 N VAL A 471 94.396 1.173 11.560 1.00 0.00 N ATOM 538 CA VAL A 471 95.364 0.208 11.053 1.00 0.00 C ATOM 539 C VAL A 471 96.749 0.835 10.945 1.00 0.00 C ATOM 540 O VAL A 471 97.747 0.243 11.362 1.00 0.00 O ATOM 541 CB VAL A 471 94.948 -0.335 9.673 1.00 0.00 C ATOM 542 CG1 VAL A 471 96.087 -1.121 9.041 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.699 -1.196 9.796 1.00 0.00 C ATOM 0 H VAL A 471 93.658 1.422 10.902 1.00 0.00 H new ATOM 0 HA VAL A 471 95.393 -0.619 11.763 1.00 0.00 H new ATOM 0 HB VAL A 471 94.719 0.510 9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.773 -1.496 8.067 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.953 -0.471 8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 471 96.352 -1.960 9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.418 -1.572 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.900 -2.035 10.462 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.883 -0.598 10.202 1.00 0.00 H new ATOM 553 N ARG A 472 96.805 2.046 10.399 1.00 0.00 N ATOM 554 CA ARG A 472 98.069 2.754 10.261 1.00 0.00 C ATOM 555 C ARG A 472 98.651 3.066 11.636 1.00 0.00 C ATOM 556 O ARG A 472 99.851 2.914 11.861 1.00 0.00 O ATOM 557 CB ARG A 472 97.886 4.037 9.447 1.00 0.00 C ATOM 558 CG ARG A 472 97.441 5.235 10.267 1.00 0.00 C ATOM 559 CD ARG A 472 97.003 6.383 9.371 1.00 0.00 C ATOM 560 NE ARG A 472 97.658 7.637 9.723 1.00 0.00 N ATOM 561 CZ ARG A 472 97.712 8.692 8.917 1.00 0.00 C ATOM 562 NH1 ARG A 472 97.159 8.638 7.712 1.00 0.00 N ATOM 563 NH2 ARG A 472 98.318 9.801 9.314 1.00 0.00 N ATOM 0 H ARG A 472 95.993 2.554 10.047 1.00 0.00 H new ATOM 0 HA ARG A 472 98.769 2.112 9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.827 4.278 8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.152 3.855 8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.618 4.946 10.921 1.00 0.00 H new ATOM 0 HG3 ARG A 472 98.258 5.563 10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 472 97.227 6.137 8.333 1.00 0.00 H new ATOM 0 HD3 ARG A 472 95.922 6.507 9.444 1.00 0.00 H new ATOM 0 HE ARG A 472 98.100 7.709 10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 472 96.691 7.786 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 472 97.201 9.449 7.095 1.00 0.00 H new ATOM 0 HH21 ARG A 472 98.744 9.846 10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 472 98.359 10.610 8.694 1.00 0.00 H new ATOM 577 N ASP A 473 97.786 3.490 12.555 1.00 0.00 N ATOM 578 CA ASP A 473 98.213 3.810 13.912 1.00 0.00 C ATOM 579 C ASP A 473 98.722 2.560 14.620 1.00 0.00 C ATOM 580 O ASP A 473 99.689 2.616 15.379 1.00 0.00 O ATOM 581 CB ASP A 473 97.060 4.426 14.707 1.00 0.00 C ATOM 582 CG ASP A 473 97.543 5.207 15.914 1.00 0.00 C ATOM 583 OD1 ASP A 473 98.688 5.706 15.878 1.00 0.00 O ATOM 584 OD2 ASP A 473 96.777 5.321 16.894 1.00 0.00 O ATOM 0 H ASP A 473 96.789 3.619 12.384 1.00 0.00 H new ATOM 0 HA ASP A 473 99.024 4.535 13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.485 5.086 14.057 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.385 3.635 15.035 1.00 0.00 H new ATOM 589 N THR A 474 98.070 1.429 14.361 1.00 0.00 N ATOM 590 CA THR A 474 98.468 0.167 14.968 1.00 0.00 C ATOM 591 C THR A 474 99.864 -0.231 14.502 1.00 0.00 C ATOM 592 O THR A 474 100.842 -0.081 15.237 1.00 0.00 O ATOM 593 CB THR A 474 97.477 -0.965 14.628 1.00 0.00 C ATOM 594 OG1 THR A 474 97.098 -0.930 13.247 1.00 0.00 O ATOM 595 CG2 THR A 474 96.218 -0.857 15.474 1.00 0.00 C ATOM 0 H THR A 474 97.266 1.363 13.736 1.00 0.00 H new ATOM 0 HA THR A 474 98.468 0.314 16.048 1.00 0.00 H new ATOM 0 HB THR A 474 97.987 -1.905 14.840 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.620 -0.244 12.782 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.535 -1.666 15.215 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.482 -0.928 16.529 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.733 0.101 15.285 1.00 0.00 H new ATOM 603 N LEU A 475 99.956 -0.748 13.282 1.00 0.00 N ATOM 604 CA LEU A 475 101.242 -1.166 12.741 1.00 0.00 C ATOM 605 C LEU A 475 102.317 -0.126 13.045 1.00 0.00 C ATOM 606 O LEU A 475 103.442 -0.473 13.404 1.00 0.00 O ATOM 607 CB LEU A 475 101.139 -1.385 11.230 1.00 0.00 C ATOM 608 CG LEU A 475 100.483 -0.243 10.455 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.536 0.594 9.745 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.472 -0.791 9.458 1.00 0.00 C ATOM 0 H LEU A 475 99.164 -0.886 12.655 1.00 0.00 H new ATOM 0 HA LEU A 475 101.522 -2.106 13.216 1.00 0.00 H new ATOM 0 HB2 LEU A 475 102.141 -1.545 10.832 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.574 -2.299 11.048 1.00 0.00 H new ATOM 0 HG LEU A 475 99.957 0.398 11.162 1.00 0.00 H new ATOM 0 HD11 LEU A 475 101.050 1.402 9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 475 102.223 1.014 10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.090 -0.034 9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.013 0.035 8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 475 99.977 -1.453 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.701 -1.347 9.991 1.00 0.00 H new ATOM 622 N ALA A 476 101.963 1.151 12.913 1.00 0.00 N ATOM 623 CA ALA A 476 102.903 2.230 13.190 1.00 0.00 C ATOM 624 C ALA A 476 103.207 2.308 14.682 1.00 0.00 C ATOM 625 O ALA A 476 104.270 2.778 15.089 1.00 0.00 O ATOM 626 CB ALA A 476 102.371 3.564 12.688 1.00 0.00 C ATOM 0 H ALA A 476 101.037 1.461 12.618 1.00 0.00 H new ATOM 0 HA ALA A 476 103.828 2.012 12.657 1.00 0.00 H new ATOM 0 HB1 ALA A 476 103.093 4.350 12.909 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.211 3.510 11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.427 3.789 13.184 1.00 0.00 H new ATOM 632 N ALA A 477 102.263 1.839 15.492 1.00 0.00 N ATOM 633 CA ALA A 477 102.423 1.848 16.939 1.00 0.00 C ATOM 634 C ALA A 477 103.470 0.828 17.363 1.00 0.00 C ATOM 635 O ALA A 477 104.142 0.996 18.381 1.00 0.00 O ATOM 636 CB ALA A 477 101.100 1.569 17.638 1.00 0.00 C ATOM 0 H ALA A 477 101.378 1.448 15.169 1.00 0.00 H new ATOM 0 HA ALA A 477 102.760 2.842 17.235 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.249 1.582 18.718 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.375 2.335 17.363 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.728 0.591 17.335 1.00 0.00 H new ATOM 642 N ILE A 478 103.611 -0.225 16.564 1.00 0.00 N ATOM 643 CA ILE A 478 104.588 -1.268 16.846 1.00 0.00 C ATOM 644 C ILE A 478 105.978 -0.828 16.403 1.00 0.00 C ATOM 645 O ILE A 478 106.987 -1.226 16.986 1.00 0.00 O ATOM 646 CB ILE A 478 104.227 -2.586 16.135 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.713 -2.802 16.158 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.944 -3.755 16.792 1.00 0.00 C ATOM 649 CD1 ILE A 478 102.131 -2.849 17.553 1.00 0.00 C ATOM 0 H ILE A 478 103.062 -0.377 15.718 1.00 0.00 H new ATOM 0 HA ILE A 478 104.580 -1.438 17.923 1.00 0.00 H new ATOM 0 HB ILE A 478 104.552 -2.524 15.096 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.231 -2.000 15.599 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.479 -3.734 15.644 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.679 -4.679 16.279 1.00 0.00 H new ATOM 0 HG22 ILE A 478 106.021 -3.602 16.731 1.00 0.00 H new ATOM 0 HG23 ILE A 478 104.646 -3.823 17.838 1.00 0.00 H new ATOM 0 HD11 ILE A 478 101.054 -3.005 17.493 1.00 0.00 H new ATOM 0 HD12 ILE A 478 102.586 -3.669 18.109 1.00 0.00 H new ATOM 0 HD13 ILE A 478 102.334 -1.908 18.064 1.00 0.00 H new ATOM 661 N SER A 479 106.016 0.004 15.367 1.00 0.00 N ATOM 662 CA SER A 479 107.271 0.517 14.833 1.00 0.00 C ATOM 663 C SER A 479 107.005 1.649 13.843 1.00 0.00 C ATOM 664 O SER A 479 105.891 1.794 13.340 1.00 0.00 O ATOM 665 CB SER A 479 108.059 -0.602 14.152 1.00 0.00 C ATOM 666 OG SER A 479 109.450 -0.327 14.164 1.00 0.00 O ATOM 0 H SER A 479 105.186 0.339 14.878 1.00 0.00 H new ATOM 0 HA SER A 479 107.863 0.907 15.661 1.00 0.00 H new ATOM 0 HB2 SER A 479 107.868 -1.547 14.660 1.00 0.00 H new ATOM 0 HB3 SER A 479 107.717 -0.718 13.124 1.00 0.00 H new ATOM 0 HG SER A 479 109.932 -1.058 13.724 1.00 0.00 H new ATOM 672 N GLU A 480 108.030 2.450 13.573 1.00 0.00 N ATOM 673 CA GLU A 480 107.900 3.571 12.647 1.00 0.00 C ATOM 674 C GLU A 480 107.873 3.087 11.200 1.00 0.00 C ATOM 675 O GLU A 480 108.825 2.468 10.725 1.00 0.00 O ATOM 676 CB GLU A 480 109.050 4.560 12.845 1.00 0.00 C ATOM 677 CG GLU A 480 109.272 5.481 11.656 1.00 0.00 C ATOM 678 CD GLU A 480 110.396 5.006 10.754 1.00 0.00 C ATOM 679 OE1 GLU A 480 110.121 4.695 9.576 1.00 0.00 O ATOM 680 OE2 GLU A 480 111.551 4.947 11.227 1.00 0.00 O ATOM 0 H GLU A 480 108.959 2.345 13.981 1.00 0.00 H new ATOM 0 HA GLU A 480 106.956 4.074 12.858 1.00 0.00 H new ATOM 0 HB2 GLU A 480 108.850 5.164 13.730 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.967 4.004 13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 480 108.351 5.550 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 480 109.499 6.485 12.016 1.00 0.00 H new ATOM 687 N VAL A 481 106.780 3.380 10.504 1.00 0.00 N ATOM 688 CA VAL A 481 106.630 2.983 9.109 1.00 0.00 C ATOM 689 C VAL A 481 106.667 4.197 8.190 1.00 0.00 C ATOM 690 O VAL A 481 106.527 5.333 8.641 1.00 0.00 O ATOM 691 CB VAL A 481 105.313 2.219 8.875 1.00 0.00 C ATOM 692 CG1 VAL A 481 105.325 0.891 9.616 1.00 0.00 C ATOM 693 CG2 VAL A 481 104.120 3.064 9.295 1.00 0.00 C ATOM 0 H VAL A 481 105.984 3.892 10.884 1.00 0.00 H new ATOM 0 HA VAL A 481 107.467 2.324 8.877 1.00 0.00 H new ATOM 0 HB VAL A 481 105.222 2.011 7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 481 104.386 0.367 9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 481 106.155 0.282 9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.443 1.072 10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 481 103.200 2.506 9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.202 3.308 10.354 1.00 0.00 H new ATOM 0 HG23 VAL A 481 104.102 3.984 8.711 1.00 0.00 H new ATOM 703 N LEU A 482 106.853 3.951 6.898 1.00 0.00 N ATOM 704 CA LEU A 482 106.904 5.031 5.922 1.00 0.00 C ATOM 705 C LEU A 482 105.502 5.485 5.540 1.00 0.00 C ATOM 706 O LEU A 482 105.095 6.604 5.854 1.00 0.00 O ATOM 707 CB LEU A 482 107.670 4.592 4.672 1.00 0.00 C ATOM 708 CG LEU A 482 108.435 5.711 3.963 1.00 0.00 C ATOM 709 CD1 LEU A 482 108.815 5.290 2.553 1.00 0.00 C ATOM 710 CD2 LEU A 482 107.605 6.987 3.935 1.00 0.00 C ATOM 0 H LEU A 482 106.970 3.017 6.504 1.00 0.00 H new ATOM 0 HA LEU A 482 107.428 5.871 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.375 3.809 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.965 4.150 3.968 1.00 0.00 H new ATOM 0 HG LEU A 482 109.352 5.907 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 482 109.358 6.100 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 482 109.447 4.403 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 482 107.912 5.065 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.164 7.773 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 482 106.672 6.803 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 482 107.384 7.300 4.956 1.00 0.00 H new ATOM 722 N TYR A 483 104.767 4.616 4.854 1.00 0.00 N ATOM 723 CA TYR A 483 103.413 4.947 4.423 1.00 0.00 C ATOM 724 C TYR A 483 102.485 3.743 4.523 1.00 0.00 C ATOM 725 O TYR A 483 102.867 2.625 4.186 1.00 0.00 O ATOM 726 CB TYR A 483 103.431 5.465 2.985 1.00 0.00 C ATOM 727 CG TYR A 483 102.070 5.873 2.469 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.059 4.933 2.302 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.794 7.197 2.152 1.00 0.00 C ATOM 730 CE1 TYR A 483 99.812 5.303 1.833 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.549 7.573 1.683 1.00 0.00 C ATOM 732 CZ TYR A 483 99.563 6.623 1.525 1.00 0.00 C ATOM 733 OH TYR A 483 98.323 6.996 1.059 1.00 0.00 O ATOM 0 H TYR A 483 105.083 3.684 4.586 1.00 0.00 H new ATOM 0 HA TYR A 483 103.034 5.724 5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 483 104.104 6.320 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.839 4.692 2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.251 3.898 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 483 102.564 7.944 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.037 4.561 1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 483 100.350 8.607 1.441 1.00 0.00 H new ATOM 0 HH TYR A 483 98.314 7.961 0.891 1.00 0.00 H new ATOM 743 N VAL A 484 101.259 3.980 4.980 1.00 0.00 N ATOM 744 CA VAL A 484 100.272 2.914 5.112 1.00 0.00 C ATOM 745 C VAL A 484 99.160 3.072 4.081 1.00 0.00 C ATOM 746 O VAL A 484 98.383 4.026 4.134 1.00 0.00 O ATOM 747 CB VAL A 484 99.648 2.890 6.520 1.00 0.00 C ATOM 748 CG1 VAL A 484 99.155 1.491 6.860 1.00 0.00 C ATOM 749 CG2 VAL A 484 100.645 3.379 7.557 1.00 0.00 C ATOM 0 H VAL A 484 100.926 4.901 5.265 1.00 0.00 H new ATOM 0 HA VAL A 484 100.798 1.974 4.943 1.00 0.00 H new ATOM 0 HB VAL A 484 98.792 3.565 6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 484 98.717 1.492 7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 484 98.402 1.184 6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 484 99.992 0.793 6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 484 100.184 3.354 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 484 101.523 2.734 7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 484 100.943 4.401 7.321 1.00 0.00 H new ATOM 759 N ASP A 485 99.089 2.133 3.145 1.00 0.00 N ATOM 760 CA ASP A 485 98.071 2.168 2.103 1.00 0.00 C ATOM 761 C ASP A 485 96.897 1.263 2.463 1.00 0.00 C ATOM 762 O ASP A 485 97.084 0.105 2.825 1.00 0.00 O ATOM 763 CB ASP A 485 98.668 1.734 0.763 1.00 0.00 C ATOM 764 CG ASP A 485 97.780 2.100 -0.409 1.00 0.00 C ATOM 765 OD1 ASP A 485 97.764 3.288 -0.794 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.100 1.199 -0.943 1.00 0.00 O ATOM 0 H ASP A 485 99.725 1.338 3.087 1.00 0.00 H new ATOM 0 HA ASP A 485 97.708 3.192 2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.645 2.200 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 485 98.828 0.656 0.772 1.00 0.00 H new ATOM 771 N LEU A 486 95.690 1.802 2.363 1.00 0.00 N ATOM 772 CA LEU A 486 94.486 1.041 2.678 1.00 0.00 C ATOM 773 C LEU A 486 93.455 1.184 1.565 1.00 0.00 C ATOM 774 O LEU A 486 93.080 2.299 1.201 1.00 0.00 O ATOM 775 CB LEU A 486 93.894 1.517 4.006 1.00 0.00 C ATOM 776 CG LEU A 486 92.498 0.983 4.326 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.538 0.082 5.549 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.527 2.134 4.545 1.00 0.00 C ATOM 0 H LEU A 486 95.517 2.763 2.067 1.00 0.00 H new ATOM 0 HA LEU A 486 94.756 -0.011 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.569 1.227 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.856 2.606 3.999 1.00 0.00 H new ATOM 0 HG LEU A 486 92.152 0.394 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.535 -0.288 5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 486 93.203 -0.760 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 486 92.905 0.647 6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.537 1.737 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.872 2.747 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.475 2.743 3.643 1.00 0.00 H new ATOM 790 N LEU A 487 92.991 0.059 1.027 1.00 0.00 N ATOM 791 CA LEU A 487 92.000 0.090 -0.041 1.00 0.00 C ATOM 792 C LEU A 487 90.712 0.748 0.444 1.00 0.00 C ATOM 793 O LEU A 487 89.791 0.067 0.895 1.00 0.00 O ATOM 794 CB LEU A 487 91.705 -1.325 -0.541 1.00 0.00 C ATOM 795 CG LEU A 487 92.604 -1.809 -1.680 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.800 -2.570 -1.129 1.00 0.00 C ATOM 797 CD2 LEU A 487 91.816 -2.680 -2.648 1.00 0.00 C ATOM 0 H LEU A 487 93.283 -0.876 1.311 1.00 0.00 H new ATOM 0 HA LEU A 487 92.407 0.676 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.800 -2.017 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.668 -1.368 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 487 92.972 -0.938 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.428 -2.907 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 487 94.378 -1.916 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 487 93.452 -3.433 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 487 92.471 -3.015 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 487 91.419 -3.546 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 487 90.992 -2.103 -3.068 1.00 0.00 H new ATOM 809 N GLU A 488 90.661 2.073 0.353 1.00 0.00 N ATOM 810 CA GLU A 488 89.489 2.827 0.786 1.00 0.00 C ATOM 811 C GLU A 488 88.207 2.044 0.527 1.00 0.00 C ATOM 812 O GLU A 488 87.934 1.636 -0.602 1.00 0.00 O ATOM 813 CB GLU A 488 89.430 4.175 0.065 1.00 0.00 C ATOM 814 CG GLU A 488 89.394 5.366 1.008 1.00 0.00 C ATOM 815 CD GLU A 488 90.764 5.980 1.222 1.00 0.00 C ATOM 816 OE1 GLU A 488 90.967 6.627 2.271 1.00 0.00 O ATOM 817 OE2 GLU A 488 91.634 5.814 0.341 1.00 0.00 O ATOM 0 H GLU A 488 91.418 2.648 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 488 89.576 2.998 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 488 90.297 4.266 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 488 88.546 4.199 -0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 488 88.719 6.122 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 488 88.986 5.052 1.969 1.00 0.00 H new ATOM 824 N GLY A 489 87.425 1.836 1.581 1.00 0.00 N ATOM 825 CA GLY A 489 86.181 1.102 1.448 1.00 0.00 C ATOM 826 C GLY A 489 86.397 -0.397 1.374 1.00 0.00 C ATOM 827 O GLY A 489 85.454 -1.155 1.144 1.00 0.00 O ATOM 0 H GLY A 489 87.631 2.163 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.535 1.331 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.660 1.436 0.551 1.00 0.00 H new ATOM 831 N ASP A 490 87.640 -0.826 1.567 1.00 0.00 N ATOM 832 CA ASP A 490 87.973 -2.244 1.518 1.00 0.00 C ATOM 833 C ASP A 490 88.579 -2.713 2.838 1.00 0.00 C ATOM 834 O ASP A 490 89.023 -1.905 3.654 1.00 0.00 O ATOM 835 CB ASP A 490 88.942 -2.523 0.367 1.00 0.00 C ATOM 836 CG ASP A 490 88.707 -3.878 -0.271 1.00 0.00 C ATOM 837 OD1 ASP A 490 87.866 -4.642 0.251 1.00 0.00 O ATOM 838 OD2 ASP A 490 89.363 -4.177 -1.290 1.00 0.00 O ATOM 0 H ASP A 490 88.432 -0.212 1.759 1.00 0.00 H new ATOM 0 HA ASP A 490 87.051 -2.800 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 490 88.837 -1.745 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.966 -2.471 0.737 1.00 0.00 H new ATOM 843 N THR A 491 88.583 -4.026 3.038 1.00 0.00 N ATOM 844 CA THR A 491 89.123 -4.618 4.257 1.00 0.00 C ATOM 845 C THR A 491 90.552 -5.115 4.053 1.00 0.00 C ATOM 846 O THR A 491 91.083 -5.858 4.877 1.00 0.00 O ATOM 847 CB THR A 491 88.249 -5.787 4.745 1.00 0.00 C ATOM 848 OG1 THR A 491 88.653 -7.026 4.151 1.00 0.00 O ATOM 849 CG2 THR A 491 86.788 -5.542 4.406 1.00 0.00 C ATOM 0 H THR A 491 88.217 -4.703 2.369 1.00 0.00 H new ATOM 0 HA THR A 491 89.125 -3.832 5.012 1.00 0.00 H new ATOM 0 HB THR A 491 88.375 -5.850 5.826 1.00 0.00 H new ATOM 0 HG1 THR A 491 88.081 -7.749 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.187 -6.380 4.759 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.451 -4.625 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.676 -5.445 3.326 1.00 0.00 H new ATOM 857 N GLU A 492 91.169 -4.700 2.952 1.00 0.00 N ATOM 858 CA GLU A 492 92.537 -5.102 2.643 1.00 0.00 C ATOM 859 C GLU A 492 93.458 -3.888 2.560 1.00 0.00 C ATOM 860 O GLU A 492 93.306 -3.037 1.681 1.00 0.00 O ATOM 861 CB GLU A 492 92.579 -5.879 1.325 1.00 0.00 C ATOM 862 CG GLU A 492 91.258 -6.541 0.963 1.00 0.00 C ATOM 863 CD GLU A 492 91.444 -7.920 0.363 1.00 0.00 C ATOM 864 OE1 GLU A 492 90.442 -8.656 0.243 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.593 -8.264 0.012 1.00 0.00 O ATOM 0 H GLU A 492 90.744 -4.085 2.258 1.00 0.00 H new ATOM 0 HA GLU A 492 92.888 -5.747 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 492 92.867 -5.200 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.353 -6.644 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 492 90.637 -6.618 1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 492 90.721 -5.910 0.255 1.00 0.00 H new ATOM 872 N CYS A 493 94.412 -3.809 3.483 1.00 0.00 N ATOM 873 CA CYS A 493 95.355 -2.697 3.516 1.00 0.00 C ATOM 874 C CYS A 493 96.796 -3.197 3.479 1.00 0.00 C ATOM 875 O CYS A 493 97.131 -4.204 4.102 1.00 0.00 O ATOM 876 CB CYS A 493 95.133 -1.851 4.771 1.00 0.00 C ATOM 877 SG CYS A 493 94.983 -2.814 6.294 1.00 0.00 S ATOM 0 H CYS A 493 94.552 -4.502 4.218 1.00 0.00 H new ATOM 0 HA CYS A 493 95.181 -2.083 2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 493 95.963 -1.152 4.876 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.229 -1.256 4.640 1.00 0.00 H new ATOM 0 HG CYS A 493 93.858 -3.466 6.286 1.00 0.00 H new ATOM 883 N HIS A 494 97.647 -2.477 2.756 1.00 0.00 N ATOM 884 CA HIS A 494 99.058 -2.831 2.643 1.00 0.00 C ATOM 885 C HIS A 494 99.937 -1.627 2.974 1.00 0.00 C ATOM 886 O HIS A 494 99.887 -0.607 2.287 1.00 0.00 O ATOM 887 CB HIS A 494 99.368 -3.335 1.233 1.00 0.00 C ATOM 888 CG HIS A 494 98.553 -4.526 0.835 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.176 -4.556 0.912 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.926 -5.735 0.355 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.738 -5.732 0.498 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.781 -6.465 0.153 1.00 0.00 N ATOM 0 H HIS A 494 97.382 -1.640 2.237 1.00 0.00 H new ATOM 0 HA HIS A 494 99.272 -3.627 3.356 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.192 -2.529 0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.426 -3.591 1.171 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.937 -6.065 0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.704 -6.041 0.450 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.742 -7.419 -0.206 1.00 0.00 H new ATOM 901 N ALA A 495 100.728 -1.743 4.036 1.00 0.00 N ATOM 902 CA ALA A 495 101.600 -0.652 4.457 1.00 0.00 C ATOM 903 C ALA A 495 103.041 -0.868 4.001 1.00 0.00 C ATOM 904 O ALA A 495 103.589 -1.964 4.129 1.00 0.00 O ATOM 905 CB ALA A 495 101.551 -0.479 5.967 1.00 0.00 C ATOM 0 H ALA A 495 100.783 -2.578 4.619 1.00 0.00 H new ATOM 0 HA ALA A 495 101.232 0.257 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.208 0.339 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.530 -0.253 6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.880 -1.399 6.450 1.00 0.00 H new ATOM 911 N ARG A 496 103.653 0.194 3.484 1.00 0.00 N ATOM 912 CA ARG A 496 105.034 0.144 3.021 1.00 0.00 C ATOM 913 C ARG A 496 105.986 0.543 4.146 1.00 0.00 C ATOM 914 O ARG A 496 105.792 1.570 4.803 1.00 0.00 O ATOM 915 CB ARG A 496 105.227 1.073 1.820 1.00 0.00 C ATOM 916 CG ARG A 496 103.944 1.349 1.053 1.00 0.00 C ATOM 917 CD ARG A 496 104.144 1.177 -0.445 1.00 0.00 C ATOM 918 NE ARG A 496 104.230 2.459 -1.137 1.00 0.00 N ATOM 919 CZ ARG A 496 103.218 3.317 -1.228 1.00 0.00 C ATOM 920 NH1 ARG A 496 102.052 3.035 -0.664 1.00 0.00 N ATOM 921 NH2 ARG A 496 103.375 4.461 -1.881 1.00 0.00 N ATOM 0 H ARG A 496 103.209 1.106 3.375 1.00 0.00 H new ATOM 0 HA ARG A 496 105.258 -0.878 2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.644 2.019 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.958 0.631 1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.161 0.674 1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.605 2.364 1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.055 0.606 -0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.318 0.598 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 496 105.116 2.711 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 496 101.929 2.158 -0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 496 101.278 3.695 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 496 104.272 4.683 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 496 102.599 5.119 -1.951 1.00 0.00 H new ATOM 935 N PHE A 497 107.014 -0.274 4.362 1.00 0.00 N ATOM 936 CA PHE A 497 107.997 -0.013 5.408 1.00 0.00 C ATOM 937 C PHE A 497 109.339 0.403 4.817 1.00 0.00 C ATOM 938 O PHE A 497 109.699 -0.009 3.714 1.00 0.00 O ATOM 939 CB PHE A 497 108.188 -1.257 6.276 1.00 0.00 C ATOM 940 CG PHE A 497 106.986 -1.606 7.103 1.00 0.00 C ATOM 941 CD1 PHE A 497 105.748 -1.781 6.510 1.00 0.00 C ATOM 942 CD2 PHE A 497 107.098 -1.759 8.475 1.00 0.00 C ATOM 943 CE1 PHE A 497 104.641 -2.103 7.271 1.00 0.00 C ATOM 944 CE2 PHE A 497 105.995 -2.081 9.241 1.00 0.00 C ATOM 945 CZ PHE A 497 104.764 -2.253 8.639 1.00 0.00 C ATOM 0 H PHE A 497 107.187 -1.124 3.825 1.00 0.00 H new ATOM 0 HA PHE A 497 107.619 0.807 6.019 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.434 -2.103 5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 497 109.040 -1.100 6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 497 105.646 -1.665 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 497 108.058 -1.625 8.951 1.00 0.00 H new ATOM 0 HE1 PHE A 497 103.680 -2.237 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 497 106.095 -2.198 10.310 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.900 -2.504 9.236 1.00 0.00 H new ATOM 955 N LYS A 498 110.078 1.220 5.562 1.00 0.00 N ATOM 956 CA LYS A 498 111.384 1.687 5.114 1.00 0.00 C ATOM 957 C LYS A 498 112.439 0.602 5.303 1.00 0.00 C ATOM 958 O LYS A 498 113.501 0.641 4.683 1.00 0.00 O ATOM 959 CB LYS A 498 111.791 2.946 5.882 1.00 0.00 C ATOM 960 CG LYS A 498 113.081 3.571 5.379 1.00 0.00 C ATOM 961 CD LYS A 498 113.865 4.217 6.510 1.00 0.00 C ATOM 962 CE LYS A 498 114.231 5.655 6.185 1.00 0.00 C ATOM 963 NZ LYS A 498 115.216 6.210 7.153 1.00 0.00 N ATOM 0 H LYS A 498 109.795 1.571 6.477 1.00 0.00 H new ATOM 0 HA LYS A 498 111.314 1.925 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 498 110.989 3.681 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 498 111.904 2.698 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 498 113.694 2.807 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 498 112.852 4.319 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 498 113.274 4.189 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 498 114.773 3.643 6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 498 114.644 5.706 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 498 113.330 6.269 6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 115.439 7.193 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 114.813 6.186 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 116.085 5.640 7.129 1.00 0.00 H new ATOM 977 N THR A 499 112.138 -0.369 6.161 1.00 0.00 N ATOM 978 CA THR A 499 113.059 -1.468 6.427 1.00 0.00 C ATOM 979 C THR A 499 112.317 -2.792 6.549 1.00 0.00 C ATOM 980 O THR A 499 111.162 -2.836 6.975 1.00 0.00 O ATOM 981 CB THR A 499 113.866 -1.233 7.715 1.00 0.00 C ATOM 982 OG1 THR A 499 113.144 -0.417 8.646 1.00 0.00 O ATOM 983 CG2 THR A 499 115.193 -0.556 7.408 1.00 0.00 C ATOM 0 H THR A 499 111.263 -0.416 6.684 1.00 0.00 H new ATOM 0 HA THR A 499 113.744 -1.510 5.580 1.00 0.00 H new ATOM 0 HB THR A 499 114.043 -2.213 8.158 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.683 -0.288 9.454 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.745 -0.401 8.335 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.777 -1.188 6.739 1.00 0.00 H new ATOM 0 HG23 THR A 499 115.009 0.406 6.930 1.00 0.00 H new ATOM 991 N PRO A 500 112.977 -3.893 6.171 1.00 0.00 N ATOM 992 CA PRO A 500 112.389 -5.234 6.230 1.00 0.00 C ATOM 993 C PRO A 500 112.313 -5.778 7.652 1.00 0.00 C ATOM 994 O PRO A 500 111.345 -6.443 8.023 1.00 0.00 O ATOM 995 CB PRO A 500 113.354 -6.069 5.391 1.00 0.00 C ATOM 996 CG PRO A 500 114.666 -5.383 5.541 1.00 0.00 C ATOM 997 CD PRO A 500 114.356 -3.915 5.650 1.00 0.00 C ATOM 0 HA PRO A 500 111.360 -5.246 5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.401 -7.098 5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.043 -6.106 4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.193 -5.737 6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.311 -5.583 4.685 1.00 0.00 H new ATOM 0 HD2 PRO A 500 115.047 -3.407 6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.428 -3.417 4.683 1.00 0.00 H new ATOM 1005 N GLU A 501 113.341 -5.496 8.443 1.00 0.00 N ATOM 1006 CA GLU A 501 113.392 -5.961 9.823 1.00 0.00 C ATOM 1007 C GLU A 501 112.212 -5.426 10.628 1.00 0.00 C ATOM 1008 O GLU A 501 111.668 -6.121 11.486 1.00 0.00 O ATOM 1009 CB GLU A 501 114.707 -5.536 10.478 1.00 0.00 C ATOM 1010 CG GLU A 501 114.882 -4.030 10.571 1.00 0.00 C ATOM 1011 CD GLU A 501 116.305 -3.592 10.291 1.00 0.00 C ATOM 1012 OE1 GLU A 501 117.235 -4.364 10.606 1.00 0.00 O ATOM 1013 OE2 GLU A 501 116.490 -2.478 9.757 1.00 0.00 O ATOM 0 H GLU A 501 114.150 -4.948 8.152 1.00 0.00 H new ATOM 0 HA GLU A 501 113.333 -7.049 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.758 -5.962 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.538 -5.955 9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 501 114.210 -3.545 9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 501 114.591 -3.695 11.567 1.00 0.00 H new ATOM 1020 N ASP A 502 111.823 -4.185 10.353 1.00 0.00 N ATOM 1021 CA ASP A 502 110.710 -3.559 11.059 1.00 0.00 C ATOM 1022 C ASP A 502 109.409 -4.328 10.835 1.00 0.00 C ATOM 1023 O ASP A 502 108.616 -4.501 11.759 1.00 0.00 O ATOM 1024 CB ASP A 502 110.543 -2.107 10.606 1.00 0.00 C ATOM 1025 CG ASP A 502 111.448 -1.155 11.365 1.00 0.00 C ATOM 1026 OD1 ASP A 502 111.539 0.025 10.967 1.00 0.00 O ATOM 1027 OD2 ASP A 502 112.066 -1.591 12.359 1.00 0.00 O ATOM 0 H ASP A 502 112.261 -3.593 9.647 1.00 0.00 H new ATOM 0 HA ASP A 502 110.938 -3.578 12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 502 110.758 -2.035 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.505 -1.804 10.743 1.00 0.00 H new ATOM 1032 N ALA A 503 109.196 -4.785 9.605 1.00 0.00 N ATOM 1033 CA ALA A 503 107.988 -5.532 9.266 1.00 0.00 C ATOM 1034 C ALA A 503 107.955 -6.886 9.967 1.00 0.00 C ATOM 1035 O ALA A 503 106.917 -7.306 10.478 1.00 0.00 O ATOM 1036 CB ALA A 503 107.868 -5.722 7.761 1.00 0.00 C ATOM 0 H ALA A 503 109.842 -4.652 8.827 1.00 0.00 H new ATOM 0 HA ALA A 503 107.138 -4.946 9.614 1.00 0.00 H new ATOM 0 HB1 ALA A 503 106.960 -6.281 7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.824 -4.748 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.734 -6.273 7.394 1.00 0.00 H new ATOM 1042 N GLN A 504 109.094 -7.570 9.984 1.00 0.00 N ATOM 1043 CA GLN A 504 109.186 -8.880 10.620 1.00 0.00 C ATOM 1044 C GLN A 504 108.899 -8.785 12.115 1.00 0.00 C ATOM 1045 O GLN A 504 108.180 -9.612 12.676 1.00 0.00 O ATOM 1046 CB GLN A 504 110.575 -9.483 10.389 1.00 0.00 C ATOM 1047 CG GLN A 504 110.668 -10.959 10.738 1.00 0.00 C ATOM 1048 CD GLN A 504 111.364 -11.200 12.065 1.00 0.00 C ATOM 1049 OE1 GLN A 504 110.816 -10.910 13.128 1.00 0.00 O ATOM 1050 NE2 GLN A 504 112.579 -11.734 12.007 1.00 0.00 N ATOM 0 H GLN A 504 109.964 -7.241 9.566 1.00 0.00 H new ATOM 0 HA GLN A 504 108.435 -9.529 10.169 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.850 -9.348 9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.304 -8.932 10.984 1.00 0.00 H new ATOM 0 HG2 GLN A 504 109.665 -11.384 10.775 1.00 0.00 H new ATOM 0 HG3 GLN A 504 111.207 -11.482 9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 504 112.995 -11.959 11.103 1.00 0.00 H new ATOM 0 HE22 GLN A 504 113.096 -11.919 12.866 1.00 0.00 H new ATOM 1059 N ALA A 505 109.474 -7.776 12.758 1.00 0.00 N ATOM 1060 CA ALA A 505 109.288 -7.576 14.190 1.00 0.00 C ATOM 1061 C ALA A 505 107.847 -7.202 14.533 1.00 0.00 C ATOM 1062 O ALA A 505 107.303 -7.663 15.536 1.00 0.00 O ATOM 1063 CB ALA A 505 110.242 -6.512 14.712 1.00 0.00 C ATOM 0 H ALA A 505 110.074 -7.083 12.310 1.00 0.00 H new ATOM 0 HA ALA A 505 109.510 -8.525 14.678 1.00 0.00 H new ATOM 0 HB1 ALA A 505 110.087 -6.378 15.783 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.270 -6.825 14.531 1.00 0.00 H new ATOM 0 HB3 ALA A 505 110.053 -5.570 14.197 1.00 0.00 H new ATOM 1069 N VAL A 506 107.237 -6.349 13.710 1.00 0.00 N ATOM 1070 CA VAL A 506 105.866 -5.903 13.952 1.00 0.00 C ATOM 1071 C VAL A 506 104.852 -7.030 13.773 1.00 0.00 C ATOM 1072 O VAL A 506 103.924 -7.172 14.572 1.00 0.00 O ATOM 1073 CB VAL A 506 105.486 -4.736 13.023 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.688 -5.122 11.566 1.00 0.00 C ATOM 1075 CG2 VAL A 506 104.051 -4.297 13.272 1.00 0.00 C ATOM 0 H VAL A 506 107.668 -5.955 12.874 1.00 0.00 H new ATOM 0 HA VAL A 506 105.835 -5.569 14.989 1.00 0.00 H new ATOM 0 HB VAL A 506 106.142 -3.894 13.245 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.414 -4.283 10.926 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.734 -5.379 11.399 1.00 0.00 H new ATOM 0 HG13 VAL A 506 105.061 -5.981 11.327 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.802 -3.471 12.605 1.00 0.00 H new ATOM 0 HG22 VAL A 506 103.377 -5.132 13.082 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.944 -3.972 14.307 1.00 0.00 H new ATOM 1085 N ILE A 507 105.023 -7.830 12.726 1.00 0.00 N ATOM 1086 CA ILE A 507 104.109 -8.937 12.461 1.00 0.00 C ATOM 1087 C ILE A 507 104.199 -9.993 13.554 1.00 0.00 C ATOM 1088 O ILE A 507 103.206 -10.634 13.898 1.00 0.00 O ATOM 1089 CB ILE A 507 104.386 -9.603 11.102 1.00 0.00 C ATOM 1090 CG1 ILE A 507 105.862 -9.977 10.972 1.00 0.00 C ATOM 1091 CG2 ILE A 507 103.963 -8.686 9.964 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.165 -11.394 11.406 1.00 0.00 C ATOM 0 H ILE A 507 105.781 -7.734 12.050 1.00 0.00 H new ATOM 0 HA ILE A 507 103.106 -8.510 12.442 1.00 0.00 H new ATOM 0 HB ILE A 507 103.798 -10.519 11.044 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.171 -9.849 9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.458 -9.287 11.570 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.166 -9.173 9.010 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.897 -8.475 10.044 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.523 -7.753 10.022 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.230 -11.591 11.287 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.887 -11.521 12.452 1.00 0.00 H new ATOM 0 HD13 ILE A 507 105.596 -12.092 10.792 1.00 0.00 H new ATOM 1104 N ASN A 508 105.391 -10.151 14.111 1.00 0.00 N ATOM 1105 CA ASN A 508 105.606 -11.112 15.184 1.00 0.00 C ATOM 1106 C ASN A 508 104.918 -10.632 16.457 1.00 0.00 C ATOM 1107 O ASN A 508 104.320 -11.415 17.195 1.00 0.00 O ATOM 1108 CB ASN A 508 107.101 -11.305 15.439 1.00 0.00 C ATOM 1109 CG ASN A 508 107.726 -12.309 14.490 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.402 -13.496 14.523 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.625 -11.835 13.637 1.00 0.00 N ATOM 0 H ASN A 508 106.223 -9.627 13.839 1.00 0.00 H new ATOM 0 HA ASN A 508 105.179 -12.069 14.885 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.611 -10.347 15.337 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.251 -11.638 16.466 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.078 -12.462 12.973 1.00 0.00 H new ATOM 0 HD22 ASN A 508 108.863 -10.843 13.645 1.00 0.00 H new ATOM 1118 N ALA A 509 105.015 -9.330 16.697 1.00 0.00 N ATOM 1119 CA ALA A 509 104.414 -8.706 17.872 1.00 0.00 C ATOM 1120 C ALA A 509 102.906 -8.544 17.717 1.00 0.00 C ATOM 1121 O ALA A 509 102.178 -8.451 18.707 1.00 0.00 O ATOM 1122 CB ALA A 509 105.054 -7.355 18.151 1.00 0.00 C ATOM 0 H ALA A 509 105.509 -8.679 16.087 1.00 0.00 H new ATOM 0 HA ALA A 509 104.597 -9.369 18.717 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.591 -6.908 19.031 1.00 0.00 H new ATOM 0 HB2 ALA A 509 106.121 -7.488 18.330 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.909 -6.700 17.292 1.00 0.00 H new ATOM 1128 N TYR A 510 102.445 -8.479 16.473 1.00 0.00 N ATOM 1129 CA TYR A 510 101.025 -8.292 16.190 1.00 0.00 C ATOM 1130 C TYR A 510 100.168 -9.436 16.718 1.00 0.00 C ATOM 1131 O TYR A 510 98.940 -9.353 16.692 1.00 0.00 O ATOM 1132 CB TYR A 510 100.794 -8.136 14.692 1.00 0.00 C ATOM 1133 CG TYR A 510 100.287 -6.767 14.307 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.345 -6.610 13.300 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.754 -5.632 14.955 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.879 -5.356 12.949 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.294 -4.375 14.611 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.358 -4.242 13.608 1.00 0.00 C ATOM 1139 OH TYR A 510 98.897 -2.992 13.262 1.00 0.00 O ATOM 0 H TYR A 510 103.034 -8.553 15.643 1.00 0.00 H new ATOM 0 HA TYR A 510 100.722 -7.382 16.709 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.728 -8.332 14.165 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.077 -8.888 14.361 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.970 -7.481 12.782 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.488 -5.733 15.740 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.145 -5.249 12.164 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.666 -3.501 15.125 1.00 0.00 H new ATOM 0 HH TYR A 510 98.076 -3.081 12.734 1.00 0.00 H new ATOM 1149 N THR A 511 100.797 -10.496 17.210 1.00 0.00 N ATOM 1150 CA THR A 511 100.042 -11.618 17.745 1.00 0.00 C ATOM 1151 C THR A 511 99.000 -11.109 18.731 1.00 0.00 C ATOM 1152 O THR A 511 97.889 -11.632 18.814 1.00 0.00 O ATOM 1153 CB THR A 511 100.959 -12.633 18.454 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.745 -12.005 19.475 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.901 -13.298 17.463 1.00 0.00 C ATOM 0 H THR A 511 101.811 -10.601 17.249 1.00 0.00 H new ATOM 0 HA THR A 511 99.557 -12.123 16.910 1.00 0.00 H new ATOM 0 HB THR A 511 100.309 -13.381 18.908 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.315 -12.675 19.907 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.538 -14.010 17.988 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.320 -13.822 16.704 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.521 -12.540 16.986 1.00 0.00 H new ATOM 1163 N GLU A 512 99.387 -10.088 19.486 1.00 0.00 N ATOM 1164 CA GLU A 512 98.515 -9.489 20.490 1.00 0.00 C ATOM 1165 C GLU A 512 97.173 -9.072 19.895 1.00 0.00 C ATOM 1166 O GLU A 512 96.127 -9.260 20.516 1.00 0.00 O ATOM 1167 CB GLU A 512 99.199 -8.277 21.124 1.00 0.00 C ATOM 1168 CG GLU A 512 100.426 -8.636 21.947 1.00 0.00 C ATOM 1169 CD GLU A 512 101.092 -7.420 22.560 1.00 0.00 C ATOM 1170 OE1 GLU A 512 100.785 -6.291 22.122 1.00 0.00 O ATOM 1171 OE2 GLU A 512 101.921 -7.597 23.477 1.00 0.00 O ATOM 0 H GLU A 512 100.308 -9.654 19.421 1.00 0.00 H new ATOM 0 HA GLU A 512 98.324 -10.243 21.254 1.00 0.00 H new ATOM 0 HB2 GLU A 512 99.490 -7.581 20.337 1.00 0.00 H new ATOM 0 HB3 GLU A 512 98.483 -7.757 21.761 1.00 0.00 H new ATOM 0 HG2 GLU A 512 100.138 -9.326 22.740 1.00 0.00 H new ATOM 0 HG3 GLU A 512 101.143 -9.158 21.314 1.00 0.00 H new ATOM 1178 N ILE A 513 97.206 -8.498 18.697 1.00 0.00 N ATOM 1179 CA ILE A 513 95.985 -8.051 18.034 1.00 0.00 C ATOM 1180 C ILE A 513 94.857 -9.060 18.222 1.00 0.00 C ATOM 1181 O ILE A 513 93.727 -8.687 18.541 1.00 0.00 O ATOM 1182 CB ILE A 513 96.217 -7.820 16.527 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.238 -6.700 16.314 1.00 0.00 C ATOM 1184 CG2 ILE A 513 94.905 -7.487 15.827 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.040 -5.520 17.241 1.00 0.00 C ATOM 0 H ILE A 513 98.061 -8.332 18.166 1.00 0.00 H new ATOM 0 HA ILE A 513 95.699 -7.106 18.496 1.00 0.00 H new ATOM 0 HB ILE A 513 96.612 -8.738 16.093 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.241 -7.101 16.458 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.178 -6.355 15.282 1.00 0.00 H new ATOM 0 HG21 ILE A 513 95.090 -7.327 14.765 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.205 -8.313 15.954 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.480 -6.582 16.261 1.00 0.00 H new ATOM 0 HD11 ILE A 513 97.798 -4.764 17.035 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.050 -5.094 17.081 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.130 -5.851 18.276 1.00 0.00 H new ATOM 1197 N ASN A 514 95.167 -10.336 18.018 1.00 0.00 N ATOM 1198 CA ASN A 514 94.176 -11.398 18.161 1.00 0.00 C ATOM 1199 C ASN A 514 93.411 -11.276 19.477 1.00 0.00 C ATOM 1200 O ASN A 514 92.236 -11.636 19.557 1.00 0.00 O ATOM 1201 CB ASN A 514 94.854 -12.767 18.079 1.00 0.00 C ATOM 1202 CG ASN A 514 93.871 -13.910 18.234 1.00 0.00 C ATOM 1203 OD1 ASN A 514 94.118 -14.860 18.978 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.748 -13.825 17.532 1.00 0.00 N ATOM 0 H ASN A 514 96.097 -10.661 17.753 1.00 0.00 H new ATOM 0 HA ASN A 514 93.461 -11.298 17.344 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.366 -12.859 17.121 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.616 -12.839 18.855 1.00 0.00 H new ATOM 0 HD21 ASN A 514 92.049 -14.565 17.597 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.584 -13.020 16.928 1.00 0.00 H new ATOM 1211 N LYS A 515 94.083 -10.776 20.510 1.00 0.00 N ATOM 1212 CA LYS A 515 93.460 -10.618 21.821 1.00 0.00 C ATOM 1213 C LYS A 515 92.113 -9.910 21.705 1.00 0.00 C ATOM 1214 O LYS A 515 91.242 -10.066 22.561 1.00 0.00 O ATOM 1215 CB LYS A 515 94.391 -9.846 22.764 1.00 0.00 C ATOM 1216 CG LYS A 515 94.146 -8.342 22.792 1.00 0.00 C ATOM 1217 CD LYS A 515 93.484 -7.911 24.091 1.00 0.00 C ATOM 1218 CE LYS A 515 92.033 -7.509 23.876 1.00 0.00 C ATOM 1219 NZ LYS A 515 91.189 -7.809 25.068 1.00 0.00 N ATOM 0 H LYS A 515 95.056 -10.474 20.465 1.00 0.00 H new ATOM 0 HA LYS A 515 93.285 -11.611 22.236 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.275 -10.240 23.774 1.00 0.00 H new ATOM 0 HB3 LYS A 515 95.424 -10.029 22.467 1.00 0.00 H new ATOM 0 HG2 LYS A 515 95.093 -7.815 22.672 1.00 0.00 H new ATOM 0 HG3 LYS A 515 93.515 -8.059 21.949 1.00 0.00 H new ATOM 0 HD2 LYS A 515 93.533 -8.727 24.812 1.00 0.00 H new ATOM 0 HD3 LYS A 515 94.034 -7.073 24.519 1.00 0.00 H new ATOM 0 HE2 LYS A 515 91.981 -6.443 23.654 1.00 0.00 H new ATOM 0 HE3 LYS A 515 91.635 -8.035 23.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 90.208 -7.520 24.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 91.218 -8.830 25.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 91.552 -7.287 25.891 1.00 0.00 H new ATOM 1233 N LYS A 516 91.951 -9.132 20.641 1.00 0.00 N ATOM 1234 CA LYS A 516 90.712 -8.398 20.412 1.00 0.00 C ATOM 1235 C LYS A 516 90.101 -8.772 19.065 1.00 0.00 C ATOM 1236 O LYS A 516 88.883 -8.891 18.937 1.00 0.00 O ATOM 1237 CB LYS A 516 90.968 -6.890 20.473 1.00 0.00 C ATOM 1238 CG LYS A 516 89.771 -6.087 20.954 1.00 0.00 C ATOM 1239 CD LYS A 516 89.217 -6.636 22.259 1.00 0.00 C ATOM 1240 CE LYS A 516 87.934 -7.419 22.036 1.00 0.00 C ATOM 1241 NZ LYS A 516 87.429 -8.030 23.297 1.00 0.00 N ATOM 0 H LYS A 516 92.662 -8.993 19.923 1.00 0.00 H new ATOM 0 HA LYS A 516 90.006 -8.669 21.197 1.00 0.00 H new ATOM 0 HB2 LYS A 516 91.812 -6.700 21.136 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.256 -6.539 19.482 1.00 0.00 H new ATOM 0 HG2 LYS A 516 90.062 -5.046 21.091 1.00 0.00 H new ATOM 0 HG3 LYS A 516 88.992 -6.103 20.192 1.00 0.00 H new ATOM 0 HD2 LYS A 516 89.960 -7.280 22.728 1.00 0.00 H new ATOM 0 HD3 LYS A 516 89.027 -5.814 22.949 1.00 0.00 H new ATOM 0 HE2 LYS A 516 87.172 -6.758 21.623 1.00 0.00 H new ATOM 0 HE3 LYS A 516 88.110 -8.202 21.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 86.553 -8.555 23.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 88.145 -8.681 23.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 87.236 -7.281 23.993 1.00 0.00 H new ATOM 1255 N HIS A 517 90.957 -8.962 18.067 1.00 0.00 N ATOM 1256 CA HIS A 517 90.506 -9.331 16.730 1.00 0.00 C ATOM 1257 C HIS A 517 91.591 -10.101 15.986 1.00 0.00 C ATOM 1258 O HIS A 517 92.755 -9.703 15.982 1.00 0.00 O ATOM 1259 CB HIS A 517 90.112 -8.085 15.931 1.00 0.00 C ATOM 1260 CG HIS A 517 89.646 -6.943 16.779 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.316 -6.708 17.060 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.339 -5.961 17.404 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.212 -5.630 17.819 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.425 -5.160 18.042 1.00 0.00 N ATOM 0 H HIS A 517 91.968 -8.866 18.159 1.00 0.00 H new ATOM 0 HA HIS A 517 89.632 -9.973 16.836 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.967 -7.760 15.339 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.321 -8.350 15.230 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.411 -5.832 17.401 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.291 -5.206 18.193 1.00 0.00 H new ATOM 0 HE2 HIS A 517 89.647 -4.335 18.599 1.00 0.00 H new ATOM 1273 N CYS A 518 91.201 -11.204 15.358 1.00 0.00 N ATOM 1274 CA CYS A 518 92.143 -12.029 14.609 1.00 0.00 C ATOM 1275 C CYS A 518 92.589 -11.322 13.333 1.00 0.00 C ATOM 1276 O CYS A 518 91.854 -11.279 12.346 1.00 0.00 O ATOM 1277 CB CYS A 518 91.508 -13.378 14.267 1.00 0.00 C ATOM 1278 SG CYS A 518 90.110 -13.267 13.127 1.00 0.00 S ATOM 0 H CYS A 518 90.241 -11.548 15.352 1.00 0.00 H new ATOM 0 HA CYS A 518 93.021 -12.197 15.233 1.00 0.00 H new ATOM 0 HB2 CYS A 518 92.269 -14.025 13.830 1.00 0.00 H new ATOM 0 HB3 CYS A 518 91.175 -13.855 15.189 1.00 0.00 H new ATOM 0 HG CYS A 518 90.325 -12.316 12.268 1.00 0.00 H new ATOM 1284 N TRP A 519 93.797 -10.767 13.360 1.00 0.00 N ATOM 1285 CA TRP A 519 94.339 -10.058 12.206 1.00 0.00 C ATOM 1286 C TRP A 519 95.399 -10.884 11.497 1.00 0.00 C ATOM 1287 O TRP A 519 96.119 -11.667 12.118 1.00 0.00 O ATOM 1288 CB TRP A 519 94.928 -8.716 12.631 1.00 0.00 C ATOM 1289 CG TRP A 519 94.592 -7.607 11.686 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.876 -7.711 10.530 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.957 -6.231 11.813 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.770 -6.484 9.930 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.426 -5.554 10.698 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.681 -5.502 12.761 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.596 -4.184 10.509 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.848 -4.143 12.572 1.00 0.00 C ATOM 1297 CH2 TRP A 519 95.306 -3.497 11.454 1.00 0.00 C ATOM 0 H TRP A 519 94.419 -10.795 14.168 1.00 0.00 H new ATOM 0 HA TRP A 519 93.518 -9.885 11.511 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.561 -8.463 13.626 1.00 0.00 H new ATOM 0 HB3 TRP A 519 96.012 -8.808 12.705 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.454 -8.627 10.144 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.283 -6.292 9.055 1.00 0.00 H new ATOM 0 HE3 TRP A 519 96.103 -5.992 13.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 94.182 -3.683 9.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 96.405 -3.570 13.298 1.00 0.00 H new ATOM 0 HH2 TRP A 519 95.452 -2.433 11.336 1.00 0.00 H new ATOM 1308 N LYS A 520 95.483 -10.701 10.188 1.00 0.00 N ATOM 1309 CA LYS A 520 96.444 -11.421 9.371 1.00 0.00 C ATOM 1310 C LYS A 520 97.551 -10.495 8.884 1.00 0.00 C ATOM 1311 O LYS A 520 97.286 -9.478 8.242 1.00 0.00 O ATOM 1312 CB LYS A 520 95.736 -12.042 8.173 1.00 0.00 C ATOM 1313 CG LYS A 520 94.326 -12.520 8.475 1.00 0.00 C ATOM 1314 CD LYS A 520 94.333 -13.738 9.382 1.00 0.00 C ATOM 1315 CE LYS A 520 93.136 -13.743 10.318 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.217 -14.879 10.033 1.00 0.00 N ATOM 0 H LYS A 520 94.891 -10.054 9.667 1.00 0.00 H new ATOM 0 HA LYS A 520 96.893 -12.204 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.697 -11.310 7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.325 -12.884 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.762 -11.716 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.815 -12.762 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.326 -14.644 8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.253 -13.752 9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 520 93.482 -13.805 11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.593 -12.803 10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.413 -14.849 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 91.867 -14.806 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 92.728 -15.777 10.152 1.00 0.00 H new ATOM 1330 N LEU A 521 98.793 -10.856 9.181 1.00 0.00 N ATOM 1331 CA LEU A 521 99.936 -10.060 8.758 1.00 0.00 C ATOM 1332 C LEU A 521 100.917 -10.916 7.967 1.00 0.00 C ATOM 1333 O LEU A 521 101.397 -11.939 8.456 1.00 0.00 O ATOM 1334 CB LEU A 521 100.636 -9.435 9.967 1.00 0.00 C ATOM 1335 CG LEU A 521 99.704 -8.857 11.033 1.00 0.00 C ATOM 1336 CD1 LEU A 521 98.763 -7.831 10.422 1.00 0.00 C ATOM 1337 CD2 LEU A 521 98.917 -9.967 11.712 1.00 0.00 C ATOM 0 H LEU A 521 99.033 -11.693 9.712 1.00 0.00 H new ATOM 0 HA LEU A 521 99.574 -9.258 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 521 101.268 -10.192 10.432 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.295 -8.642 9.615 1.00 0.00 H new ATOM 0 HG LEU A 521 100.313 -8.357 11.786 1.00 0.00 H new ATOM 0 HD11 LEU A 521 98.108 -7.431 11.196 1.00 0.00 H new ATOM 0 HD12 LEU A 521 99.344 -7.020 9.984 1.00 0.00 H new ATOM 0 HD13 LEU A 521 98.161 -8.305 9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 521 98.259 -9.537 12.467 1.00 0.00 H new ATOM 0 HD22 LEU A 521 98.320 -10.496 10.969 1.00 0.00 H new ATOM 0 HD23 LEU A 521 99.607 -10.665 12.187 1.00 0.00 H new ATOM 1349 N GLU A 522 101.208 -10.498 6.740 1.00 0.00 N ATOM 1350 CA GLU A 522 102.125 -11.235 5.882 1.00 0.00 C ATOM 1351 C GLU A 522 103.030 -10.288 5.101 1.00 0.00 C ATOM 1352 O GLU A 522 102.578 -9.267 4.585 1.00 0.00 O ATOM 1353 CB GLU A 522 101.345 -12.121 4.911 1.00 0.00 C ATOM 1354 CG GLU A 522 102.188 -13.209 4.268 1.00 0.00 C ATOM 1355 CD GLU A 522 103.124 -12.670 3.204 1.00 0.00 C ATOM 1356 OE1 GLU A 522 102.717 -11.747 2.468 1.00 0.00 O ATOM 1357 OE2 GLU A 522 104.263 -13.173 3.106 1.00 0.00 O ATOM 0 H GLU A 522 100.822 -9.653 6.319 1.00 0.00 H new ATOM 0 HA GLU A 522 102.750 -11.861 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.514 -12.584 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.915 -11.496 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 522 102.772 -13.714 5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 522 101.531 -13.957 3.824 1.00 0.00 H new ATOM 1364 N ILE A 523 104.308 -10.639 5.017 1.00 0.00 N ATOM 1365 CA ILE A 523 105.279 -9.829 4.296 1.00 0.00 C ATOM 1366 C ILE A 523 105.428 -10.311 2.858 1.00 0.00 C ATOM 1367 O ILE A 523 105.812 -11.455 2.612 1.00 0.00 O ATOM 1368 CB ILE A 523 106.655 -9.862 4.988 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.597 -9.109 6.317 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.723 -9.269 4.080 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.662 -9.540 7.302 1.00 0.00 C ATOM 0 H ILE A 523 104.695 -11.482 5.441 1.00 0.00 H new ATOM 0 HA ILE A 523 104.908 -8.804 4.295 1.00 0.00 H new ATOM 0 HB ILE A 523 106.919 -10.900 5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.701 -8.041 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.615 -9.258 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.688 -9.300 4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.777 -9.846 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.469 -8.235 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.561 -8.964 8.222 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.545 -10.601 7.523 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.648 -9.366 6.871 1.00 0.00 H new ATOM 1383 N LEU A 524 105.118 -9.434 1.912 1.00 0.00 N ATOM 1384 CA LEU A 524 105.213 -9.768 0.497 1.00 0.00 C ATOM 1385 C LEU A 524 106.655 -10.068 0.098 1.00 0.00 C ATOM 1386 O LEU A 524 107.588 -9.407 0.555 1.00 0.00 O ATOM 1387 CB LEU A 524 104.659 -8.625 -0.349 1.00 0.00 C ATOM 1388 CG LEU A 524 103.176 -8.746 -0.702 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.950 -9.913 -1.650 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.343 -8.915 0.560 1.00 0.00 C ATOM 0 H LEU A 524 104.798 -8.484 2.100 1.00 0.00 H new ATOM 0 HA LEU A 524 104.620 -10.665 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.815 -7.688 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.234 -8.564 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 524 102.862 -7.830 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.890 -9.986 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.521 -9.754 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 524 103.278 -10.837 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.290 -9.000 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.657 -9.817 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.484 -8.050 1.208 1.00 0.00 H new ATOM 1402 N SER A 525 106.830 -11.081 -0.745 1.00 0.00 N ATOM 1403 CA SER A 525 108.157 -11.486 -1.196 1.00 0.00 C ATOM 1404 C SER A 525 108.114 -12.048 -2.613 1.00 0.00 C ATOM 1405 O SER A 525 107.056 -12.428 -3.112 1.00 0.00 O ATOM 1406 CB SER A 525 108.757 -12.518 -0.240 1.00 0.00 C ATOM 1407 OG SER A 525 110.150 -12.664 -0.454 1.00 0.00 O ATOM 0 H SER A 525 106.067 -11.638 -1.130 1.00 0.00 H new ATOM 0 HA SER A 525 108.789 -10.598 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 525 108.574 -12.213 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.262 -13.479 -0.380 1.00 0.00 H new ATOM 0 HG SER A 525 110.509 -13.328 0.171 1.00 0.00 H new ATOM 1413 N GLY A 526 109.280 -12.106 -3.247 1.00 0.00 N ATOM 1414 CA GLY A 526 109.370 -12.635 -4.594 1.00 0.00 C ATOM 1415 C GLY A 526 108.423 -11.956 -5.562 1.00 0.00 C ATOM 1416 O GLY A 526 108.126 -10.768 -5.426 1.00 0.00 O ATOM 0 H GLY A 526 110.167 -11.795 -2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.392 -12.522 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.155 -13.703 -4.574 1.00 0.00 H new ATOM 1420 N ASP A 527 107.955 -12.714 -6.549 1.00 0.00 N ATOM 1421 CA ASP A 527 107.044 -12.185 -7.556 1.00 0.00 C ATOM 1422 C ASP A 527 105.823 -11.535 -6.913 1.00 0.00 C ATOM 1423 O ASP A 527 105.251 -10.595 -7.465 1.00 0.00 O ATOM 1424 CB ASP A 527 106.598 -13.302 -8.501 1.00 0.00 C ATOM 1425 CG ASP A 527 106.537 -12.848 -9.946 1.00 0.00 C ATOM 1426 OD1 ASP A 527 107.515 -13.087 -10.685 1.00 0.00 O ATOM 1427 OD2 ASP A 527 105.510 -12.257 -10.340 1.00 0.00 O ATOM 0 H ASP A 527 108.193 -13.698 -6.672 1.00 0.00 H new ATOM 0 HA ASP A 527 107.578 -11.422 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 527 107.287 -14.142 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 527 105.616 -13.663 -8.195 1.00 0.00 H new ATOM 1432 N HIS A 528 105.424 -12.035 -5.749 1.00 0.00 N ATOM 1433 CA HIS A 528 104.267 -11.487 -5.050 1.00 0.00 C ATOM 1434 C HIS A 528 104.520 -10.041 -4.634 1.00 0.00 C ATOM 1435 O HIS A 528 103.675 -9.167 -4.843 1.00 0.00 O ATOM 1436 CB HIS A 528 103.941 -12.336 -3.821 1.00 0.00 C ATOM 1437 CG HIS A 528 102.474 -12.557 -3.617 1.00 0.00 C ATOM 1438 ND1 HIS A 528 101.901 -12.707 -2.372 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.460 -12.655 -4.509 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.599 -12.891 -2.507 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.307 -12.862 -3.794 1.00 0.00 N ATOM 0 H HIS A 528 105.880 -12.813 -5.272 1.00 0.00 H new ATOM 0 HA HIS A 528 103.416 -11.506 -5.731 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.436 -13.303 -3.916 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.354 -11.852 -2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.543 -12.584 -5.583 1.00 0.00 H new ATOM 0 HE1 HIS A 528 99.895 -13.040 -1.702 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.375 -12.975 -4.193 1.00 0.00 H new ATOM 1450 N GLU A 529 105.692 -9.789 -4.058 1.00 0.00 N ATOM 1451 CA GLU A 529 106.056 -8.445 -3.630 1.00 0.00 C ATOM 1452 C GLU A 529 106.231 -7.535 -4.837 1.00 0.00 C ATOM 1453 O GLU A 529 105.746 -6.404 -4.856 1.00 0.00 O ATOM 1454 CB GLU A 529 107.344 -8.479 -2.802 1.00 0.00 C ATOM 1455 CG GLU A 529 108.092 -7.156 -2.784 1.00 0.00 C ATOM 1456 CD GLU A 529 109.126 -7.086 -1.676 1.00 0.00 C ATOM 1457 OE1 GLU A 529 108.765 -7.345 -0.509 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.296 -6.771 -1.976 1.00 0.00 O ATOM 0 H GLU A 529 106.404 -10.497 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 529 105.252 -8.050 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.100 -8.763 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 529 108.001 -9.253 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.584 -7.008 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.379 -6.341 -2.662 1.00 0.00 H new ATOM 1465 N GLN A 530 106.923 -8.047 -5.847 1.00 0.00 N ATOM 1466 CA GLN A 530 107.162 -7.291 -7.071 1.00 0.00 C ATOM 1467 C GLN A 530 105.847 -6.979 -7.776 1.00 0.00 C ATOM 1468 O GLN A 530 105.655 -5.881 -8.299 1.00 0.00 O ATOM 1469 CB GLN A 530 108.082 -8.074 -8.009 1.00 0.00 C ATOM 1470 CG GLN A 530 108.364 -7.358 -9.321 1.00 0.00 C ATOM 1471 CD GLN A 530 107.900 -8.148 -10.528 1.00 0.00 C ATOM 1472 OE1 GLN A 530 108.666 -8.914 -11.114 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.640 -7.965 -10.908 1.00 0.00 N ATOM 0 H GLN A 530 107.329 -8.983 -5.843 1.00 0.00 H new ATOM 0 HA GLN A 530 107.645 -6.352 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.026 -8.268 -7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 530 107.630 -9.043 -8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 530 107.868 -6.387 -9.315 1.00 0.00 H new ATOM 0 HG3 GLN A 530 109.434 -7.169 -9.405 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.040 -7.320 -10.393 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.272 -8.469 -11.715 1.00 0.00 H new ATOM 1482 N ARG A 531 104.944 -7.954 -7.782 1.00 0.00 N ATOM 1483 CA ARG A 531 103.644 -7.790 -8.420 1.00 0.00 C ATOM 1484 C ARG A 531 102.898 -6.599 -7.833 1.00 0.00 C ATOM 1485 O ARG A 531 102.469 -5.703 -8.560 1.00 0.00 O ATOM 1486 CB ARG A 531 102.808 -9.062 -8.256 1.00 0.00 C ATOM 1487 CG ARG A 531 101.607 -9.124 -9.186 1.00 0.00 C ATOM 1488 CD ARG A 531 100.617 -8.009 -8.894 1.00 0.00 C ATOM 1489 NE ARG A 531 99.311 -8.262 -9.498 1.00 0.00 N ATOM 1490 CZ ARG A 531 99.074 -8.171 -10.803 1.00 0.00 C ATOM 1491 NH1 ARG A 531 100.054 -7.850 -11.636 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.857 -8.404 -11.275 1.00 0.00 N ATOM 0 H ARG A 531 105.089 -8.867 -7.351 1.00 0.00 H new ATOM 0 HA ARG A 531 103.808 -7.606 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.442 -9.930 -8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 531 102.462 -9.129 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.943 -9.052 -10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.112 -10.089 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 531 100.502 -7.900 -7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 531 101.013 -7.065 -9.270 1.00 0.00 H new ATOM 0 HE ARG A 531 98.539 -8.523 -8.885 1.00 0.00 H new ATOM 0 HH11 ARG A 531 100.992 -7.672 -11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 531 99.870 -7.781 -12.637 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.102 -8.653 -10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.676 -8.334 -12.276 1.00 0.00 H new ATOM 1506 N TYR A 532 102.745 -6.592 -6.513 1.00 0.00 N ATOM 1507 CA TYR A 532 102.051 -5.502 -5.840 1.00 0.00 C ATOM 1508 C TYR A 532 102.692 -4.163 -6.187 1.00 0.00 C ATOM 1509 O TYR A 532 102.000 -3.183 -6.472 1.00 0.00 O ATOM 1510 CB TYR A 532 102.069 -5.723 -4.328 1.00 0.00 C ATOM 1511 CG TYR A 532 101.406 -4.613 -3.546 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.097 -3.452 -3.240 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.092 -4.730 -3.110 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.498 -2.433 -2.523 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.485 -3.716 -2.393 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.193 -2.570 -2.102 1.00 0.00 C ATOM 1517 OH TYR A 532 99.594 -1.558 -1.387 1.00 0.00 O ATOM 0 H TYR A 532 103.090 -7.324 -5.892 1.00 0.00 H new ATOM 0 HA TYR A 532 101.016 -5.486 -6.182 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.569 -6.665 -4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.102 -5.823 -3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.120 -3.341 -3.567 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.536 -5.628 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 532 102.050 -1.534 -2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.462 -3.821 -2.063 1.00 0.00 H new ATOM 0 HH TYR A 532 98.632 -1.731 -1.319 1.00 0.00 H new ATOM 1527 N TRP A 533 104.018 -4.127 -6.179 1.00 0.00 N ATOM 1528 CA TRP A 533 104.742 -2.910 -6.509 1.00 0.00 C ATOM 1529 C TRP A 533 104.450 -2.487 -7.942 1.00 0.00 C ATOM 1530 O TRP A 533 104.297 -1.301 -8.231 1.00 0.00 O ATOM 1531 CB TRP A 533 106.241 -3.099 -6.295 1.00 0.00 C ATOM 1532 CG TRP A 533 106.656 -2.806 -4.890 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.152 -3.692 -3.980 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.588 -1.540 -4.225 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.403 -3.054 -2.792 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.066 -1.729 -2.917 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.173 -0.262 -4.613 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.138 -0.687 -1.992 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.245 0.770 -3.696 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.724 0.552 -2.399 1.00 0.00 C ATOM 0 H TRP A 533 104.611 -4.924 -5.948 1.00 0.00 H new ATOM 0 HA TRP A 533 104.402 -2.117 -5.843 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.515 -4.124 -6.546 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.788 -2.447 -6.976 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.322 -4.742 -4.167 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.779 -3.493 -1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 533 105.803 -0.084 -5.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.507 -0.852 -0.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 105.926 1.761 -3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 533 106.768 1.379 -1.705 1.00 0.00 H new ATOM 1551 N GLN A 534 104.352 -3.468 -8.836 1.00 0.00 N ATOM 1552 CA GLN A 534 104.051 -3.187 -10.231 1.00 0.00 C ATOM 1553 C GLN A 534 102.795 -2.335 -10.314 1.00 0.00 C ATOM 1554 O GLN A 534 102.738 -1.355 -11.058 1.00 0.00 O ATOM 1555 CB GLN A 534 103.857 -4.486 -11.014 1.00 0.00 C ATOM 1556 CG GLN A 534 105.162 -5.158 -11.408 1.00 0.00 C ATOM 1557 CD GLN A 534 106.045 -4.261 -12.252 1.00 0.00 C ATOM 1558 OE1 GLN A 534 105.939 -4.242 -13.479 1.00 0.00 O ATOM 1559 NE2 GLN A 534 106.922 -3.510 -11.597 1.00 0.00 N ATOM 0 H GLN A 534 104.476 -4.457 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 534 104.888 -2.646 -10.671 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.268 -5.179 -10.413 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.280 -4.275 -11.914 1.00 0.00 H new ATOM 0 HG2 GLN A 534 105.702 -5.451 -10.508 1.00 0.00 H new ATOM 0 HG3 GLN A 534 104.944 -6.072 -11.961 1.00 0.00 H new ATOM 0 HE21 GLN A 534 106.975 -3.558 -10.580 1.00 0.00 H new ATOM 0 HE22 GLN A 534 107.543 -2.885 -12.111 1.00 0.00 H new ATOM 1568 N LYS A 535 101.793 -2.712 -9.526 1.00 0.00 N ATOM 1569 CA LYS A 535 100.539 -1.981 -9.485 1.00 0.00 C ATOM 1570 C LYS A 535 100.787 -0.558 -8.991 1.00 0.00 C ATOM 1571 O LYS A 535 100.205 0.398 -9.502 1.00 0.00 O ATOM 1572 CB LYS A 535 99.534 -2.712 -8.583 1.00 0.00 C ATOM 1573 CG LYS A 535 98.689 -1.796 -7.709 1.00 0.00 C ATOM 1574 CD LYS A 535 99.378 -1.501 -6.388 1.00 0.00 C ATOM 1575 CE LYS A 535 98.700 -2.222 -5.233 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.680 -1.366 -4.569 1.00 0.00 N ATOM 0 H LYS A 535 101.829 -3.522 -8.907 1.00 0.00 H new ATOM 0 HA LYS A 535 100.117 -1.927 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 535 98.871 -3.310 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.078 -3.405 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.496 -0.862 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 535 97.721 -2.261 -7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.423 -1.806 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.369 -0.427 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.227 -3.132 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.451 -2.525 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.240 -1.893 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 98.136 -0.509 -4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 96.950 -1.097 -5.259 1.00 0.00 H new ATOM 1590 N ILE A 536 101.666 -0.427 -7.999 1.00 0.00 N ATOM 1591 CA ILE A 536 102.002 0.880 -7.446 1.00 0.00 C ATOM 1592 C ILE A 536 102.657 1.764 -8.502 1.00 0.00 C ATOM 1593 O ILE A 536 102.095 2.779 -8.912 1.00 0.00 O ATOM 1594 CB ILE A 536 102.957 0.757 -6.241 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.268 0.033 -5.084 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.442 2.131 -5.799 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.103 -0.028 -3.823 1.00 0.00 C ATOM 0 H ILE A 536 102.156 -1.209 -7.564 1.00 0.00 H new ATOM 0 HA ILE A 536 101.067 1.333 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 536 103.823 0.171 -6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.326 0.535 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.022 -0.982 -5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 536 104.114 2.023 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.972 2.612 -6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.587 2.743 -5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.550 -0.556 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.034 -0.556 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.327 0.984 -3.486 1.00 0.00 H new ATOM 1609 N LEU A 537 103.850 1.368 -8.936 1.00 0.00 N ATOM 1610 CA LEU A 537 104.590 2.120 -9.943 1.00 0.00 C ATOM 1611 C LEU A 537 103.701 2.462 -11.134 1.00 0.00 C ATOM 1612 O LEU A 537 103.522 3.633 -11.472 1.00 0.00 O ATOM 1613 CB LEU A 537 105.804 1.319 -10.415 1.00 0.00 C ATOM 1614 CG LEU A 537 107.144 1.765 -9.829 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.892 0.577 -9.245 1.00 0.00 C ATOM 1616 CD2 LEU A 537 107.986 2.456 -10.893 1.00 0.00 C ATOM 0 H LEU A 537 104.325 0.529 -8.605 1.00 0.00 H new ATOM 0 HA LEU A 537 104.928 3.051 -9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.647 0.270 -10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 537 105.861 1.382 -11.502 1.00 0.00 H new ATOM 0 HG LEU A 537 106.950 2.477 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.843 0.913 -8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 537 107.294 0.123 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 537 108.076 -0.158 -10.029 1.00 0.00 H new ATOM 0 HD21 LEU A 537 108.936 2.767 -10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 537 108.171 1.765 -11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.454 3.331 -11.267 1.00 0.00 H new ATOM 1628 N VAL A 538 103.148 1.434 -11.771 1.00 0.00 N ATOM 1629 CA VAL A 538 102.283 1.634 -12.926 1.00 0.00 C ATOM 1630 C VAL A 538 101.216 2.682 -12.633 1.00 0.00 C ATOM 1631 O VAL A 538 100.893 3.510 -13.485 1.00 0.00 O ATOM 1632 CB VAL A 538 101.596 0.322 -13.352 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.528 0.593 -14.402 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.623 -0.675 -13.870 1.00 0.00 C ATOM 0 H VAL A 538 103.284 0.458 -11.507 1.00 0.00 H new ATOM 0 HA VAL A 538 102.918 1.980 -13.741 1.00 0.00 H new ATOM 0 HB VAL A 538 101.110 -0.112 -12.478 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.054 -0.346 -14.690 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.777 1.267 -13.991 1.00 0.00 H new ATOM 0 HG13 VAL A 538 100.987 1.051 -15.278 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.120 -1.595 -14.166 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.140 -0.251 -14.731 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.346 -0.894 -13.084 1.00 0.00 H new ATOM 1644 N ASP A 539 100.678 2.651 -11.417 1.00 0.00 N ATOM 1645 CA ASP A 539 99.658 3.609 -11.015 1.00 0.00 C ATOM 1646 C ASP A 539 100.238 5.017 -10.995 1.00 0.00 C ATOM 1647 O ASP A 539 99.582 5.982 -11.396 1.00 0.00 O ATOM 1648 CB ASP A 539 99.104 3.251 -9.635 1.00 0.00 C ATOM 1649 CG ASP A 539 97.755 3.886 -9.370 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.266 4.631 -10.246 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.186 3.640 -8.285 1.00 0.00 O ATOM 0 H ASP A 539 100.932 1.975 -10.697 1.00 0.00 H new ATOM 0 HA ASP A 539 98.844 3.572 -11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 539 99.015 2.168 -9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.810 3.572 -8.869 1.00 0.00 H new ATOM 1656 N ARG A 540 101.482 5.124 -10.539 1.00 0.00 N ATOM 1657 CA ARG A 540 102.163 6.408 -10.483 1.00 0.00 C ATOM 1658 C ARG A 540 102.314 6.979 -11.885 1.00 0.00 C ATOM 1659 O ARG A 540 102.139 8.178 -12.105 1.00 0.00 O ATOM 1660 CB ARG A 540 103.534 6.256 -9.821 1.00 0.00 C ATOM 1661 CG ARG A 540 103.632 6.938 -8.467 1.00 0.00 C ATOM 1662 CD ARG A 540 102.788 6.225 -7.423 1.00 0.00 C ATOM 1663 NE ARG A 540 102.604 7.039 -6.224 1.00 0.00 N ATOM 1664 CZ ARG A 540 101.745 6.741 -5.255 1.00 0.00 C ATOM 1665 NH1 ARG A 540 100.987 5.657 -5.348 1.00 0.00 N ATOM 1666 NH2 ARG A 540 101.643 7.528 -4.192 1.00 0.00 N ATOM 0 H ARG A 540 102.037 4.336 -10.204 1.00 0.00 H new ATOM 0 HA ARG A 540 101.565 7.096 -9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.755 5.195 -9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 540 104.296 6.668 -10.483 1.00 0.00 H new ATOM 0 HG2 ARG A 540 104.673 6.959 -8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 540 103.305 7.974 -8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 540 101.815 5.980 -7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 540 103.264 5.283 -7.153 1.00 0.00 H new ATOM 0 HE ARG A 540 103.167 7.884 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 540 101.063 5.050 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 540 100.328 5.430 -4.603 1.00 0.00 H new ATOM 0 HH21 ARG A 540 102.224 8.363 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 540 100.983 7.298 -3.449 1.00 0.00 H new ATOM 1680 N GLN A 541 102.629 6.102 -12.834 1.00 0.00 N ATOM 1681 CA GLN A 541 102.792 6.506 -14.222 1.00 0.00 C ATOM 1682 C GLN A 541 101.481 7.061 -14.767 1.00 0.00 C ATOM 1683 O GLN A 541 101.469 8.040 -15.512 1.00 0.00 O ATOM 1684 CB GLN A 541 103.255 5.320 -15.069 1.00 0.00 C ATOM 1685 CG GLN A 541 104.759 5.110 -15.047 1.00 0.00 C ATOM 1686 CD GLN A 541 105.157 3.806 -14.382 1.00 0.00 C ATOM 1687 OE1 GLN A 541 105.109 2.741 -14.998 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.556 3.884 -13.118 1.00 0.00 N ATOM 0 H GLN A 541 102.776 5.107 -12.664 1.00 0.00 H new ATOM 0 HA GLN A 541 103.551 7.287 -14.270 1.00 0.00 H new ATOM 0 HB2 GLN A 541 102.765 4.415 -14.711 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.932 5.471 -16.099 1.00 0.00 H new ATOM 0 HG2 GLN A 541 105.139 5.123 -16.069 1.00 0.00 H new ATOM 0 HG3 GLN A 541 105.230 5.940 -14.521 1.00 0.00 H new ATOM 0 HE21 GLN A 541 105.580 4.788 -12.646 1.00 0.00 H new ATOM 0 HE22 GLN A 541 105.838 3.040 -12.619 1.00 0.00 H new ATOM 1697 N ALA A 542 100.375 6.430 -14.379 1.00 0.00 N ATOM 1698 CA ALA A 542 99.057 6.865 -14.818 1.00 0.00 C ATOM 1699 C ALA A 542 98.767 8.273 -14.314 1.00 0.00 C ATOM 1700 O ALA A 542 98.146 9.077 -15.008 1.00 0.00 O ATOM 1701 CB ALA A 542 97.979 5.901 -14.346 1.00 0.00 C ATOM 0 H ALA A 542 100.368 5.617 -13.762 1.00 0.00 H new ATOM 0 HA ALA A 542 99.050 6.875 -15.908 1.00 0.00 H new ATOM 0 HB1 ALA A 542 97.004 6.250 -14.688 1.00 0.00 H new ATOM 0 HB2 ALA A 542 98.173 4.909 -14.755 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.986 5.852 -13.257 1.00 0.00 H new ATOM 1707 N LYS A 543 99.227 8.563 -13.101 1.00 0.00 N ATOM 1708 CA LYS A 543 99.026 9.877 -12.499 1.00 0.00 C ATOM 1709 C LYS A 543 99.548 10.981 -13.415 1.00 0.00 C ATOM 1710 O LYS A 543 99.154 12.142 -13.293 1.00 0.00 O ATOM 1711 CB LYS A 543 99.728 9.950 -11.141 1.00 0.00 C ATOM 1712 CG LYS A 543 98.803 9.704 -9.960 1.00 0.00 C ATOM 1713 CD LYS A 543 97.717 8.698 -10.305 1.00 0.00 C ATOM 1714 CE LYS A 543 97.372 7.821 -9.112 1.00 0.00 C ATOM 1715 NZ LYS A 543 95.906 7.579 -9.005 1.00 0.00 N ATOM 0 H LYS A 543 99.742 7.906 -12.515 1.00 0.00 H new ATOM 0 HA LYS A 543 97.956 10.025 -12.356 1.00 0.00 H new ATOM 0 HB2 LYS A 543 100.534 9.216 -11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 543 100.188 10.932 -11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 543 99.383 9.339 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 543 98.345 10.644 -9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 543 96.824 9.225 -10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 543 98.049 8.073 -11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 543 97.892 6.867 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 543 97.729 8.295 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 95.713 6.977 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 95.411 8.487 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 95.569 7.104 -9.866 1.00 0.00 H new ATOM 1729 N LEU A 544 100.439 10.611 -14.331 1.00 0.00 N ATOM 1730 CA LEU A 544 101.018 11.568 -15.269 1.00 0.00 C ATOM 1731 C LEU A 544 99.940 12.176 -16.163 1.00 0.00 C ATOM 1732 O LEU A 544 100.010 13.350 -16.524 1.00 0.00 O ATOM 1733 CB LEU A 544 102.086 10.890 -16.130 1.00 0.00 C ATOM 1734 CG LEU A 544 103.076 11.840 -16.809 1.00 0.00 C ATOM 1735 CD1 LEU A 544 104.346 11.968 -15.983 1.00 0.00 C ATOM 1736 CD2 LEU A 544 103.401 11.356 -18.215 1.00 0.00 C ATOM 0 H LEU A 544 100.776 9.655 -14.444 1.00 0.00 H new ATOM 0 HA LEU A 544 101.480 12.368 -14.691 1.00 0.00 H new ATOM 0 HB2 LEU A 544 102.645 10.194 -15.505 1.00 0.00 H new ATOM 0 HB3 LEU A 544 101.589 10.299 -16.899 1.00 0.00 H new ATOM 0 HG LEU A 544 102.613 12.824 -16.882 1.00 0.00 H new ATOM 0 HD11 LEU A 544 105.037 12.647 -16.482 1.00 0.00 H new ATOM 0 HD12 LEU A 544 104.100 12.360 -14.996 1.00 0.00 H new ATOM 0 HD13 LEU A 544 104.812 10.988 -15.878 1.00 0.00 H new ATOM 0 HD21 LEU A 544 104.106 12.043 -18.683 1.00 0.00 H new ATOM 0 HD22 LEU A 544 103.844 10.361 -18.164 1.00 0.00 H new ATOM 0 HD23 LEU A 544 102.486 11.316 -18.807 1.00 0.00 H new ATOM 1748 N ASN A 545 98.945 11.368 -16.516 1.00 0.00 N ATOM 1749 CA ASN A 545 97.854 11.828 -17.366 1.00 0.00 C ATOM 1750 C ASN A 545 96.507 11.344 -16.837 1.00 0.00 C ATOM 1751 O ASN A 545 96.247 10.143 -16.779 1.00 0.00 O ATOM 1752 CB ASN A 545 98.054 11.337 -18.801 1.00 0.00 C ATOM 1753 CG ASN A 545 99.346 11.845 -19.410 1.00 0.00 C ATOM 1754 OD1 ASN A 545 100.086 11.093 -20.045 1.00 0.00 O ATOM 1755 ND2 ASN A 545 99.627 13.129 -19.219 1.00 0.00 N ATOM 0 H ASN A 545 98.872 10.393 -16.227 1.00 0.00 H new ATOM 0 HA ASN A 545 97.858 12.918 -17.357 1.00 0.00 H new ATOM 0 HB2 ASN A 545 98.054 10.247 -18.813 1.00 0.00 H new ATOM 0 HB3 ASN A 545 97.214 11.663 -19.414 1.00 0.00 H new ATOM 0 HD21 ASN A 545 100.483 13.527 -19.605 1.00 0.00 H new ATOM 0 HD22 ASN A 545 98.986 13.718 -18.686 1.00 0.00 H new ATOM 1762 N GLN A 546 95.655 12.289 -16.453 1.00 0.00 N ATOM 1763 CA GLN A 546 94.335 11.961 -15.931 1.00 0.00 C ATOM 1764 C GLN A 546 93.241 12.477 -16.861 1.00 0.00 C ATOM 1765 O GLN A 546 92.769 13.604 -16.714 1.00 0.00 O ATOM 1766 CB GLN A 546 94.155 12.556 -14.533 1.00 0.00 C ATOM 1767 CG GLN A 546 95.460 12.714 -13.768 1.00 0.00 C ATOM 1768 CD GLN A 546 95.290 13.508 -12.487 1.00 0.00 C ATOM 1769 OE1 GLN A 546 94.350 14.291 -12.347 1.00 0.00 O ATOM 1770 NE2 GLN A 546 96.203 13.310 -11.544 1.00 0.00 N ATOM 0 H GLN A 546 95.856 13.288 -16.494 1.00 0.00 H new ATOM 0 HA GLN A 546 94.254 10.876 -15.869 1.00 0.00 H new ATOM 0 HB2 GLN A 546 93.674 13.530 -14.621 1.00 0.00 H new ATOM 0 HB3 GLN A 546 93.482 11.919 -13.960 1.00 0.00 H new ATOM 0 HG2 GLN A 546 95.860 11.728 -13.530 1.00 0.00 H new ATOM 0 HG3 GLN A 546 96.193 13.210 -14.405 1.00 0.00 H new ATOM 0 HE21 GLN A 546 96.965 12.651 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 546 96.142 13.816 -10.661 1.00 0.00 H new ATOM 1779 N PRO A 547 92.829 11.654 -17.838 1.00 0.00 N ATOM 1780 CA PRO A 547 91.788 12.025 -18.801 1.00 0.00 C ATOM 1781 C PRO A 547 90.478 12.408 -18.120 1.00 0.00 C ATOM 1782 O PRO A 547 89.755 11.550 -17.614 1.00 0.00 O ATOM 1783 CB PRO A 547 91.602 10.759 -19.651 1.00 0.00 C ATOM 1784 CG PRO A 547 92.239 9.660 -18.870 1.00 0.00 C ATOM 1785 CD PRO A 547 93.342 10.299 -18.080 1.00 0.00 C ATOM 0 HA PRO A 547 92.074 12.900 -19.384 1.00 0.00 H new ATOM 0 HB2 PRO A 547 90.546 10.555 -19.826 1.00 0.00 H new ATOM 0 HB3 PRO A 547 92.072 10.870 -20.628 1.00 0.00 H new ATOM 0 HG2 PRO A 547 91.515 9.179 -18.211 1.00 0.00 H new ATOM 0 HG3 PRO A 547 92.630 8.887 -19.532 1.00 0.00 H new ATOM 0 HD2 PRO A 547 93.532 9.767 -17.148 1.00 0.00 H new ATOM 0 HD3 PRO A 547 94.280 10.315 -18.635 1.00 0.00 H new ATOM 1793 N ARG A 548 90.180 13.702 -18.116 1.00 0.00 N ATOM 1794 CA ARG A 548 88.959 14.206 -17.500 1.00 0.00 C ATOM 1795 C ARG A 548 88.613 13.415 -16.243 1.00 0.00 C ATOM 1796 O ARG A 548 87.731 12.555 -16.262 1.00 0.00 O ATOM 1797 CB ARG A 548 87.799 14.143 -18.495 1.00 0.00 C ATOM 1798 CG ARG A 548 88.206 14.473 -19.922 1.00 0.00 C ATOM 1799 CD ARG A 548 88.639 15.924 -20.053 1.00 0.00 C ATOM 1800 NE ARG A 548 89.586 16.118 -21.147 1.00 0.00 N ATOM 1801 CZ ARG A 548 89.929 17.312 -21.618 1.00 0.00 C ATOM 1802 NH1 ARG A 548 89.404 18.409 -21.092 1.00 0.00 N ATOM 1803 NH2 ARG A 548 90.799 17.410 -22.614 1.00 0.00 N ATOM 0 H ARG A 548 90.769 14.423 -18.534 1.00 0.00 H new ATOM 0 HA ARG A 548 89.128 15.244 -17.215 1.00 0.00 H new ATOM 0 HB2 ARG A 548 87.364 13.144 -18.471 1.00 0.00 H new ATOM 0 HB3 ARG A 548 87.021 14.837 -18.178 1.00 0.00 H new ATOM 0 HG2 ARG A 548 89.022 13.819 -20.230 1.00 0.00 H new ATOM 0 HG3 ARG A 548 87.371 14.279 -20.595 1.00 0.00 H new ATOM 0 HD2 ARG A 548 87.762 16.550 -20.218 1.00 0.00 H new ATOM 0 HD3 ARG A 548 89.094 16.252 -19.118 1.00 0.00 H new ATOM 0 HE ARG A 548 90.007 15.292 -21.573 1.00 0.00 H new ATOM 0 HH11 ARG A 548 88.736 18.337 -20.325 1.00 0.00 H new ATOM 0 HH12 ARG A 548 89.668 19.325 -21.454 1.00 0.00 H new ATOM 0 HH21 ARG A 548 91.206 16.568 -23.020 1.00 0.00 H new ATOM 0 HH22 ARG A 548 91.061 18.328 -22.974 1.00 0.00 H new ATOM 1817 N GLU A 549 89.311 13.712 -15.153 1.00 0.00 N ATOM 1818 CA GLU A 549 89.077 13.029 -13.886 1.00 0.00 C ATOM 1819 C GLU A 549 89.118 11.515 -14.067 1.00 0.00 C ATOM 1820 O GLU A 549 89.605 11.014 -15.080 1.00 0.00 O ATOM 1821 CB GLU A 549 87.726 13.450 -13.302 1.00 0.00 C ATOM 1822 CG GLU A 549 87.839 14.166 -11.966 1.00 0.00 C ATOM 1823 CD GLU A 549 87.207 13.384 -10.831 1.00 0.00 C ATOM 1824 OE1 GLU A 549 87.951 12.926 -9.939 1.00 0.00 O ATOM 1825 OE2 GLU A 549 85.967 13.231 -10.835 1.00 0.00 O ATOM 0 H GLU A 549 90.044 14.421 -15.121 1.00 0.00 H new ATOM 0 HA GLU A 549 89.870 13.313 -13.195 1.00 0.00 H new ATOM 0 HB2 GLU A 549 87.219 14.103 -14.013 1.00 0.00 H new ATOM 0 HB3 GLU A 549 87.101 12.566 -13.179 1.00 0.00 H new ATOM 0 HG2 GLU A 549 88.891 14.342 -11.740 1.00 0.00 H new ATOM 0 HG3 GLU A 549 87.361 15.143 -12.040 1.00 0.00 H new ATOM 1832 N LYS A 550 88.603 10.791 -13.078 1.00 0.00 N ATOM 1833 CA LYS A 550 88.581 9.333 -13.125 1.00 0.00 C ATOM 1834 C LYS A 550 87.153 8.807 -13.035 1.00 0.00 C ATOM 1835 O LYS A 550 86.923 7.677 -12.604 1.00 0.00 O ATOM 1836 CB LYS A 550 89.422 8.752 -11.988 1.00 0.00 C ATOM 1837 CG LYS A 550 90.827 9.327 -11.918 1.00 0.00 C ATOM 1838 CD LYS A 550 90.878 10.567 -11.042 1.00 0.00 C ATOM 1839 CE LYS A 550 92.077 11.437 -11.379 1.00 0.00 C ATOM 1840 NZ LYS A 550 93.314 10.967 -10.696 1.00 0.00 N ATOM 0 H LYS A 550 88.195 11.191 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 550 89.005 9.020 -14.079 1.00 0.00 H new ATOM 0 HB2 LYS A 550 88.915 8.936 -11.041 1.00 0.00 H new ATOM 0 HB3 LYS A 550 89.486 7.671 -12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 550 91.510 8.574 -11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 550 91.170 9.575 -12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 550 89.962 11.143 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 550 90.924 10.272 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 550 92.235 11.435 -12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 550 91.871 12.467 -11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 94.109 11.587 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 93.173 10.992 -9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 93.525 9.993 -10.992 1.00 0.00 H new ATOM 1854 N LYS A 551 86.196 9.633 -13.443 1.00 0.00 N ATOM 1855 CA LYS A 551 84.790 9.248 -13.407 1.00 0.00 C ATOM 1856 C LYS A 551 84.216 9.421 -12.005 1.00 0.00 C ATOM 1857 O LYS A 551 84.591 8.703 -11.078 1.00 0.00 O ATOM 1858 CB LYS A 551 84.624 7.797 -13.863 1.00 0.00 C ATOM 1859 CG LYS A 551 85.536 7.414 -15.016 1.00 0.00 C ATOM 1860 CD LYS A 551 84.746 6.854 -16.189 1.00 0.00 C ATOM 1861 CE LYS A 551 84.666 5.337 -16.132 1.00 0.00 C ATOM 1862 NZ LYS A 551 84.692 4.727 -17.490 1.00 0.00 N ATOM 0 H LYS A 551 86.368 10.572 -13.802 1.00 0.00 H new ATOM 0 HA LYS A 551 84.243 9.900 -14.088 1.00 0.00 H new ATOM 0 HB2 LYS A 551 84.821 7.135 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 551 83.588 7.635 -14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 551 86.101 8.288 -15.340 1.00 0.00 H new ATOM 0 HG3 LYS A 551 86.261 6.674 -14.678 1.00 0.00 H new ATOM 0 HD2 LYS A 551 83.740 7.273 -16.185 1.00 0.00 H new ATOM 0 HD3 LYS A 551 85.215 7.160 -17.124 1.00 0.00 H new ATOM 0 HE2 LYS A 551 85.500 4.952 -15.545 1.00 0.00 H new ATOM 0 HE3 LYS A 551 83.751 5.041 -15.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 84.636 3.692 -17.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 83.882 5.075 -18.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 85.576 4.988 -17.971 1.00 0.00 H new ATOM 1876 N ARG A 552 83.307 10.378 -11.856 1.00 0.00 N ATOM 1877 CA ARG A 552 82.682 10.644 -10.565 1.00 0.00 C ATOM 1878 C ARG A 552 82.317 9.343 -9.858 1.00 0.00 C ATOM 1879 O ARG A 552 82.389 8.264 -10.445 1.00 0.00 O ATOM 1880 CB ARG A 552 81.432 11.507 -10.746 1.00 0.00 C ATOM 1881 CG ARG A 552 81.717 13.000 -10.753 1.00 0.00 C ATOM 1882 CD ARG A 552 80.571 13.788 -10.139 1.00 0.00 C ATOM 1883 NE ARG A 552 79.273 13.341 -10.636 1.00 0.00 N ATOM 1884 CZ ARG A 552 78.113 13.752 -10.135 1.00 0.00 C ATOM 1885 NH1 ARG A 552 78.090 14.606 -9.121 1.00 0.00 N ATOM 1886 NH2 ARG A 552 76.973 13.307 -10.646 1.00 0.00 N ATOM 0 H ARG A 552 82.986 10.982 -12.613 1.00 0.00 H new ATOM 0 HA ARG A 552 83.400 11.183 -9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 552 80.945 11.234 -11.683 1.00 0.00 H new ATOM 0 HB3 ARG A 552 80.728 11.284 -9.944 1.00 0.00 H new ATOM 0 HG2 ARG A 552 82.635 13.199 -10.200 1.00 0.00 H new ATOM 0 HG3 ARG A 552 81.883 13.335 -11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 552 80.599 13.684 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 552 80.699 14.847 -10.361 1.00 0.00 H new ATOM 0 HE ARG A 552 79.256 12.677 -11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 552 78.964 14.949 -8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 552 77.198 14.920 -8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 552 76.986 12.648 -11.425 1.00 0.00 H new ATOM 0 HH22 ARG A 552 76.083 13.623 -10.260 1.00 0.00 H new ATOM 1900 N GLY A 553 81.925 9.454 -8.593 1.00 0.00 N ATOM 1901 CA GLY A 553 81.555 8.281 -7.825 1.00 0.00 C ATOM 1902 C GLY A 553 80.077 8.254 -7.483 1.00 0.00 C ATOM 1903 O GLY A 553 79.259 7.793 -8.278 1.00 0.00 O ATOM 0 H GLY A 553 81.857 10.337 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 553 81.810 7.385 -8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 553 82.138 8.254 -6.905 1.00 0.00 H new ATOM 1907 N THR A 554 79.734 8.752 -6.299 1.00 0.00 N ATOM 1908 CA THR A 554 78.345 8.783 -5.858 1.00 0.00 C ATOM 1909 C THR A 554 77.511 9.701 -6.744 1.00 0.00 C ATOM 1910 O THR A 554 77.679 10.920 -6.723 1.00 0.00 O ATOM 1911 CB THR A 554 78.227 9.252 -4.395 1.00 0.00 C ATOM 1912 OG1 THR A 554 79.379 8.875 -3.630 1.00 0.00 O ATOM 1913 CG2 THR A 554 76.994 8.656 -3.734 1.00 0.00 C ATOM 0 H THR A 554 80.399 9.139 -5.629 1.00 0.00 H new ATOM 0 HA THR A 554 77.966 7.764 -5.934 1.00 0.00 H new ATOM 0 HB THR A 554 78.148 10.339 -4.416 1.00 0.00 H new ATOM 0 HG1 THR A 554 79.275 9.188 -2.707 1.00 0.00 H new ATOM 0 HG21 THR A 554 76.932 9.001 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 554 76.102 8.971 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 554 77.063 7.568 -3.749 1.00 0.00 H new ATOM 1921 N GLU A 555 76.612 9.108 -7.522 1.00 0.00 N ATOM 1922 CA GLU A 555 75.753 9.874 -8.418 1.00 0.00 C ATOM 1923 C GLU A 555 74.292 9.468 -8.254 1.00 0.00 C ATOM 1924 O GLU A 555 73.565 9.323 -9.236 1.00 0.00 O ATOM 1925 CB GLU A 555 76.188 9.670 -9.869 1.00 0.00 C ATOM 1926 CG GLU A 555 76.899 8.348 -10.107 1.00 0.00 C ATOM 1927 CD GLU A 555 76.867 7.920 -11.561 1.00 0.00 C ATOM 1928 OE1 GLU A 555 76.789 8.805 -12.440 1.00 0.00 O ATOM 1929 OE2 GLU A 555 76.921 6.699 -11.822 1.00 0.00 O ATOM 0 H GLU A 555 76.459 8.100 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 555 75.849 10.928 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 555 75.311 9.723 -10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 555 76.848 10.487 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 555 77.935 8.434 -9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 555 76.435 7.575 -9.495 1.00 0.00 H new ATOM 1936 N LYS A 556 73.869 9.287 -7.009 1.00 0.00 N ATOM 1937 CA LYS A 556 72.495 8.899 -6.719 1.00 0.00 C ATOM 1938 C LYS A 556 71.755 10.026 -6.007 1.00 0.00 C ATOM 1939 O LYS A 556 72.335 11.072 -5.711 1.00 0.00 O ATOM 1940 CB LYS A 556 72.470 7.634 -5.860 1.00 0.00 C ATOM 1941 CG LYS A 556 73.670 6.727 -6.080 1.00 0.00 C ATOM 1942 CD LYS A 556 73.317 5.267 -5.845 1.00 0.00 C ATOM 1943 CE LYS A 556 72.350 4.749 -6.898 1.00 0.00 C ATOM 1944 NZ LYS A 556 72.900 3.572 -7.627 1.00 0.00 N ATOM 0 H LYS A 556 74.458 9.403 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 556 71.992 8.696 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 556 72.428 7.919 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 556 71.559 7.076 -6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 556 74.041 6.853 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 556 74.477 7.020 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 556 74.226 4.666 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 556 72.874 5.154 -4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 556 71.409 4.474 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 556 72.127 5.545 -7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 72.211 3.249 -8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 73.785 3.841 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 73.089 2.803 -6.953 1.00 0.00 H new ATOM 1958 N LEU A 557 70.474 9.809 -5.734 1.00 0.00 N ATOM 1959 CA LEU A 557 69.657 10.808 -5.059 1.00 0.00 C ATOM 1960 C LEU A 557 69.184 10.298 -3.701 1.00 0.00 C ATOM 1961 O LEU A 557 69.397 10.945 -2.676 1.00 0.00 O ATOM 1962 CB LEU A 557 68.454 11.182 -5.926 1.00 0.00 C ATOM 1963 CG LEU A 557 68.789 11.980 -7.187 1.00 0.00 C ATOM 1964 CD1 LEU A 557 68.999 11.047 -8.371 1.00 0.00 C ATOM 1965 CD2 LEU A 557 67.687 12.984 -7.488 1.00 0.00 C ATOM 0 H LEU A 557 69.979 8.949 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 557 70.270 11.695 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 557 67.938 10.268 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 557 67.756 11.762 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 557 69.716 12.526 -7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 557 69.236 11.633 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 557 69.822 10.365 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 557 68.089 10.473 -8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 557 67.941 13.544 -8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 557 66.746 12.456 -7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 557 67.583 13.673 -6.650 1.00 0.00 H new ATOM 1977 N ILE A 558 68.542 9.134 -3.703 1.00 0.00 N ATOM 1978 CA ILE A 558 68.042 8.538 -2.469 1.00 0.00 C ATOM 1979 C ILE A 558 66.771 9.236 -1.998 1.00 0.00 C ATOM 1980 O ILE A 558 66.767 9.908 -0.966 1.00 0.00 O ATOM 1981 CB ILE A 558 69.097 8.602 -1.348 1.00 0.00 C ATOM 1982 CG1 ILE A 558 70.445 8.089 -1.856 1.00 0.00 C ATOM 1983 CG2 ILE A 558 68.637 7.797 -0.142 1.00 0.00 C ATOM 1984 CD1 ILE A 558 70.415 6.639 -2.291 1.00 0.00 C ATOM 0 H ILE A 558 68.356 8.586 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 558 67.819 7.494 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 558 69.218 9.641 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 558 70.766 8.705 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 558 71.190 8.209 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 558 69.393 7.852 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 558 67.697 8.205 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 558 68.491 6.757 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 558 71.405 6.343 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 558 70.125 6.012 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 558 69.694 6.516 -3.099 1.00 0.00 H new ATOM 1996 N THR A 559 65.694 9.075 -2.761 1.00 0.00 N ATOM 1997 CA THR A 559 64.418 9.693 -2.421 1.00 0.00 C ATOM 1998 C THR A 559 63.325 8.645 -2.234 1.00 0.00 C ATOM 1999 O THR A 559 62.610 8.649 -1.232 1.00 0.00 O ATOM 2000 CB THR A 559 63.973 10.696 -3.502 1.00 0.00 C ATOM 2001 OG1 THR A 559 65.072 11.496 -3.956 1.00 0.00 O ATOM 2002 CG2 THR A 559 62.891 11.621 -2.968 1.00 0.00 C ATOM 0 H THR A 559 65.680 8.522 -3.618 1.00 0.00 H new ATOM 0 HA THR A 559 64.568 10.225 -1.481 1.00 0.00 H new ATOM 0 HB THR A 559 63.583 10.112 -4.336 1.00 0.00 H new ATOM 0 HG1 THR A 559 64.760 12.122 -4.643 1.00 0.00 H new ATOM 0 HG21 THR A 559 62.592 12.321 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 559 62.028 11.031 -2.660 1.00 0.00 H new ATOM 0 HG23 THR A 559 63.276 12.175 -2.112 1.00 0.00 H new ATOM 2010 N LYS A 560 63.200 7.751 -3.206 1.00 0.00 N ATOM 2011 CA LYS A 560 62.194 6.697 -3.152 1.00 0.00 C ATOM 2012 C LYS A 560 62.175 5.890 -4.447 1.00 0.00 C ATOM 2013 O LYS A 560 61.510 6.264 -5.413 1.00 0.00 O ATOM 2014 CB LYS A 560 60.811 7.298 -2.892 1.00 0.00 C ATOM 2015 CG LYS A 560 60.026 6.573 -1.812 1.00 0.00 C ATOM 2016 CD LYS A 560 59.325 7.549 -0.880 1.00 0.00 C ATOM 2017 CE LYS A 560 60.140 7.802 0.377 1.00 0.00 C ATOM 2018 NZ LYS A 560 60.689 6.540 0.946 1.00 0.00 N ATOM 0 H LYS A 560 63.783 7.734 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 560 62.453 6.026 -2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 560 60.926 8.343 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 560 60.237 7.283 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 560 59.288 5.918 -2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 560 60.699 5.938 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 560 59.154 8.492 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 560 58.346 7.154 -0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 560 60.959 8.483 0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 560 59.515 8.294 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 60.778 6.634 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 60.048 5.752 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 61.625 6.352 0.534 1.00 0.00 H new ATOM 2032 N ALA A 561 62.910 4.783 -4.460 1.00 0.00 N ATOM 2033 CA ALA A 561 62.975 3.924 -5.636 1.00 0.00 C ATOM 2034 C ALA A 561 62.972 4.751 -6.916 1.00 0.00 C ATOM 2035 O ALA A 561 62.177 4.432 -7.825 1.00 0.00 O ATOM 2036 CB ALA A 561 61.821 2.932 -5.651 1.00 0.00 C ATOM 2037 OXT ALA A 561 63.765 5.714 -7.000 1.00 0.00 O ATOM 0 H ALA A 561 63.468 4.460 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 561 63.910 3.366 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 561 61.893 2.303 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 561 61.867 2.307 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 561 60.875 3.474 -5.666 1.00 0.00 H new TER 2043 ALA A 561