USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 514 ASN : amide:sc= -0.326 K(o=-0.48,f=1.4) USER MOD Set 1.2: A 518 CYS SG : rot 180:sc= -0.15 USER MOD Single : A 437 MET CE :methyl 147:sc= -0.54 (180deg=-2.13!) USER MOD Single : A 438 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 439 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.04) USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 441 HIS : no HD1:sc= -0.0956 X(o=-0.096,f=-0.35) USER MOD Single : A 442 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-0.1) USER MOD Single : A 443 HIS : no HD1:sc=-0.00538 X(o=-0.0054,f=0) USER MOD Single : A 444 SER OG : rot 180:sc= 0.062 USER MOD Single : A 445 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.076) USER MOD Single : A 447 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 453 SER OG : rot 62:sc= -0.653 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot -53:sc= -1.83! USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.9!) USER MOD Single : A 474 THR OG1 : rot -85:sc= -1.65 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 -170:sc= -4.08! USER MOD Single : A 494 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.6) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 504 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 508 ASN : amide:sc= -1.94 K(o=-1.9,f=-3.4!) USER MOD Single : A 510 TYR OH : rot 46:sc= -0.439 USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-4.1) USER MOD Single : A 520 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.221) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -6.61! C(o=-6.6!,f=-8!) USER MOD Single : A 530 GLN : amide:sc= -0.808 K(o=-0.81,f=-2!) USER MOD Single : A 532 TYR OH : rot 150:sc= -0.656 USER MOD Single : A 534 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.69) USER MOD Single : A 535 LYS NZ :NH3+ -149:sc= -0.225 (180deg=-0.983) USER MOD Single : A 541 GLN : amide:sc= -3.34! C(o=-3.3!,f=-8.5!) USER MOD Single : A 543 LYS NZ :NH3+ -174:sc= -0.232 (180deg=-0.3) USER MOD Single : A 545 ASN : amide:sc= -0.0641 X(o=-0.064,f=0) USER MOD Single : A 546 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.0237 USER MOD Single : A 556 LYS NZ :NH3+ -160:sc=-0.00228 (180deg=-0.199) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 114.936 29.053 -5.477 1.00 0.00 N ATOM 2 CA MET A 437 116.085 29.084 -4.535 1.00 0.00 C ATOM 3 C MET A 437 116.903 27.799 -4.616 1.00 0.00 C ATOM 4 O MET A 437 118.078 27.821 -4.983 1.00 0.00 O ATOM 5 CB MET A 437 115.547 29.276 -3.117 1.00 0.00 C ATOM 6 CG MET A 437 115.037 30.681 -2.844 1.00 0.00 C ATOM 7 SD MET A 437 115.602 31.331 -1.260 1.00 0.00 S ATOM 8 CE MET A 437 117.364 31.042 -1.384 1.00 0.00 C ATOM 0 HA MET A 437 116.744 29.909 -4.804 1.00 0.00 H new ATOM 0 HB2 MET A 437 114.739 28.565 -2.945 1.00 0.00 H new ATOM 0 HB3 MET A 437 116.336 29.040 -2.403 1.00 0.00 H new ATOM 0 HG2 MET A 437 115.367 31.345 -3.643 1.00 0.00 H new ATOM 0 HG3 MET A 437 113.947 30.678 -2.863 1.00 0.00 H new ATOM 0 HE1 MET A 437 117.900 31.832 -0.858 1.00 0.00 H new ATOM 0 HE2 MET A 437 117.607 30.078 -0.937 1.00 0.00 H new ATOM 0 HE3 MET A 437 117.659 31.040 -2.433 1.00 0.00 H new ATOM 20 N HIS A 438 116.274 26.680 -4.270 1.00 0.00 N ATOM 21 CA HIS A 438 116.945 25.385 -4.304 1.00 0.00 C ATOM 22 C HIS A 438 115.951 24.264 -4.589 1.00 0.00 C ATOM 23 O HIS A 438 114.764 24.381 -4.284 1.00 0.00 O ATOM 24 CB HIS A 438 117.663 25.123 -2.978 1.00 0.00 C ATOM 25 CG HIS A 438 119.065 24.628 -3.148 1.00 0.00 C ATOM 26 ND1 HIS A 438 119.370 23.313 -3.433 1.00 0.00 N ATOM 27 CD2 HIS A 438 120.251 25.279 -3.075 1.00 0.00 C ATOM 28 CE1 HIS A 438 120.680 23.177 -3.528 1.00 0.00 C ATOM 29 NE2 HIS A 438 121.238 24.355 -3.316 1.00 0.00 N ATOM 0 H HIS A 438 115.302 26.644 -3.963 1.00 0.00 H new ATOM 0 HA HIS A 438 117.680 25.406 -5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 438 117.679 26.043 -2.394 1.00 0.00 H new ATOM 0 HB3 HIS A 438 117.094 24.391 -2.404 1.00 0.00 H new ATOM 0 HD2 HIS A 438 120.394 26.329 -2.866 1.00 0.00 H new ATOM 0 HE1 HIS A 438 121.206 22.258 -3.743 1.00 0.00 H new ATOM 0 HE2 HIS A 438 122.240 24.547 -3.329 1.00 0.00 H new ATOM 38 N HIS A 439 116.442 23.178 -5.178 1.00 0.00 N ATOM 39 CA HIS A 439 115.596 22.037 -5.505 1.00 0.00 C ATOM 40 C HIS A 439 116.078 20.779 -4.789 1.00 0.00 C ATOM 41 O HIS A 439 116.301 19.744 -5.416 1.00 0.00 O ATOM 42 CB HIS A 439 115.582 21.801 -7.016 1.00 0.00 C ATOM 43 CG HIS A 439 116.052 22.980 -7.813 1.00 0.00 C ATOM 44 ND1 HIS A 439 115.196 23.806 -8.510 1.00 0.00 N ATOM 45 CD2 HIS A 439 117.297 23.470 -8.019 1.00 0.00 C ATOM 46 CE1 HIS A 439 115.895 24.752 -9.114 1.00 0.00 C ATOM 47 NE2 HIS A 439 117.171 24.570 -8.831 1.00 0.00 N ATOM 0 H HIS A 439 117.422 23.065 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 439 114.583 22.261 -5.169 1.00 0.00 H new ATOM 0 HB2 HIS A 439 116.213 20.943 -7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 439 114.569 21.545 -7.326 1.00 0.00 H new ATOM 0 HD2 HIS A 439 118.217 23.070 -7.619 1.00 0.00 H new ATOM 0 HE1 HIS A 439 115.491 25.539 -9.733 1.00 0.00 H new ATOM 0 HE2 HIS A 439 117.940 25.153 -9.162 1.00 0.00 H new ATOM 56 N HIS A 440 116.238 20.878 -3.473 1.00 0.00 N ATOM 57 CA HIS A 440 116.695 19.751 -2.670 1.00 0.00 C ATOM 58 C HIS A 440 118.124 19.365 -3.041 1.00 0.00 C ATOM 59 O HIS A 440 119.040 19.483 -2.227 1.00 0.00 O ATOM 60 CB HIS A 440 115.763 18.551 -2.857 1.00 0.00 C ATOM 61 CG HIS A 440 114.411 18.742 -2.242 1.00 0.00 C ATOM 62 ND1 HIS A 440 114.224 19.017 -0.903 1.00 0.00 N ATOM 63 CD2 HIS A 440 113.172 18.698 -2.790 1.00 0.00 C ATOM 64 CE1 HIS A 440 112.931 19.133 -0.654 1.00 0.00 C ATOM 65 NE2 HIS A 440 112.272 18.944 -1.782 1.00 0.00 N ATOM 0 H HIS A 440 116.057 21.729 -2.940 1.00 0.00 H new ATOM 0 HA HIS A 440 116.679 20.052 -1.623 1.00 0.00 H new ATOM 0 HB2 HIS A 440 115.644 18.356 -3.923 1.00 0.00 H new ATOM 0 HB3 HIS A 440 116.230 17.667 -2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 440 112.936 18.505 -3.826 1.00 0.00 H new ATOM 0 HE1 HIS A 440 112.489 19.346 0.308 1.00 0.00 H new ATOM 0 HE2 HIS A 440 111.258 18.976 -1.888 1.00 0.00 H new ATOM 74 N HIS A 441 118.307 18.903 -4.274 1.00 0.00 N ATOM 75 CA HIS A 441 119.627 18.503 -4.749 1.00 0.00 C ATOM 76 C HIS A 441 120.117 19.437 -5.851 1.00 0.00 C ATOM 77 O HIS A 441 119.323 19.970 -6.626 1.00 0.00 O ATOM 78 CB HIS A 441 119.590 17.063 -5.267 1.00 0.00 C ATOM 79 CG HIS A 441 120.192 16.071 -4.321 1.00 0.00 C ATOM 80 ND1 HIS A 441 121.400 16.273 -3.684 1.00 0.00 N ATOM 81 CD2 HIS A 441 119.748 14.861 -3.904 1.00 0.00 C ATOM 82 CE1 HIS A 441 121.671 15.230 -2.918 1.00 0.00 C ATOM 83 NE2 HIS A 441 120.684 14.362 -3.034 1.00 0.00 N ATOM 0 H HIS A 441 117.560 18.797 -4.961 1.00 0.00 H new ATOM 0 HA HIS A 441 120.320 18.565 -3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 441 118.555 16.783 -5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 441 120.120 17.014 -6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 441 118.828 14.379 -4.201 1.00 0.00 H new ATOM 0 HE1 HIS A 441 122.550 15.109 -2.302 1.00 0.00 H new ATOM 0 HE2 HIS A 441 120.626 13.464 -2.554 1.00 0.00 H new ATOM 92 N HIS A 442 121.430 19.630 -5.915 1.00 0.00 N ATOM 93 CA HIS A 442 122.027 20.499 -6.923 1.00 0.00 C ATOM 94 C HIS A 442 122.265 19.737 -8.223 1.00 0.00 C ATOM 95 O HIS A 442 122.377 20.336 -9.292 1.00 0.00 O ATOM 96 CB HIS A 442 123.345 21.083 -6.408 1.00 0.00 C ATOM 97 CG HIS A 442 123.885 22.186 -7.264 1.00 0.00 C ATOM 98 ND1 HIS A 442 125.131 22.745 -7.071 1.00 0.00 N ATOM 99 CD2 HIS A 442 123.341 22.838 -8.320 1.00 0.00 C ATOM 100 CE1 HIS A 442 125.330 23.693 -7.969 1.00 0.00 C ATOM 101 NE2 HIS A 442 124.260 23.768 -8.740 1.00 0.00 N ATOM 0 H HIS A 442 122.101 19.197 -5.281 1.00 0.00 H new ATOM 0 HA HIS A 442 121.332 21.315 -7.123 1.00 0.00 H new ATOM 0 HB2 HIS A 442 123.195 21.459 -5.396 1.00 0.00 H new ATOM 0 HB3 HIS A 442 124.086 20.286 -6.346 1.00 0.00 H new ATOM 0 HD2 HIS A 442 122.367 22.660 -8.751 1.00 0.00 H new ATOM 0 HE1 HIS A 442 126.217 24.303 -8.058 1.00 0.00 H new ATOM 0 HE2 HIS A 442 124.136 24.412 -9.521 1.00 0.00 H new ATOM 110 N HIS A 443 122.338 18.413 -8.123 1.00 0.00 N ATOM 111 CA HIS A 443 122.561 17.569 -9.292 1.00 0.00 C ATOM 112 C HIS A 443 121.258 16.913 -9.739 1.00 0.00 C ATOM 113 O HIS A 443 120.215 17.086 -9.108 1.00 0.00 O ATOM 114 CB HIS A 443 123.604 16.494 -8.979 1.00 0.00 C ATOM 115 CG HIS A 443 124.890 16.668 -9.729 1.00 0.00 C ATOM 116 ND1 HIS A 443 126.111 16.818 -9.105 1.00 0.00 N ATOM 117 CD2 HIS A 443 125.142 16.711 -11.060 1.00 0.00 C ATOM 118 CE1 HIS A 443 127.058 16.947 -10.018 1.00 0.00 C ATOM 119 NE2 HIS A 443 126.496 16.886 -11.210 1.00 0.00 N ATOM 0 H HIS A 443 122.246 17.902 -7.245 1.00 0.00 H new ATOM 0 HA HIS A 443 122.930 18.198 -10.102 1.00 0.00 H new ATOM 0 HB2 HIS A 443 123.813 16.503 -7.909 1.00 0.00 H new ATOM 0 HB3 HIS A 443 123.186 15.515 -9.214 1.00 0.00 H new ATOM 0 HD2 HIS A 443 124.415 16.624 -11.854 1.00 0.00 H new ATOM 0 HE1 HIS A 443 128.112 17.080 -9.822 1.00 0.00 H new ATOM 0 HE2 HIS A 443 126.988 16.957 -12.101 1.00 0.00 H new ATOM 128 N SER A 444 121.326 16.159 -10.831 1.00 0.00 N ATOM 129 CA SER A 444 120.152 15.477 -11.362 1.00 0.00 C ATOM 130 C SER A 444 119.824 14.234 -10.541 1.00 0.00 C ATOM 131 O SER A 444 120.441 13.981 -9.506 1.00 0.00 O ATOM 132 CB SER A 444 120.378 15.092 -12.825 1.00 0.00 C ATOM 133 OG SER A 444 121.723 14.706 -13.049 1.00 0.00 O ATOM 0 H SER A 444 122.181 16.005 -11.365 1.00 0.00 H new ATOM 0 HA SER A 444 119.307 16.163 -11.300 1.00 0.00 H new ATOM 0 HB2 SER A 444 119.711 14.273 -13.096 1.00 0.00 H new ATOM 0 HB3 SER A 444 120.126 15.934 -13.469 1.00 0.00 H new ATOM 0 HG SER A 444 121.841 14.463 -13.991 1.00 0.00 H new ATOM 139 N ASN A 445 118.850 13.460 -11.009 1.00 0.00 N ATOM 140 CA ASN A 445 118.442 12.242 -10.316 1.00 0.00 C ATOM 141 C ASN A 445 117.896 11.210 -11.297 1.00 0.00 C ATOM 142 O ASN A 445 117.277 11.561 -12.303 1.00 0.00 O ATOM 143 CB ASN A 445 117.387 12.563 -9.256 1.00 0.00 C ATOM 144 CG ASN A 445 117.896 12.347 -7.844 1.00 0.00 C ATOM 145 OD1 ASN A 445 117.670 13.170 -6.957 1.00 0.00 O ATOM 146 ND2 ASN A 445 118.589 11.235 -7.628 1.00 0.00 N ATOM 0 H ASN A 445 118.329 13.654 -11.864 1.00 0.00 H new ATOM 0 HA ASN A 445 119.322 11.821 -9.829 1.00 0.00 H new ATOM 0 HB2 ASN A 445 117.067 13.599 -9.369 1.00 0.00 H new ATOM 0 HB3 ASN A 445 116.509 11.939 -9.421 1.00 0.00 H new ATOM 0 HD21 ASN A 445 118.957 11.036 -6.698 1.00 0.00 H new ATOM 0 HD22 ASN A 445 118.753 10.580 -8.392 1.00 0.00 H new ATOM 153 N ALA A 446 118.127 9.938 -10.997 1.00 0.00 N ATOM 154 CA ALA A 446 117.659 8.851 -11.847 1.00 0.00 C ATOM 155 C ALA A 446 117.071 7.723 -11.007 1.00 0.00 C ATOM 156 O ALA A 446 117.729 7.198 -10.109 1.00 0.00 O ATOM 157 CB ALA A 446 118.784 8.323 -12.726 1.00 0.00 C ATOM 0 H ALA A 446 118.638 9.633 -10.168 1.00 0.00 H new ATOM 0 HA ALA A 446 116.876 9.247 -12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 446 118.408 7.513 -13.350 1.00 0.00 H new ATOM 0 HB2 ALA A 446 119.158 9.127 -13.361 1.00 0.00 H new ATOM 0 HB3 ALA A 446 119.593 7.951 -12.097 1.00 0.00 H new ATOM 163 N THR A 447 115.828 7.356 -11.302 1.00 0.00 N ATOM 164 CA THR A 447 115.153 6.292 -10.570 1.00 0.00 C ATOM 165 C THR A 447 114.764 5.147 -11.498 1.00 0.00 C ATOM 166 O THR A 447 114.516 5.354 -12.687 1.00 0.00 O ATOM 167 CB THR A 447 113.888 6.812 -9.860 1.00 0.00 C ATOM 168 OG1 THR A 447 112.792 6.944 -10.774 1.00 0.00 O ATOM 169 CG2 THR A 447 114.145 8.166 -9.217 1.00 0.00 C ATOM 0 H THR A 447 115.269 7.780 -12.042 1.00 0.00 H new ATOM 0 HA THR A 447 115.858 5.928 -9.822 1.00 0.00 H new ATOM 0 HB THR A 447 113.633 6.080 -9.094 1.00 0.00 H new ATOM 0 HG1 THR A 447 112.004 7.274 -10.294 1.00 0.00 H new ATOM 0 HG21 THR A 447 113.237 8.512 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 447 114.946 8.074 -8.483 1.00 0.00 H new ATOM 0 HG23 THR A 447 114.436 8.884 -9.984 1.00 0.00 H new ATOM 177 N GLY A 448 114.710 3.940 -10.948 1.00 0.00 N ATOM 178 CA GLY A 448 114.346 2.782 -11.743 1.00 0.00 C ATOM 179 C GLY A 448 114.930 1.494 -11.196 1.00 0.00 C ATOM 180 O GLY A 448 114.339 0.862 -10.322 1.00 0.00 O ATOM 0 H GLY A 448 114.911 3.742 -9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 448 113.260 2.698 -11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 448 114.689 2.926 -12.767 1.00 0.00 H new ATOM 184 N PRO A 449 116.102 1.079 -11.699 1.00 0.00 N ATOM 185 CA PRO A 449 116.767 -0.150 -11.255 1.00 0.00 C ATOM 186 C PRO A 449 116.850 -0.250 -9.735 1.00 0.00 C ATOM 187 O PRO A 449 117.049 0.751 -9.046 1.00 0.00 O ATOM 188 CB PRO A 449 118.165 -0.029 -11.863 1.00 0.00 C ATOM 189 CG PRO A 449 117.972 0.809 -13.080 1.00 0.00 C ATOM 190 CD PRO A 449 116.870 1.779 -12.746 1.00 0.00 C ATOM 0 HA PRO A 449 116.226 -1.044 -11.566 1.00 0.00 H new ATOM 0 HB2 PRO A 449 118.862 0.437 -11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 449 118.574 -1.007 -12.116 1.00 0.00 H new ATOM 0 HG2 PRO A 449 118.890 1.336 -13.340 1.00 0.00 H new ATOM 0 HG3 PRO A 449 117.703 0.194 -13.939 1.00 0.00 H new ATOM 0 HD2 PRO A 449 117.266 2.729 -12.386 1.00 0.00 H new ATOM 0 HD3 PRO A 449 116.253 2.001 -13.617 1.00 0.00 H new ATOM 198 N GLN A 450 116.694 -1.465 -9.219 1.00 0.00 N ATOM 199 CA GLN A 450 116.751 -1.700 -7.781 1.00 0.00 C ATOM 200 C GLN A 450 115.736 -0.829 -7.046 1.00 0.00 C ATOM 201 O GLN A 450 116.084 -0.108 -6.110 1.00 0.00 O ATOM 202 CB GLN A 450 118.160 -1.424 -7.251 1.00 0.00 C ATOM 203 CG GLN A 450 118.866 -2.662 -6.724 1.00 0.00 C ATOM 204 CD GLN A 450 118.634 -2.879 -5.241 1.00 0.00 C ATOM 205 OE1 GLN A 450 119.090 -2.095 -4.408 1.00 0.00 O ATOM 206 NE2 GLN A 450 117.922 -3.948 -4.905 1.00 0.00 N ATOM 0 H GLN A 450 116.527 -2.303 -9.776 1.00 0.00 H new ATOM 0 HA GLN A 450 116.503 -2.746 -7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 450 118.760 -0.986 -8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 450 118.100 -0.683 -6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 450 118.518 -3.536 -7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 450 119.936 -2.573 -6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 450 117.564 -4.570 -5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 450 117.733 -4.147 -3.923 1.00 0.00 H new ATOM 215 N PHE A 451 114.480 -0.899 -7.478 1.00 0.00 N ATOM 216 CA PHE A 451 113.413 -0.117 -6.862 1.00 0.00 C ATOM 217 C PHE A 451 113.151 -0.579 -5.432 1.00 0.00 C ATOM 218 O PHE A 451 112.858 -1.751 -5.194 1.00 0.00 O ATOM 219 CB PHE A 451 112.129 -0.232 -7.684 1.00 0.00 C ATOM 220 CG PHE A 451 111.386 -1.517 -7.457 1.00 0.00 C ATOM 221 CD1 PHE A 451 111.568 -2.597 -8.307 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.504 -1.647 -6.396 1.00 0.00 C ATOM 223 CE1 PHE A 451 110.886 -3.782 -8.101 1.00 0.00 C ATOM 224 CE2 PHE A 451 109.820 -2.828 -6.185 1.00 0.00 C ATOM 225 CZ PHE A 451 110.010 -3.897 -7.039 1.00 0.00 C ATOM 0 H PHE A 451 114.176 -1.489 -8.252 1.00 0.00 H new ATOM 0 HA PHE A 451 113.733 0.925 -6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 451 111.475 0.605 -7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 451 112.375 -0.146 -8.742 1.00 0.00 H new ATOM 0 HD1 PHE A 451 112.250 -2.512 -9.140 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.350 -0.814 -5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 451 111.038 -4.617 -8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 451 109.137 -2.916 -5.353 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.475 -4.821 -6.877 1.00 0.00 H new ATOM 235 N VAL A 452 113.251 0.347 -4.484 1.00 0.00 N ATOM 236 CA VAL A 452 113.014 0.027 -3.081 1.00 0.00 C ATOM 237 C VAL A 452 111.574 -0.432 -2.874 1.00 0.00 C ATOM 238 O VAL A 452 110.639 0.364 -2.954 1.00 0.00 O ATOM 239 CB VAL A 452 113.308 1.237 -2.169 1.00 0.00 C ATOM 240 CG1 VAL A 452 112.187 2.263 -2.249 1.00 0.00 C ATOM 241 CG2 VAL A 452 113.524 0.783 -0.734 1.00 0.00 C ATOM 0 H VAL A 452 113.494 1.322 -4.661 1.00 0.00 H new ATOM 0 HA VAL A 452 113.694 -0.781 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 452 114.224 1.713 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 452 112.418 3.106 -1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 452 112.088 2.615 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 452 111.251 1.804 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 452 113.730 1.649 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 452 112.628 0.278 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 452 114.369 0.096 -0.693 1.00 0.00 H new ATOM 251 N SER A 453 111.397 -1.729 -2.627 1.00 0.00 N ATOM 252 CA SER A 453 110.062 -2.294 -2.430 1.00 0.00 C ATOM 253 C SER A 453 109.433 -1.907 -1.083 1.00 0.00 C ATOM 254 O SER A 453 108.463 -2.533 -0.659 1.00 0.00 O ATOM 255 CB SER A 453 110.122 -3.817 -2.551 1.00 0.00 C ATOM 256 OG SER A 453 110.044 -4.434 -1.278 1.00 0.00 O ATOM 0 H SER A 453 112.157 -2.406 -2.559 1.00 0.00 H new ATOM 0 HA SER A 453 109.425 -1.874 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 453 109.303 -4.167 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 453 111.049 -4.109 -3.044 1.00 0.00 H new ATOM 0 HG SER A 453 109.188 -4.209 -0.857 1.00 0.00 H new ATOM 262 N GLY A 454 109.959 -0.867 -0.429 1.00 0.00 N ATOM 263 CA GLY A 454 109.408 -0.419 0.844 1.00 0.00 C ATOM 264 C GLY A 454 108.782 -1.532 1.669 1.00 0.00 C ATOM 265 O GLY A 454 107.821 -1.298 2.399 1.00 0.00 O ATOM 0 H GLY A 454 110.758 -0.327 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.200 0.050 1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 454 108.656 0.347 0.654 1.00 0.00 H new ATOM 269 N VAL A 455 109.313 -2.744 1.547 1.00 0.00 N ATOM 270 CA VAL A 455 108.782 -3.889 2.283 1.00 0.00 C ATOM 271 C VAL A 455 107.261 -3.807 2.399 1.00 0.00 C ATOM 272 O VAL A 455 106.729 -3.157 3.299 1.00 0.00 O ATOM 273 CB VAL A 455 109.392 -3.995 3.697 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.814 -5.426 3.985 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.570 -3.045 3.854 1.00 0.00 C ATOM 0 H VAL A 455 110.109 -2.960 0.947 1.00 0.00 H new ATOM 0 HA VAL A 455 109.057 -4.779 1.717 1.00 0.00 H new ATOM 0 HB VAL A 455 108.630 -3.706 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 455 110.242 -5.485 4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.945 -6.081 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.558 -5.740 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 455 110.982 -3.139 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.338 -3.294 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.235 -2.020 3.694 1.00 0.00 H new ATOM 285 N ILE A 456 106.568 -4.467 1.475 1.00 0.00 N ATOM 286 CA ILE A 456 105.107 -4.472 1.457 1.00 0.00 C ATOM 287 C ILE A 456 104.530 -5.340 2.574 1.00 0.00 C ATOM 288 O ILE A 456 104.871 -6.518 2.699 1.00 0.00 O ATOM 289 CB ILE A 456 104.566 -4.975 0.106 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.149 -4.149 -1.040 1.00 0.00 C ATOM 291 CG2 ILE A 456 103.045 -4.915 0.089 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.564 -2.758 -1.140 1.00 0.00 C ATOM 0 H ILE A 456 106.997 -5.008 0.725 1.00 0.00 H new ATOM 0 HA ILE A 456 104.793 -3.440 1.612 1.00 0.00 H new ATOM 0 HB ILE A 456 104.871 -6.013 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 456 106.228 -4.072 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.978 -4.675 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.677 -5.274 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.647 -5.542 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.720 -3.886 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.024 -2.229 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.488 -2.826 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 456 104.758 -2.214 -0.215 1.00 0.00 H new ATOM 304 N VAL A 457 103.636 -4.756 3.368 1.00 0.00 N ATOM 305 CA VAL A 457 102.988 -5.475 4.458 1.00 0.00 C ATOM 306 C VAL A 457 101.498 -5.657 4.169 1.00 0.00 C ATOM 307 O VAL A 457 100.740 -4.687 4.135 1.00 0.00 O ATOM 308 CB VAL A 457 103.171 -4.746 5.807 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.132 -5.202 6.824 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.576 -4.974 6.342 1.00 0.00 C ATOM 0 H VAL A 457 103.344 -3.783 3.275 1.00 0.00 H new ATOM 0 HA VAL A 457 103.464 -6.453 4.531 1.00 0.00 H new ATOM 0 HB VAL A 457 103.028 -3.679 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.286 -4.672 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 457 101.133 -4.987 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 457 102.233 -6.274 6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.692 -4.455 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 457 104.741 -6.041 6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 457 105.304 -4.589 5.628 1.00 0.00 H new ATOM 320 N LYS A 458 101.083 -6.901 3.956 1.00 0.00 N ATOM 321 CA LYS A 458 99.685 -7.199 3.665 1.00 0.00 C ATOM 322 C LYS A 458 98.892 -7.436 4.948 1.00 0.00 C ATOM 323 O LYS A 458 99.132 -8.405 5.669 1.00 0.00 O ATOM 324 CB LYS A 458 99.581 -8.424 2.755 1.00 0.00 C ATOM 325 CG LYS A 458 98.160 -8.932 2.580 1.00 0.00 C ATOM 326 CD LYS A 458 98.036 -10.388 2.998 1.00 0.00 C ATOM 327 CE LYS A 458 96.624 -10.909 2.781 1.00 0.00 C ATOM 328 NZ LYS A 458 96.563 -12.394 2.869 1.00 0.00 N ATOM 0 H LYS A 458 101.693 -7.718 3.979 1.00 0.00 H new ATOM 0 HA LYS A 458 99.259 -6.336 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.992 -8.176 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.196 -9.225 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.478 -8.322 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.859 -8.824 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.740 -10.993 2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.306 -10.491 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 458 95.957 -10.473 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.264 -10.588 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.584 -12.711 2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 97.180 -12.810 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.882 -12.699 3.810 1.00 0.00 H new ATOM 342 N ILE A 459 97.932 -6.555 5.214 1.00 0.00 N ATOM 343 CA ILE A 459 97.086 -6.677 6.396 1.00 0.00 C ATOM 344 C ILE A 459 95.646 -6.997 6.010 1.00 0.00 C ATOM 345 O ILE A 459 95.010 -6.244 5.271 1.00 0.00 O ATOM 346 CB ILE A 459 97.099 -5.397 7.252 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.526 -5.058 7.688 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.197 -5.569 8.468 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.608 -3.858 8.606 1.00 0.00 C ATOM 0 H ILE A 459 97.721 -5.749 4.626 1.00 0.00 H new ATOM 0 HA ILE A 459 97.499 -7.496 6.985 1.00 0.00 H new ATOM 0 HB ILE A 459 96.719 -4.572 6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 459 98.958 -5.922 8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 459 99.133 -4.870 6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.214 -4.658 9.066 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.177 -5.768 8.139 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.554 -6.405 9.070 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.649 -3.676 8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 459 98.206 -2.982 8.097 1.00 0.00 H new ATOM 0 HD13 ILE A 459 98.028 -4.050 9.509 1.00 0.00 H new ATOM 361 N ILE A 460 95.133 -8.107 6.523 1.00 0.00 N ATOM 362 CA ILE A 460 93.762 -8.511 6.241 1.00 0.00 C ATOM 363 C ILE A 460 93.037 -8.900 7.528 1.00 0.00 C ATOM 364 O ILE A 460 93.596 -9.585 8.383 1.00 0.00 O ATOM 365 CB ILE A 460 93.708 -9.671 5.216 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.328 -9.740 4.560 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.063 -11.004 5.859 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.266 -10.357 5.442 1.00 0.00 C ATOM 0 H ILE A 460 95.644 -8.743 7.135 1.00 0.00 H new ATOM 0 HA ILE A 460 93.253 -7.654 5.799 1.00 0.00 H new ATOM 0 HB ILE A 460 94.453 -9.469 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 460 92.017 -8.733 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.402 -10.317 3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.014 -11.794 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.072 -10.953 6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.357 -11.221 6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.315 -10.372 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.554 -11.376 5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.163 -9.768 6.353 1.00 0.00 H new ATOM 380 N SER A 461 91.799 -8.441 7.672 1.00 0.00 N ATOM 381 CA SER A 461 91.010 -8.736 8.864 1.00 0.00 C ATOM 382 C SER A 461 89.718 -9.454 8.492 1.00 0.00 C ATOM 383 O SER A 461 89.570 -9.950 7.376 1.00 0.00 O ATOM 384 CB SER A 461 90.684 -7.447 9.620 1.00 0.00 C ATOM 385 OG SER A 461 89.394 -6.970 9.282 1.00 0.00 O ATOM 0 H SER A 461 91.320 -7.864 6.980 1.00 0.00 H new ATOM 0 HA SER A 461 91.601 -9.388 9.507 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.739 -7.628 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.429 -6.686 9.387 1.00 0.00 H new ATOM 0 HG SER A 461 89.319 -6.892 8.308 1.00 0.00 H new ATOM 391 N THR A 462 88.781 -9.501 9.434 1.00 0.00 N ATOM 392 CA THR A 462 87.498 -10.154 9.203 1.00 0.00 C ATOM 393 C THR A 462 86.344 -9.268 9.659 1.00 0.00 C ATOM 394 O THR A 462 85.195 -9.706 9.709 1.00 0.00 O ATOM 395 CB THR A 462 87.413 -11.507 9.932 1.00 0.00 C ATOM 396 OG1 THR A 462 87.994 -11.433 11.240 1.00 0.00 O ATOM 397 CG2 THR A 462 88.135 -12.590 9.147 1.00 0.00 C ATOM 0 H THR A 462 88.886 -9.095 10.364 1.00 0.00 H new ATOM 0 HA THR A 462 87.420 -10.327 8.130 1.00 0.00 H new ATOM 0 HB THR A 462 86.355 -11.754 10.020 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.924 -12.306 11.679 1.00 0.00 H new ATOM 0 HG21 THR A 462 88.062 -13.537 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 462 87.678 -12.692 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.184 -12.318 9.033 1.00 0.00 H new ATOM 405 N GLU A 463 86.660 -8.017 9.990 1.00 0.00 N ATOM 406 CA GLU A 463 85.657 -7.062 10.442 1.00 0.00 C ATOM 407 C GLU A 463 86.303 -5.959 11.274 1.00 0.00 C ATOM 408 O GLU A 463 86.060 -4.772 11.051 1.00 0.00 O ATOM 409 CB GLU A 463 84.577 -7.767 11.265 1.00 0.00 C ATOM 410 CG GLU A 463 83.305 -8.048 10.484 1.00 0.00 C ATOM 411 CD GLU A 463 82.380 -6.847 10.431 1.00 0.00 C ATOM 412 OE1 GLU A 463 81.152 -7.049 10.315 1.00 0.00 O ATOM 413 OE2 GLU A 463 82.883 -5.706 10.504 1.00 0.00 O ATOM 0 H GLU A 463 87.608 -7.643 9.952 1.00 0.00 H new ATOM 0 HA GLU A 463 85.195 -6.615 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.977 -8.708 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 463 84.333 -7.153 12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.564 -8.348 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 463 82.780 -8.887 10.940 1.00 0.00 H new ATOM 420 N PRO A 464 87.141 -6.345 12.245 1.00 0.00 N ATOM 421 CA PRO A 464 87.836 -5.398 13.121 1.00 0.00 C ATOM 422 C PRO A 464 88.441 -4.227 12.355 1.00 0.00 C ATOM 423 O PRO A 464 88.441 -3.094 12.836 1.00 0.00 O ATOM 424 CB PRO A 464 88.934 -6.252 13.748 1.00 0.00 C ATOM 425 CG PRO A 464 88.370 -7.630 13.774 1.00 0.00 C ATOM 426 CD PRO A 464 87.479 -7.744 12.564 1.00 0.00 C ATOM 0 HA PRO A 464 87.162 -4.939 13.844 1.00 0.00 H new ATOM 0 HB2 PRO A 464 89.852 -6.210 13.162 1.00 0.00 H new ATOM 0 HB3 PRO A 464 89.181 -5.906 14.752 1.00 0.00 H new ATOM 0 HG2 PRO A 464 89.164 -8.376 13.744 1.00 0.00 H new ATOM 0 HG3 PRO A 464 87.805 -7.802 14.690 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.991 -8.231 11.734 1.00 0.00 H new ATOM 0 HD3 PRO A 464 86.587 -8.333 12.778 1.00 0.00 H new ATOM 434 N LEU A 465 88.961 -4.503 11.162 1.00 0.00 N ATOM 435 CA LEU A 465 89.568 -3.463 10.342 1.00 0.00 C ATOM 436 C LEU A 465 88.747 -2.181 10.403 1.00 0.00 C ATOM 437 O LEU A 465 87.731 -2.043 9.721 1.00 0.00 O ATOM 438 CB LEU A 465 89.707 -3.933 8.893 1.00 0.00 C ATOM 439 CG LEU A 465 91.144 -3.975 8.367 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.351 -5.179 7.463 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.475 -2.689 7.629 1.00 0.00 C ATOM 0 H LEU A 465 88.974 -5.434 10.745 1.00 0.00 H new ATOM 0 HA LEU A 465 90.562 -3.256 10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.274 -4.929 8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 465 89.120 -3.273 8.254 1.00 0.00 H new ATOM 0 HG LEU A 465 91.819 -4.069 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.379 -5.189 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.155 -6.093 8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.668 -5.119 6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.500 -2.734 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.793 -2.566 6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.370 -1.843 8.308 1.00 0.00 H new ATOM 453 N PRO A 466 89.180 -1.231 11.241 1.00 0.00 N ATOM 454 CA PRO A 466 88.497 0.052 11.426 1.00 0.00 C ATOM 455 C PRO A 466 88.710 1.004 10.253 1.00 0.00 C ATOM 456 O PRO A 466 87.817 1.773 9.895 1.00 0.00 O ATOM 457 CB PRO A 466 89.137 0.629 12.700 1.00 0.00 C ATOM 458 CG PRO A 466 90.020 -0.451 13.245 1.00 0.00 C ATOM 459 CD PRO A 466 90.368 -1.336 12.087 1.00 0.00 C ATOM 0 HA PRO A 466 87.417 -0.079 11.497 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.713 1.527 12.475 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.375 0.913 13.425 1.00 0.00 H new ATOM 0 HG2 PRO A 466 90.918 -0.028 13.695 1.00 0.00 H new ATOM 0 HG3 PRO A 466 89.508 -1.015 14.025 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.265 -0.995 11.571 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.552 -2.363 12.402 1.00 0.00 H new ATOM 467 N GLY A 467 89.898 0.950 9.660 1.00 0.00 N ATOM 468 CA GLY A 467 90.207 1.816 8.537 1.00 0.00 C ATOM 469 C GLY A 467 91.696 2.061 8.392 1.00 0.00 C ATOM 470 O GLY A 467 92.495 1.535 9.166 1.00 0.00 O ATOM 0 H GLY A 467 90.652 0.322 9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.824 1.369 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.695 2.770 8.665 1.00 0.00 H new ATOM 474 N ARG A 468 92.072 2.872 7.409 1.00 0.00 N ATOM 475 CA ARG A 468 93.477 3.192 7.180 1.00 0.00 C ATOM 476 C ARG A 468 94.072 3.916 8.384 1.00 0.00 C ATOM 477 O ARG A 468 95.206 3.656 8.783 1.00 0.00 O ATOM 478 CB ARG A 468 93.629 4.051 5.925 1.00 0.00 C ATOM 479 CG ARG A 468 93.198 5.496 6.119 1.00 0.00 C ATOM 480 CD ARG A 468 93.635 6.371 4.954 1.00 0.00 C ATOM 481 NE ARG A 468 92.662 7.420 4.663 1.00 0.00 N ATOM 482 CZ ARG A 468 91.511 7.203 4.035 1.00 0.00 C ATOM 483 NH1 ARG A 468 91.192 5.980 3.633 1.00 0.00 N ATOM 484 NH2 ARG A 468 90.679 8.210 3.807 1.00 0.00 N ATOM 0 H ARG A 468 91.425 3.319 6.759 1.00 0.00 H new ATOM 0 HA ARG A 468 94.019 2.257 7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.671 4.031 5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 468 93.041 3.610 5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 468 92.114 5.542 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 468 93.624 5.882 7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 468 94.599 6.824 5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 468 93.776 5.752 4.068 1.00 0.00 H new ATOM 0 HE ARG A 468 92.878 8.372 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 468 91.831 5.204 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 468 90.308 5.816 3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 468 90.922 9.152 4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 468 89.796 8.043 3.325 1.00 0.00 H new ATOM 498 N LYS A 469 93.295 4.834 8.950 1.00 0.00 N ATOM 499 CA LYS A 469 93.734 5.614 10.103 1.00 0.00 C ATOM 500 C LYS A 469 94.023 4.721 11.306 1.00 0.00 C ATOM 501 O LYS A 469 95.024 4.904 11.998 1.00 0.00 O ATOM 502 CB LYS A 469 92.669 6.649 10.471 1.00 0.00 C ATOM 503 CG LYS A 469 91.492 6.064 11.235 1.00 0.00 C ATOM 504 CD LYS A 469 90.300 7.008 11.236 1.00 0.00 C ATOM 505 CE LYS A 469 89.001 6.265 11.502 1.00 0.00 C ATOM 506 NZ LYS A 469 87.820 7.170 11.442 1.00 0.00 N ATOM 0 H LYS A 469 92.353 5.057 8.627 1.00 0.00 H new ATOM 0 HA LYS A 469 94.659 6.122 9.829 1.00 0.00 H new ATOM 0 HB2 LYS A 469 93.129 7.433 11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.302 7.120 9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 469 91.203 5.113 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.792 5.855 12.262 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.443 7.776 11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 469 90.238 7.519 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 469 88.883 5.466 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 469 89.047 5.793 12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 86.955 6.624 11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 87.919 7.918 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 87.760 7.601 10.497 1.00 0.00 H new ATOM 520 N GLN A 470 93.138 3.763 11.558 1.00 0.00 N ATOM 521 CA GLN A 470 93.302 2.856 12.689 1.00 0.00 C ATOM 522 C GLN A 470 94.378 1.810 12.413 1.00 0.00 C ATOM 523 O GLN A 470 95.213 1.528 13.273 1.00 0.00 O ATOM 524 CB GLN A 470 91.977 2.165 13.010 1.00 0.00 C ATOM 525 CG GLN A 470 91.611 2.211 14.485 1.00 0.00 C ATOM 526 CD GLN A 470 92.468 1.288 15.329 1.00 0.00 C ATOM 527 OE1 GLN A 470 92.710 0.138 14.963 1.00 0.00 O ATOM 528 NE2 GLN A 470 92.932 1.791 16.468 1.00 0.00 N ATOM 0 H GLN A 470 92.303 3.594 10.997 1.00 0.00 H new ATOM 0 HA GLN A 470 93.617 3.450 13.547 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.182 2.635 12.432 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.032 1.125 12.690 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.717 3.233 14.850 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.563 1.937 14.604 1.00 0.00 H new ATOM 0 HE21 GLN A 470 92.706 2.750 16.732 1.00 0.00 H new ATOM 0 HE22 GLN A 470 93.514 1.218 17.079 1.00 0.00 H new ATOM 537 N VAL A 471 94.356 1.236 11.214 1.00 0.00 N ATOM 538 CA VAL A 471 95.337 0.223 10.844 1.00 0.00 C ATOM 539 C VAL A 471 96.737 0.821 10.768 1.00 0.00 C ATOM 540 O VAL A 471 97.701 0.243 11.277 1.00 0.00 O ATOM 541 CB VAL A 471 94.993 -0.424 9.488 1.00 0.00 C ATOM 542 CG1 VAL A 471 96.097 -1.377 9.057 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.656 -1.144 9.561 1.00 0.00 C ATOM 0 H VAL A 471 93.674 1.453 10.487 1.00 0.00 H new ATOM 0 HA VAL A 471 95.311 -0.543 11.619 1.00 0.00 H new ATOM 0 HB VAL A 471 94.912 0.365 8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.837 -1.825 8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 471 97.034 -0.828 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 471 96.212 -2.162 9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.432 -1.594 8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.704 -1.924 10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.873 -0.432 9.820 1.00 0.00 H new ATOM 553 N ARG A 472 96.838 1.990 10.139 1.00 0.00 N ATOM 554 CA ARG A 472 98.114 2.678 10.002 1.00 0.00 C ATOM 555 C ARG A 472 98.668 3.057 11.370 1.00 0.00 C ATOM 556 O ARG A 472 99.853 2.872 11.646 1.00 0.00 O ATOM 557 CB ARG A 472 97.956 3.926 9.130 1.00 0.00 C ATOM 558 CG ARG A 472 97.446 5.141 9.886 1.00 0.00 C ATOM 559 CD ARG A 472 97.545 6.398 9.038 1.00 0.00 C ATOM 560 NE ARG A 472 96.740 7.489 9.582 1.00 0.00 N ATOM 561 CZ ARG A 472 97.182 8.345 10.498 1.00 0.00 C ATOM 562 NH1 ARG A 472 98.418 8.237 10.967 1.00 0.00 N ATOM 563 NH2 ARG A 472 96.387 9.307 10.947 1.00 0.00 N ATOM 0 H ARG A 472 96.049 2.479 9.717 1.00 0.00 H new ATOM 0 HA ARG A 472 98.819 2.001 9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.919 4.168 8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.269 3.703 8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.409 4.980 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 472 98.022 5.271 10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 472 98.587 6.712 8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 472 97.217 6.177 8.022 1.00 0.00 H new ATOM 0 HE ARG A 472 95.786 7.600 9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 472 99.030 7.497 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 472 98.756 8.894 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 472 95.435 9.391 10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 472 96.727 9.963 11.650 1.00 0.00 H new ATOM 577 N ASP A 473 97.799 3.585 12.225 1.00 0.00 N ATOM 578 CA ASP A 473 98.195 3.985 13.568 1.00 0.00 C ATOM 579 C ASP A 473 98.652 2.774 14.369 1.00 0.00 C ATOM 580 O ASP A 473 99.659 2.824 15.074 1.00 0.00 O ATOM 581 CB ASP A 473 97.031 4.676 14.280 1.00 0.00 C ATOM 582 CG ASP A 473 97.388 5.103 15.690 1.00 0.00 C ATOM 583 OD1 ASP A 473 98.163 4.379 16.351 1.00 0.00 O ATOM 584 OD2 ASP A 473 96.896 6.162 16.133 1.00 0.00 O ATOM 0 H ASP A 473 96.815 3.746 12.010 1.00 0.00 H new ATOM 0 HA ASP A 473 99.026 4.686 13.489 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.724 5.550 13.705 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.176 4.000 14.313 1.00 0.00 H new ATOM 589 N THR A 474 97.905 1.680 14.249 1.00 0.00 N ATOM 590 CA THR A 474 98.236 0.450 14.953 1.00 0.00 C ATOM 591 C THR A 474 99.636 -0.020 14.583 1.00 0.00 C ATOM 592 O THR A 474 100.589 0.168 15.342 1.00 0.00 O ATOM 593 CB THR A 474 97.225 -0.668 14.633 1.00 0.00 C ATOM 594 OG1 THR A 474 96.535 -0.409 13.404 1.00 0.00 O ATOM 595 CG2 THR A 474 96.195 -0.802 15.743 1.00 0.00 C ATOM 0 H THR A 474 97.067 1.623 13.670 1.00 0.00 H new ATOM 0 HA THR A 474 98.195 0.666 16.021 1.00 0.00 H new ATOM 0 HB THR A 474 97.794 -1.593 14.542 1.00 0.00 H new ATOM 0 HG1 THR A 474 95.767 0.175 13.577 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.493 -1.597 15.494 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.698 -1.043 16.679 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.654 0.138 15.853 1.00 0.00 H new ATOM 603 N LEU A 475 99.757 -0.646 13.417 1.00 0.00 N ATOM 604 CA LEU A 475 101.048 -1.145 12.964 1.00 0.00 C ATOM 605 C LEU A 475 102.150 -0.133 13.255 1.00 0.00 C ATOM 606 O LEU A 475 103.254 -0.504 13.656 1.00 0.00 O ATOM 607 CB LEU A 475 101.011 -1.451 11.466 1.00 0.00 C ATOM 608 CG LEU A 475 100.668 -0.260 10.570 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.935 0.411 10.061 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.797 -0.705 9.405 1.00 0.00 C ATOM 0 H LEU A 475 98.984 -0.818 12.774 1.00 0.00 H new ATOM 0 HA LEU A 475 101.262 -2.065 13.509 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.983 -1.843 11.167 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.281 -2.241 11.290 1.00 0.00 H new ATOM 0 HG LEU A 475 100.110 0.465 11.162 1.00 0.00 H new ATOM 0 HD11 LEU A 475 101.669 1.256 9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 475 102.524 0.765 10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 475 102.520 -0.306 9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 475 99.562 0.155 8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 475 100.331 -1.450 8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.873 -1.139 9.787 1.00 0.00 H new ATOM 622 N ALA A 476 101.850 1.148 13.050 1.00 0.00 N ATOM 623 CA ALA A 476 102.829 2.200 13.291 1.00 0.00 C ATOM 624 C ALA A 476 103.137 2.336 14.778 1.00 0.00 C ATOM 625 O ALA A 476 104.225 2.769 15.157 1.00 0.00 O ATOM 626 CB ALA A 476 102.343 3.530 12.734 1.00 0.00 C ATOM 0 H ALA A 476 100.943 1.479 12.720 1.00 0.00 H new ATOM 0 HA ALA A 476 103.747 1.919 12.775 1.00 0.00 H new ATOM 0 HB1 ALA A 476 103.090 4.300 12.926 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.184 3.438 11.660 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.406 3.806 13.217 1.00 0.00 H new ATOM 632 N ALA A 477 102.180 1.958 15.618 1.00 0.00 N ATOM 633 CA ALA A 477 102.367 2.036 17.062 1.00 0.00 C ATOM 634 C ALA A 477 103.316 0.943 17.539 1.00 0.00 C ATOM 635 O ALA A 477 104.047 1.125 18.512 1.00 0.00 O ATOM 636 CB ALA A 477 101.034 1.933 17.787 1.00 0.00 C ATOM 0 H ALA A 477 101.272 1.597 15.326 1.00 0.00 H new ATOM 0 HA ALA A 477 102.809 3.005 17.294 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.199 1.994 18.863 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.385 2.750 17.473 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.561 0.981 17.546 1.00 0.00 H new ATOM 642 N ILE A 478 103.310 -0.185 16.835 1.00 0.00 N ATOM 643 CA ILE A 478 104.186 -1.303 17.175 1.00 0.00 C ATOM 644 C ILE A 478 105.579 -1.095 16.590 1.00 0.00 C ATOM 645 O ILE A 478 106.579 -1.518 17.169 1.00 0.00 O ATOM 646 CB ILE A 478 103.606 -2.645 16.675 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.469 -3.097 17.592 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.687 -3.717 16.602 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.096 -2.710 17.088 1.00 0.00 C ATOM 0 H ILE A 478 102.710 -0.350 16.027 1.00 0.00 H new ATOM 0 HA ILE A 478 104.257 -1.342 18.262 1.00 0.00 H new ATOM 0 HB ILE A 478 103.214 -2.495 15.669 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.513 -4.180 17.706 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.618 -2.666 18.582 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.250 -4.651 16.247 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.470 -3.398 15.914 1.00 0.00 H new ATOM 0 HG23 ILE A 478 105.115 -3.870 17.593 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.339 -3.063 17.788 1.00 0.00 H new ATOM 0 HD12 ILE A 478 101.033 -1.625 17.001 1.00 0.00 H new ATOM 0 HD13 ILE A 478 100.926 -3.163 16.111 1.00 0.00 H new ATOM 661 N SER A 479 105.629 -0.441 15.436 1.00 0.00 N ATOM 662 CA SER A 479 106.889 -0.172 14.756 1.00 0.00 C ATOM 663 C SER A 479 106.753 1.042 13.844 1.00 0.00 C ATOM 664 O SER A 479 105.655 1.373 13.399 1.00 0.00 O ATOM 665 CB SER A 479 107.321 -1.393 13.942 1.00 0.00 C ATOM 666 OG SER A 479 106.813 -1.328 12.620 1.00 0.00 O ATOM 0 H SER A 479 104.806 -0.085 14.949 1.00 0.00 H new ATOM 0 HA SER A 479 107.650 0.039 15.508 1.00 0.00 H new ATOM 0 HB2 SER A 479 108.409 -1.450 13.915 1.00 0.00 H new ATOM 0 HB3 SER A 479 106.966 -2.302 14.427 1.00 0.00 H new ATOM 0 HG SER A 479 107.104 -2.118 12.119 1.00 0.00 H new ATOM 672 N GLU A 480 107.871 1.707 13.571 1.00 0.00 N ATOM 673 CA GLU A 480 107.865 2.888 12.715 1.00 0.00 C ATOM 674 C GLU A 480 107.815 2.504 11.238 1.00 0.00 C ATOM 675 O GLU A 480 108.765 1.934 10.702 1.00 0.00 O ATOM 676 CB GLU A 480 109.100 3.748 12.989 1.00 0.00 C ATOM 677 CG GLU A 480 109.102 5.066 12.233 1.00 0.00 C ATOM 678 CD GLU A 480 110.429 5.793 12.331 1.00 0.00 C ATOM 679 OE1 GLU A 480 111.034 6.070 11.275 1.00 0.00 O ATOM 680 OE2 GLU A 480 110.863 6.087 13.466 1.00 0.00 O ATOM 0 H GLU A 480 108.791 1.449 13.929 1.00 0.00 H new ATOM 0 HA GLU A 480 106.968 3.463 12.947 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.161 3.952 14.058 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.993 3.183 12.721 1.00 0.00 H new ATOM 0 HG2 GLU A 480 108.871 4.879 11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 480 108.311 5.706 12.624 1.00 0.00 H new ATOM 687 N VAL A 481 106.700 2.827 10.587 1.00 0.00 N ATOM 688 CA VAL A 481 106.522 2.525 9.171 1.00 0.00 C ATOM 689 C VAL A 481 106.624 3.789 8.325 1.00 0.00 C ATOM 690 O VAL A 481 106.709 4.896 8.856 1.00 0.00 O ATOM 691 CB VAL A 481 105.163 1.852 8.902 1.00 0.00 C ATOM 692 CG1 VAL A 481 105.207 0.382 9.292 1.00 0.00 C ATOM 693 CG2 VAL A 481 104.052 2.576 9.648 1.00 0.00 C ATOM 0 H VAL A 481 105.906 3.299 11.019 1.00 0.00 H new ATOM 0 HA VAL A 481 107.320 1.836 8.894 1.00 0.00 H new ATOM 0 HB VAL A 481 104.953 1.914 7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 481 104.238 -0.076 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.974 -0.126 8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.440 0.294 10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 481 103.099 2.087 9.446 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.255 2.548 10.719 1.00 0.00 H new ATOM 0 HG23 VAL A 481 104.005 3.613 9.314 1.00 0.00 H new ATOM 703 N LEU A 482 106.618 3.617 7.008 1.00 0.00 N ATOM 704 CA LEU A 482 106.711 4.748 6.093 1.00 0.00 C ATOM 705 C LEU A 482 105.325 5.227 5.676 1.00 0.00 C ATOM 706 O LEU A 482 104.924 6.347 5.993 1.00 0.00 O ATOM 707 CB LEU A 482 107.527 4.364 4.856 1.00 0.00 C ATOM 708 CG LEU A 482 108.173 5.535 4.112 1.00 0.00 C ATOM 709 CD1 LEU A 482 107.113 6.512 3.629 1.00 0.00 C ATOM 710 CD2 LEU A 482 109.184 6.240 5.004 1.00 0.00 C ATOM 0 H LEU A 482 106.550 2.708 6.551 1.00 0.00 H new ATOM 0 HA LEU A 482 107.214 5.563 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.311 3.670 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.877 3.829 4.164 1.00 0.00 H new ATOM 0 HG LEU A 482 108.698 5.142 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 482 107.592 7.338 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 482 106.427 6.000 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 482 106.559 6.900 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 482 109.634 7.070 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 482 108.682 6.620 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 482 109.962 5.536 5.299 1.00 0.00 H new ATOM 722 N TYR A 483 104.600 4.377 4.956 1.00 0.00 N ATOM 723 CA TYR A 483 103.261 4.730 4.489 1.00 0.00 C ATOM 724 C TYR A 483 102.334 3.519 4.472 1.00 0.00 C ATOM 725 O TYR A 483 102.746 2.416 4.127 1.00 0.00 O ATOM 726 CB TYR A 483 103.340 5.344 3.091 1.00 0.00 C ATOM 727 CG TYR A 483 101.994 5.737 2.525 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.577 7.062 2.535 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.144 4.785 1.981 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.347 7.426 2.020 1.00 0.00 C ATOM 731 CE2 TYR A 483 99.913 5.140 1.463 1.00 0.00 C ATOM 732 CZ TYR A 483 99.520 6.460 1.485 1.00 0.00 C ATOM 733 OH TYR A 483 98.294 6.816 0.970 1.00 0.00 O ATOM 0 H TYR A 483 104.913 3.445 4.684 1.00 0.00 H new ATOM 0 HA TYR A 483 102.847 5.459 5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.981 6.225 3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.814 4.631 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 483 102.224 7.820 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.449 3.749 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 483 100.035 8.460 2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.263 4.387 1.043 1.00 0.00 H new ATOM 0 HH TYR A 483 97.837 6.018 0.632 1.00 0.00 H new ATOM 743 N VAL A 484 101.074 3.740 4.840 1.00 0.00 N ATOM 744 CA VAL A 484 100.082 2.670 4.860 1.00 0.00 C ATOM 745 C VAL A 484 98.998 2.911 3.812 1.00 0.00 C ATOM 746 O VAL A 484 98.222 3.860 3.916 1.00 0.00 O ATOM 747 CB VAL A 484 99.421 2.540 6.245 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.419 1.396 6.258 1.00 0.00 C ATOM 749 CG2 VAL A 484 100.478 2.344 7.321 1.00 0.00 C ATOM 0 H VAL A 484 100.717 4.651 5.128 1.00 0.00 H new ATOM 0 HA VAL A 484 100.609 1.744 4.631 1.00 0.00 H new ATOM 0 HB VAL A 484 98.882 3.463 6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.964 1.322 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 484 97.644 1.583 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 484 98.930 0.462 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 484 99.995 2.254 8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 484 101.046 1.437 7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 484 101.152 3.200 7.329 1.00 0.00 H new ATOM 759 N ASP A 485 98.953 2.048 2.801 1.00 0.00 N ATOM 760 CA ASP A 485 97.965 2.171 1.734 1.00 0.00 C ATOM 761 C ASP A 485 96.821 1.177 1.921 1.00 0.00 C ATOM 762 O ASP A 485 96.931 0.012 1.540 1.00 0.00 O ATOM 763 CB ASP A 485 98.627 1.951 0.373 1.00 0.00 C ATOM 764 CG ASP A 485 97.648 2.096 -0.776 1.00 0.00 C ATOM 765 OD1 ASP A 485 96.667 1.324 -0.821 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.862 2.981 -1.631 1.00 0.00 O ATOM 0 H ASP A 485 99.588 1.257 2.698 1.00 0.00 H new ATOM 0 HA ASP A 485 97.552 3.179 1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.439 2.667 0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 485 99.072 0.956 0.345 1.00 0.00 H new ATOM 771 N LEU A 486 95.722 1.645 2.502 1.00 0.00 N ATOM 772 CA LEU A 486 94.557 0.794 2.728 1.00 0.00 C ATOM 773 C LEU A 486 93.487 1.052 1.672 1.00 0.00 C ATOM 774 O LEU A 486 93.127 2.200 1.410 1.00 0.00 O ATOM 775 CB LEU A 486 93.972 1.036 4.122 1.00 0.00 C ATOM 776 CG LEU A 486 92.540 0.535 4.321 1.00 0.00 C ATOM 777 CD1 LEU A 486 91.541 1.570 3.830 1.00 0.00 C ATOM 778 CD2 LEU A 486 92.333 -0.790 3.601 1.00 0.00 C ATOM 0 H LEU A 486 95.612 2.606 2.825 1.00 0.00 H new ATOM 0 HA LEU A 486 94.883 -0.244 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.615 0.553 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.998 2.106 4.329 1.00 0.00 H new ATOM 0 HG LEU A 486 92.376 0.376 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 486 90.528 1.197 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 486 91.673 2.497 4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 486 91.705 1.760 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 486 91.309 -1.131 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 486 92.516 -0.657 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 486 93.026 -1.532 3.998 1.00 0.00 H new ATOM 790 N LEU A 487 92.983 -0.017 1.066 1.00 0.00 N ATOM 791 CA LEU A 487 91.955 0.107 0.040 1.00 0.00 C ATOM 792 C LEU A 487 90.720 0.813 0.593 1.00 0.00 C ATOM 793 O LEU A 487 89.975 0.248 1.394 1.00 0.00 O ATOM 794 CB LEU A 487 91.580 -1.270 -0.508 1.00 0.00 C ATOM 795 CG LEU A 487 92.424 -1.742 -1.692 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.264 -2.948 -1.302 1.00 0.00 C ATOM 797 CD2 LEU A 487 91.535 -2.070 -2.882 1.00 0.00 C ATOM 0 H LEU A 487 93.268 -0.976 1.266 1.00 0.00 H new ATOM 0 HA LEU A 487 92.357 0.709 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.667 -2.001 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 487 90.533 -1.252 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 487 93.098 -0.935 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 487 93.858 -3.270 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 487 93.928 -2.679 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 487 92.609 -3.761 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 487 92.152 -2.404 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 487 90.837 -2.861 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 487 90.978 -1.180 -3.176 1.00 0.00 H new ATOM 809 N GLU A 488 90.515 2.053 0.162 1.00 0.00 N ATOM 810 CA GLU A 488 89.377 2.846 0.613 1.00 0.00 C ATOM 811 C GLU A 488 88.086 2.035 0.577 1.00 0.00 C ATOM 812 O GLU A 488 87.690 1.524 -0.471 1.00 0.00 O ATOM 813 CB GLU A 488 89.228 4.097 -0.256 1.00 0.00 C ATOM 814 CG GLU A 488 88.952 3.792 -1.720 1.00 0.00 C ATOM 815 CD GLU A 488 89.371 4.922 -2.638 1.00 0.00 C ATOM 816 OE1 GLU A 488 89.774 4.636 -3.784 1.00 0.00 O ATOM 817 OE2 GLU A 488 89.293 6.094 -2.212 1.00 0.00 O ATOM 0 H GLU A 488 91.124 2.532 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 488 89.565 3.142 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 488 88.416 4.709 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 488 90.139 4.691 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 488 89.481 2.882 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 488 87.888 3.596 -1.853 1.00 0.00 H new ATOM 824 N GLY A 489 87.430 1.929 1.728 1.00 0.00 N ATOM 825 CA GLY A 489 86.185 1.187 1.809 1.00 0.00 C ATOM 826 C GLY A 489 86.382 -0.310 1.674 1.00 0.00 C ATOM 827 O GLY A 489 85.418 -1.052 1.481 1.00 0.00 O ATOM 0 H GLY A 489 87.739 2.344 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.702 1.400 2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.510 1.532 1.025 1.00 0.00 H new ATOM 831 N ASP A 490 87.629 -0.756 1.773 1.00 0.00 N ATOM 832 CA ASP A 490 87.941 -2.175 1.660 1.00 0.00 C ATOM 833 C ASP A 490 88.463 -2.731 2.981 1.00 0.00 C ATOM 834 O ASP A 490 88.815 -1.978 3.889 1.00 0.00 O ATOM 835 CB ASP A 490 88.972 -2.406 0.554 1.00 0.00 C ATOM 836 CG ASP A 490 88.843 -3.778 -0.078 1.00 0.00 C ATOM 837 OD1 ASP A 490 88.119 -4.625 0.487 1.00 0.00 O ATOM 838 OD2 ASP A 490 89.465 -4.005 -1.136 1.00 0.00 O ATOM 0 H ASP A 490 88.439 -0.156 1.931 1.00 0.00 H new ATOM 0 HA ASP A 490 87.020 -2.701 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 490 88.854 -1.642 -0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.975 -2.291 0.966 1.00 0.00 H new ATOM 843 N THR A 491 88.507 -4.056 3.080 1.00 0.00 N ATOM 844 CA THR A 491 88.981 -4.721 4.287 1.00 0.00 C ATOM 845 C THR A 491 90.412 -5.223 4.115 1.00 0.00 C ATOM 846 O THR A 491 90.903 -6.012 4.921 1.00 0.00 O ATOM 847 CB THR A 491 88.077 -5.908 4.669 1.00 0.00 C ATOM 848 OG1 THR A 491 88.374 -7.065 3.878 1.00 0.00 O ATOM 849 CG2 THR A 491 86.609 -5.556 4.475 1.00 0.00 C ATOM 0 H THR A 491 88.219 -4.691 2.336 1.00 0.00 H new ATOM 0 HA THR A 491 88.952 -3.980 5.086 1.00 0.00 H new ATOM 0 HB THR A 491 88.270 -6.128 5.719 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.786 -7.803 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 491 85.990 -6.410 4.751 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.353 -4.704 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.431 -5.302 3.430 1.00 0.00 H new ATOM 857 N GLU A 492 91.071 -4.766 3.057 1.00 0.00 N ATOM 858 CA GLU A 492 92.444 -5.170 2.778 1.00 0.00 C ATOM 859 C GLU A 492 93.359 -3.954 2.676 1.00 0.00 C ATOM 860 O GLU A 492 93.183 -3.101 1.803 1.00 0.00 O ATOM 861 CB GLU A 492 92.518 -5.983 1.480 1.00 0.00 C ATOM 862 CG GLU A 492 91.197 -6.613 1.060 1.00 0.00 C ATOM 863 CD GLU A 492 91.058 -6.718 -0.446 1.00 0.00 C ATOM 864 OE1 GLU A 492 89.970 -6.391 -0.966 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.037 -7.126 -1.106 1.00 0.00 O ATOM 0 H GLU A 492 90.677 -4.115 2.378 1.00 0.00 H new ATOM 0 HA GLU A 492 92.780 -5.794 3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 492 92.869 -5.334 0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.261 -6.771 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.116 -7.607 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 492 90.373 -6.021 1.458 1.00 0.00 H new ATOM 872 N CYS A 493 94.339 -3.877 3.571 1.00 0.00 N ATOM 873 CA CYS A 493 95.279 -2.765 3.575 1.00 0.00 C ATOM 874 C CYS A 493 96.711 -3.262 3.427 1.00 0.00 C ATOM 875 O CYS A 493 97.088 -4.286 3.996 1.00 0.00 O ATOM 876 CB CYS A 493 95.140 -1.952 4.864 1.00 0.00 C ATOM 877 SG CYS A 493 96.577 -0.925 5.253 1.00 0.00 S ATOM 0 H CYS A 493 94.501 -4.571 4.301 1.00 0.00 H new ATOM 0 HA CYS A 493 95.045 -2.125 2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 493 94.261 -1.312 4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.961 -2.636 5.694 1.00 0.00 H new ATOM 0 HG CYS A 493 96.454 -0.443 6.454 1.00 0.00 H new ATOM 883 N HIS A 494 97.508 -2.521 2.668 1.00 0.00 N ATOM 884 CA HIS A 494 98.905 -2.870 2.450 1.00 0.00 C ATOM 885 C HIS A 494 99.799 -1.673 2.751 1.00 0.00 C ATOM 886 O HIS A 494 99.798 -0.685 2.016 1.00 0.00 O ATOM 887 CB HIS A 494 99.120 -3.349 1.014 1.00 0.00 C ATOM 888 CG HIS A 494 98.423 -4.638 0.710 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.062 -4.808 0.852 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.905 -5.828 0.279 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.737 -6.046 0.521 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.838 -6.685 0.169 1.00 0.00 N ATOM 0 H HIS A 494 97.208 -1.671 2.191 1.00 0.00 H new ATOM 0 HA HIS A 494 99.170 -3.683 3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 494 98.766 -2.582 0.325 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.188 -3.470 0.835 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.937 -6.060 0.062 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.741 -6.464 0.536 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.888 -7.657 -0.135 1.00 0.00 H new ATOM 901 N ALA A 495 100.548 -1.757 3.846 1.00 0.00 N ATOM 902 CA ALA A 495 101.426 -0.667 4.248 1.00 0.00 C ATOM 903 C ALA A 495 102.883 -0.950 3.903 1.00 0.00 C ATOM 904 O ALA A 495 103.398 -2.037 4.160 1.00 0.00 O ATOM 905 CB ALA A 495 101.292 -0.385 5.736 1.00 0.00 C ATOM 0 H ALA A 495 100.564 -2.566 4.468 1.00 0.00 H new ATOM 0 HA ALA A 495 101.114 0.214 3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 495 101.957 0.433 6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.262 -0.108 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.560 -1.278 6.301 1.00 0.00 H new ATOM 911 N ARG A 496 103.544 0.053 3.337 1.00 0.00 N ATOM 912 CA ARG A 496 104.947 -0.055 2.972 1.00 0.00 C ATOM 913 C ARG A 496 105.827 0.313 4.161 1.00 0.00 C ATOM 914 O ARG A 496 105.634 1.355 4.790 1.00 0.00 O ATOM 915 CB ARG A 496 105.259 0.858 1.786 1.00 0.00 C ATOM 916 CG ARG A 496 104.940 0.235 0.437 1.00 0.00 C ATOM 917 CD ARG A 496 104.588 1.291 -0.597 1.00 0.00 C ATOM 918 NE ARG A 496 105.351 2.520 -0.410 1.00 0.00 N ATOM 919 CZ ARG A 496 105.142 3.630 -1.112 1.00 0.00 C ATOM 920 NH1 ARG A 496 104.202 3.656 -2.047 1.00 0.00 N ATOM 921 NH2 ARG A 496 105.872 4.713 -0.881 1.00 0.00 N ATOM 0 H ARG A 496 103.124 0.957 3.120 1.00 0.00 H new ATOM 0 HA ARG A 496 105.154 -1.086 2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 496 104.693 1.783 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 496 106.315 1.126 1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 496 105.797 -0.343 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 496 104.108 -0.461 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 496 104.776 0.897 -1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.523 1.514 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 496 106.085 2.529 0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 496 103.639 2.825 -2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 496 104.042 4.507 -2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 496 106.596 4.696 -0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 496 105.709 5.563 -1.421 1.00 0.00 H new ATOM 935 N PHE A 497 106.794 -0.543 4.458 1.00 0.00 N ATOM 936 CA PHE A 497 107.708 -0.311 5.567 1.00 0.00 C ATOM 937 C PHE A 497 109.040 0.224 5.061 1.00 0.00 C ATOM 938 O PHE A 497 109.489 -0.134 3.972 1.00 0.00 O ATOM 939 CB PHE A 497 107.924 -1.604 6.355 1.00 0.00 C ATOM 940 CG PHE A 497 106.735 -2.011 7.174 1.00 0.00 C ATOM 941 CD1 PHE A 497 106.888 -2.412 8.492 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.463 -1.993 6.627 1.00 0.00 C ATOM 943 CE1 PHE A 497 105.793 -2.786 9.248 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.366 -2.365 7.376 1.00 0.00 C ATOM 945 CZ PHE A 497 104.529 -2.763 8.689 1.00 0.00 C ATOM 0 H PHE A 497 106.966 -1.407 3.945 1.00 0.00 H new ATOM 0 HA PHE A 497 107.265 0.434 6.228 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.169 -2.407 5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.784 -1.480 7.014 1.00 0.00 H new ATOM 0 HD1 PHE A 497 107.874 -2.432 8.933 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.328 -1.684 5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 497 105.925 -3.096 10.274 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.380 -2.345 6.936 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.671 -3.055 9.277 1.00 0.00 H new ATOM 955 N LYS A 498 109.672 1.083 5.853 1.00 0.00 N ATOM 956 CA LYS A 498 110.953 1.660 5.474 1.00 0.00 C ATOM 957 C LYS A 498 112.070 0.635 5.633 1.00 0.00 C ATOM 958 O LYS A 498 113.142 0.769 5.044 1.00 0.00 O ATOM 959 CB LYS A 498 111.249 2.904 6.316 1.00 0.00 C ATOM 960 CG LYS A 498 111.943 2.602 7.635 1.00 0.00 C ATOM 961 CD LYS A 498 113.369 3.127 7.643 1.00 0.00 C ATOM 962 CE LYS A 498 113.644 3.972 8.875 1.00 0.00 C ATOM 963 NZ LYS A 498 114.463 3.239 9.879 1.00 0.00 N ATOM 0 H LYS A 498 109.318 1.393 6.758 1.00 0.00 H new ATOM 0 HA LYS A 498 110.901 1.954 4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 498 111.872 3.584 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 498 110.313 3.425 6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 498 111.383 3.053 8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 498 111.949 1.526 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 498 114.066 2.290 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 498 113.544 3.721 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 498 114.162 4.885 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 498 112.699 4.273 9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 114.629 3.850 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 113.958 2.381 10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 115.375 2.974 9.456 1.00 0.00 H new ATOM 977 N THR A 499 111.804 -0.395 6.428 1.00 0.00 N ATOM 978 CA THR A 499 112.775 -1.451 6.662 1.00 0.00 C ATOM 979 C THR A 499 112.089 -2.809 6.741 1.00 0.00 C ATOM 980 O THR A 499 110.934 -2.910 7.153 1.00 0.00 O ATOM 981 CB THR A 499 113.566 -1.220 7.961 1.00 0.00 C ATOM 982 OG1 THR A 499 112.862 -0.347 8.853 1.00 0.00 O ATOM 983 CG2 THR A 499 114.928 -0.611 7.666 1.00 0.00 C ATOM 0 H THR A 499 110.920 -0.519 6.922 1.00 0.00 H new ATOM 0 HA THR A 499 113.467 -1.434 5.820 1.00 0.00 H new ATOM 0 HB THR A 499 113.691 -2.195 8.433 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.388 -0.220 9.670 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.468 -0.457 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.497 -1.285 7.025 1.00 0.00 H new ATOM 0 HG23 THR A 499 114.797 0.346 7.161 1.00 0.00 H new ATOM 991 N PRO A 500 112.798 -3.872 6.344 1.00 0.00 N ATOM 992 CA PRO A 500 112.262 -5.234 6.366 1.00 0.00 C ATOM 993 C PRO A 500 112.209 -5.812 7.775 1.00 0.00 C ATOM 994 O PRO A 500 111.267 -6.520 8.131 1.00 0.00 O ATOM 995 CB PRO A 500 113.263 -6.006 5.510 1.00 0.00 C ATOM 996 CG PRO A 500 114.549 -5.280 5.697 1.00 0.00 C ATOM 997 CD PRO A 500 114.182 -3.827 5.839 1.00 0.00 C ATOM 0 HA PRO A 500 111.235 -5.281 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.343 -7.044 5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 500 112.963 -6.019 4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.076 -5.639 6.581 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.213 -5.434 4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 500 114.846 -3.311 6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.245 -3.302 4.886 1.00 0.00 H new ATOM 1005 N GLU A 501 113.229 -5.509 8.569 1.00 0.00 N ATOM 1006 CA GLU A 501 113.304 -6.000 9.940 1.00 0.00 C ATOM 1007 C GLU A 501 112.130 -5.493 10.772 1.00 0.00 C ATOM 1008 O GLU A 501 111.577 -6.227 11.591 1.00 0.00 O ATOM 1009 CB GLU A 501 114.623 -5.574 10.586 1.00 0.00 C ATOM 1010 CG GLU A 501 115.029 -4.146 10.261 1.00 0.00 C ATOM 1011 CD GLU A 501 115.744 -3.469 11.415 1.00 0.00 C ATOM 1012 OE1 GLU A 501 116.993 -3.458 11.414 1.00 0.00 O ATOM 1013 OE2 GLU A 501 115.055 -2.951 12.319 1.00 0.00 O ATOM 0 H GLU A 501 114.016 -4.925 8.287 1.00 0.00 H new ATOM 0 HA GLU A 501 113.256 -7.088 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.539 -5.681 11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.413 -6.250 10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.678 -4.147 9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 501 114.141 -3.570 9.999 1.00 0.00 H new ATOM 1020 N ASP A 502 111.755 -4.235 10.559 1.00 0.00 N ATOM 1021 CA ASP A 502 110.648 -3.637 11.296 1.00 0.00 C ATOM 1022 C ASP A 502 109.336 -4.351 10.990 1.00 0.00 C ATOM 1023 O ASP A 502 108.483 -4.504 11.864 1.00 0.00 O ATOM 1024 CB ASP A 502 110.525 -2.150 10.959 1.00 0.00 C ATOM 1025 CG ASP A 502 110.864 -1.260 12.140 1.00 0.00 C ATOM 1026 OD1 ASP A 502 110.979 -0.032 11.945 1.00 0.00 O ATOM 1027 OD2 ASP A 502 111.016 -1.793 13.260 1.00 0.00 O ATOM 0 H ASP A 502 112.200 -3.612 9.885 1.00 0.00 H new ATOM 0 HA ASP A 502 110.857 -3.745 12.360 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.188 -1.913 10.127 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.508 -1.938 10.628 1.00 0.00 H new ATOM 1032 N ALA A 503 109.179 -4.790 9.744 1.00 0.00 N ATOM 1033 CA ALA A 503 107.968 -5.490 9.329 1.00 0.00 C ATOM 1034 C ALA A 503 107.851 -6.839 10.029 1.00 0.00 C ATOM 1035 O ALA A 503 106.774 -7.222 10.483 1.00 0.00 O ATOM 1036 CB ALA A 503 107.937 -5.676 7.820 1.00 0.00 C ATOM 0 H ALA A 503 109.874 -4.674 9.006 1.00 0.00 H new ATOM 0 HA ALA A 503 107.115 -4.876 9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.024 -6.200 7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.962 -4.701 7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.803 -6.260 7.508 1.00 0.00 H new ATOM 1042 N GLN A 504 108.968 -7.554 10.114 1.00 0.00 N ATOM 1043 CA GLN A 504 108.990 -8.860 10.761 1.00 0.00 C ATOM 1044 C GLN A 504 108.629 -8.740 12.240 1.00 0.00 C ATOM 1045 O GLN A 504 107.908 -9.574 12.786 1.00 0.00 O ATOM 1046 CB GLN A 504 110.372 -9.501 10.613 1.00 0.00 C ATOM 1047 CG GLN A 504 110.323 -10.999 10.365 1.00 0.00 C ATOM 1048 CD GLN A 504 111.589 -11.525 9.716 1.00 0.00 C ATOM 1049 OE1 GLN A 504 112.696 -11.115 10.065 1.00 0.00 O ATOM 1050 NE2 GLN A 504 111.431 -12.439 8.766 1.00 0.00 N ATOM 0 H GLN A 504 109.869 -7.251 9.743 1.00 0.00 H new ATOM 0 HA GLN A 504 108.248 -9.493 10.274 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.899 -9.022 9.788 1.00 0.00 H new ATOM 0 HB3 GLN A 504 110.951 -9.309 11.516 1.00 0.00 H new ATOM 0 HG2 GLN A 504 110.163 -11.515 11.312 1.00 0.00 H new ATOM 0 HG3 GLN A 504 109.469 -11.230 9.728 1.00 0.00 H new ATOM 0 HE21 GLN A 504 110.494 -12.750 8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 504 112.246 -12.830 8.294 1.00 0.00 H new ATOM 1059 N ALA A 505 109.154 -7.705 12.886 1.00 0.00 N ATOM 1060 CA ALA A 505 108.903 -7.480 14.304 1.00 0.00 C ATOM 1061 C ALA A 505 107.437 -7.146 14.585 1.00 0.00 C ATOM 1062 O ALA A 505 106.870 -7.610 15.574 1.00 0.00 O ATOM 1063 CB ALA A 505 109.799 -6.371 14.835 1.00 0.00 C ATOM 0 H ALA A 505 109.757 -7.008 12.449 1.00 0.00 H new ATOM 0 HA ALA A 505 109.135 -8.411 14.821 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.598 -6.217 15.895 1.00 0.00 H new ATOM 0 HB2 ALA A 505 110.844 -6.652 14.701 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.598 -5.449 14.290 1.00 0.00 H new ATOM 1069 N VAL A 506 106.830 -6.329 13.726 1.00 0.00 N ATOM 1070 CA VAL A 506 105.435 -5.931 13.913 1.00 0.00 C ATOM 1071 C VAL A 506 104.475 -7.099 13.707 1.00 0.00 C ATOM 1072 O VAL A 506 103.531 -7.279 14.476 1.00 0.00 O ATOM 1073 CB VAL A 506 105.044 -4.785 12.960 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.187 -5.218 11.509 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.628 -4.309 13.246 1.00 0.00 C ATOM 0 H VAL A 506 107.277 -5.932 12.900 1.00 0.00 H new ATOM 0 HA VAL A 506 105.352 -5.587 14.944 1.00 0.00 H new ATOM 0 HB VAL A 506 105.724 -3.951 13.132 1.00 0.00 H new ATOM 0 HG11 VAL A 506 104.906 -4.394 10.854 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.222 -5.500 11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 506 104.536 -6.071 11.318 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.371 -3.500 12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 506 102.931 -5.136 13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.565 -3.950 14.273 1.00 0.00 H new ATOM 1085 N ILE A 507 104.716 -7.890 12.666 1.00 0.00 N ATOM 1086 CA ILE A 507 103.861 -9.036 12.372 1.00 0.00 C ATOM 1087 C ILE A 507 103.971 -10.098 13.459 1.00 0.00 C ATOM 1088 O ILE A 507 102.987 -10.749 13.807 1.00 0.00 O ATOM 1089 CB ILE A 507 104.195 -9.673 11.008 1.00 0.00 C ATOM 1090 CG1 ILE A 507 105.709 -9.792 10.820 1.00 0.00 C ATOM 1091 CG2 ILE A 507 103.577 -8.865 9.877 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.196 -11.222 10.751 1.00 0.00 C ATOM 0 H ILE A 507 105.491 -7.760 12.015 1.00 0.00 H new ATOM 0 HA ILE A 507 102.840 -8.656 12.337 1.00 0.00 H new ATOM 0 HB ILE A 507 103.770 -10.677 10.987 1.00 0.00 H new ATOM 0 HG12 ILE A 507 105.996 -9.274 9.905 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.211 -9.285 11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 507 103.823 -9.329 8.922 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.494 -8.837 9.999 1.00 0.00 H new ATOM 0 HG23 ILE A 507 103.970 -7.849 9.899 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.278 -11.232 10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.940 -11.739 11.676 1.00 0.00 H new ATOM 0 HD13 ILE A 507 105.722 -11.728 9.910 1.00 0.00 H new ATOM 1104 N ASN A 508 105.171 -10.255 14.004 1.00 0.00 N ATOM 1105 CA ASN A 508 105.399 -11.225 15.067 1.00 0.00 C ATOM 1106 C ASN A 508 104.725 -10.766 16.355 1.00 0.00 C ATOM 1107 O ASN A 508 104.132 -11.563 17.082 1.00 0.00 O ATOM 1108 CB ASN A 508 106.898 -11.418 15.302 1.00 0.00 C ATOM 1109 CG ASN A 508 107.589 -12.079 14.125 1.00 0.00 C ATOM 1110 OD1 ASN A 508 106.976 -12.843 13.380 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.873 -11.787 13.954 1.00 0.00 N ATOM 0 H ASN A 508 105.998 -9.725 13.729 1.00 0.00 H new ATOM 0 HA ASN A 508 104.967 -12.178 14.762 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.360 -10.450 15.494 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.048 -12.025 16.195 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.392 -12.202 13.180 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.341 -11.148 14.597 1.00 0.00 H new ATOM 1118 N ALA A 509 104.823 -9.468 16.623 1.00 0.00 N ATOM 1119 CA ALA A 509 104.231 -8.871 17.815 1.00 0.00 C ATOM 1120 C ALA A 509 102.722 -8.717 17.675 1.00 0.00 C ATOM 1121 O ALA A 509 102.002 -8.617 18.668 1.00 0.00 O ATOM 1122 CB ALA A 509 104.859 -7.518 18.109 1.00 0.00 C ATOM 0 H ALA A 509 105.312 -8.803 16.024 1.00 0.00 H new ATOM 0 HA ALA A 509 104.430 -9.547 18.647 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.402 -7.091 19.002 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.930 -7.642 18.273 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.696 -6.850 17.263 1.00 0.00 H new ATOM 1128 N TYR A 510 102.254 -8.666 16.434 1.00 0.00 N ATOM 1129 CA TYR A 510 100.834 -8.485 16.162 1.00 0.00 C ATOM 1130 C TYR A 510 99.980 -9.608 16.733 1.00 0.00 C ATOM 1131 O TYR A 510 98.752 -9.510 16.739 1.00 0.00 O ATOM 1132 CB TYR A 510 100.586 -8.367 14.665 1.00 0.00 C ATOM 1133 CG TYR A 510 100.053 -7.014 14.268 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.064 -6.887 13.301 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.534 -5.860 14.874 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.569 -5.647 12.947 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.046 -4.616 14.524 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.063 -4.515 13.561 1.00 0.00 C ATOM 1139 OH TYR A 510 98.571 -3.279 13.215 1.00 0.00 O ATOM 0 H TYR A 510 102.837 -8.747 15.601 1.00 0.00 H new ATOM 0 HA TYR A 510 100.539 -7.561 16.659 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.517 -8.557 14.131 1.00 0.00 H new ATOM 0 HB3 TYR A 510 99.878 -9.136 14.356 1.00 0.00 H new ATOM 0 HD1 TYR A 510 98.676 -7.772 12.818 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.301 -5.937 15.630 1.00 0.00 H new ATOM 0 HE1 TYR A 510 97.800 -5.564 12.194 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.432 -3.727 15.001 1.00 0.00 H new ATOM 0 HH TYR A 510 97.592 -3.312 13.188 1.00 0.00 H new ATOM 1149 N THR A 511 100.610 -10.664 17.229 1.00 0.00 N ATOM 1150 CA THR A 511 99.857 -11.762 17.808 1.00 0.00 C ATOM 1151 C THR A 511 98.906 -11.218 18.866 1.00 0.00 C ATOM 1152 O THR A 511 97.790 -11.709 19.036 1.00 0.00 O ATOM 1153 CB THR A 511 100.781 -12.818 18.446 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.566 -12.258 19.506 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.724 -13.409 17.408 1.00 0.00 C ATOM 0 H THR A 511 101.623 -10.781 17.242 1.00 0.00 H new ATOM 0 HA THR A 511 99.299 -12.246 17.006 1.00 0.00 H new ATOM 0 HB THR A 511 100.136 -13.598 18.850 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.140 -12.953 19.891 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.366 -14.152 17.881 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.143 -13.883 16.617 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.339 -12.616 16.982 1.00 0.00 H new ATOM 1163 N GLU A 512 99.375 -10.201 19.579 1.00 0.00 N ATOM 1164 CA GLU A 512 98.592 -9.571 20.637 1.00 0.00 C ATOM 1165 C GLU A 512 97.228 -9.120 20.125 1.00 0.00 C ATOM 1166 O GLU A 512 96.220 -9.264 20.815 1.00 0.00 O ATOM 1167 CB GLU A 512 99.349 -8.376 21.220 1.00 0.00 C ATOM 1168 CG GLU A 512 99.195 -7.101 20.406 1.00 0.00 C ATOM 1169 CD GLU A 512 99.694 -5.873 21.142 1.00 0.00 C ATOM 1170 OE1 GLU A 512 100.179 -6.021 22.284 1.00 0.00 O ATOM 1171 OE2 GLU A 512 99.599 -4.763 20.578 1.00 0.00 O ATOM 0 H GLU A 512 100.300 -9.792 19.443 1.00 0.00 H new ATOM 0 HA GLU A 512 98.434 -10.313 21.419 1.00 0.00 H new ATOM 0 HB2 GLU A 512 98.996 -8.194 22.235 1.00 0.00 H new ATOM 0 HB3 GLU A 512 100.408 -8.626 21.290 1.00 0.00 H new ATOM 0 HG2 GLU A 512 99.742 -7.205 19.469 1.00 0.00 H new ATOM 0 HG3 GLU A 512 98.145 -6.964 20.149 1.00 0.00 H new ATOM 1178 N ILE A 513 97.198 -8.569 18.915 1.00 0.00 N ATOM 1179 CA ILE A 513 95.947 -8.100 18.335 1.00 0.00 C ATOM 1180 C ILE A 513 94.839 -9.128 18.527 1.00 0.00 C ATOM 1181 O ILE A 513 93.729 -8.787 18.934 1.00 0.00 O ATOM 1182 CB ILE A 513 96.093 -7.795 16.831 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.252 -6.824 16.596 1.00 0.00 C ATOM 1184 CG2 ILE A 513 94.794 -7.223 16.276 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.173 -5.572 17.442 1.00 0.00 C ATOM 0 H ILE A 513 98.018 -8.438 18.323 1.00 0.00 H new ATOM 0 HA ILE A 513 95.686 -7.179 18.856 1.00 0.00 H new ATOM 0 HB ILE A 513 96.310 -8.725 16.306 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.192 -7.335 16.805 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.270 -6.541 15.544 1.00 0.00 H new ATOM 0 HG21 ILE A 513 94.914 -7.013 15.213 1.00 0.00 H new ATOM 0 HG22 ILE A 513 93.990 -7.945 16.415 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.548 -6.301 16.803 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.026 -4.930 17.223 1.00 0.00 H new ATOM 0 HD12 ILE A 513 96.250 -5.038 17.216 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.186 -5.845 18.497 1.00 0.00 H new ATOM 1197 N ASN A 514 95.143 -10.390 18.234 1.00 0.00 N ATOM 1198 CA ASN A 514 94.164 -11.460 18.376 1.00 0.00 C ATOM 1199 C ASN A 514 93.473 -11.391 19.734 1.00 0.00 C ATOM 1200 O ASN A 514 92.298 -11.737 19.860 1.00 0.00 O ATOM 1201 CB ASN A 514 94.842 -12.822 18.203 1.00 0.00 C ATOM 1202 CG ASN A 514 93.896 -13.976 18.470 1.00 0.00 C ATOM 1203 OD1 ASN A 514 94.205 -14.878 19.249 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.738 -13.956 17.822 1.00 0.00 N ATOM 0 H ASN A 514 96.057 -10.694 17.898 1.00 0.00 H new ATOM 0 HA ASN A 514 93.409 -11.334 17.600 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.234 -12.904 17.189 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.694 -12.890 18.880 1.00 0.00 H new ATOM 0 HD21 ASN A 514 92.063 -14.708 17.961 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.523 -13.189 17.185 1.00 0.00 H new ATOM 1211 N LYS A 515 94.207 -10.940 20.746 1.00 0.00 N ATOM 1212 CA LYS A 515 93.660 -10.825 22.093 1.00 0.00 C ATOM 1213 C LYS A 515 92.386 -9.987 22.087 1.00 0.00 C ATOM 1214 O LYS A 515 91.521 -10.147 22.948 1.00 0.00 O ATOM 1215 CB LYS A 515 94.691 -10.200 23.034 1.00 0.00 C ATOM 1216 CG LYS A 515 96.028 -10.923 23.044 1.00 0.00 C ATOM 1217 CD LYS A 515 95.889 -12.350 23.549 1.00 0.00 C ATOM 1218 CE LYS A 515 97.194 -13.118 23.406 1.00 0.00 C ATOM 1219 NZ LYS A 515 97.612 -13.754 24.686 1.00 0.00 N ATOM 0 H LYS A 515 95.181 -10.649 20.659 1.00 0.00 H new ATOM 0 HA LYS A 515 93.417 -11.826 22.449 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.852 -9.162 22.744 1.00 0.00 H new ATOM 0 HB3 LYS A 515 94.286 -10.189 24.046 1.00 0.00 H new ATOM 0 HG2 LYS A 515 96.445 -10.932 22.037 1.00 0.00 H new ATOM 0 HG3 LYS A 515 96.731 -10.380 23.675 1.00 0.00 H new ATOM 0 HD2 LYS A 515 95.584 -12.339 24.595 1.00 0.00 H new ATOM 0 HD3 LYS A 515 95.102 -12.860 22.993 1.00 0.00 H new ATOM 0 HE2 LYS A 515 97.081 -13.885 22.640 1.00 0.00 H new ATOM 0 HE3 LYS A 515 97.977 -12.441 23.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 98.506 -14.267 24.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 97.746 -13.020 25.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 96.877 -14.420 24.999 1.00 0.00 H new ATOM 1233 N LYS A 516 92.279 -9.098 21.105 1.00 0.00 N ATOM 1234 CA LYS A 516 91.111 -8.234 20.974 1.00 0.00 C ATOM 1235 C LYS A 516 90.424 -8.462 19.631 1.00 0.00 C ATOM 1236 O LYS A 516 89.197 -8.481 19.542 1.00 0.00 O ATOM 1237 CB LYS A 516 91.517 -6.765 21.109 1.00 0.00 C ATOM 1238 CG LYS A 516 90.400 -5.869 21.619 1.00 0.00 C ATOM 1239 CD LYS A 516 90.027 -6.206 23.054 1.00 0.00 C ATOM 1240 CE LYS A 516 88.865 -7.186 23.113 1.00 0.00 C ATOM 1241 NZ LYS A 516 87.584 -6.508 23.455 1.00 0.00 N ATOM 0 H LYS A 516 92.989 -8.957 20.386 1.00 0.00 H new ATOM 0 HA LYS A 516 90.411 -8.482 21.772 1.00 0.00 H new ATOM 0 HB2 LYS A 516 92.368 -6.693 21.787 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.851 -6.398 20.138 1.00 0.00 H new ATOM 0 HG2 LYS A 516 90.712 -4.826 21.558 1.00 0.00 H new ATOM 0 HG3 LYS A 516 89.524 -5.977 20.979 1.00 0.00 H new ATOM 0 HD2 LYS A 516 90.890 -6.633 23.565 1.00 0.00 H new ATOM 0 HD3 LYS A 516 89.761 -5.293 23.586 1.00 0.00 H new ATOM 0 HE2 LYS A 516 88.764 -7.688 22.151 1.00 0.00 H new ATOM 0 HE3 LYS A 516 89.077 -7.957 23.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 86.817 -7.210 23.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 87.671 -6.050 24.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 87.368 -5.790 22.734 1.00 0.00 H new ATOM 1255 N HIS A 517 91.231 -8.637 18.591 1.00 0.00 N ATOM 1256 CA HIS A 517 90.717 -8.869 17.247 1.00 0.00 C ATOM 1257 C HIS A 517 91.735 -9.641 16.413 1.00 0.00 C ATOM 1258 O HIS A 517 92.901 -9.261 16.336 1.00 0.00 O ATOM 1259 CB HIS A 517 90.391 -7.539 16.564 1.00 0.00 C ATOM 1260 CG HIS A 517 89.687 -6.560 17.453 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.335 -6.623 17.720 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.153 -5.487 18.133 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.002 -5.628 18.524 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.086 -4.925 18.790 1.00 0.00 N ATOM 0 H HIS A 517 92.249 -8.622 18.654 1.00 0.00 H new ATOM 0 HA HIS A 517 89.804 -9.460 17.327 1.00 0.00 H new ATOM 0 HB2 HIS A 517 91.317 -7.089 16.205 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.770 -7.733 15.689 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.175 -5.137 18.155 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.010 -5.425 18.900 1.00 0.00 H new ATOM 0 HE2 HIS A 517 89.125 -4.099 19.387 1.00 0.00 H new ATOM 1273 N CYS A 518 91.289 -10.728 15.791 1.00 0.00 N ATOM 1274 CA CYS A 518 92.168 -11.548 14.964 1.00 0.00 C ATOM 1275 C CYS A 518 92.618 -10.778 13.726 1.00 0.00 C ATOM 1276 O CYS A 518 91.791 -10.340 12.925 1.00 0.00 O ATOM 1277 CB CYS A 518 91.453 -12.835 14.547 1.00 0.00 C ATOM 1278 SG CYS A 518 90.357 -13.515 15.813 1.00 0.00 S ATOM 0 H CYS A 518 90.326 -11.061 15.844 1.00 0.00 H new ATOM 0 HA CYS A 518 93.049 -11.805 15.552 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.872 -12.639 13.646 1.00 0.00 H new ATOM 0 HB3 CYS A 518 92.200 -13.585 14.288 1.00 0.00 H new ATOM 0 HG CYS A 518 89.798 -14.600 15.366 1.00 0.00 H new ATOM 1284 N TRP A 519 93.930 -10.610 13.572 1.00 0.00 N ATOM 1285 CA TRP A 519 94.469 -9.886 12.424 1.00 0.00 C ATOM 1286 C TRP A 519 95.510 -10.702 11.677 1.00 0.00 C ATOM 1287 O TRP A 519 96.244 -11.499 12.263 1.00 0.00 O ATOM 1288 CB TRP A 519 95.066 -8.551 12.854 1.00 0.00 C ATOM 1289 CG TRP A 519 94.584 -7.420 12.012 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.926 -7.525 10.824 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.708 -6.019 12.282 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.632 -6.284 10.337 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.099 -5.337 11.212 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.274 -5.275 13.320 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.037 -3.947 11.153 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.212 -3.895 13.260 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.597 -3.244 12.185 1.00 0.00 C ATOM 0 H TRP A 519 94.633 -10.962 14.221 1.00 0.00 H new ATOM 0 HA TRP A 519 93.636 -9.701 11.746 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.811 -8.360 13.896 1.00 0.00 H new ATOM 0 HB3 TRP A 519 96.153 -8.606 12.797 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.673 -8.456 10.338 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.143 -6.092 9.463 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.751 -5.768 14.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.564 -3.442 10.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 95.646 -3.309 14.057 1.00 0.00 H new ATOM 0 HH2 TRP A 519 94.564 -2.165 12.169 1.00 0.00 H new ATOM 1308 N LYS A 520 95.551 -10.495 10.369 1.00 0.00 N ATOM 1309 CA LYS A 520 96.479 -11.194 9.496 1.00 0.00 C ATOM 1310 C LYS A 520 97.555 -10.258 8.959 1.00 0.00 C ATOM 1311 O LYS A 520 97.259 -9.151 8.513 1.00 0.00 O ATOM 1312 CB LYS A 520 95.707 -11.798 8.334 1.00 0.00 C ATOM 1313 CG LYS A 520 94.353 -12.355 8.737 1.00 0.00 C ATOM 1314 CD LYS A 520 94.485 -13.358 9.872 1.00 0.00 C ATOM 1315 CE LYS A 520 93.533 -13.034 11.012 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.862 -14.254 11.538 1.00 0.00 N ATOM 0 H LYS A 520 94.941 -9.837 9.884 1.00 0.00 H new ATOM 0 HA LYS A 520 96.972 -11.976 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.565 -11.037 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.301 -12.595 7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.698 -11.539 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.884 -12.834 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.280 -14.361 9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.510 -13.359 10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 520 94.083 -12.546 11.817 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.780 -12.326 10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 92.070 -13.977 12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 92.503 -14.822 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 93.544 -14.817 12.086 1.00 0.00 H new ATOM 1330 N LEU A 521 98.800 -10.719 8.984 1.00 0.00 N ATOM 1331 CA LEU A 521 99.915 -9.926 8.478 1.00 0.00 C ATOM 1332 C LEU A 521 100.853 -10.798 7.648 1.00 0.00 C ATOM 1333 O LEU A 521 101.291 -11.856 8.100 1.00 0.00 O ATOM 1334 CB LEU A 521 100.681 -9.279 9.633 1.00 0.00 C ATOM 1335 CG LEU A 521 99.829 -8.899 10.846 1.00 0.00 C ATOM 1336 CD1 LEU A 521 98.623 -8.075 10.417 1.00 0.00 C ATOM 1337 CD2 LEU A 521 99.387 -10.146 11.597 1.00 0.00 C ATOM 0 H LEU A 521 99.063 -11.635 9.348 1.00 0.00 H new ATOM 0 HA LEU A 521 99.515 -9.137 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 521 101.463 -9.965 9.959 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.177 -8.382 9.262 1.00 0.00 H new ATOM 0 HG LEU A 521 100.436 -8.291 11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 521 98.030 -7.815 11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 521 98.962 -7.164 9.924 1.00 0.00 H new ATOM 0 HD13 LEU A 521 98.013 -8.656 9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 521 98.782 -9.858 12.457 1.00 0.00 H new ATOM 0 HD22 LEU A 521 98.797 -10.780 10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 521 100.264 -10.695 11.939 1.00 0.00 H new ATOM 1349 N GLU A 522 101.152 -10.356 6.429 1.00 0.00 N ATOM 1350 CA GLU A 522 102.031 -11.114 5.542 1.00 0.00 C ATOM 1351 C GLU A 522 102.985 -10.196 4.783 1.00 0.00 C ATOM 1352 O GLU A 522 102.569 -9.194 4.202 1.00 0.00 O ATOM 1353 CB GLU A 522 101.199 -11.929 4.550 1.00 0.00 C ATOM 1354 CG GLU A 522 101.759 -13.315 4.274 1.00 0.00 C ATOM 1355 CD GLU A 522 100.727 -14.408 4.466 1.00 0.00 C ATOM 1356 OE1 GLU A 522 100.134 -14.479 5.562 1.00 0.00 O ATOM 1357 OE2 GLU A 522 100.513 -15.194 3.518 1.00 0.00 O ATOM 0 H GLU A 522 100.802 -9.483 6.035 1.00 0.00 H new ATOM 0 HA GLU A 522 102.627 -11.787 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.184 -12.027 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 522 101.131 -11.381 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 522 102.138 -13.353 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.606 -13.499 4.935 1.00 0.00 H new ATOM 1364 N ILE A 523 104.265 -10.554 4.783 1.00 0.00 N ATOM 1365 CA ILE A 523 105.281 -9.773 4.087 1.00 0.00 C ATOM 1366 C ILE A 523 105.485 -10.298 2.667 1.00 0.00 C ATOM 1367 O ILE A 523 105.931 -11.429 2.473 1.00 0.00 O ATOM 1368 CB ILE A 523 106.627 -9.802 4.840 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.535 -8.984 6.131 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.749 -9.277 3.955 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.465 -9.471 7.220 1.00 0.00 C ATOM 0 H ILE A 523 104.624 -11.382 5.258 1.00 0.00 H new ATOM 0 HA ILE A 523 104.926 -8.743 4.046 1.00 0.00 H new ATOM 0 HB ILE A 523 106.852 -10.836 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 523 106.763 -7.942 5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.509 -9.015 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.690 -9.306 4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.830 -9.899 3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.531 -8.250 3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.347 -8.846 8.105 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.223 -10.504 7.470 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.496 -9.414 6.870 1.00 0.00 H new ATOM 1383 N LEU A 524 105.148 -9.475 1.678 1.00 0.00 N ATOM 1384 CA LEU A 524 105.290 -9.865 0.278 1.00 0.00 C ATOM 1385 C LEU A 524 106.749 -10.128 -0.076 1.00 0.00 C ATOM 1386 O LEU A 524 107.653 -9.472 0.442 1.00 0.00 O ATOM 1387 CB LEU A 524 104.725 -8.780 -0.639 1.00 0.00 C ATOM 1388 CG LEU A 524 103.199 -8.744 -0.738 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.691 -9.903 -1.582 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.574 -8.778 0.649 1.00 0.00 C ATOM 0 H LEU A 524 104.776 -8.536 1.819 1.00 0.00 H new ATOM 0 HA LEU A 524 104.728 -10.787 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 524 105.074 -7.810 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.135 -8.921 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 524 102.907 -7.813 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.603 -9.861 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.112 -9.834 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 524 102.993 -10.845 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.488 -8.752 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.874 -9.692 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.912 -7.914 1.222 1.00 0.00 H new ATOM 1402 N SER A 525 106.971 -11.105 -0.949 1.00 0.00 N ATOM 1403 CA SER A 525 108.322 -11.471 -1.361 1.00 0.00 C ATOM 1404 C SER A 525 108.349 -11.967 -2.804 1.00 0.00 C ATOM 1405 O SER A 525 107.320 -12.343 -3.365 1.00 0.00 O ATOM 1406 CB SER A 525 108.887 -12.541 -0.424 1.00 0.00 C ATOM 1407 OG SER A 525 108.315 -13.809 -0.695 1.00 0.00 O ATOM 0 H SER A 525 106.233 -11.658 -1.385 1.00 0.00 H new ATOM 0 HA SER A 525 108.944 -10.578 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 525 109.970 -12.595 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.690 -12.263 0.611 1.00 0.00 H new ATOM 0 HG SER A 525 108.693 -14.476 -0.085 1.00 0.00 H new ATOM 1413 N GLY A 526 109.541 -11.974 -3.392 1.00 0.00 N ATOM 1414 CA GLY A 526 109.698 -12.439 -4.758 1.00 0.00 C ATOM 1415 C GLY A 526 108.770 -11.744 -5.733 1.00 0.00 C ATOM 1416 O GLY A 526 108.501 -10.548 -5.605 1.00 0.00 O ATOM 0 H GLY A 526 110.404 -11.665 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.730 -12.282 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.514 -13.513 -4.793 1.00 0.00 H new ATOM 1420 N ASP A 527 108.287 -12.496 -6.715 1.00 0.00 N ATOM 1421 CA ASP A 527 107.391 -11.953 -7.727 1.00 0.00 C ATOM 1422 C ASP A 527 106.154 -11.330 -7.091 1.00 0.00 C ATOM 1423 O ASP A 527 105.576 -10.390 -7.632 1.00 0.00 O ATOM 1424 CB ASP A 527 106.975 -13.049 -8.709 1.00 0.00 C ATOM 1425 CG ASP A 527 107.735 -12.973 -10.019 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.338 -11.916 -10.295 1.00 0.00 O ATOM 1427 OD2 ASP A 527 107.728 -13.973 -10.769 1.00 0.00 O ATOM 0 H ASP A 527 108.502 -13.486 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 527 107.928 -11.173 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 527 107.142 -14.024 -8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 527 105.906 -12.968 -8.907 1.00 0.00 H new ATOM 1432 N HIS A 528 105.745 -11.858 -5.942 1.00 0.00 N ATOM 1433 CA HIS A 528 104.571 -11.336 -5.254 1.00 0.00 C ATOM 1434 C HIS A 528 104.800 -9.895 -4.807 1.00 0.00 C ATOM 1435 O HIS A 528 103.951 -9.028 -5.021 1.00 0.00 O ATOM 1436 CB HIS A 528 104.230 -12.210 -4.047 1.00 0.00 C ATOM 1437 CG HIS A 528 102.790 -12.137 -3.645 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.339 -12.500 -2.394 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.695 -11.739 -4.337 1.00 0.00 C ATOM 1440 CE1 HIS A 528 101.029 -12.331 -2.333 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.616 -11.870 -3.499 1.00 0.00 N ATOM 0 H HIS A 528 106.204 -12.639 -5.472 1.00 0.00 H new ATOM 0 HA HIS A 528 103.734 -11.352 -5.952 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.483 -13.245 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.850 -11.908 -3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.675 -11.385 -5.357 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.404 -12.535 -1.476 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.650 -11.647 -3.739 1.00 0.00 H new ATOM 1450 N GLU A 529 105.955 -9.640 -4.198 1.00 0.00 N ATOM 1451 CA GLU A 529 106.290 -8.296 -3.738 1.00 0.00 C ATOM 1452 C GLU A 529 106.506 -7.364 -4.925 1.00 0.00 C ATOM 1453 O GLU A 529 106.009 -6.237 -4.949 1.00 0.00 O ATOM 1454 CB GLU A 529 107.543 -8.330 -2.859 1.00 0.00 C ATOM 1455 CG GLU A 529 108.262 -6.993 -2.768 1.00 0.00 C ATOM 1456 CD GLU A 529 109.498 -7.054 -1.892 1.00 0.00 C ATOM 1457 OE1 GLU A 529 110.608 -6.829 -2.416 1.00 0.00 O ATOM 1458 OE2 GLU A 529 109.355 -7.327 -0.682 1.00 0.00 O ATOM 0 H GLU A 529 106.671 -10.342 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 529 105.457 -7.918 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.264 -8.651 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 529 108.232 -9.077 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.546 -6.669 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 529 107.577 -6.243 -2.372 1.00 0.00 H new ATOM 1465 N GLN A 530 107.249 -7.852 -5.912 1.00 0.00 N ATOM 1466 CA GLN A 530 107.534 -7.074 -7.111 1.00 0.00 C ATOM 1467 C GLN A 530 106.248 -6.763 -7.870 1.00 0.00 C ATOM 1468 O GLN A 530 106.085 -5.672 -8.414 1.00 0.00 O ATOM 1469 CB GLN A 530 108.516 -7.821 -8.017 1.00 0.00 C ATOM 1470 CG GLN A 530 107.847 -8.753 -9.015 1.00 0.00 C ATOM 1471 CD GLN A 530 107.545 -8.072 -10.335 1.00 0.00 C ATOM 1472 OE1 GLN A 530 108.290 -7.199 -10.781 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.446 -8.468 -10.968 1.00 0.00 N ATOM 0 H GLN A 530 107.665 -8.783 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 530 107.991 -6.133 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.118 -7.094 -8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 530 109.200 -8.400 -7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.493 -9.613 -9.193 1.00 0.00 H new ATOM 0 HG3 GLN A 530 106.920 -9.134 -8.586 1.00 0.00 H new ATOM 0 HE21 GLN A 530 105.857 -9.195 -10.562 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.191 -8.045 -11.860 1.00 0.00 H new ATOM 1482 N ARG A 531 105.338 -7.731 -7.898 1.00 0.00 N ATOM 1483 CA ARG A 531 104.066 -7.562 -8.588 1.00 0.00 C ATOM 1484 C ARG A 531 103.271 -6.410 -7.984 1.00 0.00 C ATOM 1485 O ARG A 531 102.862 -5.488 -8.688 1.00 0.00 O ATOM 1486 CB ARG A 531 103.247 -8.852 -8.522 1.00 0.00 C ATOM 1487 CG ARG A 531 101.823 -8.693 -9.029 1.00 0.00 C ATOM 1488 CD ARG A 531 100.859 -8.378 -7.897 1.00 0.00 C ATOM 1489 NE ARG A 531 99.936 -9.481 -7.642 1.00 0.00 N ATOM 1490 CZ ARG A 531 98.719 -9.321 -7.134 1.00 0.00 C ATOM 1491 NH1 ARG A 531 98.284 -8.109 -6.814 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.935 -10.374 -6.942 1.00 0.00 N ATOM 0 H ARG A 531 105.458 -8.640 -7.451 1.00 0.00 H new ATOM 0 HA ARG A 531 104.276 -7.329 -9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.749 -9.622 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.220 -9.203 -7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.787 -7.895 -9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.510 -9.609 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.423 -8.160 -6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.292 -7.480 -8.143 1.00 0.00 H new ATOM 0 HE ARG A 531 100.243 -10.427 -7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 531 98.884 -7.297 -6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 531 97.349 -7.989 -6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 531 98.267 -11.308 -7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.001 -10.250 -6.552 1.00 0.00 H new ATOM 1506 N TYR A 532 103.055 -6.467 -6.673 1.00 0.00 N ATOM 1507 CA TYR A 532 102.310 -5.421 -5.984 1.00 0.00 C ATOM 1508 C TYR A 532 102.895 -4.052 -6.308 1.00 0.00 C ATOM 1509 O TYR A 532 102.165 -3.098 -6.589 1.00 0.00 O ATOM 1510 CB TYR A 532 102.335 -5.664 -4.474 1.00 0.00 C ATOM 1511 CG TYR A 532 101.663 -4.575 -3.670 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.326 -3.390 -3.385 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.367 -4.733 -3.197 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.718 -2.391 -2.648 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.751 -3.739 -2.461 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.431 -2.570 -2.189 1.00 0.00 C ATOM 1517 OH TYR A 532 99.821 -1.579 -1.454 1.00 0.00 O ATOM 0 H TYR A 532 103.383 -7.222 -6.071 1.00 0.00 H new ATOM 0 HA TYR A 532 101.275 -5.446 -6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.846 -6.615 -4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.371 -5.757 -4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.334 -3.246 -3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.832 -5.647 -3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 532 102.249 -1.475 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.742 -3.877 -2.101 1.00 0.00 H new ATOM 0 HH TYR A 532 98.853 -1.608 -1.606 1.00 0.00 H new ATOM 1527 N TRP A 533 104.220 -3.963 -6.286 1.00 0.00 N ATOM 1528 CA TRP A 533 104.892 -2.712 -6.595 1.00 0.00 C ATOM 1529 C TRP A 533 104.594 -2.287 -8.025 1.00 0.00 C ATOM 1530 O TRP A 533 104.369 -1.108 -8.297 1.00 0.00 O ATOM 1531 CB TRP A 533 106.395 -2.836 -6.360 1.00 0.00 C ATOM 1532 CG TRP A 533 106.768 -2.536 -4.943 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.156 -3.431 -3.990 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.762 -1.251 -4.315 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.392 -2.779 -2.804 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.158 -1.439 -2.978 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.460 0.042 -4.753 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.261 -0.382 -2.075 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.564 1.089 -3.857 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.960 0.872 -2.533 1.00 0.00 C ATOM 0 H TRP A 533 104.844 -4.737 -6.059 1.00 0.00 H new ATOM 0 HA TRP A 533 104.511 -1.940 -5.927 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.719 -3.845 -6.614 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.923 -2.154 -7.026 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.262 -4.495 -4.145 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.693 -3.220 -1.935 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.151 0.219 -5.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.567 -0.547 -1.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.336 2.092 -4.185 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.030 1.712 -1.858 1.00 0.00 H new ATOM 1551 N GLN A 534 104.567 -3.257 -8.935 1.00 0.00 N ATOM 1552 CA GLN A 534 104.266 -2.970 -10.329 1.00 0.00 C ATOM 1553 C GLN A 534 102.992 -2.144 -10.408 1.00 0.00 C ATOM 1554 O GLN A 534 102.919 -1.151 -11.132 1.00 0.00 O ATOM 1555 CB GLN A 534 104.105 -4.266 -11.125 1.00 0.00 C ATOM 1556 CG GLN A 534 105.393 -5.059 -11.263 1.00 0.00 C ATOM 1557 CD GLN A 534 106.620 -4.171 -11.292 1.00 0.00 C ATOM 1558 OE1 GLN A 534 107.131 -3.833 -12.359 1.00 0.00 O ATOM 1559 NE2 GLN A 534 107.101 -3.788 -10.115 1.00 0.00 N ATOM 0 H GLN A 534 104.749 -4.240 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 534 105.093 -2.407 -10.762 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.354 -4.890 -10.640 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.727 -4.027 -12.119 1.00 0.00 H new ATOM 0 HG2 GLN A 534 105.475 -5.760 -10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.355 -5.651 -12.177 1.00 0.00 H new ATOM 0 HE21 GLN A 534 106.645 -4.092 -9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 534 107.926 -3.190 -10.071 1.00 0.00 H new ATOM 1568 N LYS A 535 101.993 -2.553 -9.630 1.00 0.00 N ATOM 1569 CA LYS A 535 100.725 -1.843 -9.583 1.00 0.00 C ATOM 1570 C LYS A 535 100.954 -0.430 -9.058 1.00 0.00 C ATOM 1571 O LYS A 535 100.364 0.531 -9.551 1.00 0.00 O ATOM 1572 CB LYS A 535 99.722 -2.607 -8.704 1.00 0.00 C ATOM 1573 CG LYS A 535 98.874 -1.724 -7.800 1.00 0.00 C ATOM 1574 CD LYS A 535 99.579 -1.439 -6.484 1.00 0.00 C ATOM 1575 CE LYS A 535 99.027 -2.301 -5.359 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.566 -2.087 -5.162 1.00 0.00 N ATOM 0 H LYS A 535 102.040 -3.373 -9.025 1.00 0.00 H new ATOM 0 HA LYS A 535 100.305 -1.776 -10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.061 -3.186 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.269 -3.319 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.655 -0.785 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 535 97.919 -2.211 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.648 -1.624 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.462 -0.386 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 535 99.213 -3.352 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.556 -2.073 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.326 -2.230 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 97.316 -1.117 -5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 97.034 -2.764 -5.745 1.00 0.00 H new ATOM 1590 N ILE A 536 101.830 -0.313 -8.063 1.00 0.00 N ATOM 1591 CA ILE A 536 102.154 0.984 -7.482 1.00 0.00 C ATOM 1592 C ILE A 536 102.759 1.906 -8.536 1.00 0.00 C ATOM 1593 O ILE A 536 102.266 3.008 -8.769 1.00 0.00 O ATOM 1594 CB ILE A 536 103.148 0.851 -6.311 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.503 0.105 -5.141 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.633 2.223 -5.869 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.386 0.029 -3.913 1.00 0.00 C ATOM 0 H ILE A 536 102.326 -1.100 -7.644 1.00 0.00 H new ATOM 0 HA ILE A 536 101.222 1.407 -7.107 1.00 0.00 H new ATOM 0 HB ILE A 536 104.008 0.275 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.568 0.599 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.250 -0.906 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 536 104.334 2.112 -5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 536 104.131 2.719 -6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.782 2.823 -5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.865 -0.513 -3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.311 -0.492 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.618 1.037 -3.569 1.00 0.00 H new ATOM 1609 N LEU A 537 103.829 1.441 -9.173 1.00 0.00 N ATOM 1610 CA LEU A 537 104.506 2.215 -10.208 1.00 0.00 C ATOM 1611 C LEU A 537 103.561 2.518 -11.368 1.00 0.00 C ATOM 1612 O LEU A 537 103.310 3.681 -11.692 1.00 0.00 O ATOM 1613 CB LEU A 537 105.731 1.453 -10.723 1.00 0.00 C ATOM 1614 CG LEU A 537 107.033 1.722 -9.966 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.195 3.208 -9.691 1.00 0.00 C ATOM 1616 CD2 LEU A 537 107.069 0.931 -8.666 1.00 0.00 C ATOM 0 H LEU A 537 104.247 0.529 -8.990 1.00 0.00 H new ATOM 0 HA LEU A 537 104.828 3.159 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.519 0.385 -10.680 1.00 0.00 H new ATOM 0 HB3 LEU A 537 105.881 1.706 -11.773 1.00 0.00 H new ATOM 0 HG LEU A 537 107.865 1.396 -10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.127 3.379 -9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 537 107.217 3.752 -10.635 1.00 0.00 H new ATOM 0 HD13 LEU A 537 106.358 3.560 -9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 537 108.002 1.135 -8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 537 106.228 1.225 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.002 -0.134 -8.886 1.00 0.00 H new ATOM 1628 N VAL A 538 103.044 1.465 -11.992 1.00 0.00 N ATOM 1629 CA VAL A 538 102.129 1.617 -13.117 1.00 0.00 C ATOM 1630 C VAL A 538 100.949 2.513 -12.751 1.00 0.00 C ATOM 1631 O VAL A 538 100.489 3.310 -13.569 1.00 0.00 O ATOM 1632 CB VAL A 538 101.602 0.253 -13.604 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.428 0.437 -14.556 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.716 -0.541 -14.269 1.00 0.00 C ATOM 0 H VAL A 538 103.243 0.497 -11.738 1.00 0.00 H new ATOM 0 HA VAL A 538 102.695 2.083 -13.924 1.00 0.00 H new ATOM 0 HB VAL A 538 101.250 -0.308 -12.738 1.00 0.00 H new ATOM 0 HG11 VAL A 538 100.072 -0.538 -14.887 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.622 0.962 -14.043 1.00 0.00 H new ATOM 0 HG13 VAL A 538 100.748 1.019 -15.420 1.00 0.00 H new ATOM 0 HG21 VAL A 538 102.327 -1.501 -14.607 1.00 0.00 H new ATOM 0 HG22 VAL A 538 103.100 0.016 -15.124 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.521 -0.708 -13.553 1.00 0.00 H new ATOM 1644 N ASP A 539 100.461 2.379 -11.522 1.00 0.00 N ATOM 1645 CA ASP A 539 99.335 3.183 -11.062 1.00 0.00 C ATOM 1646 C ASP A 539 99.695 4.666 -11.069 1.00 0.00 C ATOM 1647 O ASP A 539 98.878 5.513 -11.433 1.00 0.00 O ATOM 1648 CB ASP A 539 98.917 2.755 -9.654 1.00 0.00 C ATOM 1649 CG ASP A 539 98.054 3.794 -8.966 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.407 4.592 -9.677 1.00 0.00 O ATOM 1651 OD2 ASP A 539 98.024 3.810 -7.717 1.00 0.00 O ATOM 0 H ASP A 539 100.826 1.725 -10.830 1.00 0.00 H new ATOM 0 HA ASP A 539 98.500 3.023 -11.744 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.371 1.813 -9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.808 2.571 -9.054 1.00 0.00 H new ATOM 1656 N ARG A 540 100.928 4.971 -10.675 1.00 0.00 N ATOM 1657 CA ARG A 540 101.397 6.349 -10.647 1.00 0.00 C ATOM 1658 C ARG A 540 101.411 6.939 -12.053 1.00 0.00 C ATOM 1659 O ARG A 540 101.037 8.094 -12.258 1.00 0.00 O ATOM 1660 CB ARG A 540 102.794 6.425 -10.029 1.00 0.00 C ATOM 1661 CG ARG A 540 102.826 6.059 -8.553 1.00 0.00 C ATOM 1662 CD ARG A 540 102.012 7.036 -7.720 1.00 0.00 C ATOM 1663 NE ARG A 540 101.781 6.543 -6.365 1.00 0.00 N ATOM 1664 CZ ARG A 540 102.738 6.424 -5.451 1.00 0.00 C ATOM 1665 NH1 ARG A 540 103.987 6.754 -5.749 1.00 0.00 N ATOM 1666 NH2 ARG A 540 102.446 5.973 -4.238 1.00 0.00 N ATOM 0 H ARG A 540 101.617 4.283 -10.372 1.00 0.00 H new ATOM 0 HA ARG A 540 100.711 6.932 -10.033 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.461 5.758 -10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 540 103.183 7.436 -10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 540 102.435 5.050 -8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 540 103.858 6.051 -8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 540 102.532 7.993 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 540 101.054 7.217 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 540 100.832 6.275 -6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 540 104.215 7.100 -6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 540 104.720 6.662 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 540 101.486 5.717 -4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 540 103.181 5.882 -3.537 1.00 0.00 H new ATOM 1680 N GLN A 541 101.842 6.133 -13.019 1.00 0.00 N ATOM 1681 CA GLN A 541 101.901 6.573 -14.408 1.00 0.00 C ATOM 1682 C GLN A 541 100.511 6.928 -14.923 1.00 0.00 C ATOM 1683 O GLN A 541 100.332 7.932 -15.613 1.00 0.00 O ATOM 1684 CB GLN A 541 102.516 5.479 -15.285 1.00 0.00 C ATOM 1685 CG GLN A 541 104.036 5.456 -15.255 1.00 0.00 C ATOM 1686 CD GLN A 541 104.586 4.960 -13.932 1.00 0.00 C ATOM 1687 OE1 GLN A 541 104.309 5.533 -12.877 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.371 3.891 -13.980 1.00 0.00 N ATOM 0 H GLN A 541 102.155 5.174 -12.866 1.00 0.00 H new ATOM 0 HA GLN A 541 102.527 7.464 -14.456 1.00 0.00 H new ATOM 0 HB2 GLN A 541 102.140 4.509 -14.959 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.184 5.620 -16.313 1.00 0.00 H new ATOM 0 HG2 GLN A 541 104.402 4.817 -16.059 1.00 0.00 H new ATOM 0 HG3 GLN A 541 104.415 6.460 -15.448 1.00 0.00 H new ATOM 0 HE21 GLN A 541 105.574 3.447 -14.876 1.00 0.00 H new ATOM 0 HE22 GLN A 541 105.771 3.513 -13.121 1.00 0.00 H new ATOM 1697 N ALA A 542 99.531 6.100 -14.582 1.00 0.00 N ATOM 1698 CA ALA A 542 98.157 6.330 -15.009 1.00 0.00 C ATOM 1699 C ALA A 542 97.618 7.630 -14.426 1.00 0.00 C ATOM 1700 O ALA A 542 96.865 8.351 -15.081 1.00 0.00 O ATOM 1701 CB ALA A 542 97.263 5.165 -14.617 1.00 0.00 C ATOM 0 H ALA A 542 99.662 5.264 -14.012 1.00 0.00 H new ATOM 0 HA ALA A 542 98.156 6.413 -16.096 1.00 0.00 H new ATOM 0 HB1 ALA A 542 96.243 5.362 -14.947 1.00 0.00 H new ATOM 0 HB2 ALA A 542 97.627 4.252 -15.088 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.277 5.044 -13.534 1.00 0.00 H new ATOM 1707 N LYS A 543 98.007 7.925 -13.191 1.00 0.00 N ATOM 1708 CA LYS A 543 97.560 9.140 -12.521 1.00 0.00 C ATOM 1709 C LYS A 543 97.910 10.374 -13.347 1.00 0.00 C ATOM 1710 O LYS A 543 97.152 11.343 -13.385 1.00 0.00 O ATOM 1711 CB LYS A 543 98.187 9.244 -11.129 1.00 0.00 C ATOM 1712 CG LYS A 543 97.164 9.387 -10.013 1.00 0.00 C ATOM 1713 CD LYS A 543 97.620 8.689 -8.741 1.00 0.00 C ATOM 1714 CE LYS A 543 99.099 8.920 -8.475 1.00 0.00 C ATOM 1715 NZ LYS A 543 99.429 8.788 -7.028 1.00 0.00 N ATOM 0 H LYS A 543 98.630 7.340 -12.634 1.00 0.00 H new ATOM 0 HA LYS A 543 96.476 9.090 -12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 543 98.793 8.357 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 543 98.861 10.100 -11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 543 96.994 10.444 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 543 96.211 8.968 -10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 543 97.036 9.054 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 543 97.427 7.619 -8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 543 99.687 8.204 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 543 99.380 9.914 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 100.423 9.052 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 98.814 9.416 -6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 99.281 7.804 -6.727 1.00 0.00 H new ATOM 1729 N LEU A 544 99.062 10.333 -14.010 1.00 0.00 N ATOM 1730 CA LEU A 544 99.506 11.450 -14.835 1.00 0.00 C ATOM 1731 C LEU A 544 98.488 11.752 -15.931 1.00 0.00 C ATOM 1732 O LEU A 544 98.510 12.825 -16.534 1.00 0.00 O ATOM 1733 CB LEU A 544 100.870 11.142 -15.462 1.00 0.00 C ATOM 1734 CG LEU A 544 101.885 12.289 -15.414 1.00 0.00 C ATOM 1735 CD1 LEU A 544 101.178 13.635 -15.349 1.00 0.00 C ATOM 1736 CD2 LEU A 544 102.822 12.119 -14.227 1.00 0.00 C ATOM 0 H LEU A 544 99.703 9.540 -13.992 1.00 0.00 H new ATOM 0 HA LEU A 544 99.599 12.327 -14.195 1.00 0.00 H new ATOM 0 HB2 LEU A 544 101.298 10.278 -14.954 1.00 0.00 H new ATOM 0 HB3 LEU A 544 100.717 10.857 -16.503 1.00 0.00 H new ATOM 0 HG LEU A 544 102.476 12.261 -16.329 1.00 0.00 H new ATOM 0 HD11 LEU A 544 101.919 14.434 -15.316 1.00 0.00 H new ATOM 0 HD12 LEU A 544 100.550 13.759 -16.231 1.00 0.00 H new ATOM 0 HD13 LEU A 544 100.558 13.678 -14.453 1.00 0.00 H new ATOM 0 HD21 LEU A 544 103.537 12.942 -14.207 1.00 0.00 H new ATOM 0 HD22 LEU A 544 102.243 12.119 -13.303 1.00 0.00 H new ATOM 0 HD23 LEU A 544 103.358 11.175 -14.319 1.00 0.00 H new ATOM 1748 N ASN A 545 97.596 10.799 -16.182 1.00 0.00 N ATOM 1749 CA ASN A 545 96.570 10.963 -17.205 1.00 0.00 C ATOM 1750 C ASN A 545 95.175 10.909 -16.589 1.00 0.00 C ATOM 1751 O ASN A 545 94.326 11.754 -16.875 1.00 0.00 O ATOM 1752 CB ASN A 545 96.709 9.879 -18.275 1.00 0.00 C ATOM 1753 CG ASN A 545 97.092 10.448 -19.627 1.00 0.00 C ATOM 1754 OD1 ASN A 545 96.443 10.173 -20.636 1.00 0.00 O ATOM 1755 ND2 ASN A 545 98.154 11.245 -19.654 1.00 0.00 N ATOM 0 H ASN A 545 97.563 9.906 -15.691 1.00 0.00 H new ATOM 0 HA ASN A 545 96.707 11.940 -17.668 1.00 0.00 H new ATOM 0 HB2 ASN A 545 97.463 9.157 -17.961 1.00 0.00 H new ATOM 0 HB3 ASN A 545 95.767 9.338 -18.365 1.00 0.00 H new ATOM 0 HD21 ASN A 545 98.461 11.656 -20.536 1.00 0.00 H new ATOM 0 HD22 ASN A 545 98.663 11.446 -18.793 1.00 0.00 H new ATOM 1762 N GLN A 546 94.946 9.910 -15.745 1.00 0.00 N ATOM 1763 CA GLN A 546 93.655 9.745 -15.088 1.00 0.00 C ATOM 1764 C GLN A 546 93.768 10.014 -13.591 1.00 0.00 C ATOM 1765 O GLN A 546 93.561 9.119 -12.771 1.00 0.00 O ATOM 1766 CB GLN A 546 93.117 8.332 -15.326 1.00 0.00 C ATOM 1767 CG GLN A 546 91.937 8.284 -16.282 1.00 0.00 C ATOM 1768 CD GLN A 546 90.781 7.465 -15.743 1.00 0.00 C ATOM 1769 OE1 GLN A 546 90.839 6.236 -15.707 1.00 0.00 O ATOM 1770 NE2 GLN A 546 89.721 8.145 -15.320 1.00 0.00 N ATOM 0 H GLN A 546 95.638 9.202 -15.499 1.00 0.00 H new ATOM 0 HA GLN A 546 92.961 10.468 -15.516 1.00 0.00 H new ATOM 0 HB2 GLN A 546 93.919 7.708 -15.720 1.00 0.00 H new ATOM 0 HB3 GLN A 546 92.818 7.900 -14.371 1.00 0.00 H new ATOM 0 HG2 GLN A 546 91.595 9.299 -16.482 1.00 0.00 H new ATOM 0 HG3 GLN A 546 92.262 7.864 -17.234 1.00 0.00 H new ATOM 0 HE21 GLN A 546 89.716 9.164 -15.368 1.00 0.00 H new ATOM 0 HE22 GLN A 546 88.912 7.648 -14.947 1.00 0.00 H new ATOM 1779 N PRO A 547 94.102 11.259 -13.219 1.00 0.00 N ATOM 1780 CA PRO A 547 94.247 11.654 -11.813 1.00 0.00 C ATOM 1781 C PRO A 547 92.906 11.728 -11.089 1.00 0.00 C ATOM 1782 O PRO A 547 91.902 11.200 -11.565 1.00 0.00 O ATOM 1783 CB PRO A 547 94.885 13.041 -11.901 1.00 0.00 C ATOM 1784 CG PRO A 547 94.458 13.570 -13.227 1.00 0.00 C ATOM 1785 CD PRO A 547 94.365 12.378 -14.141 1.00 0.00 C ATOM 0 HA PRO A 547 94.835 10.933 -11.245 1.00 0.00 H new ATOM 0 HB2 PRO A 547 94.546 13.685 -11.090 1.00 0.00 H new ATOM 0 HB3 PRO A 547 95.971 12.983 -11.829 1.00 0.00 H new ATOM 0 HG2 PRO A 547 93.497 14.080 -13.152 1.00 0.00 H new ATOM 0 HG3 PRO A 547 95.176 14.297 -13.606 1.00 0.00 H new ATOM 0 HD2 PRO A 547 93.564 12.493 -14.871 1.00 0.00 H new ATOM 0 HD3 PRO A 547 95.288 12.228 -14.701 1.00 0.00 H new ATOM 1793 N ARG A 548 92.899 12.385 -9.932 1.00 0.00 N ATOM 1794 CA ARG A 548 91.682 12.526 -9.138 1.00 0.00 C ATOM 1795 C ARG A 548 91.312 11.201 -8.477 1.00 0.00 C ATOM 1796 O ARG A 548 91.956 10.179 -8.712 1.00 0.00 O ATOM 1797 CB ARG A 548 90.530 13.015 -10.017 1.00 0.00 C ATOM 1798 CG ARG A 548 89.912 14.321 -9.543 1.00 0.00 C ATOM 1799 CD ARG A 548 88.426 14.163 -9.264 1.00 0.00 C ATOM 1800 NE ARG A 548 87.678 13.789 -10.464 1.00 0.00 N ATOM 1801 CZ ARG A 548 87.083 14.665 -11.271 1.00 0.00 C ATOM 1802 NH1 ARG A 548 87.151 15.965 -11.018 1.00 0.00 N ATOM 1803 NH2 ARG A 548 86.420 14.238 -12.339 1.00 0.00 N ATOM 0 H ARG A 548 93.722 12.828 -9.524 1.00 0.00 H new ATOM 0 HA ARG A 548 91.867 13.262 -8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 548 90.892 13.144 -11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 548 89.757 12.247 -10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 548 90.419 14.658 -8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 548 90.062 15.092 -10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 548 88.281 13.404 -8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 548 88.031 15.098 -8.867 1.00 0.00 H new ATOM 0 HE ARG A 548 87.608 12.798 -10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 548 87.662 16.299 -10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 548 86.693 16.630 -11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 548 86.367 13.240 -12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 548 85.964 14.908 -12.958 1.00 0.00 H new ATOM 1817 N GLU A 549 90.272 11.225 -7.651 1.00 0.00 N ATOM 1818 CA GLU A 549 89.816 10.025 -6.957 1.00 0.00 C ATOM 1819 C GLU A 549 90.834 9.576 -5.913 1.00 0.00 C ATOM 1820 O GLU A 549 91.950 10.093 -5.857 1.00 0.00 O ATOM 1821 CB GLU A 549 89.568 8.895 -7.959 1.00 0.00 C ATOM 1822 CG GLU A 549 88.149 8.352 -7.927 1.00 0.00 C ATOM 1823 CD GLU A 549 87.106 9.448 -7.824 1.00 0.00 C ATOM 1824 OE1 GLU A 549 87.252 10.475 -8.520 1.00 0.00 O ATOM 1825 OE2 GLU A 549 86.141 9.277 -7.048 1.00 0.00 O ATOM 0 H GLU A 549 89.728 12.063 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 549 88.883 10.265 -6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 549 89.787 9.257 -8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 549 90.264 8.081 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 549 87.968 7.767 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 549 88.043 7.674 -7.080 1.00 0.00 H new ATOM 1832 N LYS A 550 90.441 8.612 -5.086 1.00 0.00 N ATOM 1833 CA LYS A 550 91.320 8.091 -4.044 1.00 0.00 C ATOM 1834 C LYS A 550 91.650 9.171 -3.019 1.00 0.00 C ATOM 1835 O LYS A 550 91.985 10.299 -3.378 1.00 0.00 O ATOM 1836 CB LYS A 550 92.610 7.548 -4.659 1.00 0.00 C ATOM 1837 CG LYS A 550 92.455 6.172 -5.285 1.00 0.00 C ATOM 1838 CD LYS A 550 93.679 5.307 -5.032 1.00 0.00 C ATOM 1839 CE LYS A 550 93.301 3.843 -4.869 1.00 0.00 C ATOM 1840 NZ LYS A 550 93.390 3.100 -6.157 1.00 0.00 N ATOM 0 H LYS A 550 89.520 8.176 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 550 90.797 7.280 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 550 92.962 8.246 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 550 93.379 7.502 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 550 91.571 5.682 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 550 92.296 6.275 -6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 550 94.379 5.413 -5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 550 94.192 5.654 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 550 93.959 3.378 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 550 92.286 3.771 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 93.125 2.106 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 92.743 3.528 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 94.364 3.146 -6.518 1.00 0.00 H new ATOM 1854 N LYS A 551 91.556 8.815 -1.742 1.00 0.00 N ATOM 1855 CA LYS A 551 91.847 9.753 -0.665 1.00 0.00 C ATOM 1856 C LYS A 551 90.821 10.882 -0.631 1.00 0.00 C ATOM 1857 O LYS A 551 91.156 12.044 -0.861 1.00 0.00 O ATOM 1858 CB LYS A 551 93.254 10.328 -0.831 1.00 0.00 C ATOM 1859 CG LYS A 551 93.596 11.398 0.192 1.00 0.00 C ATOM 1860 CD LYS A 551 94.337 12.562 -0.445 1.00 0.00 C ATOM 1861 CE LYS A 551 95.538 12.082 -1.244 1.00 0.00 C ATOM 1862 NZ LYS A 551 96.560 13.152 -1.409 1.00 0.00 N ATOM 0 H LYS A 551 91.281 7.884 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 551 91.792 9.212 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 551 93.980 9.519 -0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 551 93.350 10.749 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 551 92.681 11.761 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 551 94.209 10.964 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 551 93.660 13.113 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 551 94.666 13.254 0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 551 95.988 11.225 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 551 95.208 11.741 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 97.362 12.784 -1.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 96.139 13.960 -1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 96.894 13.460 -0.474 1.00 0.00 H new ATOM 1876 N ARG A 552 89.573 10.530 -0.343 1.00 0.00 N ATOM 1877 CA ARG A 552 88.497 11.512 -0.278 1.00 0.00 C ATOM 1878 C ARG A 552 88.565 12.307 1.023 1.00 0.00 C ATOM 1879 O ARG A 552 88.040 13.417 1.112 1.00 0.00 O ATOM 1880 CB ARG A 552 87.139 10.819 -0.397 1.00 0.00 C ATOM 1881 CG ARG A 552 86.497 10.970 -1.767 1.00 0.00 C ATOM 1882 CD ARG A 552 85.114 10.341 -1.806 1.00 0.00 C ATOM 1883 NE ARG A 552 85.076 9.156 -2.657 1.00 0.00 N ATOM 1884 CZ ARG A 552 84.041 8.324 -2.712 1.00 0.00 C ATOM 1885 NH1 ARG A 552 82.971 8.543 -1.959 1.00 0.00 N ATOM 1886 NH2 ARG A 552 84.076 7.272 -3.517 1.00 0.00 N ATOM 0 H ARG A 552 89.281 9.572 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 552 88.618 12.204 -1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 552 87.261 9.758 -0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 552 86.466 11.226 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 552 86.424 12.027 -2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 552 87.131 10.504 -2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 552 84.810 10.071 -0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 552 84.393 11.073 -2.171 1.00 0.00 H new ATOM 0 HE ARG A 552 85.888 8.955 -3.241 1.00 0.00 H new ATOM 0 HH11 ARG A 552 82.942 9.351 -1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 552 82.177 7.904 -2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 552 84.898 7.100 -4.096 1.00 0.00 H new ATOM 0 HH22 ARG A 552 83.281 6.634 -3.558 1.00 0.00 H new ATOM 1900 N GLY A 553 89.215 11.730 2.030 1.00 0.00 N ATOM 1901 CA GLY A 553 89.340 12.397 3.314 1.00 0.00 C ATOM 1902 C GLY A 553 88.948 11.503 4.474 1.00 0.00 C ATOM 1903 O GLY A 553 88.506 10.373 4.272 1.00 0.00 O ATOM 0 H GLY A 553 89.657 10.812 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 553 90.369 12.730 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 553 88.713 13.289 3.319 1.00 0.00 H new ATOM 1907 N THR A 554 89.109 12.010 5.694 1.00 0.00 N ATOM 1908 CA THR A 554 88.768 11.247 6.890 1.00 0.00 C ATOM 1909 C THR A 554 87.846 12.043 7.808 1.00 0.00 C ATOM 1910 O THR A 554 87.567 11.629 8.933 1.00 0.00 O ATOM 1911 CB THR A 554 90.026 10.836 7.679 1.00 0.00 C ATOM 1912 OG1 THR A 554 90.238 11.692 8.808 1.00 0.00 O ATOM 1913 CG2 THR A 554 91.262 10.889 6.797 1.00 0.00 C ATOM 0 H THR A 554 89.473 12.945 5.879 1.00 0.00 H new ATOM 0 HA THR A 554 88.253 10.348 6.550 1.00 0.00 H new ATOM 0 HB THR A 554 89.861 9.815 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 554 91.042 11.405 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 554 92.136 10.595 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 554 91.138 10.207 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 554 91.399 11.904 6.424 1.00 0.00 H new ATOM 1921 N GLU A 555 87.373 13.185 7.320 1.00 0.00 N ATOM 1922 CA GLU A 555 86.480 14.037 8.098 1.00 0.00 C ATOM 1923 C GLU A 555 85.032 13.583 7.944 1.00 0.00 C ATOM 1924 O GLU A 555 84.147 14.389 7.656 1.00 0.00 O ATOM 1925 CB GLU A 555 86.615 15.495 7.656 1.00 0.00 C ATOM 1926 CG GLU A 555 87.822 16.204 8.250 1.00 0.00 C ATOM 1927 CD GLU A 555 88.134 17.507 7.543 1.00 0.00 C ATOM 1928 OE1 GLU A 555 87.210 18.092 6.938 1.00 0.00 O ATOM 1929 OE2 GLU A 555 89.304 17.943 7.593 1.00 0.00 O ATOM 0 H GLU A 555 87.593 13.542 6.390 1.00 0.00 H new ATOM 0 HA GLU A 555 86.763 13.956 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 555 86.682 15.531 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 555 85.712 16.036 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 555 87.640 16.402 9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 555 88.690 15.547 8.194 1.00 0.00 H new ATOM 1936 N LYS A 556 84.798 12.289 8.131 1.00 0.00 N ATOM 1937 CA LYS A 556 83.457 11.731 8.006 1.00 0.00 C ATOM 1938 C LYS A 556 83.143 10.791 9.165 1.00 0.00 C ATOM 1939 O LYS A 556 84.033 10.393 9.917 1.00 0.00 O ATOM 1940 CB LYS A 556 83.316 10.985 6.678 1.00 0.00 C ATOM 1941 CG LYS A 556 84.624 10.401 6.167 1.00 0.00 C ATOM 1942 CD LYS A 556 84.523 10.008 4.702 1.00 0.00 C ATOM 1943 CE LYS A 556 85.323 10.949 3.815 1.00 0.00 C ATOM 1944 NZ LYS A 556 84.906 12.368 3.993 1.00 0.00 N ATOM 0 H LYS A 556 85.519 11.608 8.369 1.00 0.00 H new ATOM 0 HA LYS A 556 82.746 12.556 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 556 82.591 10.180 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 556 82.915 11.667 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 556 85.424 11.130 6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 556 84.891 9.527 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 556 84.885 8.988 4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 556 83.478 10.016 4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 556 86.384 10.851 4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 556 85.195 10.661 2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 85.207 12.924 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 83.871 12.417 4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 85.348 12.755 4.851 1.00 0.00 H new ATOM 1958 N LEU A 557 81.868 10.439 9.302 1.00 0.00 N ATOM 1959 CA LEU A 557 81.427 9.545 10.366 1.00 0.00 C ATOM 1960 C LEU A 557 81.673 10.163 11.739 1.00 0.00 C ATOM 1961 O LEU A 557 81.745 9.458 12.745 1.00 0.00 O ATOM 1962 CB LEU A 557 82.149 8.200 10.262 1.00 0.00 C ATOM 1963 CG LEU A 557 81.516 7.201 9.292 1.00 0.00 C ATOM 1964 CD1 LEU A 557 82.570 6.618 8.363 1.00 0.00 C ATOM 1965 CD2 LEU A 557 80.802 6.095 10.053 1.00 0.00 C ATOM 0 H LEU A 557 81.121 10.761 8.687 1.00 0.00 H new ATOM 0 HA LEU A 557 80.355 9.386 10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 557 83.179 8.380 9.954 1.00 0.00 H new ATOM 0 HB3 LEU A 557 82.187 7.747 11.253 1.00 0.00 H new ATOM 0 HG LEU A 557 80.780 7.730 8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 557 82.101 5.909 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 557 83.034 7.421 7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 557 83.331 6.105 8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 557 80.358 5.394 9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 557 81.517 5.568 10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 557 80.018 6.528 10.674 1.00 0.00 H new ATOM 1977 N ILE A 558 81.798 11.486 11.772 1.00 0.00 N ATOM 1978 CA ILE A 558 82.032 12.200 13.021 1.00 0.00 C ATOM 1979 C ILE A 558 83.396 11.856 13.610 1.00 0.00 C ATOM 1980 O ILE A 558 83.869 10.726 13.490 1.00 0.00 O ATOM 1981 CB ILE A 558 80.943 11.879 14.062 1.00 0.00 C ATOM 1982 CG1 ILE A 558 79.564 11.876 13.402 1.00 0.00 C ATOM 1983 CG2 ILE A 558 80.990 12.882 15.205 1.00 0.00 C ATOM 1984 CD1 ILE A 558 78.484 11.248 14.256 1.00 0.00 C ATOM 0 H ILE A 558 81.741 12.085 10.948 1.00 0.00 H new ATOM 0 HA ILE A 558 82.001 13.264 12.785 1.00 0.00 H new ATOM 0 HB ILE A 558 81.131 10.886 14.471 1.00 0.00 H new ATOM 0 HG12 ILE A 558 79.280 12.902 13.169 1.00 0.00 H new ATOM 0 HG13 ILE A 558 79.625 11.339 12.455 1.00 0.00 H new ATOM 0 HG21 ILE A 558 80.214 12.642 15.932 1.00 0.00 H new ATOM 0 HG22 ILE A 558 81.966 12.838 15.688 1.00 0.00 H new ATOM 0 HG23 ILE A 558 80.823 13.886 14.815 1.00 0.00 H new ATOM 0 HD11 ILE A 558 77.534 11.281 13.723 1.00 0.00 H new ATOM 0 HD12 ILE A 558 78.745 10.211 14.468 1.00 0.00 H new ATOM 0 HD13 ILE A 558 78.395 11.798 15.193 1.00 0.00 H new ATOM 1996 N THR A 559 84.020 12.838 14.252 1.00 0.00 N ATOM 1997 CA THR A 559 85.328 12.643 14.866 1.00 0.00 C ATOM 1998 C THR A 559 85.233 12.740 16.385 1.00 0.00 C ATOM 1999 O THR A 559 85.836 13.619 17.000 1.00 0.00 O ATOM 2000 CB THR A 559 86.350 13.678 14.359 1.00 0.00 C ATOM 2001 OG1 THR A 559 86.132 13.995 12.978 1.00 0.00 O ATOM 2002 CG2 THR A 559 87.771 13.161 14.518 1.00 0.00 C ATOM 0 H THR A 559 83.640 13.778 14.361 1.00 0.00 H new ATOM 0 HA THR A 559 85.667 11.646 14.584 1.00 0.00 H new ATOM 0 HB THR A 559 86.215 14.577 14.961 1.00 0.00 H new ATOM 0 HG1 THR A 559 86.794 14.655 12.685 1.00 0.00 H new ATOM 0 HG21 THR A 559 88.474 13.910 14.153 1.00 0.00 H new ATOM 0 HG22 THR A 559 87.969 12.960 15.571 1.00 0.00 H new ATOM 0 HG23 THR A 559 87.890 12.242 13.944 1.00 0.00 H new ATOM 2010 N LYS A 560 84.466 11.835 16.982 1.00 0.00 N ATOM 2011 CA LYS A 560 84.287 11.821 18.429 1.00 0.00 C ATOM 2012 C LYS A 560 84.588 10.440 19.004 1.00 0.00 C ATOM 2013 O LYS A 560 85.383 10.305 19.933 1.00 0.00 O ATOM 2014 CB LYS A 560 82.860 12.240 18.790 1.00 0.00 C ATOM 2015 CG LYS A 560 82.501 11.991 20.245 1.00 0.00 C ATOM 2016 CD LYS A 560 80.995 11.941 20.444 1.00 0.00 C ATOM 2017 CE LYS A 560 80.443 10.551 20.176 1.00 0.00 C ATOM 2018 NZ LYS A 560 78.959 10.556 20.057 1.00 0.00 N ATOM 0 H LYS A 560 83.958 11.102 16.487 1.00 0.00 H new ATOM 0 HA LYS A 560 84.988 12.533 18.864 1.00 0.00 H new ATOM 0 HB2 LYS A 560 82.735 13.300 18.570 1.00 0.00 H new ATOM 0 HB3 LYS A 560 82.160 11.698 18.154 1.00 0.00 H new ATOM 0 HG2 LYS A 560 82.944 11.052 20.575 1.00 0.00 H new ATOM 0 HG3 LYS A 560 82.926 12.780 20.866 1.00 0.00 H new ATOM 0 HD2 LYS A 560 80.752 12.240 21.464 1.00 0.00 H new ATOM 0 HD3 LYS A 560 80.515 12.659 19.779 1.00 0.00 H new ATOM 0 HE2 LYS A 560 80.879 10.158 19.258 1.00 0.00 H new ATOM 0 HE3 LYS A 560 80.740 9.881 20.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 78.622 9.589 19.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 78.541 10.907 20.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 78.676 11.175 19.271 1.00 0.00 H new ATOM 2032 N ALA A 561 83.949 9.417 18.446 1.00 0.00 N ATOM 2033 CA ALA A 561 84.154 8.049 18.907 1.00 0.00 C ATOM 2034 C ALA A 561 84.800 7.198 17.820 1.00 0.00 C ATOM 2035 O ALA A 561 84.143 6.963 16.784 1.00 0.00 O ATOM 2036 CB ALA A 561 82.841 7.422 19.353 1.00 0.00 C ATOM 2037 OXT ALA A 561 85.960 6.775 18.011 1.00 0.00 O ATOM 0 H ALA A 561 83.287 9.509 17.676 1.00 0.00 H new ATOM 0 HA ALA A 561 84.828 8.086 19.763 1.00 0.00 H new ATOM 0 HB1 ALA A 561 83.022 6.402 19.692 1.00 0.00 H new ATOM 0 HB2 ALA A 561 82.418 8.006 20.170 1.00 0.00 H new ATOM 0 HB3 ALA A 561 82.142 7.408 18.517 1.00 0.00 H new TER 2043 ALA A 561