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 532 TYR OH : rot 174:sc= -1.88! USER MOD Set 1.2: A 535 LYS NZ :NH3+ -127:sc= 0.188 (180deg=0) USER MOD Set 2.1: A 514 ASN : amide:sc= -0.463 K(o=-0.46,f=0.047) USER MOD Set 2.2: A 518 CYS SG : rot 180:sc= 0 USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 439 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.27) USER MOD Single : A 440 HIS : no HD1:sc= 0.248 K(o=0.25,f=-1.4!) USER MOD Single : A 441 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 442 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.56) USER MOD Single : A 443 HIS : no HD1:sc= -0.0915 X(o=-0.092,f=-0.0084) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 445 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 447 THR OG1 : rot 180:sc= 0 USER MOD Single : A 450 GLN : amide:sc= -0.419 K(o=-0.42,f=-3.1!) USER MOD Single : A 453 SER OG : rot 110:sc= 0.258 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot 110:sc= 0.177! 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= -2.86! C(o=-2.9!,f=-2.7!) USER MOD Single : A 474 THR OG1 : rot 44:sc= -0.448 USER MOD Single : A 479 SER OG : rot 137:sc= 0.363 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 493 CYS SG : rot -50:sc= -5.22! USER MOD Single : A 494 HIS : no HD1:sc= -2.9 K(o=-2.9,f=-4.8!) USER MOD Single : A 498 LYS NZ :NH3+ -153:sc= -0.0045 (180deg=-1.14) USER MOD Single : A 499 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 504 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 508 ASN : amide:sc= -2.33! K(o=-2.3!,f=-1.8) USER MOD Single : A 510 TYR OH : rot 130:sc= -1.06 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= -7.12! C(o=-7.1!,f=-9.2!) USER MOD Single : A 520 LYS NZ :NH3+ -121:sc= 0.192! (180deg=-1.73!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.22) USER MOD Single : A 530 GLN : amide:sc= -5.59! C(o=-5.6!,f=-13!) USER MOD Single : A 534 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.95) USER MOD Single : A 541 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 543 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.18) USER MOD Single : A 545 ASN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 546 GLN : amide:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0575) USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 132.602 8.293 -3.845 1.00 0.00 N ATOM 2 CA MET A 437 132.872 8.533 -2.402 1.00 0.00 C ATOM 3 C MET A 437 134.371 8.580 -2.125 1.00 0.00 C ATOM 4 O MET A 437 134.890 9.583 -1.633 1.00 0.00 O ATOM 5 CB MET A 437 132.219 7.415 -1.589 1.00 0.00 C ATOM 6 CG MET A 437 131.992 7.775 -0.131 1.00 0.00 C ATOM 7 SD MET A 437 130.391 7.217 0.483 1.00 0.00 S ATOM 8 CE MET A 437 130.700 5.465 0.687 1.00 0.00 C ATOM 0 HA MET A 437 132.453 9.497 -2.115 1.00 0.00 H new ATOM 0 HB2 MET A 437 131.263 7.158 -2.044 1.00 0.00 H new ATOM 0 HB3 MET A 437 132.847 6.525 -1.641 1.00 0.00 H new ATOM 0 HG2 MET A 437 132.783 7.333 0.475 1.00 0.00 H new ATOM 0 HG3 MET A 437 132.065 8.856 -0.012 1.00 0.00 H new ATOM 0 HE1 MET A 437 129.800 4.978 1.062 1.00 0.00 H new ATOM 0 HE2 MET A 437 130.974 5.030 -0.274 1.00 0.00 H new ATOM 0 HE3 MET A 437 131.514 5.319 1.397 1.00 0.00 H new ATOM 20 N HIS A 438 135.062 7.491 -2.444 1.00 0.00 N ATOM 21 CA HIS A 438 136.501 7.412 -2.230 1.00 0.00 C ATOM 22 C HIS A 438 137.257 8.037 -3.397 1.00 0.00 C ATOM 23 O HIS A 438 136.681 8.770 -4.202 1.00 0.00 O ATOM 24 CB HIS A 438 136.934 5.956 -2.047 1.00 0.00 C ATOM 25 CG HIS A 438 137.672 5.709 -0.767 1.00 0.00 C ATOM 26 ND1 HIS A 438 139.030 5.474 -0.714 1.00 0.00 N ATOM 27 CD2 HIS A 438 137.234 5.663 0.513 1.00 0.00 C ATOM 28 CE1 HIS A 438 139.395 5.293 0.544 1.00 0.00 C ATOM 29 NE2 HIS A 438 138.323 5.404 1.307 1.00 0.00 N ATOM 0 H HIS A 438 134.649 6.652 -2.851 1.00 0.00 H new ATOM 0 HA HIS A 438 136.740 7.969 -1.324 1.00 0.00 H new ATOM 0 HB2 HIS A 438 136.052 5.316 -2.078 1.00 0.00 H new ATOM 0 HB3 HIS A 438 137.568 5.666 -2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 438 136.217 5.804 0.847 1.00 0.00 H new ATOM 0 HE1 HIS A 438 140.398 5.089 0.888 1.00 0.00 H new ATOM 0 HE2 HIS A 438 138.307 5.312 2.323 1.00 0.00 H new ATOM 38 N HIS A 439 138.551 7.744 -3.482 1.00 0.00 N ATOM 39 CA HIS A 439 139.386 8.281 -4.551 1.00 0.00 C ATOM 40 C HIS A 439 138.641 8.275 -5.881 1.00 0.00 C ATOM 41 O HIS A 439 138.475 9.316 -6.514 1.00 0.00 O ATOM 42 CB HIS A 439 140.678 7.471 -4.676 1.00 0.00 C ATOM 43 CG HIS A 439 141.881 8.309 -4.982 1.00 0.00 C ATOM 44 ND1 HIS A 439 141.798 9.584 -5.500 1.00 0.00 N ATOM 45 CD2 HIS A 439 143.202 8.047 -4.841 1.00 0.00 C ATOM 46 CE1 HIS A 439 143.016 10.070 -5.667 1.00 0.00 C ATOM 47 NE2 HIS A 439 143.884 9.157 -5.274 1.00 0.00 N ATOM 0 H HIS A 439 139.043 7.139 -2.825 1.00 0.00 H new ATOM 0 HA HIS A 439 139.634 9.312 -4.298 1.00 0.00 H new ATOM 0 HB2 HIS A 439 140.849 6.929 -3.746 1.00 0.00 H new ATOM 0 HB3 HIS A 439 140.555 6.725 -5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 439 143.638 7.135 -4.459 1.00 0.00 H new ATOM 0 HE1 HIS A 439 143.259 11.047 -6.058 1.00 0.00 H new ATOM 0 HE2 HIS A 439 144.899 9.260 -5.289 1.00 0.00 H new ATOM 56 N HIS A 440 138.196 7.095 -6.299 1.00 0.00 N ATOM 57 CA HIS A 440 137.468 6.955 -7.556 1.00 0.00 C ATOM 58 C HIS A 440 135.965 6.869 -7.308 1.00 0.00 C ATOM 59 O HIS A 440 135.526 6.533 -6.210 1.00 0.00 O ATOM 60 CB HIS A 440 137.943 5.711 -8.316 1.00 0.00 C ATOM 61 CG HIS A 440 139.075 4.991 -7.649 1.00 0.00 C ATOM 62 ND1 HIS A 440 138.908 4.197 -6.535 1.00 0.00 N ATOM 63 CD2 HIS A 440 140.396 4.951 -7.943 1.00 0.00 C ATOM 64 CE1 HIS A 440 140.077 3.700 -6.171 1.00 0.00 C ATOM 65 NE2 HIS A 440 140.996 4.142 -7.010 1.00 0.00 N ATOM 0 H HIS A 440 138.326 6.222 -5.787 1.00 0.00 H new ATOM 0 HA HIS A 440 137.670 7.839 -8.161 1.00 0.00 H new ATOM 0 HB2 HIS A 440 137.104 5.024 -8.430 1.00 0.00 H new ATOM 0 HB3 HIS A 440 138.252 6.005 -9.319 1.00 0.00 H new ATOM 0 HD2 HIS A 440 140.886 5.461 -8.759 1.00 0.00 H new ATOM 0 HE1 HIS A 440 140.251 3.044 -5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 440 141.990 3.919 -6.971 1.00 0.00 H new ATOM 74 N HIS A 441 135.182 7.178 -8.337 1.00 0.00 N ATOM 75 CA HIS A 441 133.728 7.136 -8.229 1.00 0.00 C ATOM 76 C HIS A 441 133.183 5.809 -8.747 1.00 0.00 C ATOM 77 O HIS A 441 132.315 5.783 -9.620 1.00 0.00 O ATOM 78 CB HIS A 441 133.105 8.299 -9.003 1.00 0.00 C ATOM 79 CG HIS A 441 132.264 9.200 -8.153 1.00 0.00 C ATOM 80 ND1 HIS A 441 130.910 9.015 -7.971 1.00 0.00 N ATOM 81 CD2 HIS A 441 132.593 10.297 -7.429 1.00 0.00 C ATOM 82 CE1 HIS A 441 130.442 9.959 -7.172 1.00 0.00 C ATOM 83 NE2 HIS A 441 131.443 10.747 -6.830 1.00 0.00 N ATOM 0 H HIS A 441 135.529 7.460 -9.254 1.00 0.00 H new ATOM 0 HA HIS A 441 133.462 7.229 -7.176 1.00 0.00 H new ATOM 0 HB2 HIS A 441 133.900 8.885 -9.464 1.00 0.00 H new ATOM 0 HB3 HIS A 441 132.493 7.900 -9.812 1.00 0.00 H new ATOM 0 HD2 HIS A 441 133.576 10.735 -7.340 1.00 0.00 H new ATOM 0 HE1 HIS A 441 129.416 10.066 -6.854 1.00 0.00 H new ATOM 0 HE2 HIS A 441 131.374 11.560 -6.218 1.00 0.00 H new ATOM 92 N HIS A 442 133.696 4.712 -8.202 1.00 0.00 N ATOM 93 CA HIS A 442 133.260 3.382 -8.610 1.00 0.00 C ATOM 94 C HIS A 442 131.898 3.047 -8.008 1.00 0.00 C ATOM 95 O HIS A 442 131.048 2.450 -8.669 1.00 0.00 O ATOM 96 CB HIS A 442 134.289 2.334 -8.184 1.00 0.00 C ATOM 97 CG HIS A 442 134.253 1.088 -9.011 1.00 0.00 C ATOM 98 ND1 HIS A 442 133.536 0.985 -10.185 1.00 0.00 N ATOM 99 CD2 HIS A 442 134.848 -0.114 -8.829 1.00 0.00 C ATOM 100 CE1 HIS A 442 133.689 -0.227 -10.687 1.00 0.00 C ATOM 101 NE2 HIS A 442 134.482 -0.913 -9.884 1.00 0.00 N ATOM 0 H HIS A 442 134.414 4.717 -7.477 1.00 0.00 H new ATOM 0 HA HIS A 442 133.169 3.373 -9.696 1.00 0.00 H new ATOM 0 HB2 HIS A 442 135.286 2.771 -8.243 1.00 0.00 H new ATOM 0 HB3 HIS A 442 134.118 2.072 -7.140 1.00 0.00 H new ATOM 0 HD2 HIS A 442 135.491 -0.393 -8.007 1.00 0.00 H new ATOM 0 HE1 HIS A 442 133.242 -0.594 -11.599 1.00 0.00 H new ATOM 0 HE2 HIS A 442 134.775 -1.880 -10.025 1.00 0.00 H new ATOM 110 N HIS A 443 131.699 3.432 -6.753 1.00 0.00 N ATOM 111 CA HIS A 443 130.441 3.170 -6.063 1.00 0.00 C ATOM 112 C HIS A 443 129.308 4.003 -6.655 1.00 0.00 C ATOM 113 O HIS A 443 129.546 4.978 -7.368 1.00 0.00 O ATOM 114 CB HIS A 443 130.583 3.466 -4.568 1.00 0.00 C ATOM 115 CG HIS A 443 130.050 2.375 -3.694 1.00 0.00 C ATOM 116 ND1 HIS A 443 129.142 2.596 -2.680 1.00 0.00 N ATOM 117 CD2 HIS A 443 130.301 1.044 -3.687 1.00 0.00 C ATOM 118 CE1 HIS A 443 128.857 1.449 -2.088 1.00 0.00 C ATOM 119 NE2 HIS A 443 129.546 0.492 -2.681 1.00 0.00 N ATOM 0 H HIS A 443 132.393 3.927 -6.192 1.00 0.00 H new ATOM 0 HA HIS A 443 130.197 2.116 -6.196 1.00 0.00 H new ATOM 0 HB2 HIS A 443 131.636 3.627 -4.335 1.00 0.00 H new ATOM 0 HB3 HIS A 443 130.060 4.394 -4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 443 130.970 0.515 -4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 443 128.176 1.317 -1.260 1.00 0.00 H new ATOM 0 HE2 HIS A 443 129.522 -0.497 -2.433 1.00 0.00 H new ATOM 128 N SER A 444 128.075 3.610 -6.350 1.00 0.00 N ATOM 129 CA SER A 444 126.900 4.315 -6.848 1.00 0.00 C ATOM 130 C SER A 444 126.686 4.042 -8.334 1.00 0.00 C ATOM 131 O SER A 444 127.635 4.032 -9.118 1.00 0.00 O ATOM 132 CB SER A 444 127.041 5.819 -6.609 1.00 0.00 C ATOM 133 OG SER A 444 125.794 6.479 -6.756 1.00 0.00 O ATOM 0 H SER A 444 127.864 2.806 -5.759 1.00 0.00 H new ATOM 0 HA SER A 444 126.031 3.947 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 444 127.434 5.996 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 444 127.762 6.236 -7.312 1.00 0.00 H new ATOM 0 HG SER A 444 125.911 7.439 -6.596 1.00 0.00 H new ATOM 139 N ASN A 445 125.432 3.818 -8.712 1.00 0.00 N ATOM 140 CA ASN A 445 125.089 3.545 -10.102 1.00 0.00 C ATOM 141 C ASN A 445 123.988 4.485 -10.582 1.00 0.00 C ATOM 142 O ASN A 445 123.486 5.309 -9.817 1.00 0.00 O ATOM 143 CB ASN A 445 124.640 2.091 -10.261 1.00 0.00 C ATOM 144 CG ASN A 445 125.750 1.194 -10.773 1.00 0.00 C ATOM 145 OD1 ASN A 445 126.225 1.356 -11.898 1.00 0.00 O ATOM 146 ND2 ASN A 445 126.170 0.242 -9.949 1.00 0.00 N ATOM 0 H ASN A 445 124.636 3.820 -8.074 1.00 0.00 H new ATOM 0 HA ASN A 445 125.977 3.712 -10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 445 124.288 1.716 -9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 445 123.796 2.048 -10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 445 126.915 -0.392 -10.239 1.00 0.00 H new ATOM 0 HD22 ASN A 445 125.748 0.144 -9.026 1.00 0.00 H new ATOM 153 N ALA A 446 123.613 4.354 -11.851 1.00 0.00 N ATOM 154 CA ALA A 446 122.568 5.193 -12.427 1.00 0.00 C ATOM 155 C ALA A 446 121.238 4.451 -12.474 1.00 0.00 C ATOM 156 O ALA A 446 120.824 3.963 -13.525 1.00 0.00 O ATOM 157 CB ALA A 446 122.957 5.668 -13.820 1.00 0.00 C ATOM 0 H ALA A 446 124.016 3.677 -12.498 1.00 0.00 H new ATOM 0 HA ALA A 446 122.453 6.067 -11.785 1.00 0.00 H new ATOM 0 HB1 ALA A 446 122.161 6.292 -14.227 1.00 0.00 H new ATOM 0 HB2 ALA A 446 123.879 6.247 -13.763 1.00 0.00 H new ATOM 0 HB3 ALA A 446 123.110 4.806 -14.469 1.00 0.00 H new ATOM 163 N THR A 447 120.573 4.368 -11.326 1.00 0.00 N ATOM 164 CA THR A 447 119.289 3.685 -11.234 1.00 0.00 C ATOM 165 C THR A 447 118.207 4.615 -10.693 1.00 0.00 C ATOM 166 O THR A 447 118.472 5.460 -9.837 1.00 0.00 O ATOM 167 CB THR A 447 119.379 2.441 -10.330 1.00 0.00 C ATOM 168 OG1 THR A 447 120.727 1.954 -10.248 1.00 0.00 O ATOM 169 CG2 THR A 447 118.491 1.324 -10.857 1.00 0.00 C ATOM 0 H THR A 447 120.903 4.766 -10.447 1.00 0.00 H new ATOM 0 HA THR A 447 119.024 3.374 -12.244 1.00 0.00 H new ATOM 0 HB THR A 447 119.043 2.742 -9.338 1.00 0.00 H new ATOM 0 HG1 THR A 447 120.755 1.165 -9.667 1.00 0.00 H new ATOM 0 HG21 THR A 447 118.571 0.456 -10.202 1.00 0.00 H new ATOM 0 HG22 THR A 447 117.456 1.664 -10.884 1.00 0.00 H new ATOM 0 HG23 THR A 447 118.809 1.050 -11.863 1.00 0.00 H new ATOM 177 N GLY A 448 116.990 4.456 -11.201 1.00 0.00 N ATOM 178 CA GLY A 448 115.886 5.290 -10.760 1.00 0.00 C ATOM 179 C GLY A 448 115.217 4.761 -9.506 1.00 0.00 C ATOM 180 O GLY A 448 115.860 4.624 -8.465 1.00 0.00 O ATOM 0 H GLY A 448 116.748 3.764 -11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 448 116.251 6.300 -10.574 1.00 0.00 H new ATOM 0 HA3 GLY A 448 115.148 5.360 -11.559 1.00 0.00 H new ATOM 184 N PRO A 449 113.913 4.455 -9.578 1.00 0.00 N ATOM 185 CA PRO A 449 113.149 3.937 -8.435 1.00 0.00 C ATOM 186 C PRO A 449 113.663 2.584 -7.953 1.00 0.00 C ATOM 187 O PRO A 449 114.027 1.725 -8.756 1.00 0.00 O ATOM 188 CB PRO A 449 111.726 3.799 -8.987 1.00 0.00 C ATOM 189 CG PRO A 449 111.895 3.725 -10.466 1.00 0.00 C ATOM 190 CD PRO A 449 113.079 4.591 -10.781 1.00 0.00 C ATOM 0 HA PRO A 449 113.224 4.595 -7.569 1.00 0.00 H new ATOM 0 HB2 PRO A 449 111.237 2.905 -8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 449 111.107 4.650 -8.702 1.00 0.00 H new ATOM 0 HG2 PRO A 449 112.063 2.698 -10.790 1.00 0.00 H new ATOM 0 HG3 PRO A 449 111.002 4.080 -10.981 1.00 0.00 H new ATOM 0 HD2 PRO A 449 113.601 4.252 -11.675 1.00 0.00 H new ATOM 0 HD3 PRO A 449 112.787 5.627 -10.956 1.00 0.00 H new ATOM 198 N GLN A 450 113.682 2.400 -6.637 1.00 0.00 N ATOM 199 CA GLN A 450 114.143 1.149 -6.044 1.00 0.00 C ATOM 200 C GLN A 450 113.360 0.833 -4.775 1.00 0.00 C ATOM 201 O GLN A 450 113.909 0.851 -3.674 1.00 0.00 O ATOM 202 CB GLN A 450 115.638 1.226 -5.733 1.00 0.00 C ATOM 203 CG GLN A 450 116.510 0.502 -6.745 1.00 0.00 C ATOM 204 CD GLN A 450 116.383 -1.006 -6.651 1.00 0.00 C ATOM 205 OE1 GLN A 450 115.320 -1.569 -6.909 1.00 0.00 O ATOM 206 NE2 GLN A 450 117.472 -1.669 -6.276 1.00 0.00 N ATOM 0 H GLN A 450 113.383 3.102 -5.960 1.00 0.00 H new ATOM 0 HA GLN A 450 113.974 0.348 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 450 115.938 2.273 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 450 115.817 0.803 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 450 116.237 0.824 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 450 117.551 0.786 -6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 450 118.333 -1.162 -6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 450 117.447 -2.685 -6.193 1.00 0.00 H new ATOM 215 N PHE A 451 112.071 0.550 -4.936 1.00 0.00 N ATOM 216 CA PHE A 451 111.209 0.235 -3.803 1.00 0.00 C ATOM 217 C PHE A 451 111.813 -0.867 -2.941 1.00 0.00 C ATOM 218 O PHE A 451 112.290 -1.879 -3.453 1.00 0.00 O ATOM 219 CB PHE A 451 109.816 -0.180 -4.287 1.00 0.00 C ATOM 220 CG PHE A 451 109.774 -1.521 -4.968 1.00 0.00 C ATOM 221 CD1 PHE A 451 109.492 -1.614 -6.322 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.004 -2.690 -4.255 1.00 0.00 C ATOM 223 CE1 PHE A 451 109.441 -2.843 -6.953 1.00 0.00 C ATOM 224 CE2 PHE A 451 109.955 -3.921 -4.881 1.00 0.00 C ATOM 225 CZ PHE A 451 109.673 -3.998 -6.232 1.00 0.00 C ATOM 0 H PHE A 451 111.601 0.532 -5.841 1.00 0.00 H new ATOM 0 HA PHE A 451 111.119 1.134 -3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 451 109.137 -0.197 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 451 109.443 0.577 -4.977 1.00 0.00 H new ATOM 0 HD1 PHE A 451 109.310 -0.715 -6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.224 -2.637 -3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 451 109.220 -2.900 -8.009 1.00 0.00 H new ATOM 0 HE2 PHE A 451 110.137 -4.823 -4.315 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.634 -4.959 -6.723 1.00 0.00 H new ATOM 235 N VAL A 452 111.788 -0.665 -1.627 1.00 0.00 N ATOM 236 CA VAL A 452 112.329 -1.649 -0.699 1.00 0.00 C ATOM 237 C VAL A 452 111.496 -2.926 -0.735 1.00 0.00 C ATOM 238 O VAL A 452 110.341 -2.945 -0.311 1.00 0.00 O ATOM 239 CB VAL A 452 112.381 -1.101 0.737 1.00 0.00 C ATOM 240 CG1 VAL A 452 111.020 -0.573 1.160 1.00 0.00 C ATOM 241 CG2 VAL A 452 112.874 -2.174 1.697 1.00 0.00 C ATOM 0 H VAL A 452 111.400 0.168 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 452 113.348 -1.873 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 452 113.086 -0.270 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 452 111.079 -0.190 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 452 110.716 0.229 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 452 110.288 -1.379 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 452 112.905 -1.770 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 452 112.197 -3.028 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 452 113.874 -2.494 1.403 1.00 0.00 H new ATOM 251 N SER A 453 112.090 -3.980 -1.273 1.00 0.00 N ATOM 252 CA SER A 453 111.426 -5.272 -1.413 1.00 0.00 C ATOM 253 C SER A 453 111.026 -5.889 -0.071 1.00 0.00 C ATOM 254 O SER A 453 111.744 -5.781 0.923 1.00 0.00 O ATOM 255 CB SER A 453 112.328 -6.239 -2.178 1.00 0.00 C ATOM 256 OG SER A 453 112.805 -7.273 -1.334 1.00 0.00 O ATOM 0 H SER A 453 113.047 -3.966 -1.626 1.00 0.00 H new ATOM 0 HA SER A 453 110.505 -5.095 -1.968 1.00 0.00 H new ATOM 0 HB2 SER A 453 111.776 -6.673 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 453 113.171 -5.695 -2.603 1.00 0.00 H new ATOM 0 HG SER A 453 112.386 -8.122 -1.587 1.00 0.00 H new ATOM 262 N GLY A 454 109.875 -6.563 -0.078 1.00 0.00 N ATOM 263 CA GLY A 454 109.369 -7.235 1.110 1.00 0.00 C ATOM 264 C GLY A 454 108.986 -6.316 2.260 1.00 0.00 C ATOM 265 O GLY A 454 109.070 -6.714 3.421 1.00 0.00 O ATOM 0 H GLY A 454 109.277 -6.656 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 454 108.496 -7.824 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 454 110.126 -7.935 1.462 1.00 0.00 H new ATOM 269 N VAL A 455 108.541 -5.101 1.952 1.00 0.00 N ATOM 270 CA VAL A 455 108.122 -4.168 2.991 1.00 0.00 C ATOM 271 C VAL A 455 106.619 -3.916 2.916 1.00 0.00 C ATOM 272 O VAL A 455 106.065 -3.157 3.709 1.00 0.00 O ATOM 273 CB VAL A 455 108.865 -2.826 2.882 1.00 0.00 C ATOM 274 CG1 VAL A 455 110.359 -3.058 2.768 1.00 0.00 C ATOM 275 CG2 VAL A 455 108.350 -2.024 1.697 1.00 0.00 C ATOM 0 H VAL A 455 108.462 -4.743 1.000 1.00 0.00 H new ATOM 0 HA VAL A 455 108.369 -4.626 3.949 1.00 0.00 H new ATOM 0 HB VAL A 455 108.676 -2.250 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 455 110.871 -2.099 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 455 110.713 -3.589 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.568 -3.653 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 455 108.888 -1.078 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 455 108.507 -2.590 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 455 107.285 -1.829 1.825 1.00 0.00 H new ATOM 285 N ILE A 456 105.961 -4.563 1.956 1.00 0.00 N ATOM 286 CA ILE A 456 104.525 -4.412 1.779 1.00 0.00 C ATOM 287 C ILE A 456 103.760 -5.432 2.609 1.00 0.00 C ATOM 288 O ILE A 456 103.509 -6.552 2.165 1.00 0.00 O ATOM 289 CB ILE A 456 104.120 -4.564 0.304 1.00 0.00 C ATOM 290 CG1 ILE A 456 104.787 -3.481 -0.542 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.610 -4.497 0.161 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.952 -2.161 0.179 1.00 0.00 C ATOM 0 H ILE A 456 106.403 -5.197 1.290 1.00 0.00 H new ATOM 0 HA ILE A 456 104.271 -3.407 2.116 1.00 0.00 H new ATOM 0 HB ILE A 456 104.457 -5.538 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 456 105.767 -3.835 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.196 -3.321 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.339 -4.606 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.154 -5.301 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.252 -3.536 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.432 -1.442 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.973 -1.784 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.569 -2.305 1.066 1.00 0.00 H new ATOM 304 N VAL A 457 103.407 -5.034 3.820 1.00 0.00 N ATOM 305 CA VAL A 457 102.681 -5.905 4.736 1.00 0.00 C ATOM 306 C VAL A 457 101.191 -5.945 4.406 1.00 0.00 C ATOM 307 O VAL A 457 100.464 -4.984 4.655 1.00 0.00 O ATOM 308 CB VAL A 457 102.867 -5.451 6.199 1.00 0.00 C ATOM 309 CG1 VAL A 457 101.842 -6.113 7.110 1.00 0.00 C ATOM 310 CG2 VAL A 457 104.280 -5.754 6.672 1.00 0.00 C ATOM 0 H VAL A 457 103.612 -4.108 4.195 1.00 0.00 H new ATOM 0 HA VAL A 457 103.094 -6.906 4.616 1.00 0.00 H new ATOM 0 HB VAL A 457 102.710 -4.373 6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 457 101.995 -5.776 8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 457 100.838 -5.842 6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 457 101.959 -7.196 7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 457 104.395 -5.428 7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 457 104.463 -6.827 6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 457 104.996 -5.225 6.043 1.00 0.00 H new ATOM 320 N LYS A 458 100.742 -7.070 3.855 1.00 0.00 N ATOM 321 CA LYS A 458 99.336 -7.240 3.504 1.00 0.00 C ATOM 322 C LYS A 458 98.500 -7.477 4.757 1.00 0.00 C ATOM 323 O LYS A 458 98.727 -8.437 5.495 1.00 0.00 O ATOM 324 CB LYS A 458 99.164 -8.410 2.533 1.00 0.00 C ATOM 325 CG LYS A 458 97.728 -8.612 2.078 1.00 0.00 C ATOM 326 CD LYS A 458 97.631 -9.657 0.978 1.00 0.00 C ATOM 327 CE LYS A 458 96.184 -9.947 0.612 1.00 0.00 C ATOM 328 NZ LYS A 458 96.028 -11.280 -0.033 1.00 0.00 N ATOM 0 H LYS A 458 101.331 -7.875 3.643 1.00 0.00 H new ATOM 0 HA LYS A 458 98.992 -6.327 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.794 -8.243 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 458 99.518 -9.324 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.117 -8.919 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.323 -7.666 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.168 -9.309 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.116 -10.577 1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 458 95.567 -9.904 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 458 95.819 -9.173 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.027 -11.438 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.596 -11.313 -0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.352 -12.022 0.620 1.00 0.00 H new ATOM 342 N ILE A 459 97.520 -6.609 4.982 1.00 0.00 N ATOM 343 CA ILE A 459 96.639 -6.738 6.135 1.00 0.00 C ATOM 344 C ILE A 459 95.210 -7.054 5.712 1.00 0.00 C ATOM 345 O ILE A 459 94.593 -6.307 4.952 1.00 0.00 O ATOM 346 CB ILE A 459 96.634 -5.474 7.015 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.064 -4.979 7.245 1.00 0.00 C ATOM 348 CG2 ILE A 459 95.946 -5.764 8.345 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.195 -4.030 8.416 1.00 0.00 C ATOM 0 H ILE A 459 97.316 -5.810 4.382 1.00 0.00 H new ATOM 0 HA ILE A 459 97.036 -7.566 6.722 1.00 0.00 H new ATOM 0 HB ILE A 459 96.079 -4.690 6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 459 98.715 -5.838 7.409 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.417 -4.480 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 459 95.948 -4.864 8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 459 94.918 -6.076 8.162 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.480 -6.559 8.865 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.235 -3.721 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.571 -3.153 8.245 1.00 0.00 H new ATOM 0 HD13 ILE A 459 97.874 -4.532 9.329 1.00 0.00 H new ATOM 361 N ILE A 460 94.686 -8.149 6.235 1.00 0.00 N ATOM 362 CA ILE A 460 93.320 -8.556 5.947 1.00 0.00 C ATOM 363 C ILE A 460 92.600 -8.924 7.237 1.00 0.00 C ATOM 364 O ILE A 460 93.165 -9.592 8.102 1.00 0.00 O ATOM 365 CB ILE A 460 93.259 -9.741 4.961 1.00 0.00 C ATOM 366 CG1 ILE A 460 91.843 -9.892 4.403 1.00 0.00 C ATOM 367 CG2 ILE A 460 93.709 -11.027 5.635 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.263 -8.599 3.874 1.00 0.00 C ATOM 0 H ILE A 460 95.188 -8.775 6.864 1.00 0.00 H new ATOM 0 HA ILE A 460 92.824 -7.708 5.475 1.00 0.00 H new ATOM 0 HB ILE A 460 93.939 -9.537 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 460 91.853 -10.631 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 460 91.192 -10.280 5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 460 93.658 -11.849 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 460 94.735 -10.914 5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.057 -11.241 6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.257 -8.780 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.221 -7.864 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.892 -8.220 3.069 1.00 0.00 H new ATOM 380 N SER A 461 91.361 -8.482 7.373 1.00 0.00 N ATOM 381 CA SER A 461 90.589 -8.774 8.571 1.00 0.00 C ATOM 382 C SER A 461 89.254 -9.408 8.219 1.00 0.00 C ATOM 383 O SER A 461 89.073 -9.944 7.125 1.00 0.00 O ATOM 384 CB SER A 461 90.359 -7.501 9.385 1.00 0.00 C ATOM 385 OG SER A 461 89.621 -7.776 10.563 1.00 0.00 O ATOM 0 H SER A 461 90.870 -7.924 6.675 1.00 0.00 H new ATOM 0 HA SER A 461 91.161 -9.482 9.171 1.00 0.00 H new ATOM 0 HB2 SER A 461 91.318 -7.056 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 461 89.824 -6.770 8.779 1.00 0.00 H new ATOM 0 HG SER A 461 90.204 -7.677 11.345 1.00 0.00 H new ATOM 391 N THR A 462 88.323 -9.342 9.159 1.00 0.00 N ATOM 392 CA THR A 462 86.995 -9.910 8.962 1.00 0.00 C ATOM 393 C THR A 462 85.919 -9.014 9.565 1.00 0.00 C ATOM 394 O THR A 462 84.759 -9.410 9.676 1.00 0.00 O ATOM 395 CB THR A 462 86.887 -11.315 9.585 1.00 0.00 C ATOM 396 OG1 THR A 462 87.323 -11.316 10.951 1.00 0.00 O ATOM 397 CG2 THR A 462 87.729 -12.318 8.812 1.00 0.00 C ATOM 0 H THR A 462 88.462 -8.900 10.068 1.00 0.00 H new ATOM 0 HA THR A 462 86.839 -9.985 7.886 1.00 0.00 H new ATOM 0 HB THR A 462 85.836 -11.600 9.540 1.00 0.00 H new ATOM 0 HG1 THR A 462 87.241 -12.220 11.320 1.00 0.00 H new ATOM 0 HG21 THR A 462 87.636 -13.302 9.272 1.00 0.00 H new ATOM 0 HG22 THR A 462 87.382 -12.365 7.780 1.00 0.00 H new ATOM 0 HG23 THR A 462 88.773 -12.007 8.830 1.00 0.00 H new ATOM 405 N GLU A 463 86.313 -7.804 9.952 1.00 0.00 N ATOM 406 CA GLU A 463 85.383 -6.848 10.544 1.00 0.00 C ATOM 407 C GLU A 463 86.132 -5.798 11.359 1.00 0.00 C ATOM 408 O GLU A 463 85.996 -4.599 11.118 1.00 0.00 O ATOM 409 CB GLU A 463 84.363 -7.576 11.427 1.00 0.00 C ATOM 410 CG GLU A 463 83.661 -6.677 12.435 1.00 0.00 C ATOM 411 CD GLU A 463 82.529 -5.881 11.816 1.00 0.00 C ATOM 412 OE1 GLU A 463 82.808 -4.824 11.211 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.365 -6.316 11.933 1.00 0.00 O ATOM 0 H GLU A 463 87.270 -7.462 9.866 1.00 0.00 H new ATOM 0 HA GLU A 463 84.853 -6.342 9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 463 83.613 -8.043 10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 463 84.870 -8.379 11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.269 -7.287 13.249 1.00 0.00 H new ATOM 0 HG3 GLU A 463 84.387 -5.991 12.872 1.00 0.00 H new ATOM 420 N PRO A 464 86.936 -6.242 12.337 1.00 0.00 N ATOM 421 CA PRO A 464 87.710 -5.349 13.193 1.00 0.00 C ATOM 422 C PRO A 464 88.237 -4.128 12.447 1.00 0.00 C ATOM 423 O PRO A 464 88.066 -2.996 12.900 1.00 0.00 O ATOM 424 CB PRO A 464 88.862 -6.240 13.647 1.00 0.00 C ATOM 425 CG PRO A 464 88.286 -7.617 13.690 1.00 0.00 C ATOM 426 CD PRO A 464 87.155 -7.657 12.687 1.00 0.00 C ATOM 0 HA PRO A 464 87.114 -4.936 14.007 1.00 0.00 H new ATOM 0 HB2 PRO A 464 89.702 -6.184 12.954 1.00 0.00 H new ATOM 0 HB3 PRO A 464 89.235 -5.937 14.625 1.00 0.00 H new ATOM 0 HG2 PRO A 464 89.045 -8.360 13.445 1.00 0.00 H new ATOM 0 HG3 PRO A 464 87.922 -7.851 14.690 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.420 -8.248 11.810 1.00 0.00 H new ATOM 0 HD3 PRO A 464 86.258 -8.105 13.115 1.00 0.00 H new ATOM 434 N LEU A 465 88.879 -4.369 11.303 1.00 0.00 N ATOM 435 CA LEU A 465 89.438 -3.292 10.488 1.00 0.00 C ATOM 436 C LEU A 465 88.612 -2.017 10.624 1.00 0.00 C ATOM 437 O LEU A 465 87.635 -1.812 9.904 1.00 0.00 O ATOM 438 CB LEU A 465 89.512 -3.717 9.020 1.00 0.00 C ATOM 439 CG LEU A 465 90.899 -3.595 8.383 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.173 -4.778 7.467 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.022 -2.287 7.617 1.00 0.00 C ATOM 0 H LEU A 465 89.024 -5.303 10.920 1.00 0.00 H new ATOM 0 HA LEU A 465 90.446 -3.086 10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.181 -4.752 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.810 -3.112 8.446 1.00 0.00 H new ATOM 0 HG LEU A 465 91.643 -3.598 9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.163 -4.673 7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.129 -5.702 8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.423 -4.808 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.014 -2.218 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.268 -2.254 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 465 90.872 -1.450 8.299 1.00 0.00 H new ATOM 453 N PRO A 466 89.000 -1.152 11.570 1.00 0.00 N ATOM 454 CA PRO A 466 88.302 0.113 11.837 1.00 0.00 C ATOM 455 C PRO A 466 88.469 1.133 10.716 1.00 0.00 C ATOM 456 O PRO A 466 87.529 1.856 10.380 1.00 0.00 O ATOM 457 CB PRO A 466 88.973 0.619 13.115 1.00 0.00 C ATOM 458 CG PRO A 466 90.327 -0.001 13.100 1.00 0.00 C ATOM 459 CD PRO A 466 90.151 -1.349 12.467 1.00 0.00 C ATOM 0 HA PRO A 466 87.225 -0.033 11.923 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.036 1.707 13.126 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.412 0.323 14.001 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.030 0.609 12.533 1.00 0.00 H new ATOM 0 HG3 PRO A 466 90.727 -0.092 14.110 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.041 -1.655 11.918 1.00 0.00 H new ATOM 0 HD3 PRO A 466 89.954 -2.121 13.211 1.00 0.00 H new ATOM 467 N GLY A 467 89.664 1.192 10.143 1.00 0.00 N ATOM 468 CA GLY A 467 89.921 2.135 9.069 1.00 0.00 C ATOM 469 C GLY A 467 91.399 2.394 8.864 1.00 0.00 C ATOM 470 O GLY A 467 92.236 1.876 9.603 1.00 0.00 O ATOM 0 H GLY A 467 90.458 0.606 10.401 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.491 1.752 8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.418 3.077 9.289 1.00 0.00 H new ATOM 474 N ARG A 468 91.723 3.202 7.860 1.00 0.00 N ATOM 475 CA ARG A 468 93.111 3.531 7.563 1.00 0.00 C ATOM 476 C ARG A 468 93.772 4.246 8.739 1.00 0.00 C ATOM 477 O ARG A 468 94.917 3.957 9.088 1.00 0.00 O ATOM 478 CB ARG A 468 93.184 4.411 6.315 1.00 0.00 C ATOM 479 CG ARG A 468 92.699 5.833 6.551 1.00 0.00 C ATOM 480 CD ARG A 468 92.445 6.562 5.243 1.00 0.00 C ATOM 481 NE ARG A 468 91.318 7.484 5.341 1.00 0.00 N ATOM 482 CZ ARG A 468 91.420 8.724 5.806 1.00 0.00 C ATOM 483 NH1 ARG A 468 92.595 9.191 6.207 1.00 0.00 N ATOM 484 NH2 ARG A 468 90.348 9.501 5.869 1.00 0.00 N ATOM 0 H ARG A 468 91.043 3.641 7.239 1.00 0.00 H new ATOM 0 HA ARG A 468 93.648 2.600 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.214 4.440 5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 468 92.587 3.958 5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.782 5.812 7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 468 93.441 6.379 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 468 93.340 7.113 4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 468 92.251 5.835 4.454 1.00 0.00 H new ATOM 0 HE ARG A 468 90.401 7.158 5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 468 93.423 8.597 6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 468 92.670 10.144 6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 468 89.443 9.147 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 468 90.428 10.453 6.226 1.00 0.00 H new ATOM 498 N LYS A 469 93.044 5.181 9.342 1.00 0.00 N ATOM 499 CA LYS A 469 93.561 5.943 10.478 1.00 0.00 C ATOM 500 C LYS A 469 93.845 5.037 11.672 1.00 0.00 C ATOM 501 O LYS A 469 94.882 5.161 12.325 1.00 0.00 O ATOM 502 CB LYS A 469 92.568 7.037 10.880 1.00 0.00 C ATOM 503 CG LYS A 469 91.376 6.523 11.672 1.00 0.00 C ATOM 504 CD LYS A 469 90.266 7.560 11.743 1.00 0.00 C ATOM 505 CE LYS A 469 88.900 6.909 11.900 1.00 0.00 C ATOM 506 NZ LYS A 469 87.971 7.751 12.705 1.00 0.00 N ATOM 0 H LYS A 469 92.095 5.430 9.064 1.00 0.00 H new ATOM 0 HA LYS A 469 94.499 6.404 10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 469 93.090 7.788 11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.207 7.535 9.980 1.00 0.00 H new ATOM 0 HG2 LYS A 469 90.996 5.612 11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 469 91.694 6.259 12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.448 8.232 12.582 1.00 0.00 H new ATOM 0 HD3 LYS A 469 90.278 8.169 10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 469 88.468 6.731 10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 469 89.015 5.936 12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 87.052 7.272 12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 88.371 7.900 13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 87.841 8.670 12.236 1.00 0.00 H new ATOM 520 N GLN A 470 92.913 4.137 11.958 1.00 0.00 N ATOM 521 CA GLN A 470 93.057 3.221 13.082 1.00 0.00 C ATOM 522 C GLN A 470 94.066 2.119 12.772 1.00 0.00 C ATOM 523 O GLN A 470 94.902 1.779 13.610 1.00 0.00 O ATOM 524 CB GLN A 470 91.701 2.612 13.443 1.00 0.00 C ATOM 525 CG GLN A 470 90.873 3.486 14.372 1.00 0.00 C ATOM 526 CD GLN A 470 89.883 2.684 15.196 1.00 0.00 C ATOM 527 OE1 GLN A 470 90.264 1.775 15.933 1.00 0.00 O ATOM 528 NE2 GLN A 470 88.604 3.019 15.075 1.00 0.00 N ATOM 0 H GLN A 470 92.050 4.022 11.427 1.00 0.00 H new ATOM 0 HA GLN A 470 93.431 3.788 13.934 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.137 2.432 12.528 1.00 0.00 H new ATOM 0 HB3 GLN A 470 91.861 1.643 13.915 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.538 4.032 15.040 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.334 4.228 13.783 1.00 0.00 H new ATOM 0 HE21 GLN A 470 88.333 3.780 14.452 1.00 0.00 H new ATOM 0 HE22 GLN A 470 87.893 2.516 15.605 1.00 0.00 H new ATOM 537 N VAL A 471 93.989 1.566 11.565 1.00 0.00 N ATOM 538 CA VAL A 471 94.907 0.508 11.156 1.00 0.00 C ATOM 539 C VAL A 471 96.339 1.027 11.111 1.00 0.00 C ATOM 540 O VAL A 471 97.263 0.369 11.590 1.00 0.00 O ATOM 541 CB VAL A 471 94.530 -0.062 9.775 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.463 -1.199 9.392 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.082 -0.526 9.767 1.00 0.00 C ATOM 0 H VAL A 471 93.305 1.831 10.857 1.00 0.00 H new ATOM 0 HA VAL A 471 94.831 -0.289 11.896 1.00 0.00 H new ATOM 0 HB VAL A 471 94.639 0.730 9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.180 -1.588 8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.488 -0.831 9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 471 95.391 -1.995 10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 471 92.833 -0.925 8.784 1.00 0.00 H new ATOM 0 HG22 VAL A 471 92.945 -1.302 10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.429 0.317 9.992 1.00 0.00 H new ATOM 553 N ARG A 472 96.515 2.217 10.548 1.00 0.00 N ATOM 554 CA ARG A 472 97.834 2.828 10.462 1.00 0.00 C ATOM 555 C ARG A 472 98.383 3.101 11.858 1.00 0.00 C ATOM 556 O ARG A 472 99.566 2.895 12.123 1.00 0.00 O ATOM 557 CB ARG A 472 97.771 4.128 9.658 1.00 0.00 C ATOM 558 CG ARG A 472 97.031 5.247 10.370 1.00 0.00 C ATOM 559 CD ARG A 472 96.965 6.503 9.516 1.00 0.00 C ATOM 560 NE ARG A 472 96.988 7.715 10.330 1.00 0.00 N ATOM 561 CZ ARG A 472 96.728 8.927 9.854 1.00 0.00 C ATOM 562 NH1 ARG A 472 96.438 9.091 8.570 1.00 0.00 N ATOM 563 NH2 ARG A 472 96.762 9.978 10.660 1.00 0.00 N ATOM 0 H ARG A 472 95.762 2.776 10.146 1.00 0.00 H new ATOM 0 HA ARG A 472 98.502 2.135 9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.786 4.458 9.436 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.284 3.932 8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.021 4.919 10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.530 5.472 11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 472 97.806 6.515 8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.056 6.486 8.915 1.00 0.00 H new ATOM 0 HE ARG A 472 97.217 7.626 11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 472 96.414 8.285 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 472 96.239 10.023 8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 472 96.988 9.857 11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 472 96.562 10.909 10.293 1.00 0.00 H new ATOM 577 N ASP A 473 97.508 3.563 12.747 1.00 0.00 N ATOM 578 CA ASP A 473 97.897 3.862 14.120 1.00 0.00 C ATOM 579 C ASP A 473 98.331 2.596 14.851 1.00 0.00 C ATOM 580 O ASP A 473 99.266 2.618 15.649 1.00 0.00 O ATOM 581 CB ASP A 473 96.737 4.521 14.866 1.00 0.00 C ATOM 582 CG ASP A 473 96.736 6.028 14.716 1.00 0.00 C ATOM 583 OD1 ASP A 473 95.668 6.644 14.915 1.00 0.00 O ATOM 584 OD2 ASP A 473 97.804 6.595 14.400 1.00 0.00 O ATOM 0 H ASP A 473 96.525 3.738 12.540 1.00 0.00 H new ATOM 0 HA ASP A 473 98.742 4.550 14.091 1.00 0.00 H new ATOM 0 HB2 ASP A 473 95.794 4.121 14.493 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.796 4.264 15.924 1.00 0.00 H new ATOM 589 N THR A 474 97.645 1.494 14.573 1.00 0.00 N ATOM 590 CA THR A 474 97.958 0.217 15.205 1.00 0.00 C ATOM 591 C THR A 474 99.339 -0.279 14.787 1.00 0.00 C ATOM 592 O THR A 474 100.209 -0.534 15.627 1.00 0.00 O ATOM 593 CB THR A 474 96.917 -0.857 14.835 1.00 0.00 C ATOM 594 OG1 THR A 474 96.370 -0.625 13.531 1.00 0.00 O ATOM 595 CG2 THR A 474 95.772 -0.881 15.835 1.00 0.00 C ATOM 0 H THR A 474 96.868 1.458 13.914 1.00 0.00 H new ATOM 0 HA THR A 474 97.941 0.384 16.282 1.00 0.00 H new ATOM 0 HB THR A 474 97.438 -1.814 14.849 1.00 0.00 H new ATOM 0 HG1 THR A 474 97.092 -0.391 12.911 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.054 -1.649 15.547 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.161 -1.102 16.829 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.279 0.091 15.847 1.00 0.00 H new ATOM 603 N LEU A 475 99.537 -0.403 13.480 1.00 0.00 N ATOM 604 CA LEU A 475 100.809 -0.860 12.944 1.00 0.00 C ATOM 605 C LEU A 475 101.911 0.141 13.262 1.00 0.00 C ATOM 606 O LEU A 475 103.023 -0.239 13.630 1.00 0.00 O ATOM 607 CB LEU A 475 100.700 -1.066 11.432 1.00 0.00 C ATOM 608 CG LEU A 475 100.089 0.105 10.661 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.182 0.975 10.058 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.149 -0.404 9.577 1.00 0.00 C ATOM 0 H LEU A 475 98.832 -0.193 12.774 1.00 0.00 H new ATOM 0 HA LEU A 475 101.062 -1.812 13.411 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.696 -1.262 11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.101 -1.957 11.244 1.00 0.00 H new ATOM 0 HG LEU A 475 99.512 0.714 11.357 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.729 1.803 9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 475 101.815 1.367 10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 475 101.786 0.378 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 475 98.723 0.442 9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 475 99.703 -1.035 8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.347 -0.984 10.034 1.00 0.00 H new ATOM 622 N ALA A 476 101.591 1.425 13.129 1.00 0.00 N ATOM 623 CA ALA A 476 102.554 2.479 13.415 1.00 0.00 C ATOM 624 C ALA A 476 102.844 2.554 14.909 1.00 0.00 C ATOM 625 O ALA A 476 103.914 3.000 15.322 1.00 0.00 O ATOM 626 CB ALA A 476 102.057 3.822 12.905 1.00 0.00 C ATOM 0 H ALA A 476 100.676 1.758 12.826 1.00 0.00 H new ATOM 0 HA ALA A 476 103.480 2.237 12.894 1.00 0.00 H new ATOM 0 HB1 ALA A 476 102.794 4.592 13.131 1.00 0.00 H new ATOM 0 HB2 ALA A 476 101.907 3.769 11.827 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.113 4.069 13.391 1.00 0.00 H new ATOM 632 N ALA A 477 101.885 2.108 15.718 1.00 0.00 N ATOM 633 CA ALA A 477 102.048 2.121 17.164 1.00 0.00 C ATOM 634 C ALA A 477 103.010 1.026 17.600 1.00 0.00 C ATOM 635 O ALA A 477 103.714 1.164 18.600 1.00 0.00 O ATOM 636 CB ALA A 477 100.710 1.959 17.870 1.00 0.00 C ATOM 0 H ALA A 477 100.992 1.735 15.395 1.00 0.00 H new ATOM 0 HA ALA A 477 102.464 3.088 17.446 1.00 0.00 H new ATOM 0 HB1 ALA A 477 100.864 1.973 18.949 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.048 2.778 17.588 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.258 1.011 17.580 1.00 0.00 H new ATOM 642 N ILE A 478 103.042 -0.060 16.834 1.00 0.00 N ATOM 643 CA ILE A 478 103.930 -1.175 17.137 1.00 0.00 C ATOM 644 C ILE A 478 105.344 -0.890 16.638 1.00 0.00 C ATOM 645 O ILE A 478 106.326 -1.321 17.242 1.00 0.00 O ATOM 646 CB ILE A 478 103.413 -2.490 16.512 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.228 -3.022 17.317 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.523 -3.532 16.445 1.00 0.00 C ATOM 649 CD1 ILE A 478 100.952 -3.138 16.512 1.00 0.00 C ATOM 0 H ILE A 478 102.466 -0.191 16.003 1.00 0.00 H new ATOM 0 HA ILE A 478 103.950 -1.291 18.221 1.00 0.00 H new ATOM 0 HB ILE A 478 103.083 -2.283 15.494 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.484 -4.002 17.720 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.052 -2.364 18.168 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.135 -4.449 16.001 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.342 -3.152 15.835 1.00 0.00 H new ATOM 0 HG23 ILE A 478 104.887 -3.741 17.451 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.154 -3.522 17.148 1.00 0.00 H new ATOM 0 HD12 ILE A 478 100.672 -2.156 16.131 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.110 -3.820 15.676 1.00 0.00 H new ATOM 661 N SER A 479 105.437 -0.157 15.534 1.00 0.00 N ATOM 662 CA SER A 479 106.730 0.187 14.954 1.00 0.00 C ATOM 663 C SER A 479 106.589 1.329 13.953 1.00 0.00 C ATOM 664 O SER A 479 105.488 1.634 13.493 1.00 0.00 O ATOM 665 CB SER A 479 107.350 -1.033 14.271 1.00 0.00 C ATOM 666 OG SER A 479 107.960 -0.676 13.043 1.00 0.00 O ATOM 0 H SER A 479 104.634 0.210 15.023 1.00 0.00 H new ATOM 0 HA SER A 479 107.386 0.513 15.761 1.00 0.00 H new ATOM 0 HB2 SER A 479 108.091 -1.485 14.930 1.00 0.00 H new ATOM 0 HB3 SER A 479 106.580 -1.784 14.093 1.00 0.00 H new ATOM 0 HG SER A 479 108.822 -1.134 12.961 1.00 0.00 H new ATOM 672 N GLU A 480 107.712 1.959 13.623 1.00 0.00 N ATOM 673 CA GLU A 480 107.715 3.071 12.679 1.00 0.00 C ATOM 674 C GLU A 480 107.530 2.579 11.248 1.00 0.00 C ATOM 675 O GLU A 480 108.417 1.943 10.678 1.00 0.00 O ATOM 676 CB GLU A 480 109.019 3.862 12.798 1.00 0.00 C ATOM 677 CG GLU A 480 110.178 3.244 12.032 1.00 0.00 C ATOM 678 CD GLU A 480 111.500 3.922 12.332 1.00 0.00 C ATOM 679 OE1 GLU A 480 112.333 3.312 13.035 1.00 0.00 O ATOM 680 OE2 GLU A 480 111.701 5.062 11.864 1.00 0.00 O ATOM 0 H GLU A 480 108.631 1.719 13.995 1.00 0.00 H new ATOM 0 HA GLU A 480 106.877 3.724 12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 480 108.854 4.876 12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.291 3.941 13.850 1.00 0.00 H new ATOM 0 HG2 GLU A 480 110.251 2.186 12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 480 109.976 3.306 10.963 1.00 0.00 H new ATOM 687 N VAL A 481 106.372 2.882 10.672 1.00 0.00 N ATOM 688 CA VAL A 481 106.063 2.478 9.306 1.00 0.00 C ATOM 689 C VAL A 481 106.183 3.657 8.350 1.00 0.00 C ATOM 690 O VAL A 481 106.130 4.814 8.765 1.00 0.00 O ATOM 691 CB VAL A 481 104.646 1.888 9.200 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.594 0.503 9.828 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.633 2.816 9.850 1.00 0.00 C ATOM 0 H VAL A 481 105.629 3.408 11.132 1.00 0.00 H new ATOM 0 HA VAL A 481 106.787 1.711 9.030 1.00 0.00 H new ATOM 0 HB VAL A 481 104.390 1.791 8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.584 0.103 9.743 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.291 -0.157 9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 481 104.870 0.570 10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.636 2.383 9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 481 103.883 2.948 10.903 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.652 3.784 9.349 1.00 0.00 H new ATOM 703 N LEU A 482 106.348 3.354 7.069 1.00 0.00 N ATOM 704 CA LEU A 482 106.480 4.390 6.054 1.00 0.00 C ATOM 705 C LEU A 482 105.115 4.922 5.634 1.00 0.00 C ATOM 706 O LEU A 482 104.745 6.046 5.971 1.00 0.00 O ATOM 707 CB LEU A 482 107.221 3.842 4.833 1.00 0.00 C ATOM 708 CG LEU A 482 107.173 4.735 3.592 1.00 0.00 C ATOM 709 CD1 LEU A 482 108.439 5.571 3.488 1.00 0.00 C ATOM 710 CD2 LEU A 482 106.986 3.892 2.340 1.00 0.00 C ATOM 0 H LEU A 482 106.394 2.401 6.709 1.00 0.00 H new ATOM 0 HA LEU A 482 107.053 5.212 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.264 3.678 5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.801 2.869 4.578 1.00 0.00 H new ATOM 0 HG LEU A 482 106.322 5.410 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 482 108.388 6.200 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 482 108.533 6.200 4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 482 109.305 4.913 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 482 106.954 4.542 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 482 107.818 3.194 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 482 106.052 3.335 2.413 1.00 0.00 H new ATOM 722 N TYR A 483 104.377 4.114 4.880 1.00 0.00 N ATOM 723 CA TYR A 483 103.060 4.522 4.399 1.00 0.00 C ATOM 724 C TYR A 483 102.102 3.341 4.307 1.00 0.00 C ATOM 725 O TYR A 483 102.493 2.239 3.927 1.00 0.00 O ATOM 726 CB TYR A 483 103.187 5.191 3.031 1.00 0.00 C ATOM 727 CG TYR A 483 101.861 5.414 2.339 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.168 4.354 1.769 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.305 6.683 2.256 1.00 0.00 C ATOM 730 CE1 TYR A 483 99.958 4.555 1.132 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.095 6.891 1.623 1.00 0.00 C ATOM 732 CZ TYR A 483 99.426 5.825 1.063 1.00 0.00 C ATOM 733 OH TYR A 483 98.223 6.028 0.429 1.00 0.00 O ATOM 0 H TYR A 483 104.665 3.179 4.590 1.00 0.00 H new ATOM 0 HA TYR A 483 102.651 5.231 5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.690 6.150 3.151 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.821 4.576 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.581 3.358 1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.827 7.521 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.432 3.721 0.691 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.675 7.885 1.567 1.00 0.00 H new ATOM 0 HH TYR A 483 97.988 6.979 0.470 1.00 0.00 H new ATOM 743 N VAL A 484 100.840 3.582 4.654 1.00 0.00 N ATOM 744 CA VAL A 484 99.822 2.541 4.603 1.00 0.00 C ATOM 745 C VAL A 484 98.884 2.745 3.417 1.00 0.00 C ATOM 746 O VAL A 484 98.158 3.737 3.351 1.00 0.00 O ATOM 747 CB VAL A 484 98.991 2.497 5.898 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.249 1.173 6.009 1.00 0.00 C ATOM 749 CG2 VAL A 484 99.879 2.724 7.112 1.00 0.00 C ATOM 0 H VAL A 484 100.500 4.489 4.973 1.00 0.00 H new ATOM 0 HA VAL A 484 100.349 1.594 4.489 1.00 0.00 H new ATOM 0 HB VAL A 484 98.254 3.299 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.666 1.158 6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 484 97.581 1.058 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 484 98.967 0.353 6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 484 99.273 2.689 8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 484 100.642 1.946 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 484 100.359 3.699 7.034 1.00 0.00 H new ATOM 759 N ASP A 485 98.908 1.800 2.482 1.00 0.00 N ATOM 760 CA ASP A 485 98.063 1.877 1.297 1.00 0.00 C ATOM 761 C ASP A 485 96.838 0.981 1.439 1.00 0.00 C ATOM 762 O ASP A 485 96.870 -0.196 1.080 1.00 0.00 O ATOM 763 CB ASP A 485 98.854 1.482 0.053 1.00 0.00 C ATOM 764 CG ASP A 485 98.119 1.815 -1.231 1.00 0.00 C ATOM 765 OD1 ASP A 485 98.562 2.738 -1.947 1.00 0.00 O ATOM 766 OD2 ASP A 485 97.100 1.152 -1.520 1.00 0.00 O ATOM 0 H ASP A 485 99.503 0.973 2.523 1.00 0.00 H new ATOM 0 HA ASP A 485 97.725 2.908 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.816 1.994 0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 485 99.061 0.412 0.082 1.00 0.00 H new ATOM 771 N LEU A 486 95.762 1.550 1.963 1.00 0.00 N ATOM 772 CA LEU A 486 94.521 0.810 2.153 1.00 0.00 C ATOM 773 C LEU A 486 93.604 0.968 0.945 1.00 0.00 C ATOM 774 O LEU A 486 93.330 2.084 0.505 1.00 0.00 O ATOM 775 CB LEU A 486 93.802 1.290 3.413 1.00 0.00 C ATOM 776 CG LEU A 486 92.484 0.578 3.710 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.450 0.100 5.153 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.307 1.497 3.419 1.00 0.00 C ATOM 0 H LEU A 486 95.723 2.523 2.265 1.00 0.00 H new ATOM 0 HA LEU A 486 94.772 -0.245 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.468 1.161 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 486 93.608 2.358 3.319 1.00 0.00 H new ATOM 0 HG LEU A 486 92.407 -0.294 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.504 -0.405 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 486 93.273 -0.593 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 486 92.549 0.955 5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 486 90.375 0.975 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.378 2.387 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.324 1.788 2.369 1.00 0.00 H new ATOM 790 N LEU A 487 93.129 -0.153 0.414 1.00 0.00 N ATOM 791 CA LEU A 487 92.240 -0.129 -0.741 1.00 0.00 C ATOM 792 C LEU A 487 90.956 0.627 -0.418 1.00 0.00 C ATOM 793 O LEU A 487 90.010 0.060 0.130 1.00 0.00 O ATOM 794 CB LEU A 487 91.910 -1.554 -1.186 1.00 0.00 C ATOM 795 CG LEU A 487 93.025 -2.269 -1.949 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.758 -3.236 -1.032 1.00 0.00 C ATOM 797 CD2 LEU A 487 92.461 -3.000 -3.159 1.00 0.00 C ATOM 0 H LEU A 487 93.344 -1.087 0.764 1.00 0.00 H new ATOM 0 HA LEU A 487 92.751 0.387 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 487 91.658 -2.144 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 487 91.021 -1.525 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 487 93.736 -1.523 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.549 -3.738 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 487 94.194 -2.687 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 487 93.057 -3.978 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 487 93.269 -3.503 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 487 91.729 -3.737 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 487 91.980 -2.284 -3.825 1.00 0.00 H new ATOM 809 N GLU A 488 90.932 1.910 -0.760 1.00 0.00 N ATOM 810 CA GLU A 488 89.769 2.752 -0.506 1.00 0.00 C ATOM 811 C GLU A 488 88.471 1.992 -0.762 1.00 0.00 C ATOM 812 O GLU A 488 88.194 1.577 -1.887 1.00 0.00 O ATOM 813 CB GLU A 488 89.816 4.000 -1.385 1.00 0.00 C ATOM 814 CG GLU A 488 88.832 5.078 -0.964 1.00 0.00 C ATOM 815 CD GLU A 488 89.480 6.167 -0.134 1.00 0.00 C ATOM 816 OE1 GLU A 488 89.038 7.331 -0.233 1.00 0.00 O ATOM 817 OE2 GLU A 488 90.430 5.858 0.616 1.00 0.00 O ATOM 0 H GLU A 488 91.708 2.391 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 488 89.795 3.047 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 488 90.825 4.412 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 488 89.611 3.715 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 488 88.383 5.522 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 488 88.023 4.623 -0.392 1.00 0.00 H new ATOM 824 N GLY A 489 87.676 1.823 0.290 1.00 0.00 N ATOM 825 CA GLY A 489 86.412 1.123 0.162 1.00 0.00 C ATOM 826 C GLY A 489 86.574 -0.382 0.176 1.00 0.00 C ATOM 827 O GLY A 489 85.644 -1.117 -0.155 1.00 0.00 O ATOM 0 H GLY A 489 87.886 2.159 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 489 85.752 1.421 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 489 85.927 1.424 -0.767 1.00 0.00 H new ATOM 831 N ASP A 490 87.760 -0.844 0.556 1.00 0.00 N ATOM 832 CA ASP A 490 88.037 -2.273 0.609 1.00 0.00 C ATOM 833 C ASP A 490 88.407 -2.709 2.021 1.00 0.00 C ATOM 834 O ASP A 490 88.792 -1.892 2.857 1.00 0.00 O ATOM 835 CB ASP A 490 89.164 -2.633 -0.359 1.00 0.00 C ATOM 836 CG ASP A 490 88.834 -3.848 -1.205 1.00 0.00 C ATOM 837 OD1 ASP A 490 87.924 -4.610 -0.819 1.00 0.00 O ATOM 838 OD2 ASP A 490 89.487 -4.036 -2.254 1.00 0.00 O ATOM 0 H ASP A 490 88.543 -0.251 0.831 1.00 0.00 H new ATOM 0 HA ASP A 490 87.130 -2.800 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 490 89.364 -1.783 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 490 90.077 -2.824 0.205 1.00 0.00 H new ATOM 843 N THR A 491 88.279 -4.006 2.276 1.00 0.00 N ATOM 844 CA THR A 491 88.588 -4.566 3.586 1.00 0.00 C ATOM 845 C THR A 491 90.032 -5.060 3.656 1.00 0.00 C ATOM 846 O THR A 491 90.408 -5.770 4.587 1.00 0.00 O ATOM 847 CB THR A 491 87.643 -5.733 3.928 1.00 0.00 C ATOM 848 OG1 THR A 491 86.948 -6.201 2.763 1.00 0.00 O ATOM 849 CG2 THR A 491 86.613 -5.310 4.965 1.00 0.00 C ATOM 0 H THR A 491 87.962 -4.691 1.590 1.00 0.00 H new ATOM 0 HA THR A 491 88.450 -3.764 4.312 1.00 0.00 H new ATOM 0 HB THR A 491 88.263 -6.536 4.327 1.00 0.00 H new ATOM 0 HG1 THR A 491 86.357 -6.943 3.010 1.00 0.00 H new ATOM 0 HG21 THR A 491 85.957 -6.151 5.190 1.00 0.00 H new ATOM 0 HG22 THR A 491 87.122 -4.993 5.875 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.021 -4.483 4.573 1.00 0.00 H new ATOM 857 N GLU A 492 90.833 -4.685 2.664 1.00 0.00 N ATOM 858 CA GLU A 492 92.230 -5.099 2.615 1.00 0.00 C ATOM 859 C GLU A 492 93.162 -3.902 2.422 1.00 0.00 C ATOM 860 O GLU A 492 92.981 -3.098 1.506 1.00 0.00 O ATOM 861 CB GLU A 492 92.445 -6.108 1.484 1.00 0.00 C ATOM 862 CG GLU A 492 91.152 -6.611 0.861 1.00 0.00 C ATOM 863 CD GLU A 492 91.370 -7.268 -0.488 1.00 0.00 C ATOM 864 OE1 GLU A 492 90.375 -7.702 -1.106 1.00 0.00 O ATOM 865 OE2 GLU A 492 92.537 -7.350 -0.926 1.00 0.00 O ATOM 0 H GLU A 492 90.539 -4.096 1.885 1.00 0.00 H new ATOM 0 HA GLU A 492 92.469 -5.567 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 492 93.056 -5.647 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.007 -6.958 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 492 90.682 -7.325 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 492 90.460 -5.777 0.747 1.00 0.00 H new ATOM 872 N CYS A 493 94.164 -3.797 3.291 1.00 0.00 N ATOM 873 CA CYS A 493 95.135 -2.710 3.223 1.00 0.00 C ATOM 874 C CYS A 493 96.555 -3.267 3.220 1.00 0.00 C ATOM 875 O CYS A 493 96.825 -4.294 3.838 1.00 0.00 O ATOM 876 CB CYS A 493 94.950 -1.756 4.405 1.00 0.00 C ATOM 877 SG CYS A 493 94.206 -2.522 5.863 1.00 0.00 S ATOM 0 H CYS A 493 94.325 -4.455 4.054 1.00 0.00 H new ATOM 0 HA CYS A 493 94.971 -2.159 2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 493 95.921 -1.343 4.680 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.326 -0.920 4.089 1.00 0.00 H new ATOM 0 HG CYS A 493 93.131 -3.165 5.515 1.00 0.00 H new ATOM 883 N HIS A 494 97.460 -2.592 2.518 1.00 0.00 N ATOM 884 CA HIS A 494 98.849 -3.037 2.437 1.00 0.00 C ATOM 885 C HIS A 494 99.807 -1.948 2.913 1.00 0.00 C ATOM 886 O HIS A 494 100.096 -1.000 2.182 1.00 0.00 O ATOM 887 CB HIS A 494 99.191 -3.436 1.001 1.00 0.00 C ATOM 888 CG HIS A 494 98.318 -4.524 0.458 1.00 0.00 C ATOM 889 ND1 HIS A 494 96.940 -4.448 0.444 1.00 0.00 N ATOM 890 CD2 HIS A 494 98.632 -5.720 -0.095 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.445 -5.551 -0.092 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.451 -6.337 -0.427 1.00 0.00 N ATOM 0 H HIS A 494 97.259 -1.738 1.998 1.00 0.00 H new ATOM 0 HA HIS A 494 98.963 -3.902 3.090 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.106 -2.559 0.359 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.231 -3.761 0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 494 99.626 -6.115 -0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.397 -5.771 -0.232 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.365 -7.255 -0.863 1.00 0.00 H new ATOM 901 N ALA A 495 100.290 -2.084 4.144 1.00 0.00 N ATOM 902 CA ALA A 495 101.209 -1.108 4.717 1.00 0.00 C ATOM 903 C ALA A 495 102.641 -1.345 4.250 1.00 0.00 C ATOM 904 O ALA A 495 103.198 -2.426 4.443 1.00 0.00 O ATOM 905 CB ALA A 495 101.146 -1.127 6.237 1.00 0.00 C ATOM 0 H ALA A 495 100.060 -2.861 4.764 1.00 0.00 H new ATOM 0 HA ALA A 495 100.895 -0.125 4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 495 101.841 -0.390 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.134 -0.887 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.418 -2.118 6.600 1.00 0.00 H new ATOM 911 N ARG A 496 103.235 -0.322 3.641 1.00 0.00 N ATOM 912 CA ARG A 496 104.605 -0.409 3.150 1.00 0.00 C ATOM 913 C ARG A 496 105.593 0.076 4.207 1.00 0.00 C ATOM 914 O ARG A 496 105.358 1.088 4.870 1.00 0.00 O ATOM 915 CB ARG A 496 104.761 0.418 1.872 1.00 0.00 C ATOM 916 CG ARG A 496 103.446 0.678 1.155 1.00 0.00 C ATOM 917 CD ARG A 496 103.654 0.892 -0.335 1.00 0.00 C ATOM 918 NE ARG A 496 103.028 2.127 -0.803 1.00 0.00 N ATOM 919 CZ ARG A 496 103.648 3.304 -0.835 1.00 0.00 C ATOM 920 NH1 ARG A 496 104.903 3.410 -0.423 1.00 0.00 N ATOM 921 NH2 ARG A 496 103.008 4.378 -1.277 1.00 0.00 N ATOM 0 H ARG A 496 102.786 0.579 3.476 1.00 0.00 H new ATOM 0 HA ARG A 496 104.822 -1.454 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.225 1.372 2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.439 -0.100 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 496 102.773 -0.165 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 496 102.964 1.556 1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 496 104.722 0.922 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.241 0.046 -0.884 1.00 0.00 H new ATOM 0 HE ARG A 496 102.061 2.084 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 496 105.398 2.587 -0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 496 105.374 4.314 -0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 496 102.041 4.302 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 496 103.483 5.280 -1.302 1.00 0.00 H new ATOM 935 N PHE A 497 106.696 -0.652 4.359 1.00 0.00 N ATOM 936 CA PHE A 497 107.719 -0.296 5.338 1.00 0.00 C ATOM 937 C PHE A 497 108.987 0.191 4.648 1.00 0.00 C ATOM 938 O PHE A 497 109.317 -0.253 3.550 1.00 0.00 O ATOM 939 CB PHE A 497 108.039 -1.495 6.233 1.00 0.00 C ATOM 940 CG PHE A 497 106.900 -1.900 7.125 1.00 0.00 C ATOM 941 CD1 PHE A 497 105.650 -2.166 6.593 1.00 0.00 C ATOM 942 CD2 PHE A 497 107.081 -2.012 8.495 1.00 0.00 C ATOM 943 CE1 PHE A 497 104.599 -2.538 7.410 1.00 0.00 C ATOM 944 CE2 PHE A 497 106.033 -2.384 9.317 1.00 0.00 C ATOM 945 CZ PHE A 497 104.792 -2.648 8.773 1.00 0.00 C ATOM 0 H PHE A 497 106.904 -1.491 3.818 1.00 0.00 H new ATOM 0 HA PHE A 497 107.329 0.514 5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.317 -2.342 5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 497 108.906 -1.257 6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 497 105.494 -2.082 5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 497 108.050 -1.807 8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 497 103.628 -2.742 6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 497 106.185 -2.468 10.383 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.973 -2.940 9.413 1.00 0.00 H new ATOM 955 N LYS A 498 109.693 1.107 5.296 1.00 0.00 N ATOM 956 CA LYS A 498 110.924 1.655 4.741 1.00 0.00 C ATOM 957 C LYS A 498 112.019 0.592 4.687 1.00 0.00 C ATOM 958 O LYS A 498 112.998 0.734 3.954 1.00 0.00 O ATOM 959 CB LYS A 498 111.390 2.854 5.570 1.00 0.00 C ATOM 960 CG LYS A 498 112.315 2.482 6.718 1.00 0.00 C ATOM 961 CD LYS A 498 112.142 3.417 7.903 1.00 0.00 C ATOM 962 CE LYS A 498 113.353 3.382 8.820 1.00 0.00 C ATOM 963 NZ LYS A 498 113.169 2.426 9.947 1.00 0.00 N ATOM 0 H LYS A 498 109.435 1.487 6.207 1.00 0.00 H new ATOM 0 HA LYS A 498 110.721 1.986 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 498 111.903 3.559 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 498 110.517 3.368 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 498 112.114 1.457 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 498 113.350 2.514 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 498 111.984 4.434 7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 498 111.251 3.135 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 498 114.235 3.100 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 498 113.537 4.380 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 113.742 2.732 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 112.166 2.401 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 113.470 1.476 9.649 1.00 0.00 H new ATOM 977 N THR A 499 111.846 -0.469 5.468 1.00 0.00 N ATOM 978 CA THR A 499 112.820 -1.553 5.509 1.00 0.00 C ATOM 979 C THR A 499 112.134 -2.903 5.650 1.00 0.00 C ATOM 980 O THR A 499 111.038 -3.003 6.201 1.00 0.00 O ATOM 981 CB THR A 499 113.812 -1.380 6.671 1.00 0.00 C ATOM 982 OG1 THR A 499 113.319 -0.450 7.643 1.00 0.00 O ATOM 983 CG2 THR A 499 115.159 -0.884 6.167 1.00 0.00 C ATOM 0 H THR A 499 111.041 -0.601 6.081 1.00 0.00 H new ATOM 0 HA THR A 499 113.365 -1.517 4.566 1.00 0.00 H new ATOM 0 HB THR A 499 113.930 -2.359 7.135 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.970 -0.362 8.371 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.843 -0.770 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.571 -1.604 5.460 1.00 0.00 H new ATOM 0 HG23 THR A 499 115.030 0.078 5.671 1.00 0.00 H new ATOM 991 N PRO A 500 112.780 -3.965 5.152 1.00 0.00 N ATOM 992 CA PRO A 500 112.244 -5.325 5.221 1.00 0.00 C ATOM 993 C PRO A 500 112.361 -5.921 6.618 1.00 0.00 C ATOM 994 O PRO A 500 111.432 -6.560 7.112 1.00 0.00 O ATOM 995 CB PRO A 500 113.121 -6.091 4.234 1.00 0.00 C ATOM 996 CG PRO A 500 114.425 -5.371 4.258 1.00 0.00 C ATOM 997 CD PRO A 500 114.095 -3.920 4.487 1.00 0.00 C ATOM 0 HA PRO A 500 111.180 -5.363 4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.237 -7.133 4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 500 112.686 -6.092 3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.068 -5.755 5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 500 114.962 -5.505 3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 500 114.844 -3.432 5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.052 -3.366 3.549 1.00 0.00 H new ATOM 1005 N GLU A 501 113.510 -5.706 7.253 1.00 0.00 N ATOM 1006 CA GLU A 501 113.748 -6.220 8.595 1.00 0.00 C ATOM 1007 C GLU A 501 112.798 -5.574 9.597 1.00 0.00 C ATOM 1008 O GLU A 501 112.323 -6.227 10.528 1.00 0.00 O ATOM 1009 CB GLU A 501 115.198 -5.969 9.014 1.00 0.00 C ATOM 1010 CG GLU A 501 115.631 -4.518 8.873 1.00 0.00 C ATOM 1011 CD GLU A 501 117.129 -4.339 9.028 1.00 0.00 C ATOM 1012 OE1 GLU A 501 117.654 -4.645 10.119 1.00 0.00 O ATOM 1013 OE2 GLU A 501 117.777 -3.890 8.058 1.00 0.00 O ATOM 0 H GLU A 501 114.289 -5.179 6.859 1.00 0.00 H new ATOM 0 HA GLU A 501 113.564 -7.294 8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 501 115.326 -6.278 10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.855 -6.596 8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 501 115.323 -4.144 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 501 115.117 -3.915 9.622 1.00 0.00 H new ATOM 1020 N ASP A 502 112.521 -4.288 9.400 1.00 0.00 N ATOM 1021 CA ASP A 502 111.625 -3.556 10.285 1.00 0.00 C ATOM 1022 C ASP A 502 110.269 -4.248 10.376 1.00 0.00 C ATOM 1023 O ASP A 502 109.675 -4.333 11.451 1.00 0.00 O ATOM 1024 CB ASP A 502 111.446 -2.120 9.787 1.00 0.00 C ATOM 1025 CG ASP A 502 111.268 -1.131 10.922 1.00 0.00 C ATOM 1026 OD1 ASP A 502 112.252 -0.449 11.276 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.143 -1.038 11.457 1.00 0.00 O ATOM 0 H ASP A 502 112.905 -3.733 8.635 1.00 0.00 H new ATOM 0 HA ASP A 502 112.070 -3.536 11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 502 112.314 -1.834 9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 502 110.579 -2.072 9.128 1.00 0.00 H new ATOM 1032 N ALA A 503 109.787 -4.744 9.241 1.00 0.00 N ATOM 1033 CA ALA A 503 108.503 -5.432 9.192 1.00 0.00 C ATOM 1034 C ALA A 503 108.555 -6.738 9.977 1.00 0.00 C ATOM 1035 O ALA A 503 107.605 -7.094 10.675 1.00 0.00 O ATOM 1036 CB ALA A 503 108.083 -5.697 7.754 1.00 0.00 C ATOM 0 H ALA A 503 110.267 -4.682 8.343 1.00 0.00 H new ATOM 0 HA ALA A 503 107.760 -4.782 9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.122 -6.211 7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.993 -4.751 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.832 -6.319 7.265 1.00 0.00 H new ATOM 1042 N GLN A 504 109.674 -7.447 9.863 1.00 0.00 N ATOM 1043 CA GLN A 504 109.852 -8.712 10.566 1.00 0.00 C ATOM 1044 C GLN A 504 109.581 -8.540 12.058 1.00 0.00 C ATOM 1045 O GLN A 504 108.965 -9.392 12.693 1.00 0.00 O ATOM 1046 CB GLN A 504 111.271 -9.239 10.347 1.00 0.00 C ATOM 1047 CG GLN A 504 111.588 -10.498 11.137 1.00 0.00 C ATOM 1048 CD GLN A 504 113.029 -10.939 10.971 1.00 0.00 C ATOM 1049 OE1 GLN A 504 113.691 -10.580 9.998 1.00 0.00 O ATOM 1050 NE2 GLN A 504 113.523 -11.720 11.924 1.00 0.00 N ATOM 0 H GLN A 504 110.470 -7.167 9.291 1.00 0.00 H new ATOM 0 HA GLN A 504 109.139 -9.433 10.166 1.00 0.00 H new ATOM 0 HB2 GLN A 504 111.413 -9.442 9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.984 -8.461 10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 504 111.385 -10.321 12.193 1.00 0.00 H new ATOM 0 HG3 GLN A 504 110.926 -11.302 10.815 1.00 0.00 H new ATOM 0 HE21 GLN A 504 112.938 -11.993 12.714 1.00 0.00 H new ATOM 0 HE22 GLN A 504 114.488 -12.047 11.867 1.00 0.00 H new ATOM 1059 N ALA A 505 110.053 -7.433 12.613 1.00 0.00 N ATOM 1060 CA ALA A 505 109.860 -7.153 14.029 1.00 0.00 C ATOM 1061 C ALA A 505 108.381 -6.945 14.357 1.00 0.00 C ATOM 1062 O ALA A 505 107.897 -7.391 15.397 1.00 0.00 O ATOM 1063 CB ALA A 505 110.668 -5.937 14.452 1.00 0.00 C ATOM 0 H ALA A 505 110.571 -6.715 12.106 1.00 0.00 H new ATOM 0 HA ALA A 505 110.213 -8.020 14.588 1.00 0.00 H new ATOM 0 HB1 ALA A 505 110.509 -5.746 15.513 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.727 -6.123 14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 505 110.348 -5.069 13.875 1.00 0.00 H new ATOM 1069 N VAL A 506 107.672 -6.251 13.469 1.00 0.00 N ATOM 1070 CA VAL A 506 106.252 -5.966 13.671 1.00 0.00 C ATOM 1071 C VAL A 506 105.388 -7.223 13.575 1.00 0.00 C ATOM 1072 O VAL A 506 104.464 -7.408 14.367 1.00 0.00 O ATOM 1073 CB VAL A 506 105.740 -4.937 12.649 1.00 0.00 C ATOM 1074 CG1 VAL A 506 104.308 -4.534 12.967 1.00 0.00 C ATOM 1075 CG2 VAL A 506 106.650 -3.719 12.615 1.00 0.00 C ATOM 0 H VAL A 506 108.057 -5.875 12.602 1.00 0.00 H new ATOM 0 HA VAL A 506 106.167 -5.560 14.679 1.00 0.00 H new ATOM 0 HB VAL A 506 105.752 -5.397 11.661 1.00 0.00 H new ATOM 0 HG11 VAL A 506 103.964 -3.806 12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 506 103.666 -5.414 12.933 1.00 0.00 H new ATOM 0 HG13 VAL A 506 104.267 -4.093 13.963 1.00 0.00 H new ATOM 0 HG21 VAL A 506 106.272 -3.002 11.886 1.00 0.00 H new ATOM 0 HG22 VAL A 506 106.674 -3.255 13.601 1.00 0.00 H new ATOM 0 HG23 VAL A 506 107.657 -4.025 12.333 1.00 0.00 H new ATOM 1085 N ILE A 507 105.678 -8.073 12.596 1.00 0.00 N ATOM 1086 CA ILE A 507 104.905 -9.297 12.400 1.00 0.00 C ATOM 1087 C ILE A 507 105.036 -10.239 13.591 1.00 0.00 C ATOM 1088 O ILE A 507 104.087 -10.937 13.949 1.00 0.00 O ATOM 1089 CB ILE A 507 105.328 -10.044 11.122 1.00 0.00 C ATOM 1090 CG1 ILE A 507 106.837 -10.279 11.102 1.00 0.00 C ATOM 1091 CG2 ILE A 507 104.894 -9.269 9.887 1.00 0.00 C ATOM 1092 CD1 ILE A 507 107.282 -11.432 11.976 1.00 0.00 C ATOM 0 H ILE A 507 106.438 -7.940 11.929 1.00 0.00 H new ATOM 0 HA ILE A 507 103.865 -8.987 12.300 1.00 0.00 H new ATOM 0 HB ILE A 507 104.834 -11.015 11.116 1.00 0.00 H new ATOM 0 HG12 ILE A 507 107.153 -10.468 10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 507 107.342 -9.370 11.429 1.00 0.00 H new ATOM 0 HG21 ILE A 507 105.200 -9.810 8.992 1.00 0.00 H new ATOM 0 HG22 ILE A 507 103.810 -9.157 9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 507 105.361 -8.284 9.893 1.00 0.00 H new ATOM 0 HD11 ILE A 507 108.365 -11.540 11.912 1.00 0.00 H new ATOM 0 HD12 ILE A 507 106.997 -11.236 13.010 1.00 0.00 H new ATOM 0 HD13 ILE A 507 106.805 -12.351 11.636 1.00 0.00 H new ATOM 1104 N ASN A 508 106.208 -10.244 14.210 1.00 0.00 N ATOM 1105 CA ASN A 508 106.449 -11.090 15.372 1.00 0.00 C ATOM 1106 C ASN A 508 105.653 -10.581 16.568 1.00 0.00 C ATOM 1107 O ASN A 508 105.096 -11.359 17.342 1.00 0.00 O ATOM 1108 CB ASN A 508 107.940 -11.118 15.711 1.00 0.00 C ATOM 1109 CG ASN A 508 108.728 -12.017 14.778 1.00 0.00 C ATOM 1110 OD1 ASN A 508 108.508 -13.227 14.732 1.00 0.00 O ATOM 1111 ND2 ASN A 508 109.653 -11.428 14.030 1.00 0.00 N ATOM 0 H ASN A 508 107.005 -9.674 13.929 1.00 0.00 H new ATOM 0 HA ASN A 508 106.124 -12.103 15.136 1.00 0.00 H new ATOM 0 HB2 ASN A 508 108.341 -10.106 15.660 1.00 0.00 H new ATOM 0 HB3 ASN A 508 108.070 -11.461 16.737 1.00 0.00 H new ATOM 0 HD21 ASN A 508 110.215 -11.982 13.384 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.801 -10.421 14.101 1.00 0.00 H new ATOM 1118 N ALA A 509 105.612 -9.261 16.702 1.00 0.00 N ATOM 1119 CA ALA A 509 104.895 -8.611 17.794 1.00 0.00 C ATOM 1120 C ALA A 509 103.388 -8.621 17.568 1.00 0.00 C ATOM 1121 O ALA A 509 102.607 -8.513 18.513 1.00 0.00 O ATOM 1122 CB ALA A 509 105.376 -7.180 17.974 1.00 0.00 C ATOM 0 H ALA A 509 106.071 -8.614 16.062 1.00 0.00 H new ATOM 0 HA ALA A 509 105.106 -9.180 18.699 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.829 -6.713 18.793 1.00 0.00 H new ATOM 0 HB2 ALA A 509 106.442 -7.180 18.203 1.00 0.00 H new ATOM 0 HB3 ALA A 509 105.202 -6.620 17.055 1.00 0.00 H new ATOM 1128 N TYR A 510 102.986 -8.714 16.308 1.00 0.00 N ATOM 1129 CA TYR A 510 101.572 -8.696 15.953 1.00 0.00 C ATOM 1130 C TYR A 510 100.784 -9.820 16.610 1.00 0.00 C ATOM 1131 O TYR A 510 99.554 -9.779 16.638 1.00 0.00 O ATOM 1132 CB TYR A 510 101.397 -8.757 14.442 1.00 0.00 C ATOM 1133 CG TYR A 510 100.913 -7.453 13.861 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.995 -7.425 12.821 1.00 0.00 C ATOM 1135 CD2 TYR A 510 101.375 -6.244 14.365 1.00 0.00 C ATOM 1136 CE1 TYR A 510 99.549 -6.227 12.296 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.934 -5.042 13.845 1.00 0.00 C ATOM 1138 CZ TYR A 510 100.022 -5.038 12.811 1.00 0.00 C ATOM 1139 OH TYR A 510 99.581 -3.843 12.291 1.00 0.00 O ATOM 0 H TYR A 510 103.619 -8.803 15.513 1.00 0.00 H new ATOM 0 HA TYR A 510 101.171 -7.755 16.330 1.00 0.00 H new ATOM 0 HB2 TYR A 510 102.347 -9.026 13.981 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.688 -9.547 14.194 1.00 0.00 H new ATOM 0 HD1 TYR A 510 99.623 -8.354 12.415 1.00 0.00 H new ATOM 0 HD2 TYR A 510 102.089 -6.243 15.175 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.834 -6.222 11.487 1.00 0.00 H new ATOM 0 HE2 TYR A 510 101.302 -4.110 14.247 1.00 0.00 H new ATOM 0 HH TYR A 510 99.289 -3.257 13.020 1.00 0.00 H new ATOM 1149 N THR A 511 101.472 -10.815 17.153 1.00 0.00 N ATOM 1150 CA THR A 511 100.777 -11.910 17.810 1.00 0.00 C ATOM 1151 C THR A 511 99.709 -11.347 18.738 1.00 0.00 C ATOM 1152 O THR A 511 98.621 -11.905 18.875 1.00 0.00 O ATOM 1153 CB THR A 511 101.743 -12.793 18.623 1.00 0.00 C ATOM 1154 OG1 THR A 511 102.367 -12.051 19.680 1.00 0.00 O ATOM 1155 CG2 THR A 511 102.833 -13.369 17.733 1.00 0.00 C ATOM 0 H THR A 511 102.490 -10.886 17.152 1.00 0.00 H new ATOM 0 HA THR A 511 100.322 -12.530 17.037 1.00 0.00 H new ATOM 0 HB THR A 511 101.148 -13.600 19.050 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.973 -12.638 20.179 1.00 0.00 H new ATOM 0 HG21 THR A 511 103.502 -13.988 18.331 1.00 0.00 H new ATOM 0 HG22 THR A 511 102.380 -13.976 16.949 1.00 0.00 H new ATOM 0 HG23 THR A 511 103.400 -12.556 17.280 1.00 0.00 H new ATOM 1163 N GLU A 512 100.049 -10.235 19.379 1.00 0.00 N ATOM 1164 CA GLU A 512 99.147 -9.570 20.313 1.00 0.00 C ATOM 1165 C GLU A 512 97.857 -9.124 19.629 1.00 0.00 C ATOM 1166 O GLU A 512 96.812 -9.023 20.273 1.00 0.00 O ATOM 1167 CB GLU A 512 99.841 -8.362 20.949 1.00 0.00 C ATOM 1168 CG GLU A 512 100.426 -8.649 22.322 1.00 0.00 C ATOM 1169 CD GLU A 512 100.484 -7.414 23.200 1.00 0.00 C ATOM 1170 OE1 GLU A 512 99.485 -6.666 23.238 1.00 0.00 O ATOM 1171 OE2 GLU A 512 101.528 -7.197 23.850 1.00 0.00 O ATOM 0 H GLU A 512 100.951 -9.771 19.268 1.00 0.00 H new ATOM 0 HA GLU A 512 98.886 -10.290 21.088 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.638 -8.022 20.288 1.00 0.00 H new ATOM 0 HB3 GLU A 512 99.125 -7.544 21.032 1.00 0.00 H new ATOM 0 HG2 GLU A 512 99.826 -9.414 22.816 1.00 0.00 H new ATOM 0 HG3 GLU A 512 101.430 -9.056 22.207 1.00 0.00 H new ATOM 1178 N ILE A 513 97.927 -8.849 18.328 1.00 0.00 N ATOM 1179 CA ILE A 513 96.751 -8.407 17.586 1.00 0.00 C ATOM 1180 C ILE A 513 95.617 -9.421 17.694 1.00 0.00 C ATOM 1181 O ILE A 513 94.473 -9.057 17.968 1.00 0.00 O ATOM 1182 CB ILE A 513 97.072 -8.177 16.096 1.00 0.00 C ATOM 1183 CG1 ILE A 513 98.257 -7.220 15.947 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.850 -7.636 15.367 1.00 0.00 C ATOM 1185 CD1 ILE A 513 97.861 -5.759 15.920 1.00 0.00 C ATOM 0 H ILE A 513 98.778 -8.924 17.771 1.00 0.00 H new ATOM 0 HA ILE A 513 96.439 -7.463 18.033 1.00 0.00 H new ATOM 0 HB ILE A 513 97.344 -9.132 15.647 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.951 -7.384 16.772 1.00 0.00 H new ATOM 0 HG13 ILE A 513 98.792 -7.459 15.028 1.00 0.00 H new ATOM 0 HG21 ILE A 513 96.093 -7.479 14.316 1.00 0.00 H new ATOM 0 HG22 ILE A 513 95.032 -8.352 15.447 1.00 0.00 H new ATOM 0 HG23 ILE A 513 95.549 -6.689 15.815 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.753 -5.142 15.812 1.00 0.00 H new ATOM 0 HD12 ILE A 513 97.192 -5.579 15.079 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.353 -5.503 16.849 1.00 0.00 H new ATOM 1197 N ASN A 514 95.937 -10.695 17.476 1.00 0.00 N ATOM 1198 CA ASN A 514 94.938 -11.756 17.545 1.00 0.00 C ATOM 1199 C ASN A 514 94.200 -11.731 18.879 1.00 0.00 C ATOM 1200 O ASN A 514 93.024 -12.087 18.956 1.00 0.00 O ATOM 1201 CB ASN A 514 95.600 -13.120 17.340 1.00 0.00 C ATOM 1202 CG ASN A 514 94.625 -14.268 17.501 1.00 0.00 C ATOM 1203 OD1 ASN A 514 94.851 -15.185 18.290 1.00 0.00 O ATOM 1204 ND2 ASN A 514 93.531 -14.223 16.752 1.00 0.00 N ATOM 0 H ASN A 514 96.879 -11.016 17.251 1.00 0.00 H new ATOM 0 HA ASN A 514 94.212 -11.586 16.750 1.00 0.00 H new ATOM 0 HB2 ASN A 514 96.042 -13.160 16.344 1.00 0.00 H new ATOM 0 HB3 ASN A 514 96.414 -13.236 18.055 1.00 0.00 H new ATOM 0 HD21 ASN A 514 92.837 -14.968 16.817 1.00 0.00 H new ATOM 0 HD22 ASN A 514 93.384 -13.444 16.111 1.00 0.00 H new ATOM 1211 N LYS A 515 94.894 -11.306 19.929 1.00 0.00 N ATOM 1212 CA LYS A 515 94.299 -11.234 21.257 1.00 0.00 C ATOM 1213 C LYS A 515 93.188 -10.191 21.296 1.00 0.00 C ATOM 1214 O LYS A 515 92.246 -10.301 22.081 1.00 0.00 O ATOM 1215 CB LYS A 515 95.365 -10.896 22.302 1.00 0.00 C ATOM 1216 CG LYS A 515 96.399 -11.993 22.495 1.00 0.00 C ATOM 1217 CD LYS A 515 95.761 -13.281 22.990 1.00 0.00 C ATOM 1218 CE LYS A 515 96.169 -13.592 24.421 1.00 0.00 C ATOM 1219 NZ LYS A 515 95.052 -14.201 25.195 1.00 0.00 N ATOM 0 H LYS A 515 95.868 -11.007 19.886 1.00 0.00 H new ATOM 0 HA LYS A 515 93.870 -12.209 21.489 1.00 0.00 H new ATOM 0 HB2 LYS A 515 95.873 -9.978 22.007 1.00 0.00 H new ATOM 0 HB3 LYS A 515 94.876 -10.697 23.256 1.00 0.00 H new ATOM 0 HG2 LYS A 515 96.913 -12.180 21.552 1.00 0.00 H new ATOM 0 HG3 LYS A 515 97.153 -11.662 23.209 1.00 0.00 H new ATOM 0 HD2 LYS A 515 94.676 -13.197 22.930 1.00 0.00 H new ATOM 0 HD3 LYS A 515 96.053 -14.106 22.340 1.00 0.00 H new ATOM 0 HE2 LYS A 515 97.021 -14.272 24.416 1.00 0.00 H new ATOM 0 HE3 LYS A 515 96.495 -12.676 24.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 95.369 -14.399 26.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 94.248 -13.542 25.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 94.758 -15.088 24.740 1.00 0.00 H new ATOM 1233 N LYS A 516 93.307 -9.175 20.447 1.00 0.00 N ATOM 1234 CA LYS A 516 92.314 -8.108 20.389 1.00 0.00 C ATOM 1235 C LYS A 516 91.312 -8.346 19.262 1.00 0.00 C ATOM 1236 O LYS A 516 90.116 -8.106 19.424 1.00 0.00 O ATOM 1237 CB LYS A 516 93.003 -6.756 20.201 1.00 0.00 C ATOM 1238 CG LYS A 516 92.265 -5.599 20.855 1.00 0.00 C ATOM 1239 CD LYS A 516 92.170 -5.777 22.362 1.00 0.00 C ATOM 1240 CE LYS A 516 90.850 -6.416 22.765 1.00 0.00 C ATOM 1241 NZ LYS A 516 91.019 -7.365 23.901 1.00 0.00 N ATOM 0 H LYS A 516 94.080 -9.068 19.790 1.00 0.00 H new ATOM 0 HA LYS A 516 91.768 -8.104 21.333 1.00 0.00 H new ATOM 0 HB2 LYS A 516 94.011 -6.811 20.612 1.00 0.00 H new ATOM 0 HB3 LYS A 516 93.104 -6.555 19.135 1.00 0.00 H new ATOM 0 HG2 LYS A 516 92.779 -4.665 20.630 1.00 0.00 H new ATOM 0 HG3 LYS A 516 91.263 -5.521 20.433 1.00 0.00 H new ATOM 0 HD2 LYS A 516 92.997 -6.397 22.709 1.00 0.00 H new ATOM 0 HD3 LYS A 516 92.271 -4.808 22.851 1.00 0.00 H new ATOM 0 HE2 LYS A 516 90.140 -5.638 23.044 1.00 0.00 H new ATOM 0 HE3 LYS A 516 90.426 -6.943 21.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 90.098 -7.780 24.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 91.677 -8.122 23.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 91.400 -6.857 24.724 1.00 0.00 H new ATOM 1255 N HIS A 517 91.805 -8.816 18.120 1.00 0.00 N ATOM 1256 CA HIS A 517 90.943 -9.080 16.971 1.00 0.00 C ATOM 1257 C HIS A 517 91.624 -10.011 15.973 1.00 0.00 C ATOM 1258 O HIS A 517 92.809 -9.858 15.677 1.00 0.00 O ATOM 1259 CB HIS A 517 90.564 -7.771 16.275 1.00 0.00 C ATOM 1260 CG HIS A 517 90.322 -6.635 17.219 1.00 0.00 C ATOM 1261 ND1 HIS A 517 89.111 -6.423 17.846 1.00 0.00 N ATOM 1262 CD2 HIS A 517 91.140 -5.643 17.639 1.00 0.00 C ATOM 1263 CE1 HIS A 517 89.197 -5.348 18.611 1.00 0.00 C ATOM 1264 NE2 HIS A 517 90.417 -4.857 18.503 1.00 0.00 N ATOM 0 H HIS A 517 92.792 -9.021 17.965 1.00 0.00 H new ATOM 0 HA HIS A 517 90.040 -9.567 17.340 1.00 0.00 H new ATOM 0 HB2 HIS A 517 91.360 -7.494 15.584 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.666 -7.934 15.679 1.00 0.00 H new ATOM 0 HD2 HIS A 517 92.170 -5.496 17.349 1.00 0.00 H new ATOM 0 HE1 HIS A 517 88.404 -4.941 19.221 1.00 0.00 H new ATOM 0 HE2 HIS A 517 90.767 -4.028 18.983 1.00 0.00 H new ATOM 1273 N CYS A 518 90.863 -10.969 15.450 1.00 0.00 N ATOM 1274 CA CYS A 518 91.390 -11.918 14.475 1.00 0.00 C ATOM 1275 C CYS A 518 91.899 -11.185 13.239 1.00 0.00 C ATOM 1276 O CYS A 518 91.241 -11.169 12.198 1.00 0.00 O ATOM 1277 CB CYS A 518 90.312 -12.928 14.077 1.00 0.00 C ATOM 1278 SG CYS A 518 90.639 -14.616 14.636 1.00 0.00 S ATOM 0 H CYS A 518 89.880 -11.108 15.685 1.00 0.00 H new ATOM 0 HA CYS A 518 92.222 -12.453 14.933 1.00 0.00 H new ATOM 0 HB2 CYS A 518 89.355 -12.601 14.484 1.00 0.00 H new ATOM 0 HB3 CYS A 518 90.213 -12.929 12.991 1.00 0.00 H new ATOM 0 HG CYS A 518 89.671 -15.395 14.253 1.00 0.00 H new ATOM 1284 N TRP A 519 93.070 -10.570 13.366 1.00 0.00 N ATOM 1285 CA TRP A 519 93.667 -9.823 12.264 1.00 0.00 C ATOM 1286 C TRP A 519 94.756 -10.624 11.572 1.00 0.00 C ATOM 1287 O TRP A 519 95.493 -11.379 12.206 1.00 0.00 O ATOM 1288 CB TRP A 519 94.239 -8.503 12.772 1.00 0.00 C ATOM 1289 CG TRP A 519 93.959 -7.368 11.846 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.394 -7.459 10.613 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.226 -5.981 12.070 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.284 -6.217 10.052 1.00 0.00 N ATOM 1293 CE2 TRP A 519 93.790 -5.285 10.927 1.00 0.00 C ATOM 1294 CE3 TRP A 519 94.787 -5.258 13.126 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 93.900 -3.899 10.814 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 94.896 -3.886 13.012 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.454 -3.219 11.863 1.00 0.00 C ATOM 0 H TRP A 519 93.625 -10.574 14.222 1.00 0.00 H new ATOM 0 HA TRP A 519 92.881 -9.622 11.536 1.00 0.00 H new ATOM 0 HB2 TRP A 519 93.818 -8.281 13.752 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.316 -8.604 12.904 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.078 -8.379 10.144 1.00 0.00 H new ATOM 0 HE1 TRP A 519 92.890 -6.015 9.133 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.130 -5.764 14.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.560 -3.381 9.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 95.329 -3.318 13.822 1.00 0.00 H new ATOM 0 HH2 TRP A 519 94.553 -2.145 11.804 1.00 0.00 H new ATOM 1308 N LYS A 520 94.845 -10.445 10.262 1.00 0.00 N ATOM 1309 CA LYS A 520 95.838 -11.141 9.459 1.00 0.00 C ATOM 1310 C LYS A 520 96.917 -10.181 8.982 1.00 0.00 C ATOM 1311 O LYS A 520 96.620 -9.129 8.416 1.00 0.00 O ATOM 1312 CB LYS A 520 95.166 -11.796 8.262 1.00 0.00 C ATOM 1313 CG LYS A 520 93.770 -12.311 8.563 1.00 0.00 C ATOM 1314 CD LYS A 520 93.810 -13.484 9.530 1.00 0.00 C ATOM 1315 CE LYS A 520 92.767 -13.338 10.625 1.00 0.00 C ATOM 1316 NZ LYS A 520 91.482 -12.804 10.098 1.00 0.00 N ATOM 0 H LYS A 520 94.238 -9.820 9.731 1.00 0.00 H new ATOM 0 HA LYS A 520 96.306 -11.907 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.112 -11.076 7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 520 95.784 -12.624 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.167 -11.508 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.285 -12.618 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 520 93.639 -14.412 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 520 94.801 -13.555 9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 520 92.593 -14.307 11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 520 93.146 -12.673 11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.249 -11.916 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 91.573 -12.624 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 90.725 -13.498 10.261 1.00 0.00 H new ATOM 1330 N LEU A 521 98.169 -10.549 9.213 1.00 0.00 N ATOM 1331 CA LEU A 521 99.291 -9.717 8.803 1.00 0.00 C ATOM 1332 C LEU A 521 100.394 -10.570 8.183 1.00 0.00 C ATOM 1333 O LEU A 521 101.127 -11.266 8.887 1.00 0.00 O ATOM 1334 CB LEU A 521 99.817 -8.923 10.004 1.00 0.00 C ATOM 1335 CG LEU A 521 101.337 -8.770 10.091 1.00 0.00 C ATOM 1336 CD1 LEU A 521 101.705 -7.349 10.488 1.00 0.00 C ATOM 1337 CD2 LEU A 521 101.908 -9.772 11.083 1.00 0.00 C ATOM 0 H LEU A 521 98.433 -11.416 9.681 1.00 0.00 H new ATOM 0 HA LEU A 521 98.951 -9.012 8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 521 99.372 -7.928 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 521 99.467 -9.407 10.916 1.00 0.00 H new ATOM 0 HG LEU A 521 101.768 -8.971 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 521 102.790 -7.257 10.546 1.00 0.00 H new ATOM 0 HD12 LEU A 521 101.320 -6.652 9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 521 101.269 -7.118 11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 521 102.990 -9.654 11.137 1.00 0.00 H new ATOM 0 HD22 LEU A 521 101.474 -9.597 12.068 1.00 0.00 H new ATOM 0 HD23 LEU A 521 101.669 -10.784 10.756 1.00 0.00 H new ATOM 1349 N GLU A 522 100.501 -10.513 6.859 1.00 0.00 N ATOM 1350 CA GLU A 522 101.509 -11.281 6.138 1.00 0.00 C ATOM 1351 C GLU A 522 102.444 -10.359 5.362 1.00 0.00 C ATOM 1352 O GLU A 522 102.005 -9.390 4.743 1.00 0.00 O ATOM 1353 CB GLU A 522 100.832 -12.264 5.181 1.00 0.00 C ATOM 1354 CG GLU A 522 101.808 -13.108 4.380 1.00 0.00 C ATOM 1355 CD GLU A 522 101.639 -14.594 4.635 1.00 0.00 C ATOM 1356 OE1 GLU A 522 100.678 -15.182 4.097 1.00 0.00 O ATOM 1357 OE2 GLU A 522 102.469 -15.167 5.372 1.00 0.00 O ATOM 0 H GLU A 522 99.901 -9.942 6.264 1.00 0.00 H new ATOM 0 HA GLU A 522 102.101 -11.837 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.180 -12.924 5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.197 -11.707 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 522 101.670 -12.907 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.827 -12.814 4.630 1.00 0.00 H new ATOM 1364 N ILE A 523 103.737 -10.668 5.400 1.00 0.00 N ATOM 1365 CA ILE A 523 104.736 -9.870 4.700 1.00 0.00 C ATOM 1366 C ILE A 523 104.902 -10.346 3.260 1.00 0.00 C ATOM 1367 O ILE A 523 105.328 -11.474 3.016 1.00 0.00 O ATOM 1368 CB ILE A 523 106.104 -9.925 5.420 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.077 -9.047 6.672 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.229 -9.488 4.490 1.00 0.00 C ATOM 1371 CD1 ILE A 523 107.344 -9.136 7.496 1.00 0.00 C ATOM 0 H ILE A 523 104.117 -11.466 5.909 1.00 0.00 H new ATOM 0 HA ILE A 523 104.381 -8.839 4.698 1.00 0.00 H new ATOM 0 HB ILE A 523 106.292 -10.957 5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 523 105.917 -8.010 6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.228 -9.337 7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.180 -9.536 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.263 -10.150 3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.050 -8.465 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 523 107.257 -8.489 8.369 1.00 0.00 H new ATOM 0 HD12 ILE A 523 107.495 -10.165 7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 523 108.194 -8.818 6.892 1.00 0.00 H new ATOM 1383 N LEU A 524 104.572 -9.476 2.312 1.00 0.00 N ATOM 1384 CA LEU A 524 104.694 -9.808 0.900 1.00 0.00 C ATOM 1385 C LEU A 524 106.143 -10.134 0.556 1.00 0.00 C ATOM 1386 O LEU A 524 107.064 -9.443 0.991 1.00 0.00 O ATOM 1387 CB LEU A 524 104.197 -8.648 0.038 1.00 0.00 C ATOM 1388 CG LEU A 524 102.746 -8.768 -0.432 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.649 -9.693 -1.635 1.00 0.00 C ATOM 1390 CD2 LEU A 524 101.861 -9.266 0.699 1.00 0.00 C ATOM 0 H LEU A 524 104.219 -8.537 2.497 1.00 0.00 H new ATOM 0 HA LEU A 524 104.080 -10.685 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.305 -7.722 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 524 104.841 -8.563 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 524 102.397 -7.780 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.610 -9.766 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.253 -9.294 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 524 103.015 -10.683 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 524 100.832 -9.346 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.209 -10.245 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 524 101.907 -8.565 1.532 1.00 0.00 H new ATOM 1402 N SER A 525 106.343 -11.203 -0.207 1.00 0.00 N ATOM 1403 CA SER A 525 107.686 -11.626 -0.583 1.00 0.00 C ATOM 1404 C SER A 525 107.720 -12.195 -1.997 1.00 0.00 C ATOM 1405 O SER A 525 106.690 -12.579 -2.552 1.00 0.00 O ATOM 1406 CB SER A 525 108.206 -12.663 0.415 1.00 0.00 C ATOM 1407 OG SER A 525 107.393 -13.823 0.415 1.00 0.00 O ATOM 0 H SER A 525 105.595 -11.790 -0.576 1.00 0.00 H new ATOM 0 HA SER A 525 108.332 -10.748 -0.563 1.00 0.00 H new ATOM 0 HB2 SER A 525 109.231 -12.934 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.228 -12.231 1.415 1.00 0.00 H new ATOM 0 HG SER A 525 107.747 -14.471 1.059 1.00 0.00 H new ATOM 1413 N GLY A 526 108.918 -12.249 -2.570 1.00 0.00 N ATOM 1414 CA GLY A 526 109.081 -12.778 -3.912 1.00 0.00 C ATOM 1415 C GLY A 526 108.195 -12.086 -4.925 1.00 0.00 C ATOM 1416 O GLY A 526 107.690 -10.993 -4.675 1.00 0.00 O ATOM 0 H GLY A 526 109.782 -11.935 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.123 -12.673 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 526 108.856 -13.845 -3.907 1.00 0.00 H new ATOM 1420 N ASP A 527 108.006 -12.725 -6.074 1.00 0.00 N ATOM 1421 CA ASP A 527 107.176 -12.160 -7.127 1.00 0.00 C ATOM 1422 C ASP A 527 105.950 -11.475 -6.535 1.00 0.00 C ATOM 1423 O ASP A 527 105.441 -10.504 -7.093 1.00 0.00 O ATOM 1424 CB ASP A 527 106.742 -13.255 -8.105 1.00 0.00 C ATOM 1425 CG ASP A 527 107.914 -14.065 -8.623 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.644 -13.560 -9.501 1.00 0.00 O ATOM 1427 OD2 ASP A 527 108.102 -15.206 -8.149 1.00 0.00 O ATOM 0 H ASP A 527 108.416 -13.632 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 527 107.764 -11.417 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.034 -13.920 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 527 106.218 -12.801 -8.946 1.00 0.00 H new ATOM 1432 N HIS A 528 105.482 -11.984 -5.399 1.00 0.00 N ATOM 1433 CA HIS A 528 104.318 -11.410 -4.735 1.00 0.00 C ATOM 1434 C HIS A 528 104.612 -9.992 -4.251 1.00 0.00 C ATOM 1435 O HIS A 528 103.814 -9.075 -4.463 1.00 0.00 O ATOM 1436 CB HIS A 528 103.896 -12.286 -3.553 1.00 0.00 C ATOM 1437 CG HIS A 528 102.421 -12.538 -3.485 1.00 0.00 C ATOM 1438 ND1 HIS A 528 101.813 -13.160 -2.412 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.428 -12.254 -4.362 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.514 -13.247 -2.634 1.00 0.00 C ATOM 1441 NE2 HIS A 528 100.255 -12.705 -3.809 1.00 0.00 N ATOM 0 H HIS A 528 105.889 -12.788 -4.922 1.00 0.00 H new ATOM 0 HA HIS A 528 103.503 -11.367 -5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.416 -13.242 -3.617 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.217 -11.810 -2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.539 -11.764 -5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 528 99.787 -13.687 -1.967 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.332 -12.633 -4.237 1.00 0.00 H new ATOM 1450 N GLU A 529 105.765 -9.814 -3.605 1.00 0.00 N ATOM 1451 CA GLU A 529 106.157 -8.503 -3.100 1.00 0.00 C ATOM 1452 C GLU A 529 106.439 -7.542 -4.249 1.00 0.00 C ATOM 1453 O GLU A 529 105.980 -6.399 -4.243 1.00 0.00 O ATOM 1454 CB GLU A 529 107.385 -8.635 -2.191 1.00 0.00 C ATOM 1455 CG GLU A 529 108.715 -8.498 -2.916 1.00 0.00 C ATOM 1456 CD GLU A 529 109.890 -8.921 -2.059 1.00 0.00 C ATOM 1457 OE1 GLU A 529 109.759 -8.897 -0.817 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.943 -9.277 -2.628 1.00 0.00 O ATOM 0 H GLU A 529 106.438 -10.558 -3.421 1.00 0.00 H new ATOM 0 HA GLU A 529 105.332 -8.095 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.329 -7.875 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.353 -9.605 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.695 -9.103 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 529 108.851 -7.462 -3.227 1.00 0.00 H new ATOM 1465 N GLN A 530 107.188 -8.015 -5.237 1.00 0.00 N ATOM 1466 CA GLN A 530 107.520 -7.200 -6.398 1.00 0.00 C ATOM 1467 C GLN A 530 106.261 -6.853 -7.183 1.00 0.00 C ATOM 1468 O GLN A 530 106.111 -5.739 -7.684 1.00 0.00 O ATOM 1469 CB GLN A 530 108.518 -7.933 -7.297 1.00 0.00 C ATOM 1470 CG GLN A 530 107.864 -8.858 -8.310 1.00 0.00 C ATOM 1471 CD GLN A 530 107.383 -8.123 -9.545 1.00 0.00 C ATOM 1472 OE1 GLN A 530 107.782 -6.986 -9.800 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.518 -8.767 -10.320 1.00 0.00 N ATOM 0 H GLN A 530 107.577 -8.958 -5.257 1.00 0.00 H new ATOM 0 HA GLN A 530 107.979 -6.275 -6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.123 -7.198 -7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 530 109.197 -8.514 -6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 530 108.576 -9.629 -8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 530 107.020 -9.365 -7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.213 -9.708 -10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.158 -8.320 -11.163 1.00 0.00 H new ATOM 1482 N ARG A 531 105.363 -7.826 -7.287 1.00 0.00 N ATOM 1483 CA ARG A 531 104.112 -7.649 -8.013 1.00 0.00 C ATOM 1484 C ARG A 531 103.321 -6.461 -7.473 1.00 0.00 C ATOM 1485 O ARG A 531 102.933 -5.571 -8.230 1.00 0.00 O ATOM 1486 CB ARG A 531 103.269 -8.923 -7.932 1.00 0.00 C ATOM 1487 CG ARG A 531 101.878 -8.773 -8.527 1.00 0.00 C ATOM 1488 CD ARG A 531 100.798 -9.064 -7.497 1.00 0.00 C ATOM 1489 NE ARG A 531 99.716 -9.874 -8.052 1.00 0.00 N ATOM 1490 CZ ARG A 531 99.890 -11.097 -8.542 1.00 0.00 C ATOM 1491 NH1 ARG A 531 101.100 -11.639 -8.556 1.00 0.00 N ATOM 1492 NH2 ARG A 531 98.856 -11.778 -9.018 1.00 0.00 N ATOM 0 H ARG A 531 105.480 -8.751 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 531 104.355 -7.446 -9.056 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.791 -9.727 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.178 -9.222 -6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.753 -7.761 -8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.768 -9.451 -9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.239 -9.583 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 531 100.392 -8.124 -7.122 1.00 0.00 H new ATOM 0 HE ARG A 531 98.776 -9.479 -8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 531 101.897 -11.117 -8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 531 101.234 -12.578 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.924 -11.363 -9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 531 98.993 -12.716 -9.393 1.00 0.00 H new ATOM 1506 N TYR A 532 103.081 -6.448 -6.163 1.00 0.00 N ATOM 1507 CA TYR A 532 102.331 -5.356 -5.549 1.00 0.00 C ATOM 1508 C TYR A 532 103.049 -4.027 -5.765 1.00 0.00 C ATOM 1509 O TYR A 532 102.425 -3.021 -6.105 1.00 0.00 O ATOM 1510 CB TYR A 532 102.142 -5.610 -4.052 1.00 0.00 C ATOM 1511 CG TYR A 532 101.418 -4.490 -3.337 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.081 -3.319 -2.990 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.072 -4.603 -3.012 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.421 -2.292 -2.338 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.407 -3.580 -2.360 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.086 -2.428 -2.026 1.00 0.00 C ATOM 1517 OH TYR A 532 99.425 -1.408 -1.378 1.00 0.00 O ATOM 0 H TYR A 532 103.391 -7.172 -5.514 1.00 0.00 H new ATOM 0 HA TYR A 532 101.351 -5.307 -6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.585 -6.537 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.119 -5.754 -3.590 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.128 -3.209 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.536 -5.504 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 532 101.950 -1.388 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.361 -3.684 -2.114 1.00 0.00 H new ATOM 0 HH TYR A 532 98.471 -1.622 -1.319 1.00 0.00 H new ATOM 1527 N TRP A 533 104.365 -4.036 -5.580 1.00 0.00 N ATOM 1528 CA TRP A 533 105.166 -2.834 -5.771 1.00 0.00 C ATOM 1529 C TRP A 533 105.056 -2.343 -7.208 1.00 0.00 C ATOM 1530 O TRP A 533 104.926 -1.144 -7.458 1.00 0.00 O ATOM 1531 CB TRP A 533 106.629 -3.110 -5.421 1.00 0.00 C ATOM 1532 CG TRP A 533 106.963 -2.787 -3.998 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.301 -3.670 -3.014 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.984 -1.488 -3.399 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.532 -2.999 -1.838 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.344 -1.658 -2.048 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.736 -0.198 -3.873 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.460 -0.585 -1.168 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.851 0.867 -2.998 1.00 0.00 C ATOM 1540 CH2 TRP A 533 107.211 0.667 -1.660 1.00 0.00 C ATOM 0 H TRP A 533 104.897 -4.860 -5.299 1.00 0.00 H new ATOM 0 HA TRP A 533 104.786 -2.058 -5.107 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.850 -4.160 -5.610 1.00 0.00 H new ATOM 0 HB3 TRP A 533 107.271 -2.526 -6.080 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.376 -4.740 -3.141 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.800 -3.429 -0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.459 -0.035 -4.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.736 -0.736 -0.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.660 1.869 -3.353 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.294 1.519 -1.002 1.00 0.00 H new ATOM 1551 N GLN A 534 105.096 -3.280 -8.149 1.00 0.00 N ATOM 1552 CA GLN A 534 104.986 -2.946 -9.562 1.00 0.00 C ATOM 1553 C GLN A 534 103.681 -2.212 -9.826 1.00 0.00 C ATOM 1554 O GLN A 534 103.651 -1.203 -10.530 1.00 0.00 O ATOM 1555 CB GLN A 534 105.056 -4.210 -10.416 1.00 0.00 C ATOM 1556 CG GLN A 534 106.450 -4.812 -10.499 1.00 0.00 C ATOM 1557 CD GLN A 534 107.424 -3.925 -11.248 1.00 0.00 C ATOM 1558 OE1 GLN A 534 107.035 -3.165 -12.134 1.00 0.00 O ATOM 1559 NE2 GLN A 534 108.701 -4.017 -10.893 1.00 0.00 N ATOM 0 H GLN A 534 105.204 -4.276 -7.958 1.00 0.00 H new ATOM 0 HA GLN A 534 105.819 -2.297 -9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 534 104.372 -4.953 -10.007 1.00 0.00 H new ATOM 0 HB3 GLN A 534 104.709 -3.978 -11.423 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.826 -4.989 -9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 534 106.394 -5.782 -10.993 1.00 0.00 H new ATOM 0 HE21 GLN A 534 108.979 -4.661 -10.153 1.00 0.00 H new ATOM 0 HE22 GLN A 534 109.403 -3.444 -11.361 1.00 0.00 H new ATOM 1568 N LYS A 535 102.602 -2.723 -9.242 1.00 0.00 N ATOM 1569 CA LYS A 535 101.293 -2.110 -9.398 1.00 0.00 C ATOM 1570 C LYS A 535 101.341 -0.667 -8.906 1.00 0.00 C ATOM 1571 O LYS A 535 100.742 0.225 -9.506 1.00 0.00 O ATOM 1572 CB LYS A 535 100.236 -2.922 -8.635 1.00 0.00 C ATOM 1573 CG LYS A 535 99.153 -2.078 -7.981 1.00 0.00 C ATOM 1574 CD LYS A 535 99.648 -1.458 -6.685 1.00 0.00 C ATOM 1575 CE LYS A 535 98.895 -2.004 -5.483 1.00 0.00 C ATOM 1576 NZ LYS A 535 98.402 -0.917 -4.593 1.00 0.00 N ATOM 0 H LYS A 535 102.611 -3.559 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 535 101.016 -2.105 -10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 535 99.767 -3.624 -9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.734 -3.513 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.838 -1.291 -8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 535 98.278 -2.696 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.713 -1.657 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.529 -0.375 -6.729 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.051 -2.603 -5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.548 -2.668 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 98.720 -1.095 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 98.779 -0.004 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 97.363 -0.892 -4.619 1.00 0.00 H new ATOM 1590 N ILE A 536 102.074 -0.446 -7.817 1.00 0.00 N ATOM 1591 CA ILE A 536 102.218 0.891 -7.255 1.00 0.00 C ATOM 1592 C ILE A 536 102.860 1.826 -8.269 1.00 0.00 C ATOM 1593 O ILE A 536 102.412 2.958 -8.463 1.00 0.00 O ATOM 1594 CB ILE A 536 103.082 0.881 -5.978 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.489 -0.064 -4.934 1.00 0.00 C ATOM 1596 CG2 ILE A 536 103.210 2.288 -5.413 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.278 -0.104 -3.644 1.00 0.00 C ATOM 0 H ILE A 536 102.575 -1.175 -7.309 1.00 0.00 H new ATOM 0 HA ILE A 536 101.217 1.241 -7.001 1.00 0.00 H new ATOM 0 HB ILE A 536 104.077 0.521 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.466 0.243 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.438 -1.069 -5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 536 103.823 2.264 -4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.679 2.936 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 536 102.220 2.673 -5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.802 -0.794 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.294 -0.440 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.307 0.893 -3.204 1.00 0.00 H new ATOM 1609 N LEU A 537 103.912 1.340 -8.920 1.00 0.00 N ATOM 1610 CA LEU A 537 104.622 2.123 -9.921 1.00 0.00 C ATOM 1611 C LEU A 537 103.666 2.618 -10.997 1.00 0.00 C ATOM 1612 O LEU A 537 103.565 3.819 -11.247 1.00 0.00 O ATOM 1613 CB LEU A 537 105.732 1.285 -10.562 1.00 0.00 C ATOM 1614 CG LEU A 537 107.128 1.503 -9.979 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.215 0.931 -8.572 1.00 0.00 C ATOM 1616 CD2 LEU A 537 108.181 0.877 -10.879 1.00 0.00 C ATOM 0 H LEU A 537 104.291 0.405 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 537 105.066 2.986 -9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.474 0.231 -10.462 1.00 0.00 H new ATOM 0 HB3 LEU A 537 105.762 1.506 -11.629 1.00 0.00 H new ATOM 0 HG LEU A 537 107.316 2.575 -9.923 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.216 1.096 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 537 106.484 1.426 -7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 537 107.007 -0.139 -8.601 1.00 0.00 H new ATOM 0 HD21 LEU A 537 109.170 1.041 -10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 537 107.996 -0.194 -10.966 1.00 0.00 H new ATOM 0 HD23 LEU A 537 108.134 1.335 -11.867 1.00 0.00 H new ATOM 1628 N VAL A 538 102.962 1.686 -11.635 1.00 0.00 N ATOM 1629 CA VAL A 538 102.017 2.038 -12.684 1.00 0.00 C ATOM 1630 C VAL A 538 100.994 3.049 -12.180 1.00 0.00 C ATOM 1631 O VAL A 538 100.633 3.985 -12.892 1.00 0.00 O ATOM 1632 CB VAL A 538 101.277 0.794 -13.212 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.128 1.200 -14.123 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.242 -0.132 -13.938 1.00 0.00 C ATOM 0 H VAL A 538 103.030 0.687 -11.443 1.00 0.00 H new ATOM 0 HA VAL A 538 102.593 2.481 -13.497 1.00 0.00 H new ATOM 0 HB VAL A 538 100.860 0.254 -12.362 1.00 0.00 H new ATOM 0 HG11 VAL A 538 99.618 0.307 -14.485 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.424 1.819 -13.567 1.00 0.00 H new ATOM 0 HG13 VAL A 538 100.517 1.765 -14.970 1.00 0.00 H new ATOM 0 HG21 VAL A 538 101.702 -1.005 -14.304 1.00 0.00 H new ATOM 0 HG22 VAL A 538 102.690 0.397 -14.779 1.00 0.00 H new ATOM 0 HG23 VAL A 538 103.026 -0.452 -13.251 1.00 0.00 H new ATOM 1644 N ASP A 539 100.538 2.864 -10.945 1.00 0.00 N ATOM 1645 CA ASP A 539 99.569 3.777 -10.354 1.00 0.00 C ATOM 1646 C ASP A 539 100.185 5.159 -10.174 1.00 0.00 C ATOM 1647 O ASP A 539 99.534 6.179 -10.406 1.00 0.00 O ATOM 1648 CB ASP A 539 99.081 3.241 -9.008 1.00 0.00 C ATOM 1649 CG ASP A 539 98.329 4.286 -8.208 1.00 0.00 C ATOM 1650 OD1 ASP A 539 97.143 4.527 -8.514 1.00 0.00 O ATOM 1651 OD2 ASP A 539 98.927 4.865 -7.276 1.00 0.00 O ATOM 0 H ASP A 539 100.822 2.095 -10.338 1.00 0.00 H new ATOM 0 HA ASP A 539 98.716 3.857 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.433 2.381 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.935 2.889 -8.429 1.00 0.00 H new ATOM 1656 N ARG A 540 101.452 5.182 -9.771 1.00 0.00 N ATOM 1657 CA ARG A 540 102.165 6.435 -9.572 1.00 0.00 C ATOM 1658 C ARG A 540 102.287 7.189 -10.890 1.00 0.00 C ATOM 1659 O ARG A 540 102.131 8.409 -10.938 1.00 0.00 O ATOM 1660 CB ARG A 540 103.552 6.176 -8.978 1.00 0.00 C ATOM 1661 CG ARG A 540 103.517 5.672 -7.542 1.00 0.00 C ATOM 1662 CD ARG A 540 102.872 6.684 -6.605 1.00 0.00 C ATOM 1663 NE ARG A 540 102.010 6.043 -5.616 1.00 0.00 N ATOM 1664 CZ ARG A 540 101.365 6.705 -4.659 1.00 0.00 C ATOM 1665 NH1 ARG A 540 101.490 8.021 -4.562 1.00 0.00 N ATOM 1666 NH2 ARG A 540 100.598 6.051 -3.798 1.00 0.00 N ATOM 0 H ARG A 540 102.004 4.347 -9.577 1.00 0.00 H new ATOM 0 HA ARG A 540 101.598 7.047 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 540 104.073 5.446 -9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 540 104.132 7.098 -9.016 1.00 0.00 H new ATOM 0 HG2 ARG A 540 102.965 4.733 -7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 540 104.532 5.460 -7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 540 103.650 7.252 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 540 102.288 7.396 -7.188 1.00 0.00 H new ATOM 0 HE ARG A 540 101.896 5.030 -5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 540 102.081 8.527 -5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 540 100.995 8.528 -3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 540 100.501 5.038 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 540 100.105 6.561 -3.065 1.00 0.00 H new ATOM 1680 N GLN A 541 102.558 6.449 -11.962 1.00 0.00 N ATOM 1681 CA GLN A 541 102.690 7.043 -13.286 1.00 0.00 C ATOM 1682 C GLN A 541 101.377 7.693 -13.703 1.00 0.00 C ATOM 1683 O GLN A 541 101.364 8.797 -14.249 1.00 0.00 O ATOM 1684 CB GLN A 541 103.103 5.984 -14.311 1.00 0.00 C ATOM 1685 CG GLN A 541 104.526 6.150 -14.821 1.00 0.00 C ATOM 1686 CD GLN A 541 105.349 4.886 -14.672 1.00 0.00 C ATOM 1687 OE1 GLN A 541 105.695 4.236 -15.660 1.00 0.00 O ATOM 1688 NE2 GLN A 541 105.668 4.530 -13.434 1.00 0.00 N ATOM 0 H GLN A 541 102.690 5.438 -11.938 1.00 0.00 H new ATOM 0 HA GLN A 541 103.466 7.808 -13.246 1.00 0.00 H new ATOM 0 HB2 GLN A 541 103.000 4.996 -13.861 1.00 0.00 H new ATOM 0 HB3 GLN A 541 102.416 6.022 -15.157 1.00 0.00 H new ATOM 0 HG2 GLN A 541 104.500 6.441 -15.871 1.00 0.00 H new ATOM 0 HG3 GLN A 541 105.011 6.961 -14.278 1.00 0.00 H new ATOM 0 HE21 GLN A 541 105.360 5.098 -12.645 1.00 0.00 H new ATOM 0 HE22 GLN A 541 106.221 3.688 -13.272 1.00 0.00 H new ATOM 1697 N ALA A 542 100.272 7.005 -13.431 1.00 0.00 N ATOM 1698 CA ALA A 542 98.954 7.523 -13.765 1.00 0.00 C ATOM 1699 C ALA A 542 98.706 8.838 -13.039 1.00 0.00 C ATOM 1700 O ALA A 542 98.092 9.756 -13.584 1.00 0.00 O ATOM 1701 CB ALA A 542 97.868 6.514 -13.419 1.00 0.00 C ATOM 0 H ALA A 542 100.265 6.090 -12.981 1.00 0.00 H new ATOM 0 HA ALA A 542 98.920 7.702 -14.840 1.00 0.00 H new ATOM 0 HB1 ALA A 542 96.893 6.926 -13.678 1.00 0.00 H new ATOM 0 HB2 ALA A 542 98.034 5.594 -13.979 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.898 6.299 -12.351 1.00 0.00 H new ATOM 1707 N LYS A 543 99.199 8.923 -11.807 1.00 0.00 N ATOM 1708 CA LYS A 543 99.044 10.128 -11.004 1.00 0.00 C ATOM 1709 C LYS A 543 99.648 11.331 -11.722 1.00 0.00 C ATOM 1710 O LYS A 543 99.273 12.475 -11.464 1.00 0.00 O ATOM 1711 CB LYS A 543 99.712 9.948 -9.639 1.00 0.00 C ATOM 1712 CG LYS A 543 98.729 9.892 -8.482 1.00 0.00 C ATOM 1713 CD LYS A 543 98.416 8.458 -8.088 1.00 0.00 C ATOM 1714 CE LYS A 543 97.029 8.043 -8.552 1.00 0.00 C ATOM 1715 NZ LYS A 543 96.084 7.886 -7.412 1.00 0.00 N ATOM 0 H LYS A 543 99.709 8.171 -11.344 1.00 0.00 H new ATOM 0 HA LYS A 543 97.979 10.306 -10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 543 100.300 9.030 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 543 100.408 10.770 -9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 543 99.143 10.424 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 543 97.808 10.404 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 543 99.161 7.790 -8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 543 98.485 8.354 -7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 543 96.640 8.789 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 543 97.096 7.103 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 95.112 8.058 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 96.156 6.921 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 96.323 8.570 -6.666 1.00 0.00 H new ATOM 1729 N LEU A 544 100.587 11.061 -12.625 1.00 0.00 N ATOM 1730 CA LEU A 544 101.247 12.116 -13.385 1.00 0.00 C ATOM 1731 C LEU A 544 100.221 13.012 -14.069 1.00 0.00 C ATOM 1732 O LEU A 544 100.490 14.182 -14.346 1.00 0.00 O ATOM 1733 CB LEU A 544 102.190 11.510 -14.427 1.00 0.00 C ATOM 1734 CG LEU A 544 103.408 12.368 -14.775 1.00 0.00 C ATOM 1735 CD1 LEU A 544 104.582 12.020 -13.875 1.00 0.00 C ATOM 1736 CD2 LEU A 544 103.783 12.189 -16.238 1.00 0.00 C ATOM 0 H LEU A 544 100.908 10.119 -12.848 1.00 0.00 H new ATOM 0 HA LEU A 544 101.828 12.723 -12.691 1.00 0.00 H new ATOM 0 HB2 LEU A 544 102.538 10.544 -14.062 1.00 0.00 H new ATOM 0 HB3 LEU A 544 101.625 11.321 -15.340 1.00 0.00 H new ATOM 0 HG LEU A 544 103.151 13.414 -14.611 1.00 0.00 H new ATOM 0 HD11 LEU A 544 105.439 12.641 -14.138 1.00 0.00 H new ATOM 0 HD12 LEU A 544 104.309 12.200 -12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 544 104.842 10.969 -14.005 1.00 0.00 H new ATOM 0 HD21 LEU A 544 104.651 12.806 -16.469 1.00 0.00 H new ATOM 0 HD22 LEU A 544 104.021 11.142 -16.427 1.00 0.00 H new ATOM 0 HD23 LEU A 544 102.946 12.490 -16.868 1.00 0.00 H new ATOM 1748 N ASN A 545 99.046 12.454 -14.339 1.00 0.00 N ATOM 1749 CA ASN A 545 97.976 13.200 -14.991 1.00 0.00 C ATOM 1750 C ASN A 545 97.075 13.867 -13.958 1.00 0.00 C ATOM 1751 O ASN A 545 96.928 15.089 -13.946 1.00 0.00 O ATOM 1752 CB ASN A 545 97.151 12.271 -15.883 1.00 0.00 C ATOM 1753 CG ASN A 545 98.014 11.487 -16.852 1.00 0.00 C ATOM 1754 OD1 ASN A 545 97.935 10.260 -16.918 1.00 0.00 O ATOM 1755 ND2 ASN A 545 98.844 12.194 -17.609 1.00 0.00 N ATOM 0 H ASN A 545 98.810 11.487 -14.116 1.00 0.00 H new ATOM 0 HA ASN A 545 98.428 13.976 -15.608 1.00 0.00 H new ATOM 0 HB2 ASN A 545 96.588 11.577 -15.259 1.00 0.00 H new ATOM 0 HB3 ASN A 545 96.424 12.859 -16.442 1.00 0.00 H new ATOM 0 HD21 ASN A 545 99.450 11.722 -18.280 1.00 0.00 H new ATOM 0 HD22 ASN A 545 98.876 13.210 -17.520 1.00 0.00 H new ATOM 1762 N GLN A 546 96.475 13.057 -13.092 1.00 0.00 N ATOM 1763 CA GLN A 546 95.589 13.571 -12.054 1.00 0.00 C ATOM 1764 C GLN A 546 96.144 14.861 -11.461 1.00 0.00 C ATOM 1765 O GLN A 546 97.021 14.835 -10.598 1.00 0.00 O ATOM 1766 CB GLN A 546 95.402 12.529 -10.949 1.00 0.00 C ATOM 1767 CG GLN A 546 94.070 12.643 -10.228 1.00 0.00 C ATOM 1768 CD GLN A 546 93.330 11.322 -10.161 1.00 0.00 C ATOM 1769 OE1 GLN A 546 93.102 10.778 -9.081 1.00 0.00 O ATOM 1770 NE2 GLN A 546 92.952 10.797 -11.322 1.00 0.00 N ATOM 0 H GLN A 546 96.586 12.043 -13.088 1.00 0.00 H new ATOM 0 HA GLN A 546 94.622 13.784 -12.509 1.00 0.00 H new ATOM 0 HB2 GLN A 546 95.488 11.532 -11.382 1.00 0.00 H new ATOM 0 HB3 GLN A 546 96.209 12.632 -10.223 1.00 0.00 H new ATOM 0 HG2 GLN A 546 94.239 13.013 -9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 546 93.447 13.379 -10.737 1.00 0.00 H new ATOM 0 HE21 GLN A 546 93.162 11.283 -12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 546 92.452 9.908 -11.341 1.00 0.00 H new ATOM 1779 N PRO A 547 95.633 16.013 -11.921 1.00 0.00 N ATOM 1780 CA PRO A 547 96.076 17.323 -11.437 1.00 0.00 C ATOM 1781 C PRO A 547 96.064 17.407 -9.915 1.00 0.00 C ATOM 1782 O PRO A 547 95.046 17.744 -9.310 1.00 0.00 O ATOM 1783 CB PRO A 547 95.053 18.286 -12.039 1.00 0.00 C ATOM 1784 CG PRO A 547 94.563 17.596 -13.264 1.00 0.00 C ATOM 1785 CD PRO A 547 94.584 16.126 -12.949 1.00 0.00 C ATOM 0 HA PRO A 547 97.104 17.542 -11.725 1.00 0.00 H new ATOM 0 HB2 PRO A 547 94.238 18.484 -11.343 1.00 0.00 H new ATOM 0 HB3 PRO A 547 95.507 19.247 -12.280 1.00 0.00 H new ATOM 0 HG2 PRO A 547 93.556 17.925 -13.521 1.00 0.00 H new ATOM 0 HG3 PRO A 547 95.200 17.821 -14.119 1.00 0.00 H new ATOM 0 HD2 PRO A 547 93.619 15.781 -12.578 1.00 0.00 H new ATOM 0 HD3 PRO A 547 94.819 15.529 -13.830 1.00 0.00 H new ATOM 1793 N ARG A 548 97.201 17.095 -9.304 1.00 0.00 N ATOM 1794 CA ARG A 548 97.322 17.131 -7.852 1.00 0.00 C ATOM 1795 C ARG A 548 98.486 18.018 -7.425 1.00 0.00 C ATOM 1796 O ARG A 548 99.157 18.624 -8.261 1.00 0.00 O ATOM 1797 CB ARG A 548 97.519 15.717 -7.304 1.00 0.00 C ATOM 1798 CG ARG A 548 96.429 15.280 -6.340 1.00 0.00 C ATOM 1799 CD ARG A 548 96.519 13.792 -6.040 1.00 0.00 C ATOM 1800 NE ARG A 548 95.375 13.316 -5.269 1.00 0.00 N ATOM 1801 CZ ARG A 548 95.020 12.038 -5.193 1.00 0.00 C ATOM 1802 NH1 ARG A 548 95.716 11.113 -5.843 1.00 0.00 N ATOM 1803 NH2 ARG A 548 93.969 11.682 -4.468 1.00 0.00 N ATOM 0 H ARG A 548 98.052 16.814 -9.792 1.00 0.00 H new ATOM 0 HA ARG A 548 96.401 17.549 -7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 548 97.558 15.016 -8.137 1.00 0.00 H new ATOM 0 HB3 ARG A 548 98.483 15.664 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 548 96.513 15.846 -5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 548 95.452 15.509 -6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 548 96.580 13.237 -6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 548 97.437 13.589 -5.488 1.00 0.00 H new ATOM 0 HE ARG A 548 94.817 14.002 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 548 96.525 11.383 -6.402 1.00 0.00 H new ATOM 0 HH12 ARG A 548 95.442 10.132 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 548 93.431 12.390 -3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 548 93.698 10.700 -4.411 1.00 0.00 H new ATOM 1817 N GLU A 549 98.720 18.086 -6.120 1.00 0.00 N ATOM 1818 CA GLU A 549 99.806 18.895 -5.581 1.00 0.00 C ATOM 1819 C GLU A 549 101.158 18.286 -5.939 1.00 0.00 C ATOM 1820 O GLU A 549 101.877 17.791 -5.072 1.00 0.00 O ATOM 1821 CB GLU A 549 99.672 19.019 -4.062 1.00 0.00 C ATOM 1822 CG GLU A 549 98.585 19.989 -3.626 1.00 0.00 C ATOM 1823 CD GLU A 549 98.330 19.944 -2.133 1.00 0.00 C ATOM 1824 OE1 GLU A 549 99.206 19.446 -1.395 1.00 0.00 O ATOM 1825 OE2 GLU A 549 97.254 20.408 -1.700 1.00 0.00 O ATOM 0 H GLU A 549 98.173 17.591 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 549 99.745 19.889 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 549 99.460 18.036 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 549 100.626 19.344 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 549 98.870 21.001 -3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 549 97.661 19.756 -4.156 1.00 0.00 H new ATOM 1832 N LYS A 550 101.492 18.321 -7.225 1.00 0.00 N ATOM 1833 CA LYS A 550 102.754 17.768 -7.704 1.00 0.00 C ATOM 1834 C LYS A 550 103.759 18.875 -8.009 1.00 0.00 C ATOM 1835 O LYS A 550 104.917 18.603 -8.326 1.00 0.00 O ATOM 1836 CB LYS A 550 102.514 16.921 -8.956 1.00 0.00 C ATOM 1837 CG LYS A 550 102.583 15.425 -8.699 1.00 0.00 C ATOM 1838 CD LYS A 550 103.844 15.050 -7.937 1.00 0.00 C ATOM 1839 CE LYS A 550 104.606 13.936 -8.637 1.00 0.00 C ATOM 1840 NZ LYS A 550 106.031 14.302 -8.872 1.00 0.00 N ATOM 0 H LYS A 550 100.906 18.727 -7.955 1.00 0.00 H new ATOM 0 HA LYS A 550 103.169 17.139 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 550 101.535 17.166 -9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 550 103.254 17.186 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 550 101.707 15.111 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 550 102.557 14.890 -9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 550 104.486 15.926 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 550 103.580 14.734 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 550 104.559 13.029 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 550 104.127 13.711 -9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 106.517 13.517 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 106.077 15.153 -9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 106.495 14.492 -7.961 1.00 0.00 H new ATOM 1854 N LYS A 551 103.311 20.123 -7.913 1.00 0.00 N ATOM 1855 CA LYS A 551 104.177 21.265 -8.182 1.00 0.00 C ATOM 1856 C LYS A 551 104.363 22.115 -6.929 1.00 0.00 C ATOM 1857 O LYS A 551 103.714 23.149 -6.766 1.00 0.00 O ATOM 1858 CB LYS A 551 103.595 22.116 -9.312 1.00 0.00 C ATOM 1859 CG LYS A 551 104.480 22.169 -10.548 1.00 0.00 C ATOM 1860 CD LYS A 551 103.868 21.395 -11.705 1.00 0.00 C ATOM 1861 CE LYS A 551 102.574 22.035 -12.179 1.00 0.00 C ATOM 1862 NZ LYS A 551 102.817 23.325 -12.880 1.00 0.00 N ATOM 0 H LYS A 551 102.356 20.368 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 551 105.153 20.887 -8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 551 102.619 21.718 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 551 103.434 23.130 -8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 551 104.632 23.207 -10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 551 105.461 21.757 -10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 551 104.578 21.351 -12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 551 103.675 20.368 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 551 102.054 21.350 -12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 551 101.918 22.204 -11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 101.929 23.662 -13.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 103.164 24.030 -12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 103.527 23.186 -13.627 1.00 0.00 H new ATOM 1876 N ARG A 552 105.255 21.674 -6.049 1.00 0.00 N ATOM 1877 CA ARG A 552 105.529 22.393 -4.811 1.00 0.00 C ATOM 1878 C ARG A 552 106.291 23.683 -5.092 1.00 0.00 C ATOM 1879 O ARG A 552 107.443 23.837 -4.687 1.00 0.00 O ATOM 1880 CB ARG A 552 106.331 21.515 -3.849 1.00 0.00 C ATOM 1881 CG ARG A 552 105.495 20.454 -3.152 1.00 0.00 C ATOM 1882 CD ARG A 552 105.422 19.175 -3.971 1.00 0.00 C ATOM 1883 NE ARG A 552 105.085 18.017 -3.148 1.00 0.00 N ATOM 1884 CZ ARG A 552 105.893 17.517 -2.219 1.00 0.00 C ATOM 1885 NH1 ARG A 552 107.082 18.062 -2.008 1.00 0.00 N ATOM 1886 NH2 ARG A 552 105.512 16.468 -1.503 1.00 0.00 N ATOM 0 H ARG A 552 105.801 20.821 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 552 104.575 22.645 -4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 552 107.135 21.028 -4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 552 106.799 22.149 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 552 105.923 20.237 -2.173 1.00 0.00 H new ATOM 0 HG3 ARG A 552 104.489 20.836 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 552 104.676 19.290 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 552 106.380 19.004 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 552 104.181 17.568 -3.294 1.00 0.00 H new ATOM 0 HH11 ARG A 552 107.379 18.867 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 552 107.700 17.676 -1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 552 104.598 16.044 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 552 106.133 16.085 -0.790 1.00 0.00 H new ATOM 1900 N GLY A 553 105.641 24.607 -5.792 1.00 0.00 N ATOM 1901 CA GLY A 553 106.273 25.872 -6.117 1.00 0.00 C ATOM 1902 C GLY A 553 105.563 27.056 -5.492 1.00 0.00 C ATOM 1903 O GLY A 553 104.949 26.933 -4.433 1.00 0.00 O ATOM 0 H GLY A 553 104.688 24.502 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 553 107.309 25.854 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 553 106.294 25.996 -7.200 1.00 0.00 H new ATOM 1907 N THR A 554 105.651 28.209 -6.149 1.00 0.00 N ATOM 1908 CA THR A 554 105.013 29.424 -5.654 1.00 0.00 C ATOM 1909 C THR A 554 105.828 30.055 -4.530 1.00 0.00 C ATOM 1910 O THR A 554 106.198 31.227 -4.602 1.00 0.00 O ATOM 1911 CB THR A 554 103.586 29.147 -5.146 1.00 0.00 C ATOM 1912 OG1 THR A 554 102.983 28.056 -5.852 1.00 0.00 O ATOM 1913 CG2 THR A 554 102.704 30.375 -5.312 1.00 0.00 C ATOM 0 H THR A 554 106.158 28.327 -7.026 1.00 0.00 H new ATOM 0 HA THR A 554 104.961 30.116 -6.495 1.00 0.00 H new ATOM 0 HB THR A 554 103.670 28.891 -4.090 1.00 0.00 H new ATOM 0 HG1 THR A 554 102.079 27.903 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 554 101.701 30.155 -4.946 1.00 0.00 H new ATOM 0 HG22 THR A 554 103.124 31.204 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 554 102.654 30.647 -6.366 1.00 0.00 H new ATOM 1921 N GLU A 555 106.107 29.272 -3.493 1.00 0.00 N ATOM 1922 CA GLU A 555 106.878 29.757 -2.357 1.00 0.00 C ATOM 1923 C GLU A 555 108.010 28.792 -2.018 1.00 0.00 C ATOM 1924 O GLU A 555 107.782 27.600 -1.812 1.00 0.00 O ATOM 1925 CB GLU A 555 105.971 29.950 -1.140 1.00 0.00 C ATOM 1926 CG GLU A 555 104.836 28.942 -1.061 1.00 0.00 C ATOM 1927 CD GLU A 555 104.523 28.525 0.364 1.00 0.00 C ATOM 1928 OE1 GLU A 555 103.412 28.836 0.844 1.00 0.00 O ATOM 1929 OE2 GLU A 555 105.390 27.887 0.998 1.00 0.00 O ATOM 0 H GLU A 555 105.810 28.299 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 555 107.314 30.718 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 555 106.573 29.879 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 555 105.551 30.956 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 555 103.942 29.371 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 555 105.098 28.059 -1.645 1.00 0.00 H new ATOM 1936 N LYS A 556 109.230 29.315 -1.967 1.00 0.00 N ATOM 1937 CA LYS A 556 110.399 28.502 -1.655 1.00 0.00 C ATOM 1938 C LYS A 556 111.673 29.336 -1.720 1.00 0.00 C ATOM 1939 O LYS A 556 112.464 29.206 -2.653 1.00 0.00 O ATOM 1940 CB LYS A 556 110.500 27.322 -2.626 1.00 0.00 C ATOM 1941 CG LYS A 556 111.563 26.305 -2.239 1.00 0.00 C ATOM 1942 CD LYS A 556 110.984 24.902 -2.136 1.00 0.00 C ATOM 1943 CE LYS A 556 111.739 23.923 -3.020 1.00 0.00 C ATOM 1944 NZ LYS A 556 110.916 22.730 -3.360 1.00 0.00 N ATOM 0 H LYS A 556 109.435 30.299 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 556 110.285 28.121 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 556 109.533 26.822 -2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 556 110.718 27.701 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 556 112.364 26.315 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 556 112.007 26.587 -1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 556 111.025 24.565 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 556 109.933 24.919 -2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 556 112.046 24.425 -3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 556 112.649 23.603 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 111.468 22.088 -3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 110.644 22.235 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 110.060 23.032 -3.868 1.00 0.00 H new ATOM 1958 N LEU A 557 111.866 30.193 -0.722 1.00 0.00 N ATOM 1959 CA LEU A 557 113.046 31.047 -0.668 1.00 0.00 C ATOM 1960 C LEU A 557 114.314 30.237 -0.914 1.00 0.00 C ATOM 1961 O LEU A 557 114.532 29.201 -0.286 1.00 0.00 O ATOM 1962 CB LEU A 557 113.134 31.748 0.688 1.00 0.00 C ATOM 1963 CG LEU A 557 112.019 32.755 0.974 1.00 0.00 C ATOM 1964 CD1 LEU A 557 110.995 32.161 1.929 1.00 0.00 C ATOM 1965 CD2 LEU A 557 112.599 34.041 1.545 1.00 0.00 C ATOM 0 H LEU A 557 111.221 30.314 0.059 1.00 0.00 H new ATOM 0 HA LEU A 557 112.955 31.798 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 557 113.127 30.990 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 557 114.092 32.264 0.751 1.00 0.00 H new ATOM 0 HG LEU A 557 111.517 32.990 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 557 110.209 32.892 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 557 110.558 31.267 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 557 111.483 31.898 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 557 111.793 34.747 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 557 113.126 33.822 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 557 113.295 34.476 0.828 1.00 0.00 H new ATOM 1977 N ILE A 558 115.152 30.718 -1.826 1.00 0.00 N ATOM 1978 CA ILE A 558 116.401 30.039 -2.148 1.00 0.00 C ATOM 1979 C ILE A 558 117.579 31.005 -2.084 1.00 0.00 C ATOM 1980 O ILE A 558 117.395 32.222 -2.063 1.00 0.00 O ATOM 1981 CB ILE A 558 116.357 29.398 -3.547 1.00 0.00 C ATOM 1982 CG1 ILE A 558 115.333 30.112 -4.431 1.00 0.00 C ATOM 1983 CG2 ILE A 558 116.032 27.915 -3.441 1.00 0.00 C ATOM 1984 CD1 ILE A 558 115.654 31.572 -4.670 1.00 0.00 C ATOM 0 H ILE A 558 114.989 31.575 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 558 116.531 29.253 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 558 117.339 29.503 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 558 115.274 29.599 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 558 114.349 30.036 -3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 558 116.005 27.476 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 558 116.797 27.416 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 558 115.061 27.789 -2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 558 114.886 32.014 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 558 115.684 32.099 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 558 116.623 31.656 -5.162 1.00 0.00 H new ATOM 1996 N THR A 559 118.788 30.454 -2.058 1.00 0.00 N ATOM 1997 CA THR A 559 119.996 31.268 -2.001 1.00 0.00 C ATOM 1998 C THR A 559 120.710 31.281 -3.348 1.00 0.00 C ATOM 1999 O THR A 559 121.927 31.108 -3.419 1.00 0.00 O ATOM 2000 CB THR A 559 120.968 30.757 -0.921 1.00 0.00 C ATOM 2001 OG1 THR A 559 120.304 30.573 0.336 1.00 0.00 O ATOM 2002 CG2 THR A 559 122.117 31.733 -0.720 1.00 0.00 C ATOM 0 H THR A 559 118.957 29.448 -2.075 1.00 0.00 H new ATOM 0 HA THR A 559 119.685 32.281 -1.747 1.00 0.00 H new ATOM 0 HB THR A 559 121.352 29.799 -1.270 1.00 0.00 H new ATOM 0 HG1 THR A 559 120.946 30.247 1.000 1.00 0.00 H new ATOM 0 HG21 THR A 559 122.790 31.350 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 559 122.663 31.850 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 559 121.723 32.700 -0.407 1.00 0.00 H new ATOM 2010 N LYS A 560 119.943 31.487 -4.415 1.00 0.00 N ATOM 2011 CA LYS A 560 120.499 31.521 -5.762 1.00 0.00 C ATOM 2012 C LYS A 560 120.924 30.127 -6.212 1.00 0.00 C ATOM 2013 O LYS A 560 120.464 29.121 -5.669 1.00 0.00 O ATOM 2014 CB LYS A 560 121.694 32.475 -5.819 1.00 0.00 C ATOM 2015 CG LYS A 560 121.527 33.711 -4.951 1.00 0.00 C ATOM 2016 CD LYS A 560 120.145 34.324 -5.110 1.00 0.00 C ATOM 2017 CE LYS A 560 119.951 34.913 -6.497 1.00 0.00 C ATOM 2018 NZ LYS A 560 119.010 36.067 -6.484 1.00 0.00 N ATOM 0 H LYS A 560 118.934 31.633 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 560 119.724 31.880 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 560 122.591 31.940 -5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 560 121.852 32.785 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 560 121.691 33.447 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 560 122.285 34.448 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 560 119.386 33.563 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 560 120.003 35.102 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 560 120.914 35.235 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 560 119.572 34.143 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 118.905 36.440 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 118.083 35.755 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 119.384 36.813 -5.863 1.00 0.00 H new ATOM 2032 N ALA A 561 121.805 30.073 -7.206 1.00 0.00 N ATOM 2033 CA ALA A 561 122.292 28.802 -7.727 1.00 0.00 C ATOM 2034 C ALA A 561 123.587 28.389 -7.037 1.00 0.00 C ATOM 2035 O ALA A 561 123.644 28.470 -5.791 1.00 0.00 O ATOM 2036 CB ALA A 561 122.501 28.876 -9.233 1.00 0.00 C ATOM 2037 OXT ALA A 561 124.533 27.988 -7.746 1.00 0.00 O ATOM 0 H ALA A 561 122.196 30.895 -7.666 1.00 0.00 H new ATOM 0 HA ALA A 561 121.534 28.047 -7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 561 122.865 27.915 -9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 561 121.556 29.115 -9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 561 123.233 29.651 -9.461 1.00 0.00 H new TER 2043 ALA A 561