USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 556 LYS NZ :NH3+ -150:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 559 THR OG1 : rot -140:sc= 1.01 USER MOD Set 2.1: A 514 ASN : amide:sc= -1.72 K(o=-2,f=1.1) USER MOD Set 2.2: A 518 CYS SG : rot 180:sc= -0.265 USER MOD Set 3.1: A 504 GLN : amide:sc= 0.426 X(o=-0.92,f=-1.2) USER MOD Set 3.2: A 508 ASN : amide:sc= -1.34! X(o=-0.92!,f=-1.2) USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= -2.19! K(o=-2.2!,f=-1.1) USER MOD Single : A 439 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 441 HIS : no HD1:sc= -0.958 X(o=-0.96,f=-0.71) USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 443 HIS : no HD1:sc= -3.02! C(o=-3!,f=-9.3!) USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 445 ASN : amide:sc= -5.29! C(o=-5.3!,f=-14!) USER MOD Single : A 447 THR OG1 : rot 4:sc= 0.729 USER MOD Single : A 450 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.082) USER MOD Single : A 453 SER OG : rot 85:sc= 0.906 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot -18:sc= -6.86! USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 474 THR OG1 : rot 68:sc= -0.59 USER MOD Single : A 479 SER OG : rot -143:sc= 0.486 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 493 CYS SG : rot 132:sc= -8.16! USER MOD Single : A 494 HIS : no HD1:sc= -4.92! C(o=-4.9!,f=-8.1!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 510 TYR OH : rot 180:sc= 0 USER MOD Single : A 511 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HE2:sc= -8.44! C(o=-8.4!,f=-10!) USER MOD Single : A 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.902 K(o=-0.9,f=-1.7) USER MOD Single : A 530 GLN : amide:sc= -0.963 K(o=-0.96,f=0) USER MOD Single : A 532 TYR OH : rot 64:sc= -2.86! USER MOD Single : A 534 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.6) USER MOD Single : A 535 LYS NZ :NH3+ -151:sc= -0.775! (180deg=-2.31!) USER MOD Single : A 541 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.52) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 546 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 LYS NZ :NH3+ -161:sc= -0.483 (180deg=-1.35!) USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.0992 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 133.451 -5.328 21.874 1.00 0.00 N ATOM 2 CA MET A 437 133.020 -4.564 23.074 1.00 0.00 C ATOM 3 C MET A 437 131.598 -4.039 22.910 1.00 0.00 C ATOM 4 O MET A 437 130.774 -4.156 23.816 1.00 0.00 O ATOM 5 CB MET A 437 133.992 -3.402 23.284 1.00 0.00 C ATOM 6 CG MET A 437 134.571 -3.341 24.688 1.00 0.00 C ATOM 7 SD MET A 437 135.829 -4.599 24.977 1.00 0.00 S ATOM 8 CE MET A 437 136.760 -3.851 26.312 1.00 0.00 C ATOM 0 HA MET A 437 133.028 -5.223 23.942 1.00 0.00 H new ATOM 0 HB2 MET A 437 134.808 -3.487 22.567 1.00 0.00 H new ATOM 0 HB3 MET A 437 133.477 -2.465 23.071 1.00 0.00 H new ATOM 0 HG2 MET A 437 135.004 -2.355 24.855 1.00 0.00 H new ATOM 0 HG3 MET A 437 133.767 -3.464 25.414 1.00 0.00 H new ATOM 0 HE1 MET A 437 137.576 -4.513 26.602 1.00 0.00 H new ATOM 0 HE2 MET A 437 137.168 -2.896 25.981 1.00 0.00 H new ATOM 0 HE3 MET A 437 136.104 -3.688 27.167 1.00 0.00 H new ATOM 20 N HIS A 438 131.317 -3.460 21.748 1.00 0.00 N ATOM 21 CA HIS A 438 129.994 -2.917 21.465 1.00 0.00 C ATOM 22 C HIS A 438 129.796 -2.725 19.965 1.00 0.00 C ATOM 23 O HIS A 438 129.118 -1.792 19.533 1.00 0.00 O ATOM 24 CB HIS A 438 129.798 -1.587 22.192 1.00 0.00 C ATOM 25 CG HIS A 438 128.377 -1.112 22.191 1.00 0.00 C ATOM 26 ND1 HIS A 438 127.920 -0.100 23.008 1.00 0.00 N ATOM 27 CD2 HIS A 438 127.310 -1.517 21.464 1.00 0.00 C ATOM 28 CE1 HIS A 438 126.631 0.095 22.784 1.00 0.00 C ATOM 29 NE2 HIS A 438 126.239 -0.752 21.851 1.00 0.00 N ATOM 0 H HIS A 438 131.988 -3.355 20.987 1.00 0.00 H new ATOM 0 HA HIS A 438 129.252 -3.630 21.824 1.00 0.00 H new ATOM 0 HB2 HIS A 438 130.138 -1.691 23.222 1.00 0.00 H new ATOM 0 HB3 HIS A 438 130.427 -0.830 21.724 1.00 0.00 H new ATOM 0 HD2 HIS A 438 127.303 -2.298 20.718 1.00 0.00 H new ATOM 0 HE1 HIS A 438 126.006 0.823 23.280 1.00 0.00 H new ATOM 0 HE2 HIS A 438 125.293 -0.826 21.478 1.00 0.00 H new ATOM 38 N HIS A 439 130.391 -3.614 19.177 1.00 0.00 N ATOM 39 CA HIS A 439 130.281 -3.544 17.724 1.00 0.00 C ATOM 40 C HIS A 439 128.827 -3.375 17.295 1.00 0.00 C ATOM 41 O HIS A 439 127.919 -3.947 17.899 1.00 0.00 O ATOM 42 CB HIS A 439 130.870 -4.804 17.087 1.00 0.00 C ATOM 43 CG HIS A 439 132.365 -4.849 17.120 1.00 0.00 C ATOM 44 ND1 HIS A 439 133.089 -5.996 16.871 1.00 0.00 N ATOM 45 CD2 HIS A 439 133.276 -3.879 17.374 1.00 0.00 C ATOM 46 CE1 HIS A 439 134.380 -5.729 16.971 1.00 0.00 C ATOM 47 NE2 HIS A 439 134.519 -4.453 17.273 1.00 0.00 N ATOM 0 H HIS A 439 130.955 -4.392 19.520 1.00 0.00 H new ATOM 0 HA HIS A 439 130.844 -2.675 17.383 1.00 0.00 H new ATOM 0 HB2 HIS A 439 130.477 -5.680 17.603 1.00 0.00 H new ATOM 0 HB3 HIS A 439 130.536 -4.868 16.052 1.00 0.00 H new ATOM 0 HD2 HIS A 439 133.064 -2.847 17.612 1.00 0.00 H new ATOM 0 HE1 HIS A 439 135.184 -6.436 16.829 1.00 0.00 H new ATOM 0 HE2 HIS A 439 135.407 -3.970 17.410 1.00 0.00 H new ATOM 56 N HIS A 440 128.613 -2.587 16.247 1.00 0.00 N ATOM 57 CA HIS A 440 127.270 -2.341 15.735 1.00 0.00 C ATOM 58 C HIS A 440 127.324 -1.828 14.300 1.00 0.00 C ATOM 59 O HIS A 440 128.046 -0.878 13.996 1.00 0.00 O ATOM 60 CB HIS A 440 126.537 -1.334 16.623 1.00 0.00 C ATOM 61 CG HIS A 440 125.050 -1.509 16.625 1.00 0.00 C ATOM 62 ND1 HIS A 440 124.409 -2.492 17.350 1.00 0.00 N ATOM 63 CD2 HIS A 440 124.075 -0.818 15.988 1.00 0.00 C ATOM 64 CE1 HIS A 440 123.105 -2.399 17.159 1.00 0.00 C ATOM 65 NE2 HIS A 440 122.877 -1.391 16.336 1.00 0.00 N ATOM 0 H HIS A 440 129.353 -2.107 15.735 1.00 0.00 H new ATOM 0 HA HIS A 440 126.725 -3.285 15.746 1.00 0.00 H new ATOM 0 HB2 HIS A 440 126.907 -1.426 17.644 1.00 0.00 H new ATOM 0 HB3 HIS A 440 126.775 -0.325 16.287 1.00 0.00 H new ATOM 0 HD2 HIS A 440 124.214 0.026 15.329 1.00 0.00 H new ATOM 0 HE1 HIS A 440 122.354 -3.038 17.600 1.00 0.00 H new ATOM 0 HE2 HIS A 440 121.959 -1.087 16.011 1.00 0.00 H new ATOM 74 N HIS A 441 126.556 -2.462 13.420 1.00 0.00 N ATOM 75 CA HIS A 441 126.518 -2.070 12.017 1.00 0.00 C ATOM 76 C HIS A 441 125.887 -3.166 11.164 1.00 0.00 C ATOM 77 O HIS A 441 125.321 -2.892 10.105 1.00 0.00 O ATOM 78 CB HIS A 441 127.930 -1.764 11.513 1.00 0.00 C ATOM 79 CG HIS A 441 128.149 -0.320 11.184 1.00 0.00 C ATOM 80 ND1 HIS A 441 129.362 0.180 10.759 1.00 0.00 N ATOM 81 CD2 HIS A 441 127.300 0.735 11.216 1.00 0.00 C ATOM 82 CE1 HIS A 441 129.250 1.479 10.544 1.00 0.00 C ATOM 83 NE2 HIS A 441 128.009 1.839 10.814 1.00 0.00 N ATOM 0 H HIS A 441 125.952 -3.250 13.654 1.00 0.00 H new ATOM 0 HA HIS A 441 125.907 -1.171 11.932 1.00 0.00 H new ATOM 0 HB2 HIS A 441 128.651 -2.069 12.271 1.00 0.00 H new ATOM 0 HB3 HIS A 441 128.128 -2.364 10.625 1.00 0.00 H new ATOM 0 HD2 HIS A 441 126.259 0.712 11.504 1.00 0.00 H new ATOM 0 HE1 HIS A 441 130.039 2.134 10.205 1.00 0.00 H new ATOM 0 HE2 HIS A 441 127.637 2.786 10.736 1.00 0.00 H new ATOM 92 N HIS A 442 125.988 -4.406 11.631 1.00 0.00 N ATOM 93 CA HIS A 442 125.425 -5.541 10.910 1.00 0.00 C ATOM 94 C HIS A 442 124.111 -5.159 10.239 1.00 0.00 C ATOM 95 O HIS A 442 123.258 -4.511 10.846 1.00 0.00 O ATOM 96 CB HIS A 442 125.204 -6.719 11.861 1.00 0.00 C ATOM 97 CG HIS A 442 124.839 -7.990 11.161 1.00 0.00 C ATOM 98 ND1 HIS A 442 123.646 -8.650 11.372 1.00 0.00 N ATOM 99 CD2 HIS A 442 125.516 -8.725 10.247 1.00 0.00 C ATOM 100 CE1 HIS A 442 123.605 -9.735 10.619 1.00 0.00 C ATOM 101 NE2 HIS A 442 124.727 -9.802 9.927 1.00 0.00 N ATOM 0 H HIS A 442 126.454 -4.650 12.505 1.00 0.00 H new ATOM 0 HA HIS A 442 126.134 -5.837 10.137 1.00 0.00 H new ATOM 0 HB2 HIS A 442 126.111 -6.881 12.443 1.00 0.00 H new ATOM 0 HB3 HIS A 442 124.414 -6.463 12.567 1.00 0.00 H new ATOM 0 HD2 HIS A 442 126.494 -8.505 9.845 1.00 0.00 H new ATOM 0 HE1 HIS A 442 122.793 -10.445 10.577 1.00 0.00 H new ATOM 0 HE2 HIS A 442 124.969 -10.536 9.261 1.00 0.00 H new ATOM 110 N HIS A 443 123.956 -5.563 8.984 1.00 0.00 N ATOM 111 CA HIS A 443 122.746 -5.262 8.228 1.00 0.00 C ATOM 112 C HIS A 443 122.885 -5.724 6.780 1.00 0.00 C ATOM 113 O HIS A 443 123.997 -5.900 6.280 1.00 0.00 O ATOM 114 CB HIS A 443 122.453 -3.761 8.268 1.00 0.00 C ATOM 115 CG HIS A 443 121.505 -3.363 9.358 1.00 0.00 C ATOM 116 ND1 HIS A 443 121.809 -2.414 10.312 1.00 0.00 N ATOM 117 CD2 HIS A 443 120.251 -3.790 9.641 1.00 0.00 C ATOM 118 CE1 HIS A 443 120.785 -2.276 11.135 1.00 0.00 C ATOM 119 NE2 HIS A 443 119.827 -3.098 10.749 1.00 0.00 N ATOM 0 H HIS A 443 124.653 -6.100 8.468 1.00 0.00 H new ATOM 0 HA HIS A 443 121.916 -5.799 8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 443 123.390 -3.220 8.398 1.00 0.00 H new ATOM 0 HB3 HIS A 443 122.038 -3.455 7.308 1.00 0.00 H new ATOM 0 HD2 HIS A 443 119.690 -4.535 9.097 1.00 0.00 H new ATOM 0 HE1 HIS A 443 120.739 -1.605 11.980 1.00 0.00 H new ATOM 0 HE2 HIS A 443 118.918 -3.202 11.201 1.00 0.00 H new ATOM 128 N SER A 444 121.754 -5.916 6.112 1.00 0.00 N ATOM 129 CA SER A 444 121.756 -6.356 4.723 1.00 0.00 C ATOM 130 C SER A 444 122.498 -5.355 3.839 1.00 0.00 C ATOM 131 O SER A 444 122.617 -4.179 4.183 1.00 0.00 O ATOM 132 CB SER A 444 120.324 -6.536 4.219 1.00 0.00 C ATOM 133 OG SER A 444 120.263 -7.509 3.190 1.00 0.00 O ATOM 0 H SER A 444 120.825 -5.774 6.509 1.00 0.00 H new ATOM 0 HA SER A 444 122.273 -7.314 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 444 119.679 -6.835 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 444 119.944 -5.585 3.847 1.00 0.00 H new ATOM 0 HG SER A 444 119.336 -7.606 2.886 1.00 0.00 H new ATOM 139 N ASN A 445 122.995 -5.830 2.703 1.00 0.00 N ATOM 140 CA ASN A 445 123.726 -4.975 1.773 1.00 0.00 C ATOM 141 C ASN A 445 123.637 -5.516 0.348 1.00 0.00 C ATOM 142 O ASN A 445 124.273 -6.514 0.011 1.00 0.00 O ATOM 143 CB ASN A 445 125.193 -4.855 2.196 1.00 0.00 C ATOM 144 CG ASN A 445 125.614 -5.956 3.152 1.00 0.00 C ATOM 145 OD1 ASN A 445 124.920 -6.249 4.124 1.00 0.00 O ATOM 146 ND2 ASN A 445 126.759 -6.571 2.879 1.00 0.00 N ATOM 0 H ASN A 445 122.906 -6.801 2.403 1.00 0.00 H new ATOM 0 HA ASN A 445 123.268 -3.986 1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 445 125.827 -4.886 1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 445 125.353 -3.886 2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 445 127.094 -7.319 3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 445 127.303 -6.296 2.062 1.00 0.00 H new ATOM 153 N ALA A 446 122.843 -4.848 -0.482 1.00 0.00 N ATOM 154 CA ALA A 446 122.669 -5.258 -1.870 1.00 0.00 C ATOM 155 C ALA A 446 122.380 -4.052 -2.759 1.00 0.00 C ATOM 156 O ALA A 446 123.278 -3.519 -3.411 1.00 0.00 O ATOM 157 CB ALA A 446 121.552 -6.284 -1.998 1.00 0.00 C ATOM 0 H ALA A 446 122.310 -4.020 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 446 123.600 -5.718 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 446 121.442 -6.574 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 446 121.795 -7.163 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 446 120.617 -5.851 -1.641 1.00 0.00 H new ATOM 163 N THR A 447 121.122 -3.627 -2.775 1.00 0.00 N ATOM 164 CA THR A 447 120.709 -2.480 -3.578 1.00 0.00 C ATOM 165 C THR A 447 121.131 -2.641 -5.036 1.00 0.00 C ATOM 166 O THR A 447 121.547 -3.721 -5.457 1.00 0.00 O ATOM 167 CB THR A 447 121.301 -1.169 -3.028 1.00 0.00 C ATOM 168 OG1 THR A 447 122.721 -1.114 -3.220 1.00 0.00 O ATOM 169 CG2 THR A 447 121.010 -1.026 -1.542 1.00 0.00 C ATOM 0 H THR A 447 120.369 -4.060 -2.241 1.00 0.00 H new ATOM 0 HA THR A 447 119.621 -2.434 -3.523 1.00 0.00 H new ATOM 0 HB THR A 447 120.831 -0.354 -3.579 1.00 0.00 H new ATOM 0 HG1 THR A 447 123.014 -1.904 -3.721 1.00 0.00 H new ATOM 0 HG21 THR A 447 121.438 -0.093 -1.176 1.00 0.00 H new ATOM 0 HG22 THR A 447 119.932 -1.019 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 447 121.452 -1.864 -1.002 1.00 0.00 H new ATOM 177 N GLY A 448 121.017 -1.560 -5.801 1.00 0.00 N ATOM 178 CA GLY A 448 121.387 -1.599 -7.202 1.00 0.00 C ATOM 179 C GLY A 448 120.190 -1.796 -8.113 1.00 0.00 C ATOM 180 O GLY A 448 119.286 -0.962 -8.146 1.00 0.00 O ATOM 0 H GLY A 448 120.674 -0.657 -5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 448 121.892 -0.670 -7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 448 122.100 -2.407 -7.364 1.00 0.00 H new ATOM 184 N PRO A 449 120.161 -2.902 -8.873 1.00 0.00 N ATOM 185 CA PRO A 449 119.069 -3.204 -9.792 1.00 0.00 C ATOM 186 C PRO A 449 117.918 -3.941 -9.111 1.00 0.00 C ATOM 187 O PRO A 449 117.787 -5.159 -9.241 1.00 0.00 O ATOM 188 CB PRO A 449 119.746 -4.100 -10.824 1.00 0.00 C ATOM 189 CG PRO A 449 120.812 -4.823 -10.066 1.00 0.00 C ATOM 190 CD PRO A 449 121.202 -3.943 -8.899 1.00 0.00 C ATOM 0 HA PRO A 449 118.612 -2.306 -10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 449 119.036 -4.797 -11.269 1.00 0.00 H new ATOM 0 HB3 PRO A 449 120.170 -3.513 -11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 449 120.448 -5.789 -9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 449 121.673 -5.020 -10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 449 121.227 -4.506 -7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 449 122.194 -3.512 -9.038 1.00 0.00 H new ATOM 198 N GLN A 450 117.086 -3.196 -8.391 1.00 0.00 N ATOM 199 CA GLN A 450 115.945 -3.780 -7.694 1.00 0.00 C ATOM 200 C GLN A 450 115.193 -2.723 -6.891 1.00 0.00 C ATOM 201 O GLN A 450 115.506 -2.473 -5.727 1.00 0.00 O ATOM 202 CB GLN A 450 116.405 -4.908 -6.767 1.00 0.00 C ATOM 203 CG GLN A 450 115.307 -5.437 -5.858 1.00 0.00 C ATOM 204 CD GLN A 450 113.989 -5.632 -6.583 1.00 0.00 C ATOM 205 OE1 GLN A 450 112.947 -5.147 -6.143 1.00 0.00 O ATOM 206 NE2 GLN A 450 114.029 -6.347 -7.702 1.00 0.00 N ATOM 0 H GLN A 450 117.180 -2.187 -8.275 1.00 0.00 H new ATOM 0 HA GLN A 450 115.268 -4.189 -8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 450 116.791 -5.729 -7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 450 117.231 -4.548 -6.153 1.00 0.00 H new ATOM 0 HG2 GLN A 450 115.624 -6.387 -5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 450 115.162 -4.744 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 450 114.915 -6.731 -8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 450 113.174 -6.512 -8.232 1.00 0.00 H new ATOM 215 N PHE A 451 114.199 -2.106 -7.521 1.00 0.00 N ATOM 216 CA PHE A 451 113.399 -1.077 -6.867 1.00 0.00 C ATOM 217 C PHE A 451 113.110 -1.456 -5.417 1.00 0.00 C ATOM 218 O PHE A 451 112.585 -2.533 -5.140 1.00 0.00 O ATOM 219 CB PHE A 451 112.084 -0.866 -7.622 1.00 0.00 C ATOM 220 CG PHE A 451 111.204 -2.083 -7.649 1.00 0.00 C ATOM 221 CD1 PHE A 451 111.135 -2.880 -8.781 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.443 -2.429 -6.544 1.00 0.00 C ATOM 223 CE1 PHE A 451 110.325 -3.999 -8.808 1.00 0.00 C ATOM 224 CE2 PHE A 451 109.632 -3.547 -6.565 1.00 0.00 C ATOM 225 CZ PHE A 451 109.572 -4.333 -7.699 1.00 0.00 C ATOM 0 H PHE A 451 113.928 -2.301 -8.485 1.00 0.00 H new ATOM 0 HA PHE A 451 113.968 -0.147 -6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 451 111.538 -0.043 -7.161 1.00 0.00 H new ATOM 0 HB3 PHE A 451 112.307 -0.566 -8.646 1.00 0.00 H new ATOM 0 HD1 PHE A 451 111.721 -2.624 -9.651 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.484 -1.817 -5.655 1.00 0.00 H new ATOM 0 HE1 PHE A 451 110.281 -4.612 -9.696 1.00 0.00 H new ATOM 0 HE2 PHE A 451 109.046 -3.806 -5.696 1.00 0.00 H new ATOM 0 HZ PHE A 451 108.938 -5.207 -7.719 1.00 0.00 H new ATOM 235 N VAL A 452 113.450 -0.562 -4.492 1.00 0.00 N ATOM 236 CA VAL A 452 113.214 -0.810 -3.075 1.00 0.00 C ATOM 237 C VAL A 452 111.736 -1.083 -2.823 1.00 0.00 C ATOM 238 O VAL A 452 110.907 -0.178 -2.915 1.00 0.00 O ATOM 239 CB VAL A 452 113.662 0.382 -2.208 1.00 0.00 C ATOM 240 CG1 VAL A 452 113.659 0.004 -0.735 1.00 0.00 C ATOM 241 CG2 VAL A 452 115.039 0.869 -2.637 1.00 0.00 C ATOM 0 H VAL A 452 113.888 0.336 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 452 113.804 -1.683 -2.797 1.00 0.00 H new ATOM 0 HB VAL A 452 112.952 1.197 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 452 113.978 0.859 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 452 112.653 -0.290 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 452 114.344 -0.828 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 452 115.338 1.711 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 452 115.762 0.061 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 452 115.005 1.184 -3.680 1.00 0.00 H new ATOM 251 N SER A 453 111.406 -2.336 -2.522 1.00 0.00 N ATOM 252 CA SER A 453 110.018 -2.725 -2.277 1.00 0.00 C ATOM 253 C SER A 453 109.474 -2.212 -0.937 1.00 0.00 C ATOM 254 O SER A 453 108.438 -2.691 -0.477 1.00 0.00 O ATOM 255 CB SER A 453 109.886 -4.248 -2.330 1.00 0.00 C ATOM 256 OG SER A 453 110.052 -4.820 -1.044 1.00 0.00 O ATOM 0 H SER A 453 112.078 -3.099 -2.442 1.00 0.00 H new ATOM 0 HA SER A 453 109.422 -2.262 -3.063 1.00 0.00 H new ATOM 0 HB2 SER A 453 108.908 -4.518 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 453 110.631 -4.657 -3.012 1.00 0.00 H new ATOM 0 HG SER A 453 109.198 -4.800 -0.564 1.00 0.00 H new ATOM 262 N GLY A 454 110.143 -1.229 -0.331 1.00 0.00 N ATOM 263 CA GLY A 454 109.679 -0.672 0.932 1.00 0.00 C ATOM 264 C GLY A 454 108.933 -1.672 1.801 1.00 0.00 C ATOM 265 O GLY A 454 108.026 -1.294 2.540 1.00 0.00 O ATOM 0 H GLY A 454 110.999 -0.809 -0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 454 110.535 -0.289 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 454 109.026 0.177 0.727 1.00 0.00 H new ATOM 269 N VAL A 455 109.303 -2.947 1.711 1.00 0.00 N ATOM 270 CA VAL A 455 108.643 -3.986 2.497 1.00 0.00 C ATOM 271 C VAL A 455 107.133 -3.753 2.542 1.00 0.00 C ATOM 272 O VAL A 455 106.641 -2.978 3.360 1.00 0.00 O ATOM 273 CB VAL A 455 109.186 -4.042 3.939 1.00 0.00 C ATOM 274 CG1 VAL A 455 109.528 -5.473 4.323 1.00 0.00 C ATOM 275 CG2 VAL A 455 110.402 -3.136 4.098 1.00 0.00 C ATOM 0 H VAL A 455 110.052 -3.284 1.106 1.00 0.00 H new ATOM 0 HA VAL A 455 108.854 -4.937 2.007 1.00 0.00 H new ATOM 0 HB VAL A 455 108.407 -3.681 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 455 109.910 -5.494 5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 455 108.633 -6.091 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 455 110.287 -5.861 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 455 110.767 -3.193 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 455 111.188 -3.459 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 455 110.122 -2.108 3.869 1.00 0.00 H new ATOM 285 N ILE A 456 106.407 -4.423 1.650 1.00 0.00 N ATOM 286 CA ILE A 456 104.955 -4.277 1.581 1.00 0.00 C ATOM 287 C ILE A 456 104.239 -5.275 2.484 1.00 0.00 C ATOM 288 O ILE A 456 104.021 -6.426 2.104 1.00 0.00 O ATOM 289 CB ILE A 456 104.438 -4.465 0.145 1.00 0.00 C ATOM 290 CG1 ILE A 456 104.937 -3.336 -0.751 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.917 -4.526 0.131 1.00 0.00 C ATOM 292 CD1 ILE A 456 104.893 -1.973 -0.094 1.00 0.00 C ATOM 0 H ILE A 456 106.799 -5.071 0.967 1.00 0.00 H new ATOM 0 HA ILE A 456 104.738 -3.264 1.921 1.00 0.00 H new ATOM 0 HB ILE A 456 104.823 -5.408 -0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 456 105.962 -3.551 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.335 -3.311 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.568 -4.659 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.581 -5.364 0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.512 -3.598 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.263 -1.221 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 456 103.866 -1.736 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 456 105.519 -1.979 0.799 1.00 0.00 H new ATOM 304 N VAL A 457 103.871 -4.825 3.675 1.00 0.00 N ATOM 305 CA VAL A 457 103.173 -5.678 4.628 1.00 0.00 C ATOM 306 C VAL A 457 101.680 -5.735 4.320 1.00 0.00 C ATOM 307 O VAL A 457 100.982 -4.720 4.372 1.00 0.00 O ATOM 308 CB VAL A 457 103.373 -5.193 6.077 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.485 -3.994 6.374 1.00 0.00 C ATOM 310 CG2 VAL A 457 103.100 -6.324 7.058 1.00 0.00 C ATOM 0 H VAL A 457 104.044 -3.875 4.005 1.00 0.00 H new ATOM 0 HA VAL A 457 103.601 -6.676 4.530 1.00 0.00 H new ATOM 0 HB VAL A 457 104.410 -4.880 6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.644 -3.670 7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 457 102.734 -3.179 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 457 101.440 -4.273 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 457 103.246 -5.965 8.077 1.00 0.00 H new ATOM 0 HG22 VAL A 457 102.073 -6.670 6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 457 103.785 -7.149 6.862 1.00 0.00 H new ATOM 320 N LYS A 458 101.201 -6.930 3.990 1.00 0.00 N ATOM 321 CA LYS A 458 99.795 -7.133 3.660 1.00 0.00 C ATOM 322 C LYS A 458 98.953 -7.334 4.916 1.00 0.00 C ATOM 323 O LYS A 458 99.202 -8.248 5.703 1.00 0.00 O ATOM 324 CB LYS A 458 99.638 -8.339 2.734 1.00 0.00 C ATOM 325 CG LYS A 458 98.192 -8.747 2.508 1.00 0.00 C ATOM 326 CD LYS A 458 98.080 -10.216 2.134 1.00 0.00 C ATOM 327 CE LYS A 458 96.696 -10.548 1.601 1.00 0.00 C ATOM 328 NZ LYS A 458 96.754 -11.143 0.236 1.00 0.00 N ATOM 0 H LYS A 458 101.769 -7.776 3.944 1.00 0.00 H new ATOM 0 HA LYS A 458 99.440 -6.237 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 458 100.097 -8.110 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.184 -9.183 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.613 -8.555 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.760 -8.135 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.830 -10.460 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.293 -10.833 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 458 96.203 -11.244 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 458 96.089 -9.643 1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.790 -11.355 -0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 97.201 -10.469 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 97.311 -12.021 0.263 1.00 0.00 H new ATOM 342 N ILE A 459 97.939 -6.490 5.084 1.00 0.00 N ATOM 343 CA ILE A 459 97.041 -6.593 6.227 1.00 0.00 C ATOM 344 C ILE A 459 95.638 -6.987 5.787 1.00 0.00 C ATOM 345 O ILE A 459 95.002 -6.287 5.000 1.00 0.00 O ATOM 346 CB ILE A 459 96.960 -5.281 7.028 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.362 -4.757 7.339 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.168 -5.498 8.313 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.383 -3.684 8.406 1.00 0.00 C ATOM 0 H ILE A 459 97.720 -5.728 4.443 1.00 0.00 H new ATOM 0 HA ILE A 459 97.458 -7.367 6.871 1.00 0.00 H new ATOM 0 HB ILE A 459 96.444 -4.534 6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 459 98.989 -5.589 7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.803 -4.358 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.117 -4.563 8.871 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.159 -5.829 8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.661 -6.257 8.920 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.410 -3.359 8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.783 -2.835 8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 459 97.972 -4.084 9.333 1.00 0.00 H new ATOM 361 N ILE A 460 95.152 -8.093 6.324 1.00 0.00 N ATOM 362 CA ILE A 460 93.809 -8.562 6.012 1.00 0.00 C ATOM 363 C ILE A 460 93.076 -8.914 7.299 1.00 0.00 C ATOM 364 O ILE A 460 93.655 -9.519 8.200 1.00 0.00 O ATOM 365 CB ILE A 460 93.827 -9.772 5.049 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.464 -9.938 4.374 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.224 -11.048 5.773 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.419 -10.569 5.267 1.00 0.00 C ATOM 0 H ILE A 460 95.665 -8.684 6.978 1.00 0.00 H new ATOM 0 HA ILE A 460 93.282 -7.756 5.502 1.00 0.00 H new ATOM 0 HB ILE A 460 94.576 -9.579 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 460 92.108 -8.961 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.583 -10.550 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.227 -11.880 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.220 -10.930 6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.510 -11.251 6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.479 -10.655 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.753 -11.560 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.271 -9.947 6.150 1.00 0.00 H new ATOM 380 N SER A 461 91.816 -8.513 7.402 1.00 0.00 N ATOM 381 CA SER A 461 91.043 -8.779 8.608 1.00 0.00 C ATOM 382 C SER A 461 89.792 -9.593 8.311 1.00 0.00 C ATOM 383 O SER A 461 89.600 -10.086 7.200 1.00 0.00 O ATOM 384 CB SER A 461 90.648 -7.465 9.283 1.00 0.00 C ATOM 385 OG SER A 461 89.719 -6.745 8.492 1.00 0.00 O ATOM 0 H SER A 461 91.312 -8.008 6.674 1.00 0.00 H new ATOM 0 HA SER A 461 91.676 -9.362 9.277 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.214 -7.671 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.537 -6.857 9.450 1.00 0.00 H new ATOM 0 HG SER A 461 89.742 -7.082 7.572 1.00 0.00 H new ATOM 391 N THR A 462 88.945 -9.720 9.325 1.00 0.00 N ATOM 392 CA THR A 462 87.699 -10.465 9.203 1.00 0.00 C ATOM 393 C THR A 462 86.494 -9.545 9.369 1.00 0.00 C ATOM 394 O THR A 462 85.350 -9.982 9.236 1.00 0.00 O ATOM 395 CB THR A 462 87.614 -11.590 10.252 1.00 0.00 C ATOM 396 OG1 THR A 462 88.265 -11.216 11.473 1.00 0.00 O ATOM 397 CG2 THR A 462 88.260 -12.865 9.734 1.00 0.00 C ATOM 0 H THR A 462 89.101 -9.313 10.247 1.00 0.00 H new ATOM 0 HA THR A 462 87.688 -10.904 8.205 1.00 0.00 H new ATOM 0 HB THR A 462 86.555 -11.763 10.444 1.00 0.00 H new ATOM 0 HG1 THR A 462 88.193 -11.949 12.120 1.00 0.00 H new ATOM 0 HG21 THR A 462 88.187 -13.644 10.493 1.00 0.00 H new ATOM 0 HG22 THR A 462 87.747 -13.191 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.309 -12.675 9.508 1.00 0.00 H new ATOM 405 N GLU A 463 86.760 -8.272 9.659 1.00 0.00 N ATOM 406 CA GLU A 463 85.702 -7.284 9.847 1.00 0.00 C ATOM 407 C GLU A 463 86.174 -6.137 10.738 1.00 0.00 C ATOM 408 O GLU A 463 85.917 -4.967 10.451 1.00 0.00 O ATOM 409 CB GLU A 463 84.464 -7.936 10.465 1.00 0.00 C ATOM 410 CG GLU A 463 83.396 -8.303 9.447 1.00 0.00 C ATOM 411 CD GLU A 463 82.207 -7.365 9.488 1.00 0.00 C ATOM 412 OE1 GLU A 463 82.060 -6.554 8.550 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.424 -7.441 10.457 1.00 0.00 O ATOM 0 H GLU A 463 87.704 -7.901 9.769 1.00 0.00 H new ATOM 0 HA GLU A 463 85.446 -6.882 8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.767 -8.835 11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 463 84.034 -7.256 11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.831 -8.289 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.057 -9.322 9.633 1.00 0.00 H new ATOM 420 N PRO A 464 86.867 -6.463 11.841 1.00 0.00 N ATOM 421 CA PRO A 464 87.371 -5.466 12.790 1.00 0.00 C ATOM 422 C PRO A 464 88.031 -4.269 12.112 1.00 0.00 C ATOM 423 O PRO A 464 88.033 -3.165 12.657 1.00 0.00 O ATOM 424 CB PRO A 464 88.396 -6.255 13.600 1.00 0.00 C ATOM 425 CG PRO A 464 87.877 -7.650 13.593 1.00 0.00 C ATOM 426 CD PRO A 464 87.204 -7.838 12.257 1.00 0.00 C ATOM 0 HA PRO A 464 86.567 -5.030 13.383 1.00 0.00 H new ATOM 0 HB2 PRO A 464 89.387 -6.197 13.151 1.00 0.00 H new ATOM 0 HB3 PRO A 464 88.483 -5.868 14.615 1.00 0.00 H new ATOM 0 HG2 PRO A 464 88.686 -8.368 13.726 1.00 0.00 H new ATOM 0 HG3 PRO A 464 87.173 -7.808 14.410 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.866 -8.323 11.540 1.00 0.00 H new ATOM 0 HD3 PRO A 464 86.314 -8.461 12.341 1.00 0.00 H new ATOM 434 N LEU A 465 88.594 -4.485 10.926 1.00 0.00 N ATOM 435 CA LEU A 465 89.257 -3.407 10.197 1.00 0.00 C ATOM 436 C LEU A 465 88.478 -2.104 10.343 1.00 0.00 C ATOM 437 O LEU A 465 87.443 -1.908 9.705 1.00 0.00 O ATOM 438 CB LEU A 465 89.419 -3.767 8.718 1.00 0.00 C ATOM 439 CG LEU A 465 90.861 -3.731 8.206 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.154 -4.940 7.332 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.126 -2.443 7.439 1.00 0.00 C ATOM 0 H LEU A 465 88.605 -5.388 10.452 1.00 0.00 H new ATOM 0 HA LEU A 465 90.250 -3.270 10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.015 -4.766 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 465 88.819 -3.079 8.123 1.00 0.00 H new ATOM 0 HG LEU A 465 91.527 -3.763 9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.184 -4.893 6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.010 -5.852 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.478 -4.943 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.156 -2.437 7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.448 -2.380 6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 465 90.964 -1.588 8.096 1.00 0.00 H new ATOM 453 N PRO A 466 88.970 -1.199 11.200 1.00 0.00 N ATOM 454 CA PRO A 466 88.335 0.093 11.458 1.00 0.00 C ATOM 455 C PRO A 466 88.568 1.095 10.333 1.00 0.00 C ATOM 456 O PRO A 466 87.657 1.818 9.933 1.00 0.00 O ATOM 457 CB PRO A 466 89.006 0.584 12.752 1.00 0.00 C ATOM 458 CG PRO A 466 89.910 -0.523 13.201 1.00 0.00 C ATOM 459 CD PRO A 466 90.186 -1.370 11.995 1.00 0.00 C ATOM 0 HA PRO A 466 87.252 -0.006 11.535 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.570 1.499 12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.261 0.812 13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 466 90.836 -0.123 13.613 1.00 0.00 H new ATOM 0 HG3 PRO A 466 89.439 -1.112 13.988 1.00 0.00 H new ATOM 0 HD2 PRO A 466 91.072 -1.033 11.457 1.00 0.00 H new ATOM 0 HD3 PRO A 466 90.352 -2.414 12.262 1.00 0.00 H new ATOM 467 N GLY A 467 89.798 1.134 9.832 1.00 0.00 N ATOM 468 CA GLY A 467 90.134 2.056 8.762 1.00 0.00 C ATOM 469 C GLY A 467 91.624 2.289 8.652 1.00 0.00 C ATOM 470 O GLY A 467 92.398 1.814 9.482 1.00 0.00 O ATOM 0 H GLY A 467 90.568 0.544 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.759 1.664 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.631 3.008 8.934 1.00 0.00 H new ATOM 474 N ARG A 468 92.029 3.028 7.627 1.00 0.00 N ATOM 475 CA ARG A 468 93.438 3.327 7.413 1.00 0.00 C ATOM 476 C ARG A 468 94.018 4.093 8.596 1.00 0.00 C ATOM 477 O ARG A 468 95.152 3.850 9.008 1.00 0.00 O ATOM 478 CB ARG A 468 93.617 4.134 6.127 1.00 0.00 C ATOM 479 CG ARG A 468 92.467 5.085 5.843 1.00 0.00 C ATOM 480 CD ARG A 468 92.899 6.239 4.954 1.00 0.00 C ATOM 481 NE ARG A 468 91.881 7.284 4.887 1.00 0.00 N ATOM 482 CZ ARG A 468 92.021 8.409 4.195 1.00 0.00 C ATOM 483 NH1 ARG A 468 93.135 8.633 3.511 1.00 0.00 N ATOM 484 NH2 ARG A 468 91.048 9.310 4.184 1.00 0.00 N ATOM 0 H ARG A 468 91.401 3.431 6.931 1.00 0.00 H new ATOM 0 HA ARG A 468 93.975 2.383 7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 468 94.543 4.705 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 468 93.725 3.446 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.654 4.540 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 468 92.077 5.476 6.783 1.00 0.00 H new ATOM 0 HD2 ARG A 468 93.829 6.662 5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 468 93.104 5.867 3.950 1.00 0.00 H new ATOM 0 HE ARG A 468 91.012 7.142 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 468 93.885 7.941 3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 468 93.242 9.497 2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 468 90.189 9.140 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 468 91.158 10.173 3.652 1.00 0.00 H new ATOM 498 N LYS A 469 93.235 5.021 9.138 1.00 0.00 N ATOM 499 CA LYS A 469 93.678 5.820 10.274 1.00 0.00 C ATOM 500 C LYS A 469 93.980 4.933 11.477 1.00 0.00 C ATOM 501 O LYS A 469 95.001 5.105 12.146 1.00 0.00 O ATOM 502 CB LYS A 469 92.614 6.855 10.645 1.00 0.00 C ATOM 503 CG LYS A 469 91.226 6.262 10.834 1.00 0.00 C ATOM 504 CD LYS A 469 90.173 7.055 10.076 1.00 0.00 C ATOM 505 CE LYS A 469 88.769 6.696 10.535 1.00 0.00 C ATOM 506 NZ LYS A 469 88.029 7.885 11.043 1.00 0.00 N ATOM 0 H LYS A 469 92.294 5.237 8.810 1.00 0.00 H new ATOM 0 HA LYS A 469 94.593 6.338 9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.913 7.358 11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.572 7.616 9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 469 91.221 5.228 10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 469 90.977 6.246 11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 469 90.343 8.122 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 469 90.269 6.861 9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 469 88.218 6.253 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 469 88.825 5.941 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 87.076 7.598 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 88.541 8.293 11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 87.952 8.595 10.287 1.00 0.00 H new ATOM 520 N GLN A 470 93.093 3.981 11.750 1.00 0.00 N ATOM 521 CA GLN A 470 93.284 3.077 12.874 1.00 0.00 C ATOM 522 C GLN A 470 94.303 1.996 12.535 1.00 0.00 C ATOM 523 O GLN A 470 95.186 1.696 13.339 1.00 0.00 O ATOM 524 CB GLN A 470 91.956 2.436 13.284 1.00 0.00 C ATOM 525 CG GLN A 470 91.906 2.042 14.752 1.00 0.00 C ATOM 526 CD GLN A 470 90.886 2.842 15.540 1.00 0.00 C ATOM 527 OE1 GLN A 470 91.163 3.954 15.987 1.00 0.00 O ATOM 528 NE2 GLN A 470 89.697 2.276 15.714 1.00 0.00 N ATOM 0 H GLN A 470 92.242 3.818 11.212 1.00 0.00 H new ATOM 0 HA GLN A 470 93.665 3.661 13.712 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.144 3.133 13.074 1.00 0.00 H new ATOM 0 HB3 GLN A 470 91.783 1.551 12.671 1.00 0.00 H new ATOM 0 HG2 GLN A 470 91.669 0.981 14.831 1.00 0.00 H new ATOM 0 HG3 GLN A 470 92.892 2.182 15.195 1.00 0.00 H new ATOM 0 HE21 GLN A 470 89.511 1.351 15.326 1.00 0.00 H new ATOM 0 HE22 GLN A 470 88.970 2.766 16.236 1.00 0.00 H new ATOM 537 N VAL A 471 94.190 1.418 11.341 1.00 0.00 N ATOM 538 CA VAL A 471 95.125 0.381 10.923 1.00 0.00 C ATOM 539 C VAL A 471 96.547 0.921 10.922 1.00 0.00 C ATOM 540 O VAL A 471 97.470 0.271 11.414 1.00 0.00 O ATOM 541 CB VAL A 471 94.795 -0.166 9.519 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.882 -1.125 9.055 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.437 -0.850 9.508 1.00 0.00 C ATOM 0 H VAL A 471 93.470 1.647 10.656 1.00 0.00 H new ATOM 0 HA VAL A 471 95.034 -0.436 11.639 1.00 0.00 H new ATOM 0 HB VAL A 471 94.754 0.674 8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.635 -1.503 8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.837 -0.601 9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 471 95.954 -1.959 9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.228 -1.227 8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.442 -1.680 10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.667 -0.134 9.795 1.00 0.00 H new ATOM 553 N ARG A 472 96.717 2.126 10.384 1.00 0.00 N ATOM 554 CA ARG A 472 98.026 2.762 10.340 1.00 0.00 C ATOM 555 C ARG A 472 98.530 3.031 11.752 1.00 0.00 C ATOM 556 O ARG A 472 99.703 2.816 12.056 1.00 0.00 O ATOM 557 CB ARG A 472 97.969 4.065 9.536 1.00 0.00 C ATOM 558 CG ARG A 472 97.608 5.286 10.366 1.00 0.00 C ATOM 559 CD ARG A 472 97.295 6.484 9.483 1.00 0.00 C ATOM 560 NE ARG A 472 98.316 7.521 9.585 1.00 0.00 N ATOM 561 CZ ARG A 472 98.382 8.394 10.584 1.00 0.00 C ATOM 562 NH1 ARG A 472 97.492 8.351 11.566 1.00 0.00 N ATOM 563 NH2 ARG A 472 99.338 9.312 10.603 1.00 0.00 N ATOM 0 H ARG A 472 95.965 2.679 9.974 1.00 0.00 H new ATOM 0 HA ARG A 472 98.721 2.085 9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.937 4.232 9.064 1.00 0.00 H new ATOM 0 HB3 ARG A 472 97.239 3.954 8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.746 5.059 10.994 1.00 0.00 H new ATOM 0 HG3 ARG A 472 98.433 5.531 11.035 1.00 0.00 H new ATOM 0 HD2 ARG A 472 97.212 6.158 8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.327 6.899 9.765 1.00 0.00 H new ATOM 0 HE ARG A 472 99.019 7.579 8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 472 96.755 7.646 11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 472 97.545 9.022 12.332 1.00 0.00 H new ATOM 0 HH21 ARG A 472 100.025 9.349 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 472 99.387 9.981 11.371 1.00 0.00 H new ATOM 577 N ASP A 473 97.632 3.502 12.615 1.00 0.00 N ATOM 578 CA ASP A 473 97.984 3.798 13.999 1.00 0.00 C ATOM 579 C ASP A 473 98.401 2.530 14.737 1.00 0.00 C ATOM 580 O ASP A 473 99.307 2.553 15.568 1.00 0.00 O ATOM 581 CB ASP A 473 96.806 4.456 14.721 1.00 0.00 C ATOM 582 CG ASP A 473 97.228 5.145 16.004 1.00 0.00 C ATOM 583 OD1 ASP A 473 97.255 6.394 16.025 1.00 0.00 O ATOM 584 OD2 ASP A 473 97.528 4.436 16.987 1.00 0.00 O ATOM 0 H ASP A 473 96.657 3.686 12.379 1.00 0.00 H new ATOM 0 HA ASP A 473 98.827 4.489 13.991 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.337 5.183 14.058 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.054 3.700 14.948 1.00 0.00 H new ATOM 589 N THR A 474 97.731 1.424 14.427 1.00 0.00 N ATOM 590 CA THR A 474 98.031 0.144 15.059 1.00 0.00 C ATOM 591 C THR A 474 99.414 -0.353 14.652 1.00 0.00 C ATOM 592 O THR A 474 100.281 -0.594 15.499 1.00 0.00 O ATOM 593 CB THR A 474 96.985 -0.923 14.685 1.00 0.00 C ATOM 594 OG1 THR A 474 96.317 -0.593 13.462 1.00 0.00 O ATOM 595 CG2 THR A 474 95.939 -1.065 15.780 1.00 0.00 C ATOM 0 H THR A 474 96.976 1.389 13.742 1.00 0.00 H new ATOM 0 HA THR A 474 98.006 0.305 16.137 1.00 0.00 H new ATOM 0 HB THR A 474 97.523 -1.863 14.562 1.00 0.00 H new ATOM 0 HG1 THR A 474 96.948 -0.664 12.715 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.212 -1.824 15.492 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.424 -1.361 16.710 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.431 -0.112 15.923 1.00 0.00 H new ATOM 603 N LEU A 475 99.627 -0.481 13.347 1.00 0.00 N ATOM 604 CA LEU A 475 100.915 -0.923 12.837 1.00 0.00 C ATOM 605 C LEU A 475 101.989 0.070 13.256 1.00 0.00 C ATOM 606 O LEU A 475 103.101 -0.312 13.622 1.00 0.00 O ATOM 607 CB LEU A 475 100.879 -1.063 11.313 1.00 0.00 C ATOM 608 CG LEU A 475 100.236 0.106 10.564 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.305 1.037 10.014 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.345 -0.410 9.444 1.00 0.00 C ATOM 0 H LEU A 475 98.929 -0.286 12.629 1.00 0.00 H new ATOM 0 HA LEU A 475 101.145 -1.903 13.255 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.900 -1.187 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.339 -1.976 11.061 1.00 0.00 H new ATOM 0 HG LEU A 475 99.618 0.670 11.263 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.831 1.863 9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 475 101.904 1.429 10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 475 101.948 0.487 9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 475 98.894 0.433 8.920 1.00 0.00 H new ATOM 0 HD22 LEU A 475 99.942 -0.995 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.559 -1.038 9.864 1.00 0.00 H new ATOM 622 N ALA A 476 101.635 1.351 13.219 1.00 0.00 N ATOM 623 CA ALA A 476 102.550 2.408 13.616 1.00 0.00 C ATOM 624 C ALA A 476 102.807 2.342 15.117 1.00 0.00 C ATOM 625 O ALA A 476 103.846 2.792 15.601 1.00 0.00 O ATOM 626 CB ALA A 476 102.001 3.775 13.235 1.00 0.00 C ATOM 0 H ALA A 476 100.718 1.680 12.917 1.00 0.00 H new ATOM 0 HA ALA A 476 103.492 2.262 13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 476 102.705 4.548 13.543 1.00 0.00 H new ATOM 0 HB2 ALA A 476 101.860 3.822 12.155 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.045 3.935 13.733 1.00 0.00 H new ATOM 632 N ALA A 477 101.852 1.769 15.848 1.00 0.00 N ATOM 633 CA ALA A 477 101.976 1.632 17.292 1.00 0.00 C ATOM 634 C ALA A 477 102.988 0.550 17.634 1.00 0.00 C ATOM 635 O ALA A 477 103.662 0.615 18.662 1.00 0.00 O ATOM 636 CB ALA A 477 100.631 1.322 17.930 1.00 0.00 C ATOM 0 H ALA A 477 100.986 1.394 15.461 1.00 0.00 H new ATOM 0 HA ALA A 477 102.328 2.582 17.694 1.00 0.00 H new ATOM 0 HB1 ALA A 477 100.754 1.225 19.009 1.00 0.00 H new ATOM 0 HB2 ALA A 477 99.932 2.130 17.716 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.242 0.388 17.524 1.00 0.00 H new ATOM 642 N ILE A 478 103.104 -0.439 16.752 1.00 0.00 N ATOM 643 CA ILE A 478 104.054 -1.525 16.952 1.00 0.00 C ATOM 644 C ILE A 478 105.451 -1.077 16.531 1.00 0.00 C ATOM 645 O ILE A 478 106.455 -1.501 17.104 1.00 0.00 O ATOM 646 CB ILE A 478 103.645 -2.789 16.157 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.556 -3.555 16.910 1.00 0.00 C ATOM 648 CG2 ILE A 478 104.846 -3.693 15.906 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.153 -3.210 16.460 1.00 0.00 C ATOM 0 H ILE A 478 102.554 -0.509 15.896 1.00 0.00 H new ATOM 0 HA ILE A 478 104.055 -1.780 18.012 1.00 0.00 H new ATOM 0 HB ILE A 478 103.254 -2.470 15.191 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.718 -4.625 16.778 1.00 0.00 H new ATOM 0 HG13 ILE A 478 102.648 -3.348 17.976 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.529 -4.573 15.346 1.00 0.00 H new ATOM 0 HG22 ILE A 478 105.597 -3.149 15.333 1.00 0.00 H new ATOM 0 HG23 ILE A 478 105.272 -4.005 16.859 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.433 -3.790 17.037 1.00 0.00 H new ATOM 0 HD12 ILE A 478 100.971 -2.147 16.618 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.043 -3.444 15.401 1.00 0.00 H new ATOM 661 N SER A 479 105.498 -0.207 15.528 1.00 0.00 N ATOM 662 CA SER A 479 106.758 0.317 15.019 1.00 0.00 C ATOM 663 C SER A 479 106.506 1.460 14.040 1.00 0.00 C ATOM 664 O SER A 479 105.427 1.565 13.458 1.00 0.00 O ATOM 665 CB SER A 479 107.564 -0.789 14.338 1.00 0.00 C ATOM 666 OG SER A 479 108.834 -0.944 14.948 1.00 0.00 O ATOM 0 H SER A 479 104.672 0.151 15.049 1.00 0.00 H new ATOM 0 HA SER A 479 107.333 0.699 15.862 1.00 0.00 H new ATOM 0 HB2 SER A 479 107.015 -1.729 14.391 1.00 0.00 H new ATOM 0 HB3 SER A 479 107.691 -0.553 13.281 1.00 0.00 H new ATOM 0 HG SER A 479 109.505 -1.142 14.261 1.00 0.00 H new ATOM 672 N GLU A 480 107.508 2.314 13.863 1.00 0.00 N ATOM 673 CA GLU A 480 107.390 3.447 12.955 1.00 0.00 C ATOM 674 C GLU A 480 107.398 2.986 11.500 1.00 0.00 C ATOM 675 O GLU A 480 108.377 2.409 11.027 1.00 0.00 O ATOM 676 CB GLU A 480 108.527 4.440 13.197 1.00 0.00 C ATOM 677 CG GLU A 480 108.260 5.820 12.618 1.00 0.00 C ATOM 678 CD GLU A 480 109.526 6.636 12.445 1.00 0.00 C ATOM 679 OE1 GLU A 480 110.587 6.197 12.935 1.00 0.00 O ATOM 680 OE2 GLU A 480 109.456 7.714 11.817 1.00 0.00 O ATOM 0 H GLU A 480 108.409 2.243 14.336 1.00 0.00 H new ATOM 0 HA GLU A 480 106.438 3.940 13.152 1.00 0.00 H new ATOM 0 HB2 GLU A 480 108.697 4.531 14.270 1.00 0.00 H new ATOM 0 HB3 GLU A 480 109.444 4.043 12.762 1.00 0.00 H new ATOM 0 HG2 GLU A 480 107.765 5.715 11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 480 107.573 6.357 13.272 1.00 0.00 H new ATOM 687 N VAL A 481 106.301 3.248 10.795 1.00 0.00 N ATOM 688 CA VAL A 481 106.182 2.865 9.392 1.00 0.00 C ATOM 689 C VAL A 481 106.349 4.072 8.481 1.00 0.00 C ATOM 690 O VAL A 481 106.309 5.216 8.934 1.00 0.00 O ATOM 691 CB VAL A 481 104.822 2.202 9.099 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.742 0.833 9.756 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.680 3.092 9.563 1.00 0.00 C ATOM 0 H VAL A 481 105.482 3.724 11.173 1.00 0.00 H new ATOM 0 HA VAL A 481 106.977 2.146 9.194 1.00 0.00 H new ATOM 0 HB VAL A 481 104.730 2.068 8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.775 0.381 9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.536 0.196 9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 481 104.858 0.940 10.835 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.729 2.606 9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 481 103.765 3.263 10.636 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.727 4.047 9.039 1.00 0.00 H new ATOM 703 N LEU A 482 106.541 3.810 7.193 1.00 0.00 N ATOM 704 CA LEU A 482 106.718 4.876 6.214 1.00 0.00 C ATOM 705 C LEU A 482 105.374 5.369 5.692 1.00 0.00 C ATOM 706 O LEU A 482 104.961 6.494 5.974 1.00 0.00 O ATOM 707 CB LEU A 482 107.582 4.388 5.049 1.00 0.00 C ATOM 708 CG LEU A 482 108.546 5.429 4.475 1.00 0.00 C ATOM 709 CD1 LEU A 482 108.818 5.148 3.004 1.00 0.00 C ATOM 710 CD2 LEU A 482 107.987 6.833 4.657 1.00 0.00 C ATOM 0 H LEU A 482 106.578 2.868 6.802 1.00 0.00 H new ATOM 0 HA LEU A 482 107.220 5.707 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.159 3.525 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.926 4.043 4.250 1.00 0.00 H new ATOM 0 HG LEU A 482 109.489 5.363 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 482 109.505 5.897 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 482 109.262 4.158 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 482 107.882 5.187 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.686 7.559 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 482 107.031 6.914 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 482 107.843 7.032 5.719 1.00 0.00 H new ATOM 722 N TYR A 483 104.697 4.524 4.920 1.00 0.00 N ATOM 723 CA TYR A 483 103.401 4.888 4.351 1.00 0.00 C ATOM 724 C TYR A 483 102.451 3.697 4.336 1.00 0.00 C ATOM 725 O TYR A 483 102.859 2.574 4.057 1.00 0.00 O ATOM 726 CB TYR A 483 103.580 5.426 2.929 1.00 0.00 C ATOM 727 CG TYR A 483 102.278 5.763 2.236 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.429 4.760 1.781 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.899 7.084 2.033 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.241 5.065 1.145 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.711 7.397 1.399 1.00 0.00 C ATOM 732 CZ TYR A 483 99.886 6.385 0.956 1.00 0.00 C ATOM 733 OH TYR A 483 98.703 6.693 0.324 1.00 0.00 O ATOM 0 H TYR A 483 105.020 3.588 4.675 1.00 0.00 H new ATOM 0 HA TYR A 483 102.966 5.665 4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 483 104.204 6.319 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 483 104.116 4.686 2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 483 101.703 3.726 1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 483 102.543 7.880 2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 483 99.593 4.274 0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 483 100.430 8.429 1.251 1.00 0.00 H new ATOM 0 HH TYR A 483 98.603 7.667 0.273 1.00 0.00 H new ATOM 743 N VAL A 484 101.180 3.952 4.630 1.00 0.00 N ATOM 744 CA VAL A 484 100.175 2.896 4.642 1.00 0.00 C ATOM 745 C VAL A 484 99.263 2.999 3.425 1.00 0.00 C ATOM 746 O VAL A 484 98.536 3.978 3.262 1.00 0.00 O ATOM 747 CB VAL A 484 99.317 2.948 5.919 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.489 1.679 6.057 1.00 0.00 C ATOM 749 CG2 VAL A 484 100.197 3.156 7.142 1.00 0.00 C ATOM 0 H VAL A 484 100.823 4.879 4.863 1.00 0.00 H new ATOM 0 HA VAL A 484 100.711 1.947 4.616 1.00 0.00 H new ATOM 0 HB VAL A 484 98.633 3.793 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 484 97.889 1.733 6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 484 97.832 1.578 5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 484 99.152 0.816 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 484 99.575 3.190 8.036 1.00 0.00 H new ATOM 0 HG22 VAL A 484 100.906 2.332 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 484 100.742 4.095 7.043 1.00 0.00 H new ATOM 759 N ASP A 485 99.312 1.985 2.568 1.00 0.00 N ATOM 760 CA ASP A 485 98.493 1.966 1.362 1.00 0.00 C ATOM 761 C ASP A 485 97.257 1.090 1.549 1.00 0.00 C ATOM 762 O ASP A 485 97.259 -0.088 1.194 1.00 0.00 O ATOM 763 CB ASP A 485 99.311 1.462 0.171 1.00 0.00 C ATOM 764 CG ASP A 485 100.785 1.787 0.302 1.00 0.00 C ATOM 765 OD1 ASP A 485 101.349 2.378 -0.641 1.00 0.00 O ATOM 766 OD2 ASP A 485 101.377 1.450 1.351 1.00 0.00 O ATOM 0 H ASP A 485 99.909 1.167 2.686 1.00 0.00 H new ATOM 0 HA ASP A 485 98.164 2.987 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.187 0.383 0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 485 98.924 1.907 -0.746 1.00 0.00 H new ATOM 771 N LEU A 486 96.200 1.678 2.102 1.00 0.00 N ATOM 772 CA LEU A 486 94.955 0.953 2.329 1.00 0.00 C ATOM 773 C LEU A 486 94.074 1.003 1.087 1.00 0.00 C ATOM 774 O LEU A 486 93.790 2.079 0.562 1.00 0.00 O ATOM 775 CB LEU A 486 94.206 1.542 3.528 1.00 0.00 C ATOM 776 CG LEU A 486 92.734 1.138 3.636 1.00 0.00 C ATOM 777 CD1 LEU A 486 92.532 -0.280 3.123 1.00 0.00 C ATOM 778 CD2 LEU A 486 92.252 1.259 5.074 1.00 0.00 C ATOM 0 H LEU A 486 96.181 2.653 2.401 1.00 0.00 H new ATOM 0 HA LEU A 486 95.198 -0.088 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.718 1.239 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 486 94.265 2.629 3.475 1.00 0.00 H new ATOM 0 HG LEU A 486 92.145 1.815 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 486 91.480 -0.551 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 486 92.839 -0.336 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 486 93.133 -0.970 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 486 91.203 0.968 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 486 92.846 0.606 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 486 92.361 2.291 5.409 1.00 0.00 H new ATOM 790 N LEU A 487 93.645 -0.165 0.618 1.00 0.00 N ATOM 791 CA LEU A 487 92.799 -0.240 -0.565 1.00 0.00 C ATOM 792 C LEU A 487 91.488 0.506 -0.344 1.00 0.00 C ATOM 793 O LEU A 487 90.488 -0.085 0.065 1.00 0.00 O ATOM 794 CB LEU A 487 92.519 -1.701 -0.918 1.00 0.00 C ATOM 795 CG LEU A 487 93.657 -2.417 -1.648 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.382 -3.910 -1.732 1.00 0.00 C ATOM 797 CD2 LEU A 487 93.853 -1.829 -3.037 1.00 0.00 C ATOM 0 H LEU A 487 93.869 -1.067 1.038 1.00 0.00 H new ATOM 0 HA LEU A 487 93.326 0.233 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 487 92.297 -2.245 -0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 487 91.624 -1.744 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 487 94.576 -2.270 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.202 -4.402 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 487 93.294 -4.321 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 487 92.452 -4.079 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 487 94.666 -2.351 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 487 92.935 -1.944 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 487 94.098 -0.770 -2.953 1.00 0.00 H new ATOM 809 N GLU A 488 91.500 1.807 -0.613 1.00 0.00 N ATOM 810 CA GLU A 488 90.313 2.637 -0.441 1.00 0.00 C ATOM 811 C GLU A 488 89.051 1.876 -0.838 1.00 0.00 C ATOM 812 O GLU A 488 88.879 1.504 -1.999 1.00 0.00 O ATOM 813 CB GLU A 488 90.433 3.915 -1.271 1.00 0.00 C ATOM 814 CG GLU A 488 89.397 4.969 -0.917 1.00 0.00 C ATOM 815 CD GLU A 488 89.584 6.256 -1.696 1.00 0.00 C ATOM 816 OE1 GLU A 488 88.690 6.602 -2.495 1.00 0.00 O ATOM 817 OE2 GLU A 488 90.625 6.919 -1.505 1.00 0.00 O ATOM 0 H GLU A 488 92.320 2.310 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 488 90.238 2.902 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 488 91.429 4.336 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 488 90.337 3.663 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 488 88.400 4.573 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 488 89.452 5.183 0.150 1.00 0.00 H new ATOM 824 N GLY A 489 88.168 1.656 0.130 1.00 0.00 N ATOM 825 CA GLY A 489 86.932 0.948 -0.141 1.00 0.00 C ATOM 826 C GLY A 489 87.087 -0.558 -0.045 1.00 0.00 C ATOM 827 O GLY A 489 86.155 -1.304 -0.345 1.00 0.00 O ATOM 0 H GLY A 489 88.287 1.956 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 489 86.168 1.276 0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 489 86.579 1.210 -1.138 1.00 0.00 H new ATOM 831 N ASP A 490 88.266 -1.007 0.373 1.00 0.00 N ATOM 832 CA ASP A 490 88.536 -2.436 0.505 1.00 0.00 C ATOM 833 C ASP A 490 88.921 -2.793 1.937 1.00 0.00 C ATOM 834 O ASP A 490 89.392 -1.946 2.696 1.00 0.00 O ATOM 835 CB ASP A 490 89.648 -2.859 -0.455 1.00 0.00 C ATOM 836 CG ASP A 490 89.390 -4.218 -1.075 1.00 0.00 C ATOM 837 OD1 ASP A 490 89.138 -5.178 -0.316 1.00 0.00 O ATOM 838 OD2 ASP A 490 89.439 -4.324 -2.318 1.00 0.00 O ATOM 0 H ASP A 490 89.049 -0.404 0.626 1.00 0.00 H new ATOM 0 HA ASP A 490 87.622 -2.974 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 490 89.745 -2.115 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 490 90.597 -2.881 0.080 1.00 0.00 H new ATOM 843 N THR A 491 88.708 -4.054 2.299 1.00 0.00 N ATOM 844 CA THR A 491 89.022 -4.532 3.641 1.00 0.00 C ATOM 845 C THR A 491 90.467 -5.009 3.746 1.00 0.00 C ATOM 846 O THR A 491 90.846 -5.655 4.724 1.00 0.00 O ATOM 847 CB THR A 491 88.086 -5.684 4.054 1.00 0.00 C ATOM 848 OG1 THR A 491 87.907 -6.620 2.985 1.00 0.00 O ATOM 849 CG2 THR A 491 86.721 -5.151 4.462 1.00 0.00 C ATOM 0 H THR A 491 88.318 -4.765 1.680 1.00 0.00 H new ATOM 0 HA THR A 491 88.878 -3.687 4.314 1.00 0.00 H new ATOM 0 HB THR A 491 88.556 -6.187 4.899 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.310 -7.340 3.277 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.077 -5.982 4.750 1.00 0.00 H new ATOM 0 HG22 THR A 491 86.834 -4.470 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.273 -4.618 3.623 1.00 0.00 H new ATOM 857 N GLU A 492 91.273 -4.693 2.738 1.00 0.00 N ATOM 858 CA GLU A 492 92.675 -5.096 2.726 1.00 0.00 C ATOM 859 C GLU A 492 93.594 -3.894 2.525 1.00 0.00 C ATOM 860 O GLU A 492 93.446 -3.136 1.565 1.00 0.00 O ATOM 861 CB GLU A 492 92.919 -6.129 1.625 1.00 0.00 C ATOM 862 CG GLU A 492 91.890 -7.248 1.602 1.00 0.00 C ATOM 863 CD GLU A 492 92.513 -8.610 1.368 1.00 0.00 C ATOM 864 OE1 GLU A 492 93.649 -8.831 1.838 1.00 0.00 O ATOM 865 OE2 GLU A 492 91.866 -9.455 0.714 1.00 0.00 O ATOM 0 H GLU A 492 90.980 -4.160 1.919 1.00 0.00 H new ATOM 0 HA GLU A 492 92.904 -5.542 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 492 92.917 -5.625 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.911 -6.561 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.349 -7.258 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 492 91.159 -7.048 0.819 1.00 0.00 H new ATOM 872 N CYS A 493 94.543 -3.728 3.440 1.00 0.00 N ATOM 873 CA CYS A 493 95.492 -2.623 3.371 1.00 0.00 C ATOM 874 C CYS A 493 96.928 -3.143 3.390 1.00 0.00 C ATOM 875 O CYS A 493 97.243 -4.093 4.107 1.00 0.00 O ATOM 876 CB CYS A 493 95.260 -1.658 4.539 1.00 0.00 C ATOM 877 SG CYS A 493 96.136 -2.099 6.059 1.00 0.00 S ATOM 0 H CYS A 493 94.676 -4.347 4.240 1.00 0.00 H new ATOM 0 HA CYS A 493 95.335 -2.089 2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 493 95.567 -0.658 4.234 1.00 0.00 H new ATOM 0 HB3 CYS A 493 94.192 -1.613 4.750 1.00 0.00 H new ATOM 0 HG CYS A 493 96.746 -1.051 6.528 1.00 0.00 H new ATOM 883 N HIS A 494 97.796 -2.516 2.601 1.00 0.00 N ATOM 884 CA HIS A 494 99.198 -2.916 2.533 1.00 0.00 C ATOM 885 C HIS A 494 100.107 -1.735 2.853 1.00 0.00 C ATOM 886 O HIS A 494 100.226 -0.801 2.061 1.00 0.00 O ATOM 887 CB HIS A 494 99.530 -3.468 1.145 1.00 0.00 C ATOM 888 CG HIS A 494 98.731 -4.679 0.775 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.356 -4.731 0.868 1.00 0.00 N ATOM 890 CD2 HIS A 494 99.122 -5.887 0.305 1.00 0.00 C ATOM 891 CE1 HIS A 494 96.936 -5.920 0.472 1.00 0.00 C ATOM 892 NE2 HIS A 494 97.987 -6.639 0.124 1.00 0.00 N ATOM 0 H HIS A 494 97.553 -1.729 2.000 1.00 0.00 H new ATOM 0 HA HIS A 494 99.366 -3.699 3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.358 -2.689 0.403 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.591 -3.717 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 494 100.137 -6.201 0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 494 95.907 -6.248 0.439 1.00 0.00 H new ATOM 0 HE2 HIS A 494 97.960 -7.598 -0.223 1.00 0.00 H new ATOM 901 N ALA A 495 100.733 -1.770 4.025 1.00 0.00 N ATOM 902 CA ALA A 495 101.613 -0.689 4.451 1.00 0.00 C ATOM 903 C ALA A 495 103.058 -0.932 4.028 1.00 0.00 C ATOM 904 O ALA A 495 103.586 -2.033 4.177 1.00 0.00 O ATOM 905 CB ALA A 495 101.540 -0.495 5.957 1.00 0.00 C ATOM 0 H ALA A 495 100.647 -2.534 4.695 1.00 0.00 H new ATOM 0 HA ALA A 495 101.266 0.219 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.205 0.317 6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.517 -0.249 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 495 101.845 -1.414 6.457 1.00 0.00 H new ATOM 911 N ARG A 496 103.693 0.116 3.515 1.00 0.00 N ATOM 912 CA ARG A 496 105.082 0.042 3.082 1.00 0.00 C ATOM 913 C ARG A 496 106.017 0.447 4.220 1.00 0.00 C ATOM 914 O ARG A 496 105.879 1.530 4.796 1.00 0.00 O ATOM 915 CB ARG A 496 105.313 0.946 1.870 1.00 0.00 C ATOM 916 CG ARG A 496 104.040 1.283 1.111 1.00 0.00 C ATOM 917 CD ARG A 496 104.334 1.653 -0.334 1.00 0.00 C ATOM 918 NE ARG A 496 104.805 3.031 -0.462 1.00 0.00 N ATOM 919 CZ ARG A 496 104.857 3.685 -1.619 1.00 0.00 C ATOM 920 NH1 ARG A 496 104.469 3.089 -2.738 1.00 0.00 N ATOM 921 NH2 ARG A 496 105.293 4.937 -1.657 1.00 0.00 N ATOM 0 H ARG A 496 103.264 1.033 3.389 1.00 0.00 H new ATOM 0 HA ARG A 496 105.298 -0.988 2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 496 105.784 1.871 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 496 106.012 0.458 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.362 0.430 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.530 2.111 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.086 0.974 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 496 103.433 1.521 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 496 105.110 3.517 0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 496 104.130 2.127 -2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 496 104.510 3.592 -3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 496 105.589 5.400 -0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 496 105.332 5.437 -2.545 1.00 0.00 H new ATOM 935 N PHE A 497 106.969 -0.427 4.533 1.00 0.00 N ATOM 936 CA PHE A 497 107.933 -0.170 5.598 1.00 0.00 C ATOM 937 C PHE A 497 109.269 0.286 5.023 1.00 0.00 C ATOM 938 O PHE A 497 109.625 -0.069 3.899 1.00 0.00 O ATOM 939 CB PHE A 497 108.135 -1.426 6.448 1.00 0.00 C ATOM 940 CG PHE A 497 106.961 -1.757 7.326 1.00 0.00 C ATOM 941 CD1 PHE A 497 105.666 -1.665 6.840 1.00 0.00 C ATOM 942 CD2 PHE A 497 107.153 -2.161 8.637 1.00 0.00 C ATOM 943 CE1 PHE A 497 104.588 -1.968 7.645 1.00 0.00 C ATOM 944 CE2 PHE A 497 106.076 -2.466 9.447 1.00 0.00 C ATOM 945 CZ PHE A 497 104.792 -2.369 8.950 1.00 0.00 C ATOM 0 H PHE A 497 107.094 -1.323 4.062 1.00 0.00 H new ATOM 0 HA PHE A 497 107.536 0.626 6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.335 -2.271 5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 497 109.018 -1.293 7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 497 105.499 -1.353 5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 497 108.156 -2.238 9.030 1.00 0.00 H new ATOM 0 HE1 PHE A 497 103.584 -1.892 7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 497 106.239 -2.780 10.468 1.00 0.00 H new ATOM 0 HZ PHE A 497 103.948 -2.606 9.581 1.00 0.00 H new ATOM 955 N LYS A 498 110.001 1.081 5.796 1.00 0.00 N ATOM 956 CA LYS A 498 111.294 1.594 5.356 1.00 0.00 C ATOM 957 C LYS A 498 112.397 0.550 5.528 1.00 0.00 C ATOM 958 O LYS A 498 113.456 0.652 4.909 1.00 0.00 O ATOM 959 CB LYS A 498 111.654 2.862 6.133 1.00 0.00 C ATOM 960 CG LYS A 498 113.122 3.239 6.034 1.00 0.00 C ATOM 961 CD LYS A 498 113.308 4.745 5.945 1.00 0.00 C ATOM 962 CE LYS A 498 114.684 5.104 5.409 1.00 0.00 C ATOM 963 NZ LYS A 498 114.652 5.397 3.950 1.00 0.00 N ATOM 0 H LYS A 498 109.722 1.384 6.729 1.00 0.00 H new ATOM 0 HA LYS A 498 111.213 1.831 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 498 111.049 3.689 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 498 111.393 2.722 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 498 113.656 2.857 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 498 113.562 2.765 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 498 112.541 5.170 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 498 113.173 5.189 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 498 115.067 5.972 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 498 115.374 4.282 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 115.610 5.637 3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 114.310 4.560 3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 114.014 6.198 3.771 1.00 0.00 H new ATOM 977 N THR A 499 112.147 -0.450 6.367 1.00 0.00 N ATOM 978 CA THR A 499 113.129 -1.502 6.606 1.00 0.00 C ATOM 979 C THR A 499 112.481 -2.880 6.582 1.00 0.00 C ATOM 980 O THR A 499 111.302 -3.031 6.896 1.00 0.00 O ATOM 981 CB THR A 499 113.843 -1.317 7.955 1.00 0.00 C ATOM 982 OG1 THR A 499 113.110 -0.442 8.821 1.00 0.00 O ATOM 983 CG2 THR A 499 115.235 -0.742 7.752 1.00 0.00 C ATOM 0 H THR A 499 111.278 -0.554 6.890 1.00 0.00 H new ATOM 0 HA THR A 499 113.860 -1.429 5.801 1.00 0.00 H new ATOM 0 HB THR A 499 113.911 -2.302 8.416 1.00 0.00 H new ATOM 0 HG1 THR A 499 113.589 -0.346 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 499 115.723 -0.619 8.719 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.822 -1.420 7.133 1.00 0.00 H new ATOM 0 HG23 THR A 499 115.160 0.227 7.258 1.00 0.00 H new ATOM 991 N PRO A 500 113.258 -3.906 6.209 1.00 0.00 N ATOM 992 CA PRO A 500 112.772 -5.286 6.141 1.00 0.00 C ATOM 993 C PRO A 500 112.601 -5.906 7.522 1.00 0.00 C ATOM 994 O PRO A 500 111.627 -6.611 7.782 1.00 0.00 O ATOM 995 CB PRO A 500 113.876 -6.002 5.366 1.00 0.00 C ATOM 996 CG PRO A 500 115.111 -5.232 5.680 1.00 0.00 C ATOM 997 CD PRO A 500 114.678 -3.799 5.825 1.00 0.00 C ATOM 0 HA PRO A 500 111.789 -5.355 5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 500 113.968 -7.043 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 500 113.672 -6.005 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 500 115.575 -5.595 6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 500 115.850 -5.338 4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 500 115.261 -3.278 6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 500 114.801 -3.246 4.894 1.00 0.00 H new ATOM 1005 N GLU A 501 113.554 -5.633 8.408 1.00 0.00 N ATOM 1006 CA GLU A 501 113.509 -6.159 9.766 1.00 0.00 C ATOM 1007 C GLU A 501 112.308 -5.595 10.519 1.00 0.00 C ATOM 1008 O GLU A 501 111.693 -6.283 11.334 1.00 0.00 O ATOM 1009 CB GLU A 501 114.802 -5.817 10.508 1.00 0.00 C ATOM 1010 CG GLU A 501 115.155 -4.339 10.467 1.00 0.00 C ATOM 1011 CD GLU A 501 116.522 -4.084 9.862 1.00 0.00 C ATOM 1012 OE1 GLU A 501 116.679 -4.294 8.641 1.00 0.00 O ATOM 1013 OE2 GLU A 501 117.434 -3.670 10.607 1.00 0.00 O ATOM 0 H GLU A 501 114.367 -5.050 8.209 1.00 0.00 H new ATOM 0 HA GLU A 501 113.408 -7.243 9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 501 114.708 -6.131 11.548 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.622 -6.390 10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 501 114.401 -3.805 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 501 115.128 -3.934 11.479 1.00 0.00 H new ATOM 1020 N ASP A 502 111.979 -4.340 10.234 1.00 0.00 N ATOM 1021 CA ASP A 502 110.849 -3.680 10.878 1.00 0.00 C ATOM 1022 C ASP A 502 109.556 -4.445 10.619 1.00 0.00 C ATOM 1023 O ASP A 502 108.730 -4.612 11.518 1.00 0.00 O ATOM 1024 CB ASP A 502 110.716 -2.243 10.369 1.00 0.00 C ATOM 1025 CG ASP A 502 110.351 -1.268 11.470 1.00 0.00 C ATOM 1026 OD1 ASP A 502 109.788 -0.198 11.154 1.00 0.00 O ATOM 1027 OD2 ASP A 502 110.628 -1.573 12.649 1.00 0.00 O ATOM 0 H ASP A 502 112.479 -3.759 9.561 1.00 0.00 H new ATOM 0 HA ASP A 502 111.031 -3.663 11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.656 -1.934 9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 502 109.956 -2.206 9.589 1.00 0.00 H new ATOM 1032 N ALA A 503 109.391 -4.914 9.386 1.00 0.00 N ATOM 1033 CA ALA A 503 108.203 -5.668 9.009 1.00 0.00 C ATOM 1034 C ALA A 503 108.163 -7.014 9.728 1.00 0.00 C ATOM 1035 O ALA A 503 107.112 -7.443 10.204 1.00 0.00 O ATOM 1036 CB ALA A 503 108.143 -5.868 7.501 1.00 0.00 C ATOM 0 H ALA A 503 110.066 -4.785 8.632 1.00 0.00 H new ATOM 0 HA ALA A 503 107.330 -5.091 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 503 107.247 -6.434 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 503 108.113 -4.897 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 503 109.025 -6.417 7.171 1.00 0.00 H new ATOM 1042 N GLN A 504 109.317 -7.671 9.808 1.00 0.00 N ATOM 1043 CA GLN A 504 109.415 -8.965 10.476 1.00 0.00 C ATOM 1044 C GLN A 504 109.049 -8.836 11.949 1.00 0.00 C ATOM 1045 O GLN A 504 108.360 -9.686 12.511 1.00 0.00 O ATOM 1046 CB GLN A 504 110.835 -9.525 10.343 1.00 0.00 C ATOM 1047 CG GLN A 504 110.894 -11.044 10.322 1.00 0.00 C ATOM 1048 CD GLN A 504 111.996 -11.600 11.206 1.00 0.00 C ATOM 1049 OE1 GLN A 504 111.728 -12.277 12.199 1.00 0.00 O ATOM 1050 NE2 GLN A 504 113.243 -11.318 10.847 1.00 0.00 N ATOM 0 H GLN A 504 110.196 -7.329 9.419 1.00 0.00 H new ATOM 0 HA GLN A 504 108.715 -9.650 9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 504 111.283 -9.140 9.427 1.00 0.00 H new ATOM 0 HB3 GLN A 504 111.440 -9.158 11.172 1.00 0.00 H new ATOM 0 HG2 GLN A 504 109.935 -11.445 10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 504 111.049 -11.383 9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 504 113.419 -10.753 10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 504 114.025 -11.666 11.402 1.00 0.00 H new ATOM 1059 N ALA A 505 109.537 -7.773 12.574 1.00 0.00 N ATOM 1060 CA ALA A 505 109.280 -7.534 13.986 1.00 0.00 C ATOM 1061 C ALA A 505 107.800 -7.267 14.260 1.00 0.00 C ATOM 1062 O ALA A 505 107.258 -7.728 15.264 1.00 0.00 O ATOM 1063 CB ALA A 505 110.121 -6.375 14.500 1.00 0.00 C ATOM 0 H ALA A 505 110.114 -7.062 12.124 1.00 0.00 H new ATOM 0 HA ALA A 505 109.561 -8.442 14.519 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.912 -6.215 15.558 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.178 -6.607 14.370 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.876 -5.472 13.941 1.00 0.00 H new ATOM 1069 N VAL A 506 107.152 -6.509 13.377 1.00 0.00 N ATOM 1070 CA VAL A 506 105.739 -6.178 13.560 1.00 0.00 C ATOM 1071 C VAL A 506 104.830 -7.395 13.394 1.00 0.00 C ATOM 1072 O VAL A 506 103.894 -7.583 14.171 1.00 0.00 O ATOM 1073 CB VAL A 506 105.282 -5.069 12.592 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.385 -5.530 11.146 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.860 -4.630 12.917 1.00 0.00 C ATOM 0 H VAL A 506 107.576 -6.116 12.537 1.00 0.00 H new ATOM 0 HA VAL A 506 105.650 -5.817 14.585 1.00 0.00 H new ATOM 0 HB VAL A 506 105.945 -4.213 12.719 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.056 -4.729 10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.420 -5.787 10.919 1.00 0.00 H new ATOM 0 HG13 VAL A 506 104.753 -6.405 10.997 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.554 -3.847 12.224 1.00 0.00 H new ATOM 0 HG22 VAL A 506 103.186 -5.481 12.823 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.821 -4.247 13.937 1.00 0.00 H new ATOM 1085 N ILE A 507 105.101 -8.219 12.386 1.00 0.00 N ATOM 1086 CA ILE A 507 104.286 -9.408 12.144 1.00 0.00 C ATOM 1087 C ILE A 507 104.436 -10.411 13.281 1.00 0.00 C ATOM 1088 O ILE A 507 103.479 -11.088 13.657 1.00 0.00 O ATOM 1089 CB ILE A 507 104.638 -10.099 10.810 1.00 0.00 C ATOM 1090 CG1 ILE A 507 106.151 -10.193 10.632 1.00 0.00 C ATOM 1091 CG2 ILE A 507 104.007 -9.355 9.644 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.677 -11.612 10.659 1.00 0.00 C ATOM 0 H ILE A 507 105.870 -8.089 11.729 1.00 0.00 H new ATOM 0 HA ILE A 507 103.253 -9.066 12.089 1.00 0.00 H new ATOM 0 HB ILE A 507 104.235 -11.112 10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 507 106.426 -9.730 9.684 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.638 -9.619 11.420 1.00 0.00 H new ATOM 0 HG21 ILE A 507 104.265 -9.855 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.924 -9.345 9.763 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.379 -8.331 9.622 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.759 -11.602 10.527 1.00 0.00 H new ATOM 0 HD12 ILE A 507 106.433 -12.072 11.616 1.00 0.00 H new ATOM 0 HD13 ILE A 507 106.219 -12.185 9.853 1.00 0.00 H new ATOM 1104 N ASN A 508 105.638 -10.484 13.839 1.00 0.00 N ATOM 1105 CA ASN A 508 105.904 -11.388 14.951 1.00 0.00 C ATOM 1106 C ASN A 508 105.190 -10.896 16.204 1.00 0.00 C ATOM 1107 O ASN A 508 104.628 -11.681 16.968 1.00 0.00 O ATOM 1108 CB ASN A 508 107.408 -11.490 15.210 1.00 0.00 C ATOM 1109 CG ASN A 508 108.144 -12.183 14.080 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.653 -13.158 13.512 1.00 0.00 O ATOM 1111 ND2 ASN A 508 109.330 -11.683 13.749 1.00 0.00 N ATOM 0 H ASN A 508 106.441 -9.930 13.541 1.00 0.00 H new ATOM 0 HA ASN A 508 105.529 -12.378 14.693 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.819 -10.490 15.348 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.578 -12.035 16.139 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.871 -12.109 12.997 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.699 -10.873 14.247 1.00 0.00 H new ATOM 1118 N ALA A 509 105.218 -9.582 16.397 1.00 0.00 N ATOM 1119 CA ALA A 509 104.578 -8.949 17.544 1.00 0.00 C ATOM 1120 C ALA A 509 103.067 -8.879 17.371 1.00 0.00 C ATOM 1121 O ALA A 509 102.325 -8.750 18.345 1.00 0.00 O ATOM 1122 CB ALA A 509 105.136 -7.551 17.763 1.00 0.00 C ATOM 0 H ALA A 509 105.682 -8.929 15.766 1.00 0.00 H new ATOM 0 HA ALA A 509 104.794 -9.563 18.418 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.646 -7.094 18.623 1.00 0.00 H new ATOM 0 HB2 ALA A 509 106.209 -7.612 17.946 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.953 -6.943 16.877 1.00 0.00 H new ATOM 1128 N TYR A 510 102.618 -8.934 16.124 1.00 0.00 N ATOM 1129 CA TYR A 510 101.196 -8.846 15.819 1.00 0.00 C ATOM 1130 C TYR A 510 100.395 -9.960 16.475 1.00 0.00 C ATOM 1131 O TYR A 510 99.166 -9.892 16.530 1.00 0.00 O ATOM 1132 CB TYR A 510 100.970 -8.866 14.313 1.00 0.00 C ATOM 1133 CG TYR A 510 100.414 -7.565 13.790 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.453 -7.545 12.788 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.854 -6.354 14.306 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.946 -6.352 12.312 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.349 -5.156 13.837 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.397 -5.160 12.839 1.00 0.00 C ATOM 1139 OH TYR A 510 98.892 -3.970 12.367 1.00 0.00 O ATOM 0 H TYR A 510 103.219 -9.039 15.306 1.00 0.00 H new ATOM 0 HA TYR A 510 100.843 -7.899 16.228 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.913 -9.081 13.811 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.284 -9.676 14.063 1.00 0.00 H new ATOM 0 HD1 TYR A 510 99.097 -8.477 12.375 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.602 -6.348 15.085 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.200 -6.352 11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.698 -4.221 14.250 1.00 0.00 H new ATOM 0 HH TYR A 510 99.313 -3.224 12.843 1.00 0.00 H new ATOM 1149 N THR A 511 101.074 -10.973 16.990 1.00 0.00 N ATOM 1150 CA THR A 511 100.379 -12.064 17.652 1.00 0.00 C ATOM 1151 C THR A 511 99.400 -11.495 18.668 1.00 0.00 C ATOM 1152 O THR A 511 98.302 -12.016 18.861 1.00 0.00 O ATOM 1153 CB THR A 511 101.358 -13.014 18.368 1.00 0.00 C ATOM 1154 OG1 THR A 511 100.708 -13.739 19.419 1.00 0.00 O ATOM 1155 CG2 THR A 511 102.523 -12.241 18.964 1.00 0.00 C ATOM 0 H THR A 511 102.090 -11.062 16.963 1.00 0.00 H new ATOM 0 HA THR A 511 99.850 -12.636 16.890 1.00 0.00 H new ATOM 0 HB THR A 511 101.724 -13.716 17.619 1.00 0.00 H new ATOM 0 HG1 THR A 511 101.354 -14.334 19.854 1.00 0.00 H new ATOM 0 HG21 THR A 511 103.201 -12.933 19.464 1.00 0.00 H new ATOM 0 HG22 THR A 511 103.058 -11.719 18.170 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.147 -11.516 19.686 1.00 0.00 H new ATOM 1163 N GLU A 512 99.826 -10.418 19.317 1.00 0.00 N ATOM 1164 CA GLU A 512 99.013 -9.753 20.329 1.00 0.00 C ATOM 1165 C GLU A 512 97.752 -9.151 19.718 1.00 0.00 C ATOM 1166 O GLU A 512 96.730 -9.018 20.392 1.00 0.00 O ATOM 1167 CB GLU A 512 99.828 -8.662 21.026 1.00 0.00 C ATOM 1168 CG GLU A 512 100.392 -9.088 22.374 1.00 0.00 C ATOM 1169 CD GLU A 512 100.476 -7.939 23.360 1.00 0.00 C ATOM 1170 OE1 GLU A 512 99.533 -7.122 23.401 1.00 0.00 O ATOM 1171 OE2 GLU A 512 101.485 -7.857 24.091 1.00 0.00 O ATOM 0 H GLU A 512 100.736 -9.984 19.159 1.00 0.00 H new ATOM 0 HA GLU A 512 98.711 -10.501 21.062 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.650 -8.364 20.376 1.00 0.00 H new ATOM 0 HB3 GLU A 512 99.198 -7.784 21.167 1.00 0.00 H new ATOM 0 HG2 GLU A 512 99.766 -9.876 22.793 1.00 0.00 H new ATOM 0 HG3 GLU A 512 101.386 -9.512 22.230 1.00 0.00 H new ATOM 1178 N ILE A 513 97.827 -8.783 18.443 1.00 0.00 N ATOM 1179 CA ILE A 513 96.686 -8.190 17.755 1.00 0.00 C ATOM 1180 C ILE A 513 95.451 -9.079 17.870 1.00 0.00 C ATOM 1181 O ILE A 513 94.357 -8.599 18.167 1.00 0.00 O ATOM 1182 CB ILE A 513 96.986 -7.944 16.264 1.00 0.00 C ATOM 1183 CG1 ILE A 513 98.211 -7.042 16.110 1.00 0.00 C ATOM 1184 CG2 ILE A 513 95.776 -7.328 15.575 1.00 0.00 C ATOM 1185 CD1 ILE A 513 98.036 -5.672 16.726 1.00 0.00 C ATOM 0 H ILE A 513 98.663 -8.884 17.867 1.00 0.00 H new ATOM 0 HA ILE A 513 96.492 -7.233 18.240 1.00 0.00 H new ATOM 0 HB ILE A 513 97.202 -8.901 15.789 1.00 0.00 H new ATOM 0 HG12 ILE A 513 99.071 -7.530 16.569 1.00 0.00 H new ATOM 0 HG13 ILE A 513 98.437 -6.928 15.050 1.00 0.00 H new ATOM 0 HG21 ILE A 513 96.003 -7.160 14.522 1.00 0.00 H new ATOM 0 HG22 ILE A 513 94.926 -8.005 15.659 1.00 0.00 H new ATOM 0 HG23 ILE A 513 95.532 -6.378 16.050 1.00 0.00 H new ATOM 0 HD11 ILE A 513 98.944 -5.088 16.578 1.00 0.00 H new ATOM 0 HD12 ILE A 513 97.197 -5.164 16.251 1.00 0.00 H new ATOM 0 HD13 ILE A 513 97.841 -5.775 17.793 1.00 0.00 H new ATOM 1197 N ASN A 514 95.630 -10.374 17.631 1.00 0.00 N ATOM 1198 CA ASN A 514 94.526 -11.322 17.708 1.00 0.00 C ATOM 1199 C ASN A 514 93.840 -11.250 19.065 1.00 0.00 C ATOM 1200 O ASN A 514 92.664 -11.591 19.198 1.00 0.00 O ATOM 1201 CB ASN A 514 95.033 -12.743 17.451 1.00 0.00 C ATOM 1202 CG ASN A 514 94.044 -13.801 17.899 1.00 0.00 C ATOM 1203 OD1 ASN A 514 94.416 -14.786 18.536 1.00 0.00 O ATOM 1204 ND2 ASN A 514 92.774 -13.602 17.565 1.00 0.00 N ATOM 0 H ASN A 514 96.528 -10.790 17.383 1.00 0.00 H new ATOM 0 HA ASN A 514 93.797 -11.059 16.942 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.235 -12.866 16.387 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.978 -12.889 17.974 1.00 0.00 H new ATOM 0 HD21 ASN A 514 92.063 -14.280 17.837 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.510 -12.771 17.036 1.00 0.00 H new ATOM 1211 N LYS A 515 94.581 -10.801 20.072 1.00 0.00 N ATOM 1212 CA LYS A 515 94.042 -10.681 21.420 1.00 0.00 C ATOM 1213 C LYS A 515 92.860 -9.719 21.442 1.00 0.00 C ATOM 1214 O LYS A 515 92.066 -9.713 22.383 1.00 0.00 O ATOM 1215 CB LYS A 515 95.125 -10.198 22.386 1.00 0.00 C ATOM 1216 CG LYS A 515 96.455 -10.916 22.216 1.00 0.00 C ATOM 1217 CD LYS A 515 96.671 -11.950 23.310 1.00 0.00 C ATOM 1218 CE LYS A 515 97.089 -13.292 22.731 1.00 0.00 C ATOM 1219 NZ LYS A 515 96.884 -14.403 23.702 1.00 0.00 N ATOM 0 H LYS A 515 95.556 -10.515 19.980 1.00 0.00 H new ATOM 0 HA LYS A 515 93.698 -11.665 21.738 1.00 0.00 H new ATOM 0 HB2 LYS A 515 95.278 -9.128 22.242 1.00 0.00 H new ATOM 0 HB3 LYS A 515 94.775 -10.335 23.409 1.00 0.00 H new ATOM 0 HG2 LYS A 515 96.485 -11.403 21.242 1.00 0.00 H new ATOM 0 HG3 LYS A 515 97.267 -10.190 22.234 1.00 0.00 H new ATOM 0 HD2 LYS A 515 97.436 -11.596 24.001 1.00 0.00 H new ATOM 0 HD3 LYS A 515 95.753 -12.070 23.885 1.00 0.00 H new ATOM 0 HE2 LYS A 515 96.516 -13.491 21.825 1.00 0.00 H new ATOM 0 HE3 LYS A 515 98.139 -13.252 22.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 97.181 -15.301 23.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 97.450 -14.226 24.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 95.878 -14.458 23.959 1.00 0.00 H new ATOM 1233 N LYS A 516 92.751 -8.907 20.396 1.00 0.00 N ATOM 1234 CA LYS A 516 91.668 -7.938 20.288 1.00 0.00 C ATOM 1235 C LYS A 516 90.825 -8.206 19.046 1.00 0.00 C ATOM 1236 O LYS A 516 89.608 -8.031 19.058 1.00 0.00 O ATOM 1237 CB LYS A 516 92.231 -6.517 20.240 1.00 0.00 C ATOM 1238 CG LYS A 516 91.290 -5.470 20.812 1.00 0.00 C ATOM 1239 CD LYS A 516 91.418 -5.375 22.323 1.00 0.00 C ATOM 1240 CE LYS A 516 90.817 -6.592 23.011 1.00 0.00 C ATOM 1241 NZ LYS A 516 90.334 -6.271 24.382 1.00 0.00 N ATOM 0 H LYS A 516 93.401 -8.901 19.610 1.00 0.00 H new ATOM 0 HA LYS A 516 91.032 -8.039 21.167 1.00 0.00 H new ATOM 0 HB2 LYS A 516 93.171 -6.489 20.791 1.00 0.00 H new ATOM 0 HB3 LYS A 516 92.460 -6.261 19.206 1.00 0.00 H new ATOM 0 HG2 LYS A 516 91.508 -4.500 20.365 1.00 0.00 H new ATOM 0 HG3 LYS A 516 90.262 -5.719 20.547 1.00 0.00 H new ATOM 0 HD2 LYS A 516 92.470 -5.284 22.595 1.00 0.00 H new ATOM 0 HD3 LYS A 516 90.918 -4.473 22.676 1.00 0.00 H new ATOM 0 HE2 LYS A 516 89.989 -6.975 22.414 1.00 0.00 H new ATOM 0 HE3 LYS A 516 91.564 -7.384 23.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 89.932 -7.126 24.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 91.129 -5.930 24.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 89.603 -5.533 24.329 1.00 0.00 H new ATOM 1255 N HIS A 517 91.486 -8.634 17.975 1.00 0.00 N ATOM 1256 CA HIS A 517 90.804 -8.930 16.722 1.00 0.00 C ATOM 1257 C HIS A 517 91.667 -9.825 15.837 1.00 0.00 C ATOM 1258 O HIS A 517 92.847 -9.547 15.622 1.00 0.00 O ATOM 1259 CB HIS A 517 90.462 -7.637 15.981 1.00 0.00 C ATOM 1260 CG HIS A 517 90.372 -6.442 16.878 1.00 0.00 C ATOM 1261 ND1 HIS A 517 89.199 -6.038 17.480 1.00 0.00 N ATOM 1262 CD2 HIS A 517 91.319 -5.562 17.278 1.00 0.00 C ATOM 1263 CE1 HIS A 517 89.428 -4.961 18.210 1.00 0.00 C ATOM 1264 NE2 HIS A 517 90.708 -4.652 18.105 1.00 0.00 N ATOM 0 H HIS A 517 92.495 -8.783 17.951 1.00 0.00 H new ATOM 0 HA HIS A 517 89.879 -9.458 16.955 1.00 0.00 H new ATOM 0 HB2 HIS A 517 91.219 -7.453 15.219 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.512 -7.765 15.462 1.00 0.00 H new ATOM 0 HD1 HIS A 517 88.295 -6.499 17.378 1.00 0.00 H new ATOM 0 HD2 HIS A 517 92.362 -5.573 16.999 1.00 0.00 H new ATOM 0 HE1 HIS A 517 88.694 -4.425 18.793 1.00 0.00 H new ATOM 1273 N CYS A 518 91.071 -10.898 15.331 1.00 0.00 N ATOM 1274 CA CYS A 518 91.785 -11.835 14.472 1.00 0.00 C ATOM 1275 C CYS A 518 92.343 -11.131 13.238 1.00 0.00 C ATOM 1276 O CYS A 518 91.791 -11.249 12.144 1.00 0.00 O ATOM 1277 CB CYS A 518 90.858 -12.976 14.047 1.00 0.00 C ATOM 1278 SG CYS A 518 90.534 -14.187 15.350 1.00 0.00 S ATOM 0 H CYS A 518 90.095 -11.141 15.501 1.00 0.00 H new ATOM 0 HA CYS A 518 92.620 -12.245 15.040 1.00 0.00 H new ATOM 0 HB2 CYS A 518 89.910 -12.554 13.713 1.00 0.00 H new ATOM 0 HB3 CYS A 518 91.298 -13.488 13.191 1.00 0.00 H new ATOM 0 HG CYS A 518 89.740 -15.111 14.896 1.00 0.00 H new ATOM 1284 N TRP A 519 93.439 -10.401 13.420 1.00 0.00 N ATOM 1285 CA TRP A 519 94.065 -9.683 12.317 1.00 0.00 C ATOM 1286 C TRP A 519 95.168 -10.510 11.681 1.00 0.00 C ATOM 1287 O TRP A 519 95.867 -11.268 12.353 1.00 0.00 O ATOM 1288 CB TRP A 519 94.618 -8.341 12.785 1.00 0.00 C ATOM 1289 CG TRP A 519 94.231 -7.229 11.869 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.740 -7.362 10.608 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.291 -5.826 12.135 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.493 -6.134 10.065 1.00 0.00 N ATOM 1293 CE2 TRP A 519 93.821 -5.166 10.983 1.00 0.00 C ATOM 1294 CE3 TRP A 519 94.695 -5.062 13.233 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 93.744 -3.777 10.901 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 94.618 -3.686 13.150 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.146 -3.056 11.992 1.00 0.00 C ATOM 0 H TRP A 519 93.910 -10.292 14.318 1.00 0.00 H new ATOM 0 HA TRP A 519 93.297 -9.500 11.566 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.252 -8.128 13.789 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.705 -8.398 12.847 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.570 -8.304 10.108 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.125 -5.963 9.129 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.061 -5.539 14.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.380 -3.288 10.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 94.927 -3.085 13.993 1.00 0.00 H new ATOM 0 HH2 TRP A 519 94.098 -1.978 11.959 1.00 0.00 H new ATOM 1308 N LYS A 520 95.299 -10.365 10.372 1.00 0.00 N ATOM 1309 CA LYS A 520 96.294 -11.098 9.612 1.00 0.00 C ATOM 1310 C LYS A 520 97.412 -10.185 9.127 1.00 0.00 C ATOM 1311 O LYS A 520 97.159 -9.092 8.617 1.00 0.00 O ATOM 1312 CB LYS A 520 95.620 -11.755 8.418 1.00 0.00 C ATOM 1313 CG LYS A 520 94.225 -12.272 8.725 1.00 0.00 C ATOM 1314 CD LYS A 520 94.242 -13.258 9.883 1.00 0.00 C ATOM 1315 CE LYS A 520 92.847 -13.485 10.442 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.502 -14.932 10.502 1.00 0.00 N ATOM 0 H LYS A 520 94.721 -9.739 9.811 1.00 0.00 H new ATOM 0 HA LYS A 520 96.737 -11.852 10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.562 -11.036 7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.238 -12.583 8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.570 -11.435 8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.811 -12.755 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.660 -14.207 9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 520 94.895 -12.883 10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 520 92.782 -13.054 11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 520 92.118 -12.963 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.543 -15.045 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 92.539 -15.338 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 93.182 -15.426 11.114 1.00 0.00 H new ATOM 1330 N LEU A 521 98.646 -10.649 9.276 1.00 0.00 N ATOM 1331 CA LEU A 521 99.808 -9.886 8.844 1.00 0.00 C ATOM 1332 C LEU A 521 100.761 -10.769 8.049 1.00 0.00 C ATOM 1333 O LEU A 521 101.409 -11.655 8.605 1.00 0.00 O ATOM 1334 CB LEU A 521 100.529 -9.292 10.055 1.00 0.00 C ATOM 1335 CG LEU A 521 101.170 -7.922 9.825 1.00 0.00 C ATOM 1336 CD1 LEU A 521 100.131 -6.918 9.350 1.00 0.00 C ATOM 1337 CD2 LEU A 521 101.847 -7.434 11.097 1.00 0.00 C ATOM 0 H LEU A 521 98.867 -11.553 9.694 1.00 0.00 H new ATOM 0 HA LEU A 521 99.469 -9.074 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 521 99.817 -9.209 10.876 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.304 -9.989 10.374 1.00 0.00 H new ATOM 0 HG LEU A 521 101.928 -8.021 9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 521 100.606 -5.950 9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 521 99.692 -7.264 8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 521 99.349 -6.820 10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 521 102.298 -6.458 10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 521 101.108 -7.351 11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 521 102.621 -8.143 11.392 1.00 0.00 H new ATOM 1349 N GLU A 522 100.837 -10.527 6.746 1.00 0.00 N ATOM 1350 CA GLU A 522 101.708 -11.310 5.877 1.00 0.00 C ATOM 1351 C GLU A 522 102.676 -10.413 5.114 1.00 0.00 C ATOM 1352 O GLU A 522 102.262 -9.499 4.400 1.00 0.00 O ATOM 1353 CB GLU A 522 100.871 -12.130 4.894 1.00 0.00 C ATOM 1354 CG GLU A 522 101.596 -13.352 4.354 1.00 0.00 C ATOM 1355 CD GLU A 522 100.809 -14.633 4.553 1.00 0.00 C ATOM 1356 OE1 GLU A 522 100.285 -14.840 5.668 1.00 0.00 O ATOM 1357 OE2 GLU A 522 100.716 -15.428 3.595 1.00 0.00 O ATOM 0 H GLU A 522 100.308 -9.797 6.269 1.00 0.00 H new ATOM 0 HA GLU A 522 102.291 -11.985 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 522 99.954 -12.450 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.577 -11.493 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 522 101.793 -13.213 3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 522 102.563 -13.444 4.848 1.00 0.00 H new ATOM 1364 N ILE A 523 103.969 -10.683 5.268 1.00 0.00 N ATOM 1365 CA ILE A 523 105.000 -9.906 4.592 1.00 0.00 C ATOM 1366 C ILE A 523 105.144 -10.338 3.138 1.00 0.00 C ATOM 1367 O ILE A 523 105.539 -11.469 2.854 1.00 0.00 O ATOM 1368 CB ILE A 523 106.364 -10.048 5.293 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.268 -9.593 6.750 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.426 -9.250 4.553 1.00 0.00 C ATOM 1371 CD1 ILE A 523 105.597 -8.249 6.922 1.00 0.00 C ATOM 0 H ILE A 523 104.327 -11.436 5.856 1.00 0.00 H new ATOM 0 HA ILE A 523 104.687 -8.863 4.632 1.00 0.00 H new ATOM 0 HB ILE A 523 106.651 -11.099 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 523 105.716 -10.341 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 523 107.271 -9.546 7.174 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.384 -9.361 5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.512 -9.619 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.144 -8.197 4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 523 105.565 -7.991 7.981 1.00 0.00 H new ATOM 0 HD12 ILE A 523 106.161 -7.489 6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 523 104.581 -8.296 6.529 1.00 0.00 H new ATOM 1383 N LEU A 524 104.822 -9.433 2.218 1.00 0.00 N ATOM 1384 CA LEU A 524 104.916 -9.726 0.793 1.00 0.00 C ATOM 1385 C LEU A 524 106.360 -10.006 0.390 1.00 0.00 C ATOM 1386 O LEU A 524 107.280 -9.298 0.800 1.00 0.00 O ATOM 1387 CB LEU A 524 104.360 -8.561 -0.027 1.00 0.00 C ATOM 1388 CG LEU A 524 102.851 -8.344 0.092 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.306 -7.716 -1.180 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.141 -9.658 0.388 1.00 0.00 C ATOM 0 H LEU A 524 104.494 -8.492 2.435 1.00 0.00 H new ATOM 0 HA LEU A 524 104.322 -10.617 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.868 -7.647 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 524 104.606 -8.726 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 524 102.665 -7.662 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.231 -7.567 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 524 102.791 -6.754 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 524 102.505 -8.375 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.068 -9.482 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.333 -10.365 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.513 -10.069 1.326 1.00 0.00 H new ATOM 1402 N SER A 525 106.554 -11.057 -0.401 1.00 0.00 N ATOM 1403 CA SER A 525 107.886 -11.450 -0.847 1.00 0.00 C ATOM 1404 C SER A 525 107.856 -12.003 -2.269 1.00 0.00 C ATOM 1405 O SER A 525 106.801 -12.385 -2.777 1.00 0.00 O ATOM 1406 CB SER A 525 108.474 -12.492 0.106 1.00 0.00 C ATOM 1407 OG SER A 525 109.888 -12.408 0.145 1.00 0.00 O ATOM 0 H SER A 525 105.803 -11.654 -0.747 1.00 0.00 H new ATOM 0 HA SER A 525 108.516 -10.561 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 525 108.070 -12.342 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.175 -13.491 -0.213 1.00 0.00 H new ATOM 0 HG SER A 525 110.239 -13.083 0.763 1.00 0.00 H new ATOM 1413 N GLY A 526 109.024 -12.045 -2.902 1.00 0.00 N ATOM 1414 CA GLY A 526 109.125 -12.563 -4.255 1.00 0.00 C ATOM 1415 C GLY A 526 108.180 -11.882 -5.225 1.00 0.00 C ATOM 1416 O GLY A 526 108.049 -10.658 -5.222 1.00 0.00 O ATOM 0 H GLY A 526 109.906 -11.728 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.149 -12.441 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 526 108.916 -13.633 -4.245 1.00 0.00 H new ATOM 1420 N ASP A 527 107.528 -12.680 -6.065 1.00 0.00 N ATOM 1421 CA ASP A 527 106.596 -12.153 -7.054 1.00 0.00 C ATOM 1422 C ASP A 527 105.428 -11.441 -6.383 1.00 0.00 C ATOM 1423 O ASP A 527 104.860 -10.505 -6.943 1.00 0.00 O ATOM 1424 CB ASP A 527 106.070 -13.280 -7.946 1.00 0.00 C ATOM 1425 CG ASP A 527 106.406 -13.068 -9.409 1.00 0.00 C ATOM 1426 OD1 ASP A 527 107.596 -12.852 -9.720 1.00 0.00 O ATOM 1427 OD2 ASP A 527 105.478 -13.119 -10.245 1.00 0.00 O ATOM 0 H ASP A 527 107.629 -13.695 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 527 107.135 -11.431 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.491 -14.229 -7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 527 104.989 -13.354 -7.832 1.00 0.00 H new ATOM 1432 N HIS A 528 105.065 -11.892 -5.187 1.00 0.00 N ATOM 1433 CA HIS A 528 103.957 -11.284 -4.463 1.00 0.00 C ATOM 1434 C HIS A 528 104.267 -9.836 -4.102 1.00 0.00 C ATOM 1435 O HIS A 528 103.441 -8.945 -4.312 1.00 0.00 O ATOM 1436 CB HIS A 528 103.647 -12.081 -3.196 1.00 0.00 C ATOM 1437 CG HIS A 528 102.185 -12.146 -2.879 1.00 0.00 C ATOM 1438 ND1 HIS A 528 101.696 -12.414 -1.617 1.00 0.00 N ATOM 1439 CD2 HIS A 528 101.101 -11.973 -3.672 1.00 0.00 C ATOM 1440 CE1 HIS A 528 100.375 -12.405 -1.650 1.00 0.00 C ATOM 1441 NE2 HIS A 528 99.990 -12.139 -2.884 1.00 0.00 N ATOM 0 H HIS A 528 105.517 -12.668 -4.703 1.00 0.00 H new ATOM 0 HA HIS A 528 103.084 -11.297 -5.115 1.00 0.00 H new ATOM 0 HB2 HIS A 528 104.032 -13.094 -3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.174 -11.632 -2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 528 101.109 -11.747 -4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 528 99.721 -12.585 -0.809 1.00 0.00 H new ATOM 0 HE2 HIS A 528 99.023 -12.068 -3.201 1.00 0.00 H new ATOM 1450 N GLU A 529 105.463 -9.600 -3.568 1.00 0.00 N ATOM 1451 CA GLU A 529 105.868 -8.249 -3.194 1.00 0.00 C ATOM 1452 C GLU A 529 106.052 -7.380 -4.434 1.00 0.00 C ATOM 1453 O GLU A 529 105.585 -6.242 -4.485 1.00 0.00 O ATOM 1454 CB GLU A 529 107.163 -8.293 -2.379 1.00 0.00 C ATOM 1455 CG GLU A 529 107.955 -6.996 -2.412 1.00 0.00 C ATOM 1456 CD GLU A 529 107.296 -5.889 -1.612 1.00 0.00 C ATOM 1457 OE1 GLU A 529 106.231 -5.400 -2.042 1.00 0.00 O ATOM 1458 OE2 GLU A 529 107.845 -5.512 -0.556 1.00 0.00 O ATOM 0 H GLU A 529 106.162 -10.320 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 529 105.081 -7.809 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 529 106.921 -8.534 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.791 -9.100 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 529 108.956 -7.176 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 529 108.071 -6.672 -3.446 1.00 0.00 H new ATOM 1465 N GLN A 530 106.732 -7.930 -5.433 1.00 0.00 N ATOM 1466 CA GLN A 530 106.978 -7.213 -6.678 1.00 0.00 C ATOM 1467 C GLN A 530 105.667 -6.905 -7.392 1.00 0.00 C ATOM 1468 O GLN A 530 105.489 -5.825 -7.954 1.00 0.00 O ATOM 1469 CB GLN A 530 107.892 -8.031 -7.592 1.00 0.00 C ATOM 1470 CG GLN A 530 108.163 -7.370 -8.934 1.00 0.00 C ATOM 1471 CD GLN A 530 107.735 -8.235 -10.103 1.00 0.00 C ATOM 1472 OE1 GLN A 530 108.533 -8.541 -10.990 1.00 0.00 O ATOM 1473 NE2 GLN A 530 106.470 -8.635 -10.110 1.00 0.00 N ATOM 0 H GLN A 530 107.123 -8.872 -5.405 1.00 0.00 H new ATOM 0 HA GLN A 530 107.471 -6.271 -6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 530 108.841 -8.203 -7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 530 107.440 -9.008 -7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 530 107.636 -6.417 -8.979 1.00 0.00 H new ATOM 0 HG3 GLN A 530 109.227 -7.150 -9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 530 105.843 -8.358 -9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.124 -9.220 -10.871 1.00 0.00 H new ATOM 1482 N ARG A 531 104.753 -7.868 -7.367 1.00 0.00 N ATOM 1483 CA ARG A 531 103.456 -7.710 -8.010 1.00 0.00 C ATOM 1484 C ARG A 531 102.712 -6.508 -7.442 1.00 0.00 C ATOM 1485 O ARG A 531 102.242 -5.650 -8.188 1.00 0.00 O ATOM 1486 CB ARG A 531 102.616 -8.976 -7.836 1.00 0.00 C ATOM 1487 CG ARG A 531 101.244 -8.892 -8.485 1.00 0.00 C ATOM 1488 CD ARG A 531 100.133 -8.938 -7.451 1.00 0.00 C ATOM 1489 NE ARG A 531 99.050 -9.832 -7.849 1.00 0.00 N ATOM 1490 CZ ARG A 531 99.207 -11.139 -8.038 1.00 0.00 C ATOM 1491 NH1 ARG A 531 100.397 -11.697 -7.866 1.00 0.00 N ATOM 1492 NH2 ARG A 531 98.173 -11.887 -8.399 1.00 0.00 N ATOM 0 H ARG A 531 104.888 -8.768 -6.907 1.00 0.00 H new ATOM 0 HA ARG A 531 103.624 -7.541 -9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 531 103.157 -9.822 -8.260 1.00 0.00 H new ATOM 0 HB3 ARG A 531 102.493 -9.177 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 531 101.169 -7.969 -9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.122 -9.716 -9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 531 100.541 -9.267 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 531 99.737 -7.934 -7.300 1.00 0.00 H new ATOM 0 HE ARG A 531 98.122 -9.432 -7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 531 101.194 -11.124 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 531 100.516 -12.700 -8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.256 -11.460 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 531 98.294 -12.889 -8.544 1.00 0.00 H new ATOM 1506 N TYR A 532 102.606 -6.450 -6.117 1.00 0.00 N ATOM 1507 CA TYR A 532 101.915 -5.346 -5.464 1.00 0.00 C ATOM 1508 C TYR A 532 102.542 -4.012 -5.858 1.00 0.00 C ATOM 1509 O TYR A 532 101.837 -3.047 -6.158 1.00 0.00 O ATOM 1510 CB TYR A 532 101.957 -5.513 -3.945 1.00 0.00 C ATOM 1511 CG TYR A 532 101.255 -4.401 -3.203 1.00 0.00 C ATOM 1512 CD1 TYR A 532 101.894 -3.194 -2.963 1.00 0.00 C ATOM 1513 CD2 TYR A 532 99.951 -4.556 -2.749 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.256 -2.171 -2.291 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.306 -3.537 -2.074 1.00 0.00 C ATOM 1516 CZ TYR A 532 99.962 -2.346 -1.848 1.00 0.00 C ATOM 1517 OH TYR A 532 99.324 -1.327 -1.180 1.00 0.00 O ATOM 0 H TYR A 532 102.987 -7.150 -5.480 1.00 0.00 H new ATOM 0 HA TYR A 532 100.875 -5.354 -5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.498 -6.465 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 532 102.996 -5.558 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 532 102.908 -3.052 -3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.433 -5.487 -2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 532 101.768 -1.237 -2.113 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.293 -3.673 -1.725 1.00 0.00 H new ATOM 0 HH TYR A 532 99.217 -0.559 -1.780 1.00 0.00 H new ATOM 1527 N TRP A 533 103.870 -3.966 -5.868 1.00 0.00 N ATOM 1528 CA TRP A 533 104.582 -2.751 -6.239 1.00 0.00 C ATOM 1529 C TRP A 533 104.255 -2.358 -7.672 1.00 0.00 C ATOM 1530 O TRP A 533 104.029 -1.184 -7.968 1.00 0.00 O ATOM 1531 CB TRP A 533 106.087 -2.943 -6.077 1.00 0.00 C ATOM 1532 CG TRP A 533 106.558 -2.667 -4.687 1.00 0.00 C ATOM 1533 CD1 TRP A 533 106.996 -3.578 -3.773 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.623 -1.389 -4.046 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.333 -2.947 -2.604 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.113 -1.600 -2.745 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.315 -0.086 -4.448 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.301 -0.556 -1.841 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.503 0.948 -3.551 1.00 0.00 C ATOM 1540 CH2 TRP A 533 106.992 0.709 -2.262 1.00 0.00 C ATOM 0 H TRP A 533 104.472 -4.753 -5.624 1.00 0.00 H new ATOM 0 HA TRP A 533 104.259 -1.949 -5.575 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.350 -3.965 -6.349 1.00 0.00 H new ATOM 0 HB3 TRP A 533 106.610 -2.284 -6.771 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.067 -4.642 -3.945 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.690 -3.405 -1.765 1.00 0.00 H new ATOM 0 HE3 TRP A 533 105.937 0.109 -5.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.677 -0.739 -0.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.268 1.959 -3.850 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.128 1.540 -1.585 1.00 0.00 H new ATOM 1551 N GLN A 534 104.212 -3.350 -8.556 1.00 0.00 N ATOM 1552 CA GLN A 534 103.890 -3.102 -9.953 1.00 0.00 C ATOM 1553 C GLN A 534 102.590 -2.319 -10.037 1.00 0.00 C ATOM 1554 O GLN A 534 102.472 -1.362 -10.801 1.00 0.00 O ATOM 1555 CB GLN A 534 103.770 -4.419 -10.719 1.00 0.00 C ATOM 1556 CG GLN A 534 105.111 -5.028 -11.090 1.00 0.00 C ATOM 1557 CD GLN A 534 106.070 -4.011 -11.678 1.00 0.00 C ATOM 1558 OE1 GLN A 534 106.117 -3.813 -12.892 1.00 0.00 O ATOM 1559 NE2 GLN A 534 106.843 -3.358 -10.817 1.00 0.00 N ATOM 0 H GLN A 534 104.395 -4.327 -8.329 1.00 0.00 H new ATOM 0 HA GLN A 534 104.692 -2.520 -10.407 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.211 -5.133 -10.114 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.193 -4.250 -11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 534 105.560 -5.476 -10.204 1.00 0.00 H new ATOM 0 HG3 GLN A 534 104.954 -5.832 -11.809 1.00 0.00 H new ATOM 0 HE21 GLN A 534 106.772 -3.553 -9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 534 107.508 -2.662 -11.155 1.00 0.00 H new ATOM 1568 N LYS A 535 101.622 -2.727 -9.223 1.00 0.00 N ATOM 1569 CA LYS A 535 100.332 -2.059 -9.175 1.00 0.00 C ATOM 1570 C LYS A 535 100.520 -0.618 -8.708 1.00 0.00 C ATOM 1571 O LYS A 535 99.864 0.299 -9.201 1.00 0.00 O ATOM 1572 CB LYS A 535 99.379 -2.820 -8.241 1.00 0.00 C ATOM 1573 CG LYS A 535 98.487 -1.930 -7.388 1.00 0.00 C ATOM 1574 CD LYS A 535 99.242 -1.375 -6.191 1.00 0.00 C ATOM 1575 CE LYS A 535 98.712 -1.944 -4.886 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.229 -2.072 -4.900 1.00 0.00 N ATOM 0 H LYS A 535 101.710 -3.520 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 535 99.891 -2.047 -10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 535 98.749 -3.476 -8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 535 99.968 -3.459 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 535 98.105 -1.108 -7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 535 97.624 -2.500 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 535 100.302 -1.610 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.156 -0.288 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 535 99.159 -2.922 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.013 -1.300 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 96.863 -1.978 -3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 96.822 -1.325 -5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 96.964 -3.003 -5.281 1.00 0.00 H new ATOM 1590 N ILE A 536 101.434 -0.431 -7.758 1.00 0.00 N ATOM 1591 CA ILE A 536 101.727 0.896 -7.229 1.00 0.00 C ATOM 1592 C ILE A 536 102.322 1.788 -8.311 1.00 0.00 C ATOM 1593 O ILE A 536 101.694 2.751 -8.751 1.00 0.00 O ATOM 1594 CB ILE A 536 102.713 0.832 -6.045 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.197 -0.120 -4.965 1.00 0.00 C ATOM 1596 CG2 ILE A 536 102.937 2.221 -5.467 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.078 -0.169 -3.734 1.00 0.00 C ATOM 0 H ILE A 536 101.983 -1.182 -7.340 1.00 0.00 H new ATOM 0 HA ILE A 536 100.782 1.313 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 536 103.666 0.450 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.193 0.186 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.115 -1.123 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 536 103.635 2.159 -4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.349 2.873 -6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 536 101.988 2.627 -5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 536 102.653 -0.863 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.077 -0.504 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.140 0.825 -3.291 1.00 0.00 H new ATOM 1609 N LEU A 537 103.537 1.456 -8.739 1.00 0.00 N ATOM 1610 CA LEU A 537 104.217 2.223 -9.775 1.00 0.00 C ATOM 1611 C LEU A 537 103.257 2.564 -10.910 1.00 0.00 C ATOM 1612 O LEU A 537 103.065 3.734 -11.244 1.00 0.00 O ATOM 1613 CB LEU A 537 105.416 1.439 -10.318 1.00 0.00 C ATOM 1614 CG LEU A 537 106.726 1.640 -9.551 1.00 0.00 C ATOM 1615 CD1 LEU A 537 107.293 0.301 -9.104 1.00 0.00 C ATOM 1616 CD2 LEU A 537 107.738 2.386 -10.408 1.00 0.00 C ATOM 0 H LEU A 537 104.069 0.662 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 537 104.575 3.153 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.169 0.377 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 537 105.575 1.723 -11.358 1.00 0.00 H new ATOM 0 HG LEU A 537 106.516 2.239 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 537 108.224 0.463 -8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 537 106.575 -0.199 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 537 107.487 -0.322 -9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 537 108.662 2.519 -9.846 1.00 0.00 H new ATOM 0 HD22 LEU A 537 107.942 1.812 -11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.335 3.361 -10.681 1.00 0.00 H new ATOM 1628 N VAL A 538 102.652 1.535 -11.495 1.00 0.00 N ATOM 1629 CA VAL A 538 101.708 1.730 -12.589 1.00 0.00 C ATOM 1630 C VAL A 538 100.567 2.643 -12.159 1.00 0.00 C ATOM 1631 O VAL A 538 100.108 3.489 -12.929 1.00 0.00 O ATOM 1632 CB VAL A 538 101.124 0.389 -13.072 1.00 0.00 C ATOM 1633 CG1 VAL A 538 100.069 0.617 -14.142 1.00 0.00 C ATOM 1634 CG2 VAL A 538 102.232 -0.519 -13.588 1.00 0.00 C ATOM 0 H VAL A 538 102.798 0.561 -11.231 1.00 0.00 H new ATOM 0 HA VAL A 538 102.257 2.192 -13.410 1.00 0.00 H new ATOM 0 HB VAL A 538 100.645 -0.103 -12.226 1.00 0.00 H new ATOM 0 HG11 VAL A 538 99.669 -0.343 -14.469 1.00 0.00 H new ATOM 0 HG12 VAL A 538 99.262 1.226 -13.734 1.00 0.00 H new ATOM 0 HG13 VAL A 538 100.518 1.132 -14.991 1.00 0.00 H new ATOM 0 HG21 VAL A 538 101.802 -1.462 -13.925 1.00 0.00 H new ATOM 0 HG22 VAL A 538 102.742 -0.034 -14.421 1.00 0.00 H new ATOM 0 HG23 VAL A 538 102.947 -0.712 -12.788 1.00 0.00 H new ATOM 1644 N ASP A 539 100.119 2.472 -10.920 1.00 0.00 N ATOM 1645 CA ASP A 539 99.038 3.287 -10.381 1.00 0.00 C ATOM 1646 C ASP A 539 99.465 4.747 -10.291 1.00 0.00 C ATOM 1647 O ASP A 539 98.674 5.655 -10.543 1.00 0.00 O ATOM 1648 CB ASP A 539 98.623 2.775 -9.001 1.00 0.00 C ATOM 1649 CG ASP A 539 97.549 3.635 -8.364 1.00 0.00 C ATOM 1650 OD1 ASP A 539 96.791 4.289 -9.110 1.00 0.00 O ATOM 1651 OD2 ASP A 539 97.465 3.652 -7.118 1.00 0.00 O ATOM 0 H ASP A 539 100.488 1.777 -10.271 1.00 0.00 H new ATOM 0 HA ASP A 539 98.184 3.214 -11.054 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.259 1.751 -9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.496 2.747 -8.349 1.00 0.00 H new ATOM 1656 N ARG A 540 100.728 4.965 -9.932 1.00 0.00 N ATOM 1657 CA ARG A 540 101.267 6.312 -9.811 1.00 0.00 C ATOM 1658 C ARG A 540 101.229 7.030 -11.154 1.00 0.00 C ATOM 1659 O ARG A 540 100.887 8.211 -11.228 1.00 0.00 O ATOM 1660 CB ARG A 540 102.704 6.262 -9.287 1.00 0.00 C ATOM 1661 CG ARG A 540 102.815 6.494 -7.789 1.00 0.00 C ATOM 1662 CD ARG A 540 102.308 7.873 -7.398 1.00 0.00 C ATOM 1663 NE ARG A 540 103.345 8.672 -6.750 1.00 0.00 N ATOM 1664 CZ ARG A 540 103.131 9.879 -6.235 1.00 0.00 C ATOM 1665 NH1 ARG A 540 101.921 10.420 -6.289 1.00 0.00 N ATOM 1666 NH2 ARG A 540 104.127 10.543 -5.665 1.00 0.00 N ATOM 0 H ARG A 540 101.396 4.224 -9.720 1.00 0.00 H new ATOM 0 HA ARG A 540 100.649 6.865 -9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 540 103.136 5.291 -9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 540 103.298 7.013 -9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 540 102.244 5.732 -7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 540 103.855 6.386 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 540 101.951 8.394 -8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 540 101.456 7.769 -6.725 1.00 0.00 H new ATOM 0 HE ARG A 540 104.286 8.282 -6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 540 101.153 9.910 -6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 540 101.758 11.346 -5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 540 105.058 10.128 -5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 540 103.963 11.469 -5.270 1.00 0.00 H new ATOM 1680 N GLN A 541 101.576 6.310 -12.215 1.00 0.00 N ATOM 1681 CA GLN A 541 101.571 6.880 -13.556 1.00 0.00 C ATOM 1682 C GLN A 541 100.158 7.290 -13.961 1.00 0.00 C ATOM 1683 O GLN A 541 99.948 8.361 -14.530 1.00 0.00 O ATOM 1684 CB GLN A 541 102.132 5.875 -14.566 1.00 0.00 C ATOM 1685 CG GLN A 541 103.651 5.803 -14.578 1.00 0.00 C ATOM 1686 CD GLN A 541 104.167 4.387 -14.747 1.00 0.00 C ATOM 1687 OE1 GLN A 541 104.579 3.991 -15.837 1.00 0.00 O ATOM 1688 NE2 GLN A 541 104.149 3.617 -13.665 1.00 0.00 N ATOM 0 H GLN A 541 101.864 5.332 -12.172 1.00 0.00 H new ATOM 0 HA GLN A 541 102.204 7.767 -13.551 1.00 0.00 H new ATOM 0 HB2 GLN A 541 101.732 4.886 -14.342 1.00 0.00 H new ATOM 0 HB3 GLN A 541 101.782 6.142 -15.563 1.00 0.00 H new ATOM 0 HG2 GLN A 541 104.034 6.424 -15.388 1.00 0.00 H new ATOM 0 HG3 GLN A 541 104.038 6.218 -13.647 1.00 0.00 H new ATOM 0 HE21 GLN A 541 103.799 3.987 -12.781 1.00 0.00 H new ATOM 0 HE22 GLN A 541 104.486 2.656 -13.718 1.00 0.00 H new ATOM 1697 N ALA A 542 99.193 6.426 -13.659 1.00 0.00 N ATOM 1698 CA ALA A 542 97.796 6.685 -13.986 1.00 0.00 C ATOM 1699 C ALA A 542 97.262 7.904 -13.239 1.00 0.00 C ATOM 1700 O ALA A 542 96.405 8.627 -13.745 1.00 0.00 O ATOM 1701 CB ALA A 542 96.934 5.469 -13.683 1.00 0.00 C ATOM 0 H ALA A 542 99.355 5.537 -13.186 1.00 0.00 H new ATOM 0 HA ALA A 542 97.747 6.894 -15.055 1.00 0.00 H new ATOM 0 HB1 ALA A 542 95.896 5.687 -13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 542 97.281 4.621 -14.274 1.00 0.00 H new ATOM 0 HB3 ALA A 542 97.007 5.227 -12.623 1.00 0.00 H new ATOM 1707 N LYS A 543 97.767 8.119 -12.029 1.00 0.00 N ATOM 1708 CA LYS A 543 97.333 9.244 -11.207 1.00 0.00 C ATOM 1709 C LYS A 543 97.664 10.577 -11.869 1.00 0.00 C ATOM 1710 O LYS A 543 96.947 11.563 -11.695 1.00 0.00 O ATOM 1711 CB LYS A 543 97.991 9.173 -9.827 1.00 0.00 C ATOM 1712 CG LYS A 543 97.425 8.077 -8.938 1.00 0.00 C ATOM 1713 CD LYS A 543 98.041 8.116 -7.550 1.00 0.00 C ATOM 1714 CE LYS A 543 98.061 6.737 -6.909 1.00 0.00 C ATOM 1715 NZ LYS A 543 98.677 6.764 -5.554 1.00 0.00 N ATOM 0 H LYS A 543 98.477 7.529 -11.595 1.00 0.00 H new ATOM 0 HA LYS A 543 96.251 9.179 -11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 543 99.062 9.011 -9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 543 97.870 10.134 -9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 543 96.344 8.191 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 543 97.612 7.104 -9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 543 99.058 8.504 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 543 97.476 8.803 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 543 97.043 6.355 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 543 98.616 6.048 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 98.672 5.805 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 99.657 7.104 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 98.133 7.401 -4.938 1.00 0.00 H new ATOM 1729 N LEU A 544 98.754 10.605 -12.626 1.00 0.00 N ATOM 1730 CA LEU A 544 99.180 11.822 -13.307 1.00 0.00 C ATOM 1731 C LEU A 544 97.998 12.533 -13.963 1.00 0.00 C ATOM 1732 O LEU A 544 98.010 13.753 -14.124 1.00 0.00 O ATOM 1733 CB LEU A 544 100.241 11.501 -14.359 1.00 0.00 C ATOM 1734 CG LEU A 544 100.834 12.721 -15.067 1.00 0.00 C ATOM 1735 CD1 LEU A 544 101.679 13.537 -14.104 1.00 0.00 C ATOM 1736 CD2 LEU A 544 101.658 12.290 -16.271 1.00 0.00 C ATOM 0 H LEU A 544 99.359 9.799 -12.784 1.00 0.00 H new ATOM 0 HA LEU A 544 99.608 12.488 -12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 544 101.049 10.947 -13.882 1.00 0.00 H new ATOM 0 HB3 LEU A 544 99.802 10.842 -15.108 1.00 0.00 H new ATOM 0 HG LEU A 544 100.015 13.348 -15.419 1.00 0.00 H new ATOM 0 HD11 LEU A 544 102.093 14.401 -14.625 1.00 0.00 H new ATOM 0 HD12 LEU A 544 101.059 13.876 -13.274 1.00 0.00 H new ATOM 0 HD13 LEU A 544 102.492 12.920 -13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 544 102.072 13.170 -16.762 1.00 0.00 H new ATOM 0 HD22 LEU A 544 102.471 11.642 -15.943 1.00 0.00 H new ATOM 0 HD23 LEU A 544 101.023 11.748 -16.972 1.00 0.00 H new ATOM 1748 N ASN A 545 96.981 11.766 -14.344 1.00 0.00 N ATOM 1749 CA ASN A 545 95.799 12.334 -14.984 1.00 0.00 C ATOM 1750 C ASN A 545 94.597 11.407 -14.844 1.00 0.00 C ATOM 1751 O ASN A 545 94.538 10.350 -15.473 1.00 0.00 O ATOM 1752 CB ASN A 545 96.076 12.606 -16.463 1.00 0.00 C ATOM 1753 CG ASN A 545 95.325 13.818 -16.978 1.00 0.00 C ATOM 1754 OD1 ASN A 545 94.473 13.706 -17.859 1.00 0.00 O ATOM 1755 ND2 ASN A 545 95.641 14.986 -16.430 1.00 0.00 N ATOM 0 H ASN A 545 96.951 10.754 -14.221 1.00 0.00 H new ATOM 0 HA ASN A 545 95.567 13.274 -14.483 1.00 0.00 H new ATOM 0 HB2 ASN A 545 97.146 12.756 -16.608 1.00 0.00 H new ATOM 0 HB3 ASN A 545 95.795 11.731 -17.049 1.00 0.00 H new ATOM 0 HD21 ASN A 545 95.171 15.837 -16.737 1.00 0.00 H new ATOM 0 HD22 ASN A 545 96.354 15.032 -15.702 1.00 0.00 H new ATOM 1762 N GLN A 546 93.638 11.812 -14.018 1.00 0.00 N ATOM 1763 CA GLN A 546 92.433 11.020 -13.797 1.00 0.00 C ATOM 1764 C GLN A 546 92.762 9.703 -13.104 1.00 0.00 C ATOM 1765 O GLN A 546 93.647 8.965 -13.537 1.00 0.00 O ATOM 1766 CB GLN A 546 91.732 10.744 -15.128 1.00 0.00 C ATOM 1767 CG GLN A 546 90.412 10.004 -14.975 1.00 0.00 C ATOM 1768 CD GLN A 546 89.476 10.240 -16.144 1.00 0.00 C ATOM 1769 OE1 GLN A 546 89.519 9.522 -17.143 1.00 0.00 O ATOM 1770 NE2 GLN A 546 88.623 11.251 -16.024 1.00 0.00 N ATOM 0 H GLN A 546 93.672 12.684 -13.490 1.00 0.00 H new ATOM 0 HA GLN A 546 91.768 11.592 -13.150 1.00 0.00 H new ATOM 0 HB2 GLN A 546 91.552 11.690 -15.638 1.00 0.00 H new ATOM 0 HB3 GLN A 546 92.396 10.159 -15.765 1.00 0.00 H new ATOM 0 HG2 GLN A 546 90.607 8.936 -14.879 1.00 0.00 H new ATOM 0 HG3 GLN A 546 89.925 10.323 -14.053 1.00 0.00 H new ATOM 0 HE21 GLN A 546 88.623 11.820 -15.178 1.00 0.00 H new ATOM 0 HE22 GLN A 546 87.968 11.458 -16.778 1.00 0.00 H new ATOM 1779 N PRO A 547 92.045 9.391 -12.014 1.00 0.00 N ATOM 1780 CA PRO A 547 92.257 8.155 -11.257 1.00 0.00 C ATOM 1781 C PRO A 547 91.870 6.917 -12.059 1.00 0.00 C ATOM 1782 O PRO A 547 91.755 6.969 -13.283 1.00 0.00 O ATOM 1783 CB PRO A 547 91.338 8.317 -10.041 1.00 0.00 C ATOM 1784 CG PRO A 547 90.293 9.284 -10.478 1.00 0.00 C ATOM 1785 CD PRO A 547 90.971 10.218 -11.441 1.00 0.00 C ATOM 0 HA PRO A 547 93.305 8.010 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 547 90.897 7.364 -9.749 1.00 0.00 H new ATOM 0 HB3 PRO A 547 91.887 8.692 -9.178 1.00 0.00 H new ATOM 0 HG2 PRO A 547 89.459 8.769 -10.955 1.00 0.00 H new ATOM 0 HG3 PRO A 547 89.885 9.829 -9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 547 90.284 10.573 -12.209 1.00 0.00 H new ATOM 0 HD3 PRO A 547 91.367 11.099 -10.936 1.00 0.00 H new ATOM 1793 N ARG A 548 91.669 5.803 -11.361 1.00 0.00 N ATOM 1794 CA ARG A 548 91.294 4.552 -12.011 1.00 0.00 C ATOM 1795 C ARG A 548 91.053 3.455 -10.980 1.00 0.00 C ATOM 1796 O ARG A 548 91.947 3.105 -10.210 1.00 0.00 O ATOM 1797 CB ARG A 548 92.384 4.116 -12.992 1.00 0.00 C ATOM 1798 CG ARG A 548 92.008 4.320 -14.450 1.00 0.00 C ATOM 1799 CD ARG A 548 92.253 3.065 -15.271 1.00 0.00 C ATOM 1800 NE ARG A 548 93.490 3.147 -16.041 1.00 0.00 N ATOM 1801 CZ ARG A 548 93.994 2.131 -16.737 1.00 0.00 C ATOM 1802 NH1 ARG A 548 93.372 0.961 -16.751 1.00 0.00 N ATOM 1803 NH2 ARG A 548 95.121 2.286 -17.417 1.00 0.00 N ATOM 0 H ARG A 548 91.759 5.741 -10.347 1.00 0.00 H new ATOM 0 HA ARG A 548 90.367 4.720 -12.560 1.00 0.00 H new ATOM 0 HB2 ARG A 548 93.296 4.673 -12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 548 92.609 3.062 -12.828 1.00 0.00 H new ATOM 0 HG2 ARG A 548 90.957 4.602 -14.520 1.00 0.00 H new ATOM 0 HG3 ARG A 548 92.587 5.145 -14.864 1.00 0.00 H new ATOM 0 HD2 ARG A 548 92.296 2.201 -14.608 1.00 0.00 H new ATOM 0 HD3 ARG A 548 91.414 2.906 -15.949 1.00 0.00 H new ATOM 0 HE ARG A 548 93.996 4.032 -16.046 1.00 0.00 H new ATOM 0 HH11 ARG A 548 92.505 0.838 -16.228 1.00 0.00 H new ATOM 0 HH12 ARG A 548 93.760 0.184 -17.285 1.00 0.00 H new ATOM 0 HH21 ARG A 548 95.603 3.185 -17.407 1.00 0.00 H new ATOM 0 HH22 ARG A 548 95.506 1.506 -17.950 1.00 0.00 H new ATOM 1817 N GLU A 549 89.837 2.918 -10.970 1.00 0.00 N ATOM 1818 CA GLU A 549 89.478 1.861 -10.032 1.00 0.00 C ATOM 1819 C GLU A 549 88.188 1.170 -10.461 1.00 0.00 C ATOM 1820 O GLU A 549 87.127 1.393 -9.875 1.00 0.00 O ATOM 1821 CB GLU A 549 89.322 2.434 -8.623 1.00 0.00 C ATOM 1822 CG GLU A 549 89.132 1.372 -7.552 1.00 0.00 C ATOM 1823 CD GLU A 549 89.829 1.726 -6.252 1.00 0.00 C ATOM 1824 OE1 GLU A 549 90.071 0.810 -5.441 1.00 0.00 O ATOM 1825 OE2 GLU A 549 90.132 2.920 -6.048 1.00 0.00 O ATOM 0 H GLU A 549 89.085 3.197 -11.600 1.00 0.00 H new ATOM 0 HA GLU A 549 90.280 1.122 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 549 90.204 3.028 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 549 88.468 3.111 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 549 88.067 1.237 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 549 89.515 0.419 -7.918 1.00 0.00 H new ATOM 1832 N LYS A 550 88.284 0.331 -11.488 1.00 0.00 N ATOM 1833 CA LYS A 550 87.125 -0.392 -11.995 1.00 0.00 C ATOM 1834 C LYS A 550 87.526 -1.341 -13.120 1.00 0.00 C ATOM 1835 O LYS A 550 87.901 -0.904 -14.209 1.00 0.00 O ATOM 1836 CB LYS A 550 86.064 0.591 -12.495 1.00 0.00 C ATOM 1837 CG LYS A 550 84.660 0.010 -12.525 1.00 0.00 C ATOM 1838 CD LYS A 550 84.106 -0.183 -11.124 1.00 0.00 C ATOM 1839 CE LYS A 550 82.741 0.467 -10.972 1.00 0.00 C ATOM 1840 NZ LYS A 550 82.762 1.583 -9.985 1.00 0.00 N ATOM 0 H LYS A 550 89.153 0.136 -11.985 1.00 0.00 H new ATOM 0 HA LYS A 550 86.709 -0.981 -11.178 1.00 0.00 H new ATOM 0 HB2 LYS A 550 86.069 1.474 -11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 550 86.332 0.922 -13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 550 84.003 0.672 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 550 84.672 -0.947 -13.047 1.00 0.00 H new ATOM 0 HD2 LYS A 550 84.030 -1.248 -10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 550 84.797 0.243 -10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 550 82.409 0.844 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 550 82.015 -0.283 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 81.812 1.999 -9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 83.054 1.219 -9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 83.435 2.311 -10.298 1.00 0.00 H new ATOM 1854 N LYS A 551 87.441 -2.641 -12.853 1.00 0.00 N ATOM 1855 CA LYS A 551 87.795 -3.647 -13.848 1.00 0.00 C ATOM 1856 C LYS A 551 88.017 -5.011 -13.202 1.00 0.00 C ATOM 1857 O LYS A 551 87.891 -6.046 -13.857 1.00 0.00 O ATOM 1858 CB LYS A 551 89.049 -3.220 -14.613 1.00 0.00 C ATOM 1859 CG LYS A 551 88.795 -2.924 -16.081 1.00 0.00 C ATOM 1860 CD LYS A 551 89.516 -3.912 -16.985 1.00 0.00 C ATOM 1861 CE LYS A 551 90.958 -3.497 -17.224 1.00 0.00 C ATOM 1862 NZ LYS A 551 91.101 -2.017 -17.315 1.00 0.00 N ATOM 0 H LYS A 551 87.131 -3.021 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 551 86.962 -3.733 -14.546 1.00 0.00 H new ATOM 0 HB2 LYS A 551 89.469 -2.332 -14.139 1.00 0.00 H new ATOM 0 HB3 LYS A 551 89.798 -4.008 -14.534 1.00 0.00 H new ATOM 0 HG2 LYS A 551 87.724 -2.962 -16.280 1.00 0.00 H new ATOM 0 HG3 LYS A 551 89.126 -1.911 -16.311 1.00 0.00 H new ATOM 0 HD2 LYS A 551 89.492 -4.904 -16.534 1.00 0.00 H new ATOM 0 HD3 LYS A 551 88.993 -3.982 -17.939 1.00 0.00 H new ATOM 0 HE2 LYS A 551 91.583 -3.873 -16.414 1.00 0.00 H new ATOM 0 HE3 LYS A 551 91.320 -3.954 -18.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 91.998 -1.783 -17.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 90.310 -1.625 -17.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 91.095 -1.608 -16.359 1.00 0.00 H new ATOM 1876 N ARG A 552 88.346 -5.007 -11.916 1.00 0.00 N ATOM 1877 CA ARG A 552 88.583 -6.245 -11.185 1.00 0.00 C ATOM 1878 C ARG A 552 87.269 -6.946 -10.860 1.00 0.00 C ATOM 1879 O ARG A 552 86.945 -7.984 -11.438 1.00 0.00 O ATOM 1880 CB ARG A 552 89.358 -5.964 -9.897 1.00 0.00 C ATOM 1881 CG ARG A 552 90.627 -6.788 -9.758 1.00 0.00 C ATOM 1882 CD ARG A 552 91.484 -6.302 -8.602 1.00 0.00 C ATOM 1883 NE ARG A 552 92.185 -7.400 -7.941 1.00 0.00 N ATOM 1884 CZ ARG A 552 92.884 -7.257 -6.820 1.00 0.00 C ATOM 1885 NH1 ARG A 552 92.977 -6.067 -6.242 1.00 0.00 N ATOM 1886 NH2 ARG A 552 93.491 -8.303 -6.277 1.00 0.00 N ATOM 0 H ARG A 552 88.455 -4.160 -11.358 1.00 0.00 H new ATOM 0 HA ARG A 552 89.177 -6.903 -11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 552 89.616 -4.906 -9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 552 88.711 -6.162 -9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 552 90.367 -7.835 -9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 552 91.200 -6.735 -10.684 1.00 0.00 H new ATOM 0 HD2 ARG A 552 92.210 -5.577 -8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 552 90.855 -5.785 -7.877 1.00 0.00 H new ATOM 0 HE ARG A 552 92.135 -8.327 -8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 552 92.512 -5.260 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 552 93.514 -5.959 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 552 93.422 -9.219 -6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 552 94.027 -8.191 -5.416 1.00 0.00 H new ATOM 1900 N GLY A 553 86.517 -6.371 -9.931 1.00 0.00 N ATOM 1901 CA GLY A 553 85.244 -6.948 -9.539 1.00 0.00 C ATOM 1902 C GLY A 553 85.386 -7.971 -8.428 1.00 0.00 C ATOM 1903 O GLY A 553 85.724 -7.625 -7.297 1.00 0.00 O ATOM 0 H GLY A 553 86.766 -5.512 -9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 553 84.574 -6.153 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 553 84.781 -7.420 -10.406 1.00 0.00 H new ATOM 1907 N THR A 554 85.128 -9.236 -8.752 1.00 0.00 N ATOM 1908 CA THR A 554 85.228 -10.313 -7.771 1.00 0.00 C ATOM 1909 C THR A 554 84.527 -9.937 -6.470 1.00 0.00 C ATOM 1910 O THR A 554 83.963 -8.850 -6.349 1.00 0.00 O ATOM 1911 CB THR A 554 86.699 -10.665 -7.468 1.00 0.00 C ATOM 1912 OG1 THR A 554 87.131 -10.090 -6.229 1.00 0.00 O ATOM 1913 CG2 THR A 554 87.617 -10.168 -8.575 1.00 0.00 C ATOM 0 H THR A 554 84.849 -9.540 -9.685 1.00 0.00 H new ATOM 0 HA THR A 554 84.738 -11.184 -8.206 1.00 0.00 H new ATOM 0 HB THR A 554 86.754 -11.752 -7.401 1.00 0.00 H new ATOM 0 HG1 THR A 554 88.066 -10.332 -6.064 1.00 0.00 H new ATOM 0 HG21 THR A 554 88.648 -10.429 -8.337 1.00 0.00 H new ATOM 0 HG22 THR A 554 87.334 -10.633 -9.519 1.00 0.00 H new ATOM 0 HG23 THR A 554 87.528 -9.085 -8.663 1.00 0.00 H new ATOM 1921 N GLU A 555 84.564 -10.843 -5.498 1.00 0.00 N ATOM 1922 CA GLU A 555 83.929 -10.602 -4.208 1.00 0.00 C ATOM 1923 C GLU A 555 84.313 -11.677 -3.197 1.00 0.00 C ATOM 1924 O GLU A 555 83.450 -12.284 -2.562 1.00 0.00 O ATOM 1925 CB GLU A 555 82.408 -10.558 -4.364 1.00 0.00 C ATOM 1926 CG GLU A 555 81.712 -9.724 -3.299 1.00 0.00 C ATOM 1927 CD GLU A 555 80.202 -9.836 -3.366 1.00 0.00 C ATOM 1928 OE1 GLU A 555 79.694 -10.462 -4.320 1.00 0.00 O ATOM 1929 OE2 GLU A 555 79.527 -9.297 -2.464 1.00 0.00 O ATOM 0 H GLU A 555 85.026 -11.749 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 555 84.280 -9.639 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 555 82.163 -10.155 -5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 555 82.018 -11.575 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 555 82.053 -10.042 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 555 82.001 -8.679 -3.415 1.00 0.00 H new ATOM 1936 N LYS A 556 85.613 -11.906 -3.048 1.00 0.00 N ATOM 1937 CA LYS A 556 86.110 -12.906 -2.110 1.00 0.00 C ATOM 1938 C LYS A 556 86.027 -12.390 -0.677 1.00 0.00 C ATOM 1939 O LYS A 556 86.361 -11.237 -0.401 1.00 0.00 O ATOM 1940 CB LYS A 556 87.552 -13.279 -2.450 1.00 0.00 C ATOM 1941 CG LYS A 556 88.529 -12.125 -2.297 1.00 0.00 C ATOM 1942 CD LYS A 556 89.969 -12.602 -2.370 1.00 0.00 C ATOM 1943 CE LYS A 556 90.429 -13.183 -1.043 1.00 0.00 C ATOM 1944 NZ LYS A 556 91.815 -13.722 -1.125 1.00 0.00 N ATOM 0 H LYS A 556 86.341 -11.413 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 556 85.485 -13.795 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 556 87.868 -14.100 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 556 87.592 -13.645 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 556 88.349 -11.388 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 556 88.358 -11.626 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 556 90.065 -13.356 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 556 90.616 -11.770 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 556 90.384 -12.412 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 556 89.748 -13.977 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 91.920 -14.512 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 92.000 -14.059 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 92.494 -12.972 -0.884 1.00 0.00 H new ATOM 1958 N LEU A 557 85.578 -13.249 0.230 1.00 0.00 N ATOM 1959 CA LEU A 557 85.448 -12.881 1.635 1.00 0.00 C ATOM 1960 C LEU A 557 86.755 -13.108 2.385 1.00 0.00 C ATOM 1961 O LEU A 557 87.229 -12.230 3.105 1.00 0.00 O ATOM 1962 CB LEU A 557 84.323 -13.686 2.290 1.00 0.00 C ATOM 1963 CG LEU A 557 82.935 -13.052 2.196 1.00 0.00 C ATOM 1964 CD1 LEU A 557 81.892 -13.955 2.835 1.00 0.00 C ATOM 1965 CD2 LEU A 557 82.930 -11.680 2.853 1.00 0.00 C ATOM 0 H LEU A 557 85.297 -14.206 0.018 1.00 0.00 H new ATOM 0 HA LEU A 557 85.206 -11.819 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 557 84.287 -14.673 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 557 84.568 -13.834 3.342 1.00 0.00 H new ATOM 0 HG LEU A 557 82.683 -12.929 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 557 80.910 -13.488 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 557 81.878 -14.915 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 557 82.139 -14.110 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 557 81.934 -11.244 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 557 83.203 -11.779 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 557 83.649 -11.033 2.350 1.00 0.00 H new ATOM 1977 N ILE A 558 87.334 -14.291 2.212 1.00 0.00 N ATOM 1978 CA ILE A 558 88.587 -14.630 2.875 1.00 0.00 C ATOM 1979 C ILE A 558 89.119 -15.975 2.394 1.00 0.00 C ATOM 1980 O ILE A 558 88.359 -16.823 1.926 1.00 0.00 O ATOM 1981 CB ILE A 558 88.420 -14.674 4.407 1.00 0.00 C ATOM 1982 CG1 ILE A 558 86.944 -14.809 4.784 1.00 0.00 C ATOM 1983 CG2 ILE A 558 89.021 -13.426 5.039 1.00 0.00 C ATOM 1984 CD1 ILE A 558 86.722 -15.158 6.239 1.00 0.00 C ATOM 0 H ILE A 558 86.956 -15.030 1.619 1.00 0.00 H new ATOM 0 HA ILE A 558 89.301 -13.848 2.617 1.00 0.00 H new ATOM 0 HB ILE A 558 88.950 -15.547 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 558 86.433 -13.872 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 558 86.487 -15.577 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 558 88.896 -13.470 6.121 1.00 0.00 H new ATOM 0 HG22 ILE A 558 90.083 -13.371 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 558 88.515 -12.542 4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 558 85.653 -15.238 6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 558 87.204 -16.110 6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 558 87.149 -14.378 6.869 1.00 0.00 H new ATOM 1996 N THR A 559 90.430 -16.162 2.510 1.00 0.00 N ATOM 1997 CA THR A 559 91.066 -17.402 2.085 1.00 0.00 C ATOM 1998 C THR A 559 91.781 -18.081 3.248 1.00 0.00 C ATOM 1999 O THR A 559 92.445 -17.425 4.051 1.00 0.00 O ATOM 2000 CB THR A 559 92.079 -17.152 0.952 1.00 0.00 C ATOM 2001 OG1 THR A 559 91.655 -16.080 0.099 1.00 0.00 O ATOM 2002 CG2 THR A 559 92.262 -18.400 0.102 1.00 0.00 C ATOM 0 H THR A 559 91.072 -15.469 2.895 1.00 0.00 H new ATOM 0 HA THR A 559 90.273 -18.054 1.719 1.00 0.00 H new ATOM 0 HB THR A 559 93.024 -16.885 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 559 91.852 -16.307 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 559 92.982 -18.198 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 559 92.629 -19.215 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 559 91.306 -18.683 -0.339 1.00 0.00 H new ATOM 2010 N LYS A 560 91.641 -19.401 3.333 1.00 0.00 N ATOM 2011 CA LYS A 560 92.274 -20.170 4.398 1.00 0.00 C ATOM 2012 C LYS A 560 93.683 -20.596 3.995 1.00 0.00 C ATOM 2013 O LYS A 560 94.666 -19.961 4.376 1.00 0.00 O ATOM 2014 CB LYS A 560 91.432 -21.402 4.734 1.00 0.00 C ATOM 2015 CG LYS A 560 90.413 -21.160 5.834 1.00 0.00 C ATOM 2016 CD LYS A 560 90.679 -22.040 7.044 1.00 0.00 C ATOM 2017 CE LYS A 560 90.980 -21.209 8.281 1.00 0.00 C ATOM 2018 NZ LYS A 560 89.754 -20.948 9.087 1.00 0.00 N ATOM 0 H LYS A 560 91.095 -19.959 2.677 1.00 0.00 H new ATOM 0 HA LYS A 560 92.344 -19.535 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 560 90.912 -21.733 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 560 92.094 -22.213 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 560 90.440 -20.112 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 560 89.411 -21.357 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 560 89.812 -22.674 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 560 91.519 -22.702 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 560 91.715 -21.727 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 560 91.426 -20.261 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 90.002 -20.379 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 89.062 -20.431 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 89.342 -21.852 9.395 1.00 0.00 H new ATOM 2032 N ALA A 561 93.772 -21.674 3.223 1.00 0.00 N ATOM 2033 CA ALA A 561 95.060 -22.184 2.768 1.00 0.00 C ATOM 2034 C ALA A 561 94.913 -22.949 1.458 1.00 0.00 C ATOM 2035 O ALA A 561 93.864 -22.795 0.798 1.00 0.00 O ATOM 2036 CB ALA A 561 95.698 -23.071 3.827 1.00 0.00 C ATOM 2037 OXT ALA A 561 95.849 -23.695 1.101 1.00 0.00 O ATOM 0 H ALA A 561 92.968 -22.211 2.899 1.00 0.00 H new ATOM 0 HA ALA A 561 95.713 -21.328 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 561 96.658 -23.439 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 561 95.852 -22.495 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 561 95.042 -23.916 4.038 1.00 0.00 H new TER 2043 ALA A 561