USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 682 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 45 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.23) USER MOD Set 1.2: A 59 MET CE :methyl -168:sc= -0.154 (180deg=-0.317) USER MOD Set 2.1: A 35 HIS : no HE2:sc= 0.465 K(o=0.61,f=-3.1!) USER MOD Set 2.2: B 199 CYS SG : rot 180:sc= 0.143 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 0.632 (180deg=-1.86!) USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= 1.28 (180deg=1.23) USER MOD Single : A 29 GLN : amide:sc= -0.337 K(o=-0.34,f=-1.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -83:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 175:sc= 0 (180deg=-0.0639) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -66:sc= 0.155 USER MOD Single : A 43 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.0027) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 1.35 (180deg=1.23) USER MOD Single : A 50 SER OG : rot 74:sc= 0.715 USER MOD Single : A 51 TYR OH : rot 23:sc= -1.61! USER MOD Single : A 52 CYS SG : rot 81:sc= -0.573! USER MOD Single : A 53 GLN : amide:sc= -0.475 K(o=-0.47,f=-2.7!) USER MOD Single : A 55 GLN : amide:sc= -0.0558 X(o=-0.056,f=-0.091) USER MOD Single : A 60 ASN : amide:sc= 0.479 K(o=0.48,f=-0.061) USER MOD Single : A 61 SER OG : rot -82:sc= 1.27 USER MOD Single : A 69 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.82) USER MOD Single : A 74 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.3) USER MOD Single : A 75 HIS : no HD1:sc= 0.468 K(o=0.47,f=-4.1!) USER MOD Single : A 76 THR OG1 : rot -52:sc= 0.838 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.904 K(o=0.9,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0204 K(o=-0.02,f=-1) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.116 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.380 -5.964 -0.637 1.00 10.00 N ATOM 2 CA TYR A 21 11.976 -5.598 -0.768 1.00 10.00 C ATOM 3 C TYR A 21 11.186 -6.063 0.447 1.00 10.00 C ATOM 4 O TYR A 21 11.465 -7.121 1.016 1.00 10.00 O ATOM 5 CB TYR A 21 11.371 -6.209 -2.035 1.00 10.00 C ATOM 6 CG TYR A 21 11.858 -5.577 -3.321 1.00 10.00 C ATOM 7 CD1 TYR A 21 11.052 -4.698 -4.034 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.116 -5.867 -3.826 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.489 -4.128 -5.215 1.00 10.00 C ATOM 10 CE2 TYR A 21 13.561 -5.297 -5.002 1.00 10.00 C ATOM 11 CZ TYR A 21 12.745 -4.432 -5.693 1.00 10.00 C ATOM 12 OH TYR A 21 13.185 -3.884 -6.872 1.00 10.00 O ATOM 0 HA TYR A 21 11.920 -4.512 -0.837 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.601 -7.274 -2.057 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.286 -6.118 -1.987 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.068 -4.456 -3.659 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.759 -6.550 -3.291 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.850 -3.449 -5.760 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.546 -5.530 -5.378 1.00 10.00 H new ATOM 0 HH TYR A 21 14.092 -4.202 -7.062 1.00 10.00 H new ATOM 22 N ILE A 22 10.212 -5.259 0.841 1.00 10.00 N ATOM 23 CA ILE A 22 9.362 -5.567 1.977 1.00 10.00 C ATOM 24 C ILE A 22 7.979 -5.970 1.482 1.00 10.00 C ATOM 25 O ILE A 22 7.263 -5.160 0.897 1.00 10.00 O ATOM 26 CB ILE A 22 9.238 -4.357 2.931 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.621 -3.914 3.428 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.328 -4.689 4.105 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.372 -4.979 4.201 1.00 10.00 C ATOM 0 H ILE A 22 9.989 -4.376 0.382 1.00 10.00 H new ATOM 0 HA ILE A 22 9.816 -6.390 2.529 1.00 10.00 H new ATOM 0 HB ILE A 22 8.793 -3.531 2.376 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.223 -3.610 2.571 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.503 -3.035 4.062 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.254 -3.824 4.764 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.336 -4.948 3.735 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.741 -5.533 4.658 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.339 -4.586 4.516 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.794 -5.267 5.079 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.525 -5.851 3.565 1.00 10.00 H new ATOM 41 N LYS A 23 7.613 -7.217 1.712 1.00 10.00 N ATOM 42 CA LYS A 23 6.322 -7.726 1.274 1.00 10.00 C ATOM 43 C LYS A 23 5.249 -7.454 2.324 1.00 10.00 C ATOM 44 O LYS A 23 5.249 -8.060 3.400 1.00 10.00 O ATOM 45 CB LYS A 23 6.433 -9.225 0.999 1.00 10.00 C ATOM 46 CG LYS A 23 5.424 -9.755 -0.004 1.00 10.00 C ATOM 47 CD LYS A 23 5.691 -11.215 -0.348 1.00 10.00 C ATOM 48 CE LYS A 23 5.192 -12.164 0.737 1.00 10.00 C ATOM 49 NZ LYS A 23 6.116 -12.245 1.905 1.00 10.00 N ATOM 0 H LYS A 23 8.192 -7.900 2.201 1.00 10.00 H new ATOM 0 HA LYS A 23 6.031 -7.213 0.357 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.437 -9.442 0.635 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.311 -9.764 1.938 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.418 -9.654 0.403 1.00 10.00 H new ATOM 0 HG3 LYS A 23 5.462 -9.153 -0.912 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.205 -11.459 -1.293 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.761 -11.362 -0.493 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.211 -11.834 1.078 1.00 10.00 H new ATOM 0 HE3 LYS A 23 5.064 -13.159 0.312 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 6.402 -13.234 2.053 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 6.959 -11.664 1.722 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.632 -11.894 2.756 1.00 10.00 H new ATOM 63 N LEU A 24 4.349 -6.532 2.010 1.00 10.00 N ATOM 64 CA LEU A 24 3.263 -6.178 2.914 1.00 10.00 C ATOM 65 C LEU A 24 1.992 -6.926 2.528 1.00 10.00 C ATOM 66 O LEU A 24 1.694 -7.090 1.341 1.00 10.00 O ATOM 67 CB LEU A 24 3.003 -4.669 2.881 1.00 10.00 C ATOM 68 CG LEU A 24 4.192 -3.786 3.263 1.00 10.00 C ATOM 69 CD1 LEU A 24 3.875 -2.324 2.992 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.557 -3.982 4.727 1.00 10.00 C ATOM 0 H LEU A 24 4.350 -6.013 1.132 1.00 10.00 H new ATOM 0 HA LEU A 24 3.554 -6.462 3.925 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.678 -4.396 1.877 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.176 -4.446 3.555 1.00 10.00 H new ATOM 0 HG LEU A 24 5.046 -4.078 2.652 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.731 -1.709 3.269 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.659 -2.189 1.932 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.007 -2.025 3.580 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.405 -3.345 4.979 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.705 -3.716 5.353 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.823 -5.025 4.899 1.00 10.00 H new ATOM 82 N LYS A 25 1.250 -7.375 3.529 1.00 10.00 N ATOM 83 CA LYS A 25 0.012 -8.103 3.299 1.00 10.00 C ATOM 84 C LYS A 25 -1.175 -7.153 3.300 1.00 10.00 C ATOM 85 O LYS A 25 -1.557 -6.622 4.344 1.00 10.00 O ATOM 86 CB LYS A 25 -0.190 -9.178 4.368 1.00 10.00 C ATOM 87 CG LYS A 25 0.842 -10.292 4.320 1.00 10.00 C ATOM 88 CD LYS A 25 0.363 -11.537 5.047 1.00 10.00 C ATOM 89 CE LYS A 25 -0.810 -12.186 4.326 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.036 -13.582 4.776 1.00 10.00 N ATOM 0 H LYS A 25 1.486 -7.247 4.513 1.00 10.00 H new ATOM 0 HA LYS A 25 0.082 -8.584 2.323 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.160 -8.709 5.352 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.184 -9.611 4.252 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.062 -10.539 3.281 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.773 -9.945 4.769 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.183 -12.251 5.127 1.00 10.00 H new ATOM 0 HD3 LYS A 25 0.068 -11.276 6.063 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.712 -11.599 4.499 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.625 -12.177 3.252 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -2.037 -13.831 4.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.442 -14.227 4.217 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -0.787 -13.667 5.782 1.00 10.00 H new ATOM 104 N VAL A 26 -1.745 -6.937 2.128 1.00 10.00 N ATOM 105 CA VAL A 26 -2.893 -6.058 1.990 1.00 10.00 C ATOM 106 C VAL A 26 -4.176 -6.874 2.041 1.00 10.00 C ATOM 107 O VAL A 26 -4.405 -7.739 1.191 1.00 10.00 O ATOM 108 CB VAL A 26 -2.845 -5.261 0.670 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.936 -4.198 0.638 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.476 -4.629 0.470 1.00 10.00 C ATOM 0 H VAL A 26 -1.430 -7.360 1.255 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.868 -5.348 2.816 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.023 -5.957 -0.150 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.882 -3.649 -0.302 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.912 -4.676 0.724 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.796 -3.507 1.470 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.466 -4.072 -0.467 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.264 -3.952 1.297 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.716 -5.410 0.436 1.00 10.00 H new ATOM 120 N ILE A 27 -4.994 -6.611 3.048 1.00 10.00 N ATOM 121 CA ILE A 27 -6.253 -7.326 3.217 1.00 10.00 C ATOM 122 C ILE A 27 -7.419 -6.505 2.680 1.00 10.00 C ATOM 123 O ILE A 27 -7.723 -5.428 3.199 1.00 10.00 O ATOM 124 CB ILE A 27 -6.512 -7.672 4.701 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.324 -8.442 5.295 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.798 -8.476 4.853 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.017 -9.747 4.589 1.00 10.00 C ATOM 0 H ILE A 27 -4.810 -5.907 3.763 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.173 -8.254 2.651 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.625 -6.738 5.251 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.439 -7.806 5.261 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.528 -8.649 6.346 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.960 -8.708 5.906 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.638 -7.893 4.477 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.717 -9.403 4.285 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -4.165 -10.229 5.069 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.885 -10.404 4.645 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.780 -9.548 3.544 1.00 10.00 H new ATOM 139 N GLY A 28 -8.057 -7.014 1.632 1.00 10.00 N ATOM 140 CA GLY A 28 -9.190 -6.327 1.041 1.00 10.00 C ATOM 141 C GLY A 28 -10.482 -6.598 1.790 1.00 10.00 C ATOM 142 O GLY A 28 -10.514 -7.421 2.707 1.00 10.00 O ATOM 0 H GLY A 28 -7.808 -7.894 1.180 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.997 -5.254 1.031 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.301 -6.641 0.003 1.00 10.00 H new ATOM 146 N GLN A 29 -11.557 -5.928 1.386 1.00 10.00 N ATOM 147 CA GLN A 29 -12.856 -6.096 2.037 1.00 10.00 C ATOM 148 C GLN A 29 -13.481 -7.439 1.663 1.00 10.00 C ATOM 149 O GLN A 29 -14.430 -7.894 2.301 1.00 10.00 O ATOM 150 CB GLN A 29 -13.800 -4.950 1.660 1.00 10.00 C ATOM 151 CG GLN A 29 -15.073 -4.898 2.499 1.00 10.00 C ATOM 152 CD GLN A 29 -14.813 -4.515 3.947 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.847 -3.338 4.307 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.552 -5.506 4.788 1.00 10.00 N ATOM 0 H GLN A 29 -11.556 -5.264 0.612 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.698 -6.077 3.115 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.268 -4.004 1.765 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.073 -5.047 0.609 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.764 -4.180 2.057 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.562 -5.872 2.468 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.533 -6.469 4.452 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.370 -5.306 5.772 1.00 10.00 H new ATOM 163 N ASP A 30 -12.949 -8.070 0.628 1.00 10.00 N ATOM 164 CA ASP A 30 -13.445 -9.367 0.186 1.00 10.00 C ATOM 165 C ASP A 30 -12.543 -10.475 0.728 1.00 10.00 C ATOM 166 O ASP A 30 -12.565 -11.613 0.249 1.00 10.00 O ATOM 167 CB ASP A 30 -13.535 -9.430 -1.346 1.00 10.00 C ATOM 168 CG ASP A 30 -12.183 -9.361 -2.032 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.308 -8.611 -1.556 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.996 -10.047 -3.063 1.00 10.00 O ATOM 0 H ASP A 30 -12.172 -7.705 0.076 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.452 -9.510 0.578 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.034 -10.355 -1.636 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.156 -8.608 -1.700 1.00 10.00 H new ATOM 175 N SER A 31 -11.754 -10.114 1.741 1.00 10.00 N ATOM 176 CA SER A 31 -10.832 -11.034 2.403 1.00 10.00 C ATOM 177 C SER A 31 -9.804 -11.613 1.428 1.00 10.00 C ATOM 178 O SER A 31 -9.512 -12.808 1.446 1.00 10.00 O ATOM 179 CB SER A 31 -11.617 -12.149 3.105 1.00 10.00 C ATOM 180 OG SER A 31 -12.615 -11.605 3.959 1.00 10.00 O ATOM 0 H SER A 31 -11.738 -9.170 2.126 1.00 10.00 H new ATOM 0 HA SER A 31 -10.274 -10.471 3.151 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.082 -12.796 2.361 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.935 -12.770 3.685 1.00 10.00 H new ATOM 0 HG SER A 31 -13.105 -12.333 4.395 1.00 10.00 H new ATOM 186 N SER A 32 -9.258 -10.752 0.580 1.00 10.00 N ATOM 187 CA SER A 32 -8.251 -11.162 -0.388 1.00 10.00 C ATOM 188 C SER A 32 -6.857 -10.862 0.159 1.00 10.00 C ATOM 189 O SER A 32 -6.649 -9.834 0.808 1.00 10.00 O ATOM 190 CB SER A 32 -8.474 -10.422 -1.710 1.00 10.00 C ATOM 191 OG SER A 32 -8.785 -9.054 -1.483 1.00 10.00 O ATOM 0 H SER A 32 -9.497 -9.761 0.543 1.00 10.00 H new ATOM 0 HA SER A 32 -8.335 -12.234 -0.566 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.579 -10.497 -2.328 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.285 -10.896 -2.264 1.00 10.00 H new ATOM 0 HG SER A 32 -9.740 -8.965 -1.283 1.00 10.00 H new ATOM 197 N GLU A 33 -5.914 -11.762 -0.084 1.00 10.00 N ATOM 198 CA GLU A 33 -4.549 -11.572 0.384 1.00 10.00 C ATOM 199 C GLU A 33 -3.655 -11.098 -0.754 1.00 10.00 C ATOM 200 O GLU A 33 -3.225 -11.892 -1.594 1.00 10.00 O ATOM 201 CB GLU A 33 -3.990 -12.868 0.978 1.00 10.00 C ATOM 202 CG GLU A 33 -4.680 -13.301 2.260 1.00 10.00 C ATOM 203 CD GLU A 33 -4.027 -14.513 2.889 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.424 -14.374 3.975 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.116 -15.615 2.309 1.00 10.00 O ATOM 0 H GLU A 33 -6.069 -12.628 -0.601 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.565 -10.810 1.163 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.082 -13.665 0.240 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.926 -12.737 1.175 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.668 -12.476 2.972 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.726 -13.524 2.048 1.00 10.00 H new ATOM 212 N ILE A 34 -3.400 -9.802 -0.799 1.00 10.00 N ATOM 213 CA ILE A 34 -2.548 -9.237 -1.832 1.00 10.00 C ATOM 214 C ILE A 34 -1.169 -8.950 -1.255 1.00 10.00 C ATOM 215 O ILE A 34 -1.051 -8.378 -0.170 1.00 10.00 O ATOM 216 CB ILE A 34 -3.133 -7.936 -2.427 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.669 -7.987 -2.465 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.571 -7.705 -3.826 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.235 -8.995 -3.446 1.00 10.00 C ATOM 0 H ILE A 34 -3.769 -9.122 -0.134 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.481 -9.969 -2.637 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.843 -7.103 -1.786 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.038 -8.222 -1.467 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.048 -6.997 -2.720 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.988 -6.786 -4.239 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.486 -7.619 -3.772 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.837 -8.545 -4.468 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.324 -8.966 -3.410 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.899 -8.750 -4.454 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.889 -9.994 -3.181 1.00 10.00 H new ATOM 231 N HIS A 35 -0.132 -9.353 -1.970 1.00 10.00 N ATOM 232 CA HIS A 35 1.234 -9.148 -1.513 1.00 10.00 C ATOM 233 C HIS A 35 1.880 -7.983 -2.246 1.00 10.00 C ATOM 234 O HIS A 35 2.186 -8.080 -3.436 1.00 10.00 O ATOM 235 CB HIS A 35 2.077 -10.411 -1.731 1.00 10.00 C ATOM 236 CG HIS A 35 1.542 -11.633 -1.050 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.539 -12.860 -1.679 1.00 10.00 N ATOM 238 CD2 HIS A 35 1.012 -11.769 0.190 1.00 10.00 C ATOM 239 CE1 HIS A 35 1.010 -13.705 -0.810 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.677 -13.089 0.330 1.00 10.00 N ATOM 0 H HIS A 35 -0.209 -9.825 -2.871 1.00 10.00 H new ATOM 0 HA HIS A 35 1.194 -8.923 -0.447 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.147 -10.607 -2.801 1.00 10.00 H new ATOM 0 HB3 HIS A 35 3.090 -10.224 -1.374 1.00 10.00 H new ATOM 0 HD1 HIS A 35 1.875 -13.072 -2.619 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.880 -10.988 0.924 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.865 -14.759 -0.997 1.00 10.00 H new ATOM 248 N PHE A 36 2.085 -6.885 -1.542 1.00 10.00 N ATOM 249 CA PHE A 36 2.716 -5.722 -2.139 1.00 10.00 C ATOM 250 C PHE A 36 4.163 -5.639 -1.678 1.00 10.00 C ATOM 251 O PHE A 36 4.435 -5.365 -0.511 1.00 10.00 O ATOM 252 CB PHE A 36 1.969 -4.436 -1.770 1.00 10.00 C ATOM 253 CG PHE A 36 2.009 -3.391 -2.853 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.159 -3.191 -3.603 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.893 -2.616 -3.131 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.193 -2.242 -4.605 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.923 -1.664 -4.131 1.00 10.00 C ATOM 258 CZ PHE A 36 2.072 -1.478 -4.871 1.00 10.00 C ATOM 0 H PHE A 36 1.826 -6.774 -0.562 1.00 10.00 H new ATOM 0 HA PHE A 36 2.683 -5.827 -3.223 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.930 -4.679 -1.548 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.401 -4.022 -0.859 1.00 10.00 H new ATOM 0 HD1 PHE A 36 4.038 -3.785 -3.400 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.011 -2.759 -2.558 1.00 10.00 H new ATOM 0 HE1 PHE A 36 4.095 -2.096 -5.181 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.047 -1.065 -4.334 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.096 -0.737 -5.656 1.00 10.00 H new ATOM 268 N LYS A 37 5.085 -5.899 -2.589 1.00 10.00 N ATOM 269 CA LYS A 37 6.500 -5.854 -2.258 1.00 10.00 C ATOM 270 C LYS A 37 7.058 -4.471 -2.547 1.00 10.00 C ATOM 271 O LYS A 37 7.311 -4.110 -3.698 1.00 10.00 O ATOM 272 CB LYS A 37 7.296 -6.925 -3.014 1.00 10.00 C ATOM 273 CG LYS A 37 6.473 -7.735 -4.005 1.00 10.00 C ATOM 274 CD LYS A 37 7.130 -9.072 -4.313 1.00 10.00 C ATOM 275 CE LYS A 37 8.391 -8.903 -5.147 1.00 10.00 C ATOM 276 NZ LYS A 37 9.246 -10.118 -5.109 1.00 10.00 N ATOM 0 H LYS A 37 4.882 -6.142 -3.558 1.00 10.00 H new ATOM 0 HA LYS A 37 6.602 -6.066 -1.194 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.115 -6.443 -3.548 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.745 -7.606 -2.290 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.475 -7.903 -3.599 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.350 -7.167 -4.927 1.00 10.00 H new ATOM 0 HD2 LYS A 37 7.376 -9.579 -3.380 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.424 -9.709 -4.846 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.117 -8.684 -6.179 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.958 -8.048 -4.779 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.095 -9.963 -5.689 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.528 -10.313 -4.127 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 8.714 -10.929 -5.484 1.00 10.00 H new ATOM 290 N VAL A 38 7.224 -3.699 -1.487 1.00 10.00 N ATOM 291 CA VAL A 38 7.738 -2.349 -1.595 1.00 10.00 C ATOM 292 C VAL A 38 9.251 -2.352 -1.441 1.00 10.00 C ATOM 293 O VAL A 38 9.815 -3.240 -0.809 1.00 10.00 O ATOM 294 CB VAL A 38 7.103 -1.419 -0.534 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.588 -1.522 -0.582 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.610 -1.748 0.866 1.00 10.00 C ATOM 0 H VAL A 38 7.007 -3.990 -0.534 1.00 10.00 H new ATOM 0 HA VAL A 38 7.475 -1.968 -2.582 1.00 10.00 H new ATOM 0 HB VAL A 38 7.397 -0.395 -0.766 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.154 -0.862 0.170 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.234 -1.228 -1.570 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.287 -2.550 -0.380 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.145 -1.077 1.588 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.356 -2.779 1.112 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.692 -1.624 0.900 1.00 10.00 H new ATOM 306 N LYS A 39 9.907 -1.368 -2.017 1.00 10.00 N ATOM 307 CA LYS A 39 11.354 -1.277 -1.930 1.00 10.00 C ATOM 308 C LYS A 39 11.741 -0.201 -0.930 1.00 10.00 C ATOM 309 O LYS A 39 11.033 0.800 -0.784 1.00 10.00 O ATOM 310 CB LYS A 39 11.941 -0.949 -3.300 1.00 10.00 C ATOM 311 CG LYS A 39 13.382 -1.387 -3.485 1.00 10.00 C ATOM 312 CD LYS A 39 13.923 -0.879 -4.806 1.00 10.00 C ATOM 313 CE LYS A 39 15.374 -1.257 -5.010 1.00 10.00 C ATOM 314 NZ LYS A 39 15.908 -0.684 -6.271 1.00 10.00 N ATOM 0 H LYS A 39 9.465 -0.619 -2.550 1.00 10.00 H new ATOM 0 HA LYS A 39 11.751 -2.236 -1.597 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.329 -1.423 -4.067 1.00 10.00 H new ATOM 0 HB3 LYS A 39 11.877 0.127 -3.461 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.992 -1.008 -2.665 1.00 10.00 H new ATOM 0 HG3 LYS A 39 13.445 -2.475 -3.453 1.00 10.00 H new ATOM 0 HD2 LYS A 39 13.325 -1.284 -5.622 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.822 0.206 -4.845 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.967 -0.902 -4.167 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.470 -2.343 -5.032 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.904 -0.960 -6.383 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.356 -1.043 -7.076 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.838 0.353 -6.238 1.00 10.00 H new ATOM 328 N MET A 40 12.855 -0.399 -0.243 1.00 10.00 N ATOM 329 CA MET A 40 13.324 0.569 0.736 1.00 10.00 C ATOM 330 C MET A 40 13.973 1.760 0.031 1.00 10.00 C ATOM 331 O MET A 40 15.179 1.977 0.124 1.00 10.00 O ATOM 332 CB MET A 40 14.305 -0.091 1.714 1.00 10.00 C ATOM 333 CG MET A 40 14.628 0.761 2.935 1.00 10.00 C ATOM 334 SD MET A 40 13.155 1.459 3.717 1.00 10.00 S ATOM 335 CE MET A 40 12.277 -0.027 4.200 1.00 10.00 C ATOM 0 H MET A 40 13.451 -1.221 -0.345 1.00 10.00 H new ATOM 0 HA MET A 40 12.471 0.933 1.308 1.00 10.00 H new ATOM 0 HB2 MET A 40 13.887 -1.041 2.047 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.231 -0.318 1.186 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.166 0.154 3.663 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.295 1.571 2.640 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.391 0.244 4.773 1.00 10.00 H new ATOM 0 HE2 MET A 40 11.978 -0.579 3.309 1.00 10.00 H new ATOM 0 HE3 MET A 40 12.928 -0.652 4.812 1.00 10.00 H new ATOM 345 N THR A 41 13.151 2.512 -0.691 1.00 10.00 N ATOM 346 CA THR A 41 13.598 3.684 -1.430 1.00 10.00 C ATOM 347 C THR A 41 12.426 4.319 -2.167 1.00 10.00 C ATOM 348 O THR A 41 12.430 5.517 -2.455 1.00 10.00 O ATOM 349 CB THR A 41 14.712 3.333 -2.455 1.00 10.00 C ATOM 350 OG1 THR A 41 15.585 4.458 -2.635 1.00 10.00 O ATOM 351 CG2 THR A 41 14.133 2.911 -3.808 1.00 10.00 C ATOM 0 H THR A 41 12.152 2.325 -0.780 1.00 10.00 H new ATOM 0 HA THR A 41 14.009 4.385 -0.704 1.00 10.00 H new ATOM 0 HB THR A 41 15.272 2.489 -2.053 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.285 4.229 -3.281 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.946 2.675 -4.494 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.503 2.032 -3.676 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.537 3.726 -4.219 1.00 10.00 H new ATOM 359 N THR A 42 11.418 3.508 -2.453 1.00 10.00 N ATOM 360 CA THR A 42 10.257 3.974 -3.177 1.00 10.00 C ATOM 361 C THR A 42 9.416 4.904 -2.322 1.00 10.00 C ATOM 362 O THR A 42 9.210 4.649 -1.131 1.00 10.00 O ATOM 363 CB THR A 42 9.379 2.797 -3.637 1.00 10.00 C ATOM 364 OG1 THR A 42 8.816 2.129 -2.495 1.00 10.00 O ATOM 365 CG2 THR A 42 10.186 1.797 -4.443 1.00 10.00 C ATOM 0 H THR A 42 11.386 2.523 -2.192 1.00 10.00 H new ATOM 0 HA THR A 42 10.624 4.515 -4.049 1.00 10.00 H new ATOM 0 HB THR A 42 8.584 3.198 -4.265 1.00 10.00 H new ATOM 0 HG1 THR A 42 9.532 1.702 -1.980 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.541 0.976 -4.755 1.00 10.00 H new ATOM 0 HG22 THR A 42 10.599 2.289 -5.324 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.999 1.407 -3.830 1.00 10.00 H new ATOM 373 N HIS A 43 8.926 5.970 -2.927 1.00 10.00 N ATOM 374 CA HIS A 43 8.088 6.914 -2.216 1.00 10.00 C ATOM 375 C HIS A 43 6.683 6.337 -2.152 1.00 10.00 C ATOM 376 O HIS A 43 6.198 5.778 -3.140 1.00 10.00 O ATOM 377 CB HIS A 43 8.064 8.282 -2.915 1.00 10.00 C ATOM 378 CG HIS A 43 9.414 8.892 -3.182 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.530 10.039 -3.934 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.658 8.507 -2.781 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.819 10.321 -3.966 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.530 9.424 -3.281 1.00 10.00 N ATOM 0 H HIS A 43 9.094 6.202 -3.906 1.00 10.00 H new ATOM 0 HA HIS A 43 8.489 7.070 -1.214 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.537 8.178 -3.863 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.486 8.974 -2.303 1.00 10.00 H new ATOM 0 HD2 HIS A 43 10.904 7.642 -2.183 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.244 11.170 -4.481 1.00 10.00 H new ATOM 0 HE2 HIS A 43 12.542 9.425 -3.155 1.00 10.00 H new ATOM 390 N LEU A 44 6.021 6.469 -1.008 1.00 10.00 N ATOM 391 CA LEU A 44 4.678 5.923 -0.849 1.00 10.00 C ATOM 392 C LEU A 44 3.666 6.619 -1.759 1.00 10.00 C ATOM 393 O LEU A 44 2.520 6.184 -1.873 1.00 10.00 O ATOM 394 CB LEU A 44 4.238 5.980 0.616 1.00 10.00 C ATOM 395 CG LEU A 44 4.778 4.834 1.480 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.517 5.088 2.953 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.162 3.511 1.056 1.00 10.00 C ATOM 0 H LEU A 44 6.388 6.945 -0.184 1.00 10.00 H new ATOM 0 HA LEU A 44 4.713 4.877 -1.154 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.564 6.928 1.045 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.149 5.969 0.657 1.00 10.00 H new ATOM 0 HG LEU A 44 5.857 4.783 1.331 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.911 4.259 3.541 1.00 10.00 H new ATOM 0 HD12 LEU A 44 5.008 6.013 3.255 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.444 5.175 3.123 1.00 10.00 H new ATOM 0 HD21 LEU A 44 4.557 2.709 1.680 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.079 3.560 1.171 1.00 10.00 H new ATOM 0 HD23 LEU A 44 4.408 3.313 0.013 1.00 10.00 H new ATOM 409 N LYS A 45 4.103 7.684 -2.418 1.00 10.00 N ATOM 410 CA LYS A 45 3.257 8.419 -3.347 1.00 10.00 C ATOM 411 C LYS A 45 2.862 7.517 -4.516 1.00 10.00 C ATOM 412 O LYS A 45 1.678 7.338 -4.806 1.00 10.00 O ATOM 413 CB LYS A 45 4.003 9.651 -3.873 1.00 10.00 C ATOM 414 CG LYS A 45 3.211 10.480 -4.876 1.00 10.00 C ATOM 415 CD LYS A 45 2.101 11.260 -4.196 1.00 10.00 C ATOM 416 CE LYS A 45 1.209 11.972 -5.197 1.00 10.00 C ATOM 417 NZ LYS A 45 0.152 12.762 -4.517 1.00 10.00 N ATOM 0 H LYS A 45 5.047 8.060 -2.325 1.00 10.00 H new ATOM 0 HA LYS A 45 2.357 8.743 -2.825 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.275 10.285 -3.029 1.00 10.00 H new ATOM 0 HB3 LYS A 45 4.933 9.327 -4.340 1.00 10.00 H new ATOM 0 HG2 LYS A 45 3.881 11.170 -5.389 1.00 10.00 H new ATOM 0 HG3 LYS A 45 2.785 9.825 -5.636 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.498 10.581 -3.592 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.537 11.991 -3.515 1.00 10.00 H new ATOM 0 HE2 LYS A 45 1.813 12.631 -5.820 1.00 10.00 H new ATOM 0 HE3 LYS A 45 0.748 11.240 -5.860 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.450 13.222 -5.229 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -0.428 12.131 -3.928 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.593 13.487 -3.916 1.00 10.00 H new ATOM 431 N LYS A 46 3.868 6.922 -5.157 1.00 10.00 N ATOM 432 CA LYS A 46 3.640 6.040 -6.297 1.00 10.00 C ATOM 433 C LYS A 46 3.018 4.724 -5.845 1.00 10.00 C ATOM 434 O LYS A 46 2.336 4.048 -6.619 1.00 10.00 O ATOM 435 CB LYS A 46 4.956 5.780 -7.037 1.00 10.00 C ATOM 436 CG LYS A 46 4.784 5.066 -8.372 1.00 10.00 C ATOM 437 CD LYS A 46 6.075 5.064 -9.176 1.00 10.00 C ATOM 438 CE LYS A 46 6.274 6.378 -9.915 1.00 10.00 C ATOM 439 NZ LYS A 46 7.681 6.551 -10.360 1.00 10.00 N ATOM 0 H LYS A 46 4.850 7.036 -4.904 1.00 10.00 H new ATOM 0 HA LYS A 46 2.945 6.531 -6.978 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.460 6.732 -7.207 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.608 5.184 -6.399 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.462 4.039 -8.197 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.997 5.554 -8.947 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.920 4.889 -8.510 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.058 4.242 -9.892 1.00 10.00 H new ATOM 0 HE2 LYS A 46 5.612 6.413 -10.780 1.00 10.00 H new ATOM 0 HE3 LYS A 46 5.993 7.207 -9.265 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 7.778 7.458 -10.860 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.310 6.543 -9.532 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.941 5.773 -11.000 1.00 10.00 H new ATOM 453 N LEU A 47 3.257 4.367 -4.588 1.00 10.00 N ATOM 454 CA LEU A 47 2.711 3.138 -4.021 1.00 10.00 C ATOM 455 C LEU A 47 1.194 3.155 -4.101 1.00 10.00 C ATOM 456 O LEU A 47 0.571 2.205 -4.578 1.00 10.00 O ATOM 457 CB LEU A 47 3.141 2.981 -2.560 1.00 10.00 C ATOM 458 CG LEU A 47 4.284 1.998 -2.298 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.944 0.629 -2.849 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.584 2.511 -2.890 1.00 10.00 C ATOM 0 H LEU A 47 3.826 4.912 -3.941 1.00 10.00 H new ATOM 0 HA LEU A 47 3.096 2.296 -4.596 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.436 3.960 -2.182 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.275 2.663 -1.979 1.00 10.00 H new ATOM 0 HG LEU A 47 4.418 1.909 -1.220 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.768 -0.057 -2.654 1.00 10.00 H new ATOM 0 HD12 LEU A 47 3.040 0.257 -2.367 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.779 0.700 -3.924 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.382 1.795 -2.691 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.469 2.636 -3.967 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.836 3.470 -2.438 1.00 10.00 H new ATOM 472 N LYS A 48 0.615 4.256 -3.650 1.00 10.00 N ATOM 473 CA LYS A 48 -0.827 4.427 -3.652 1.00 10.00 C ATOM 474 C LYS A 48 -1.373 4.422 -5.077 1.00 10.00 C ATOM 475 O LYS A 48 -2.429 3.847 -5.344 1.00 10.00 O ATOM 476 CB LYS A 48 -1.188 5.736 -2.946 1.00 10.00 C ATOM 477 CG LYS A 48 -0.592 5.850 -1.550 1.00 10.00 C ATOM 478 CD LYS A 48 -0.867 7.207 -0.920 1.00 10.00 C ATOM 479 CE LYS A 48 -2.346 7.396 -0.634 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.600 8.592 0.211 1.00 10.00 N ATOM 0 H LYS A 48 1.129 5.052 -3.274 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.281 3.593 -3.117 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.843 6.574 -3.551 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.273 5.817 -2.878 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.004 5.066 -0.915 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.484 5.686 -1.601 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.301 7.301 0.007 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.520 7.996 -1.587 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.888 7.495 -1.575 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.735 6.509 -0.134 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.608 8.844 0.162 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.344 8.381 1.197 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.027 9.388 -0.133 1.00 10.00 H new ATOM 494 N GLU A 49 -0.636 5.048 -5.987 1.00 10.00 N ATOM 495 CA GLU A 49 -1.040 5.120 -7.388 1.00 10.00 C ATOM 496 C GLU A 49 -1.045 3.733 -8.025 1.00 10.00 C ATOM 497 O GLU A 49 -2.020 3.339 -8.666 1.00 10.00 O ATOM 498 CB GLU A 49 -0.102 6.047 -8.163 1.00 10.00 C ATOM 499 CG GLU A 49 0.086 7.404 -7.507 1.00 10.00 C ATOM 500 CD GLU A 49 1.046 8.295 -8.265 1.00 10.00 C ATOM 501 OE1 GLU A 49 0.601 9.332 -8.802 1.00 10.00 O ATOM 502 OE2 GLU A 49 2.247 7.967 -8.329 1.00 10.00 O ATOM 0 H GLU A 49 0.247 5.515 -5.780 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.052 5.522 -7.429 1.00 10.00 H new ATOM 0 HB2 GLU A 49 0.870 5.564 -8.266 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.495 6.190 -9.170 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.881 7.902 -7.430 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.454 7.263 -6.491 1.00 10.00 H new ATOM 509 N SER A 50 0.040 2.993 -7.820 1.00 10.00 N ATOM 510 CA SER A 50 0.180 1.650 -8.377 1.00 10.00 C ATOM 511 C SER A 50 -0.945 0.725 -7.905 1.00 10.00 C ATOM 512 O SER A 50 -1.432 -0.112 -8.673 1.00 10.00 O ATOM 513 CB SER A 50 1.540 1.064 -7.995 1.00 10.00 C ATOM 514 OG SER A 50 2.597 1.890 -8.460 1.00 10.00 O ATOM 0 H SER A 50 0.840 3.302 -7.269 1.00 10.00 H new ATOM 0 HA SER A 50 0.112 1.728 -9.462 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.604 0.960 -6.912 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.641 0.064 -8.418 1.00 10.00 H new ATOM 0 HG SER A 50 2.652 2.695 -7.904 1.00 10.00 H new ATOM 520 N TYR A 51 -1.355 0.881 -6.649 1.00 10.00 N ATOM 521 CA TYR A 51 -2.424 0.065 -6.088 1.00 10.00 C ATOM 522 C TYR A 51 -3.754 0.373 -6.772 1.00 10.00 C ATOM 523 O TYR A 51 -4.524 -0.535 -7.098 1.00 10.00 O ATOM 524 CB TYR A 51 -2.547 0.300 -4.580 1.00 10.00 C ATOM 525 CG TYR A 51 -3.614 -0.544 -3.922 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.352 -1.852 -3.538 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.886 -0.036 -3.695 1.00 10.00 C ATOM 528 CE1 TYR A 51 -4.329 -2.629 -2.945 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.865 -0.805 -3.101 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.584 -2.100 -2.729 1.00 10.00 C ATOM 531 OH TYR A 51 -6.560 -2.871 -2.142 1.00 10.00 O ATOM 0 H TYR A 51 -0.962 1.565 -6.002 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.175 -0.982 -6.262 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.587 0.090 -4.108 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.766 1.353 -4.401 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.370 -2.269 -3.705 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.113 0.978 -3.988 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -4.111 -3.645 -2.652 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.848 -0.393 -2.928 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.141 -3.589 -1.623 1.00 10.00 H new ATOM 541 N CYS A 52 -4.012 1.657 -6.999 1.00 10.00 N ATOM 542 CA CYS A 52 -5.247 2.088 -7.641 1.00 10.00 C ATOM 543 C CYS A 52 -5.377 1.473 -9.033 1.00 10.00 C ATOM 544 O CYS A 52 -6.466 1.075 -9.449 1.00 10.00 O ATOM 545 CB CYS A 52 -5.291 3.615 -7.734 1.00 10.00 C ATOM 546 SG CYS A 52 -5.194 4.458 -6.137 1.00 10.00 S ATOM 0 H CYS A 52 -3.381 2.418 -6.747 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.085 1.746 -7.034 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.467 3.953 -8.362 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.214 3.911 -8.233 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.953 4.526 -5.757 1.00 10.00 H new ATOM 552 N GLN A 53 -4.252 1.372 -9.736 1.00 10.00 N ATOM 553 CA GLN A 53 -4.233 0.801 -11.080 1.00 10.00 C ATOM 554 C GLN A 53 -4.543 -0.693 -11.038 1.00 10.00 C ATOM 555 O GLN A 53 -5.110 -1.247 -11.979 1.00 10.00 O ATOM 556 CB GLN A 53 -2.867 1.026 -11.731 1.00 10.00 C ATOM 557 CG GLN A 53 -2.378 2.462 -11.653 1.00 10.00 C ATOM 558 CD GLN A 53 -0.903 2.597 -11.976 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.128 1.649 -11.815 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.501 3.781 -12.412 1.00 10.00 N ATOM 0 H GLN A 53 -3.340 1.679 -9.397 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.000 1.300 -11.672 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.135 0.377 -11.251 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.920 0.727 -12.778 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -2.955 3.076 -12.345 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.563 2.851 -10.652 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.176 4.537 -12.531 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.483 3.937 -12.629 1.00 10.00 H new ATOM 569 N ARG A 54 -4.181 -1.337 -9.935 1.00 10.00 N ATOM 570 CA ARG A 54 -4.414 -2.766 -9.769 1.00 10.00 C ATOM 571 C ARG A 54 -5.892 -3.049 -9.517 1.00 10.00 C ATOM 572 O ARG A 54 -6.417 -4.086 -9.925 1.00 10.00 O ATOM 573 CB ARG A 54 -3.572 -3.309 -8.611 1.00 10.00 C ATOM 574 CG ARG A 54 -3.585 -4.824 -8.506 1.00 10.00 C ATOM 575 CD ARG A 54 -2.185 -5.397 -8.616 1.00 10.00 C ATOM 576 NE ARG A 54 -2.181 -6.856 -8.541 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.225 -7.621 -9.062 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.193 -7.068 -9.687 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.307 -8.941 -8.972 1.00 10.00 N ATOM 0 H ARG A 54 -3.724 -0.890 -9.140 1.00 10.00 H new ATOM 0 HA ARG A 54 -4.119 -3.268 -10.690 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.543 -2.971 -8.732 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.939 -2.885 -7.676 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -4.028 -5.121 -7.555 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.213 -5.240 -9.294 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -1.738 -5.082 -9.559 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.564 -4.992 -7.817 1.00 10.00 H new ATOM 0 HE ARG A 54 -2.956 -7.315 -8.062 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.131 -6.053 -9.769 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.538 -7.658 -10.085 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.104 -9.372 -8.503 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -0.573 -9.526 -9.372 1.00 10.00 H new ATOM 593 N GLN A 55 -6.558 -2.118 -8.849 1.00 10.00 N ATOM 594 CA GLN A 55 -7.975 -2.268 -8.538 1.00 10.00 C ATOM 595 C GLN A 55 -8.849 -1.652 -9.632 1.00 10.00 C ATOM 596 O GLN A 55 -10.076 -1.763 -9.594 1.00 10.00 O ATOM 597 CB GLN A 55 -8.294 -1.624 -7.186 1.00 10.00 C ATOM 598 CG GLN A 55 -7.499 -2.206 -6.026 1.00 10.00 C ATOM 599 CD GLN A 55 -7.819 -3.667 -5.766 1.00 10.00 C ATOM 600 OE1 GLN A 55 -7.203 -4.565 -6.342 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.776 -3.914 -4.889 1.00 10.00 N ATOM 0 H GLN A 55 -6.141 -1.250 -8.511 1.00 10.00 H new ATOM 0 HA GLN A 55 -8.196 -3.334 -8.486 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.097 -0.554 -7.248 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.358 -1.741 -6.980 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.434 -2.104 -6.234 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.704 -1.628 -5.125 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.262 -3.142 -4.434 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -9.028 -4.877 -4.667 1.00 10.00 H new ATOM 610 N GLY A 56 -8.205 -1.016 -10.607 1.00 10.00 N ATOM 611 CA GLY A 56 -8.932 -0.391 -11.701 1.00 10.00 C ATOM 612 C GLY A 56 -9.741 0.802 -11.237 1.00 10.00 C ATOM 613 O GLY A 56 -10.867 1.014 -11.690 1.00 10.00 O ATOM 0 H GLY A 56 -7.191 -0.922 -10.660 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.227 -0.074 -12.470 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.596 -1.123 -12.160 1.00 10.00 H new ATOM 617 N VAL A 57 -9.167 1.576 -10.329 1.00 10.00 N ATOM 618 CA VAL A 57 -9.833 2.750 -9.785 1.00 10.00 C ATOM 619 C VAL A 57 -8.902 3.959 -9.820 1.00 10.00 C ATOM 620 O VAL A 57 -7.681 3.807 -9.892 1.00 10.00 O ATOM 621 CB VAL A 57 -10.296 2.511 -8.327 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.395 1.461 -8.271 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.125 2.104 -7.445 1.00 10.00 C ATOM 0 H VAL A 57 -8.234 1.411 -9.951 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.708 2.942 -10.406 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.700 3.449 -7.947 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.703 1.311 -7.236 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.249 1.797 -8.859 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.021 0.521 -8.678 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.476 1.942 -6.426 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.684 1.184 -7.828 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.375 2.895 -7.449 1.00 10.00 H new ATOM 633 N PRO A 58 -9.463 5.177 -9.812 1.00 10.00 N ATOM 634 CA PRO A 58 -8.665 6.405 -9.806 1.00 10.00 C ATOM 635 C PRO A 58 -7.965 6.594 -8.464 1.00 10.00 C ATOM 636 O PRO A 58 -8.308 5.936 -7.484 1.00 10.00 O ATOM 637 CB PRO A 58 -9.701 7.509 -10.039 1.00 10.00 C ATOM 638 CG PRO A 58 -10.988 6.935 -9.561 1.00 10.00 C ATOM 639 CD PRO A 58 -10.913 5.457 -9.829 1.00 10.00 C ATOM 0 HA PRO A 58 -7.874 6.399 -10.556 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.444 8.414 -9.489 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.757 7.782 -11.093 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.131 7.131 -8.498 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.833 7.383 -10.084 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.442 4.884 -9.067 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.360 5.200 -10.789 1.00 10.00 H new ATOM 647 N MET A 59 -6.991 7.483 -8.414 1.00 10.00 N ATOM 648 CA MET A 59 -6.264 7.732 -7.176 1.00 10.00 C ATOM 649 C MET A 59 -7.151 8.472 -6.175 1.00 10.00 C ATOM 650 O MET A 59 -8.121 9.128 -6.563 1.00 10.00 O ATOM 651 CB MET A 59 -4.995 8.540 -7.455 1.00 10.00 C ATOM 652 CG MET A 59 -3.989 8.504 -6.315 1.00 10.00 C ATOM 653 SD MET A 59 -2.656 9.696 -6.519 1.00 10.00 S ATOM 654 CE MET A 59 -1.680 9.350 -5.059 1.00 10.00 C ATOM 0 H MET A 59 -6.684 8.043 -9.209 1.00 10.00 H new ATOM 0 HA MET A 59 -5.979 6.772 -6.746 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.521 8.157 -8.359 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.270 9.576 -7.654 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.505 8.701 -5.375 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.566 7.502 -6.242 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.939 10.138 -4.921 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.332 9.309 -4.187 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.173 8.392 -5.179 1.00 10.00 H new ATOM 664 N ASN A 60 -6.821 8.337 -4.888 1.00 10.00 N ATOM 665 CA ASN A 60 -7.558 8.988 -3.796 1.00 10.00 C ATOM 666 C ASN A 60 -8.942 8.362 -3.610 1.00 10.00 C ATOM 667 O ASN A 60 -9.837 8.955 -3.012 1.00 10.00 O ATOM 668 CB ASN A 60 -7.674 10.504 -4.038 1.00 10.00 C ATOM 669 CG ASN A 60 -7.947 11.287 -2.766 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.036 11.557 -1.985 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.199 11.661 -2.550 1.00 10.00 N ATOM 0 H ASN A 60 -6.033 7.772 -4.571 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.994 8.831 -2.877 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.751 10.866 -4.490 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.475 10.692 -4.753 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.435 12.192 -1.712 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -9.927 11.418 -3.222 1.00 10.00 H new ATOM 678 N SER A 61 -9.110 7.154 -4.119 1.00 10.00 N ATOM 679 CA SER A 61 -10.376 6.452 -3.994 1.00 10.00 C ATOM 680 C SER A 61 -10.374 5.590 -2.741 1.00 10.00 C ATOM 681 O SER A 61 -11.381 5.481 -2.038 1.00 10.00 O ATOM 682 CB SER A 61 -10.609 5.579 -5.225 1.00 10.00 C ATOM 683 OG SER A 61 -9.469 4.783 -5.497 1.00 10.00 O ATOM 0 H SER A 61 -8.387 6.639 -4.622 1.00 10.00 H new ATOM 0 HA SER A 61 -11.180 7.184 -3.918 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.476 4.938 -5.064 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.833 6.208 -6.086 1.00 10.00 H new ATOM 0 HG SER A 61 -8.812 5.312 -5.995 1.00 10.00 H new ATOM 689 N LEU A 62 -9.227 4.991 -2.467 1.00 10.00 N ATOM 690 CA LEU A 62 -9.067 4.123 -1.317 1.00 10.00 C ATOM 691 C LEU A 62 -7.996 4.667 -0.376 1.00 10.00 C ATOM 692 O LEU A 62 -7.062 5.352 -0.803 1.00 10.00 O ATOM 693 CB LEU A 62 -8.695 2.711 -1.780 1.00 10.00 C ATOM 694 CG LEU A 62 -9.663 2.083 -2.789 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.979 0.973 -3.569 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.898 1.544 -2.084 1.00 10.00 C ATOM 0 H LEU A 62 -8.385 5.093 -3.034 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.012 4.085 -0.775 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.700 2.741 -2.224 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.634 2.063 -0.906 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.973 2.859 -3.489 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.683 0.540 -4.280 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -8.124 1.381 -4.108 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.639 0.200 -2.880 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.572 1.103 -2.818 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.602 0.785 -1.360 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.407 2.358 -1.568 1.00 10.00 H new ATOM 708 N ARG A 63 -8.148 4.363 0.902 1.00 10.00 N ATOM 709 CA ARG A 63 -7.209 4.804 1.920 1.00 10.00 C ATOM 710 C ARG A 63 -6.532 3.605 2.569 1.00 10.00 C ATOM 711 O ARG A 63 -7.168 2.573 2.805 1.00 10.00 O ATOM 712 CB ARG A 63 -7.919 5.644 2.987 1.00 10.00 C ATOM 713 CG ARG A 63 -9.127 4.957 3.603 1.00 10.00 C ATOM 714 CD ARG A 63 -9.685 5.753 4.772 1.00 10.00 C ATOM 715 NE ARG A 63 -10.989 5.250 5.200 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.143 5.877 4.969 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.163 7.028 4.303 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.283 5.344 5.393 1.00 10.00 N ATOM 0 H ARG A 63 -8.923 3.806 1.262 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.452 5.423 1.439 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.209 5.887 3.777 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.236 6.587 2.542 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -9.900 4.831 2.845 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.846 3.960 3.942 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -8.987 5.709 5.608 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -9.776 6.801 4.487 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.018 4.365 5.706 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.292 7.437 3.965 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.050 7.502 4.130 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.275 4.456 5.895 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.166 5.823 5.217 1.00 10.00 H new ATOM 732 N PHE A 64 -5.246 3.745 2.848 1.00 10.00 N ATOM 733 CA PHE A 64 -4.474 2.682 3.470 1.00 10.00 C ATOM 734 C PHE A 64 -4.344 2.949 4.960 1.00 10.00 C ATOM 735 O PHE A 64 -3.832 3.993 5.368 1.00 10.00 O ATOM 736 CB PHE A 64 -3.091 2.577 2.824 1.00 10.00 C ATOM 737 CG PHE A 64 -3.142 2.374 1.339 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.052 3.454 0.475 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.286 1.102 0.807 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.104 3.271 -0.891 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.338 0.913 -0.560 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.246 2.000 -1.409 1.00 10.00 C ATOM 0 H PHE A 64 -4.712 4.591 2.652 1.00 10.00 H new ATOM 0 HA PHE A 64 -4.992 1.734 3.322 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.527 3.484 3.040 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.548 1.748 3.278 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -2.940 4.450 0.876 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.358 0.251 1.468 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.034 4.121 -1.554 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.450 -0.082 -0.965 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.285 1.854 -2.478 1.00 10.00 H new ATOM 752 N LEU A 65 -4.803 2.008 5.765 1.00 10.00 N ATOM 753 CA LEU A 65 -4.760 2.162 7.206 1.00 10.00 C ATOM 754 C LEU A 65 -3.716 1.249 7.830 1.00 10.00 C ATOM 755 O LEU A 65 -3.687 0.042 7.572 1.00 10.00 O ATOM 756 CB LEU A 65 -6.134 1.874 7.816 1.00 10.00 C ATOM 757 CG LEU A 65 -7.264 2.793 7.342 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.577 2.405 8.000 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.933 4.248 7.638 1.00 10.00 C ATOM 0 H LEU A 65 -5.210 1.129 5.444 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.482 3.194 7.420 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.406 0.843 7.588 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.056 1.951 8.900 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.369 2.677 6.263 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.369 3.068 7.652 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.825 1.376 7.739 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.481 2.492 9.082 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.748 4.884 7.293 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.799 4.380 8.712 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.014 4.524 7.121 1.00 10.00 H new ATOM 771 N PHE A 66 -2.851 1.850 8.631 1.00 10.00 N ATOM 772 CA PHE A 66 -1.808 1.129 9.334 1.00 10.00 C ATOM 773 C PHE A 66 -1.724 1.651 10.761 1.00 10.00 C ATOM 774 O PHE A 66 -1.415 2.825 10.977 1.00 10.00 O ATOM 775 CB PHE A 66 -0.456 1.285 8.627 1.00 10.00 C ATOM 776 CG PHE A 66 0.690 0.657 9.372 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.620 -0.659 9.796 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.834 1.385 9.656 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.668 -1.236 10.488 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.885 0.813 10.344 1.00 10.00 C ATOM 781 CZ PHE A 66 2.800 -0.497 10.763 1.00 10.00 C ATOM 0 H PHE A 66 -2.854 2.854 8.811 1.00 10.00 H new ATOM 0 HA PHE A 66 -2.053 0.067 9.343 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.521 0.839 7.635 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.249 2.346 8.487 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -0.264 -1.242 9.583 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.904 2.414 9.335 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.601 -2.264 10.813 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.773 1.391 10.554 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.619 -0.945 11.306 1.00 10.00 H new ATOM 791 N GLU A 67 -2.042 0.788 11.724 1.00 10.00 N ATOM 792 CA GLU A 67 -2.013 1.151 13.142 1.00 10.00 C ATOM 793 C GLU A 67 -3.053 2.226 13.449 1.00 10.00 C ATOM 794 O GLU A 67 -2.959 2.931 14.457 1.00 10.00 O ATOM 795 CB GLU A 67 -0.614 1.632 13.547 1.00 10.00 C ATOM 796 CG GLU A 67 0.392 0.505 13.709 1.00 10.00 C ATOM 797 CD GLU A 67 0.197 -0.260 14.999 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.841 -0.944 15.146 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.080 -0.183 15.876 1.00 10.00 O ATOM 0 H GLU A 67 -2.325 -0.176 11.547 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.257 0.262 13.724 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.247 2.330 12.795 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.685 2.182 14.485 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.304 -0.181 12.866 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.401 0.916 13.682 1.00 10.00 H new ATOM 806 N GLY A 68 -4.049 2.336 12.580 1.00 10.00 N ATOM 807 CA GLY A 68 -5.093 3.325 12.760 1.00 10.00 C ATOM 808 C GLY A 68 -4.799 4.606 12.007 1.00 10.00 C ATOM 809 O GLY A 68 -5.679 5.453 11.831 1.00 10.00 O ATOM 0 H GLY A 68 -4.152 1.754 11.749 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -6.044 2.914 12.419 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.204 3.546 13.822 1.00 10.00 H new ATOM 813 N GLN A 69 -3.562 4.746 11.555 1.00 10.00 N ATOM 814 CA GLN A 69 -3.145 5.927 10.822 1.00 10.00 C ATOM 815 C GLN A 69 -3.295 5.699 9.326 1.00 10.00 C ATOM 816 O GLN A 69 -3.127 4.579 8.842 1.00 10.00 O ATOM 817 CB GLN A 69 -1.692 6.277 11.149 1.00 10.00 C ATOM 818 CG GLN A 69 -1.423 6.418 12.636 1.00 10.00 C ATOM 819 CD GLN A 69 -0.715 7.709 12.980 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.057 8.241 12.182 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.979 8.226 14.167 1.00 10.00 N ATOM 0 H GLN A 69 -2.827 4.051 11.685 1.00 10.00 H new ATOM 0 HA GLN A 69 -3.783 6.759 11.122 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.040 5.504 10.742 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.430 7.210 10.650 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.367 6.370 13.178 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -0.819 5.576 12.973 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.625 7.752 14.798 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -0.536 9.099 14.453 1.00 10.00 H new ATOM 830 N ARG A 70 -3.622 6.755 8.604 1.00 10.00 N ATOM 831 CA ARG A 70 -3.785 6.663 7.165 1.00 10.00 C ATOM 832 C ARG A 70 -2.496 7.076 6.466 1.00 10.00 C ATOM 833 O ARG A 70 -1.972 8.171 6.695 1.00 10.00 O ATOM 834 CB ARG A 70 -4.963 7.521 6.692 1.00 10.00 C ATOM 835 CG ARG A 70 -5.113 8.837 7.441 1.00 10.00 C ATOM 836 CD ARG A 70 -6.296 9.638 6.927 1.00 10.00 C ATOM 837 NE ARG A 70 -6.191 9.910 5.493 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.151 9.645 4.605 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.294 9.088 4.991 1.00 10.00 N ATOM 840 NH2 ARG A 70 -6.965 9.935 3.323 1.00 10.00 N ATOM 0 H ARG A 70 -3.780 7.686 8.990 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.005 5.627 6.906 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.842 7.732 5.629 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.883 6.947 6.800 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -5.241 8.639 8.505 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -4.201 9.424 7.334 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.218 9.092 7.126 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.360 10.580 7.471 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.327 10.330 5.150 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.444 8.859 5.974 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.022 8.889 4.305 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.089 10.360 3.018 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -7.698 9.733 2.643 1.00 10.00 H new ATOM 854 N ILE A 71 -1.991 6.186 5.623 1.00 10.00 N ATOM 855 CA ILE A 71 -0.752 6.421 4.891 1.00 10.00 C ATOM 856 C ILE A 71 -0.841 7.670 4.018 1.00 10.00 C ATOM 857 O ILE A 71 -1.726 7.790 3.159 1.00 10.00 O ATOM 858 CB ILE A 71 -0.383 5.207 4.010 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.282 3.933 4.860 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.925 5.459 3.272 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.753 4.011 5.965 1.00 10.00 C ATOM 0 H ILE A 71 -2.426 5.284 5.427 1.00 10.00 H new ATOM 0 HA ILE A 71 0.028 6.571 5.637 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.174 5.067 3.273 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.256 3.725 5.302 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.042 3.092 4.209 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.168 4.593 2.657 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.820 6.338 2.636 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.724 5.627 3.994 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.764 3.073 6.520 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.737 4.187 5.530 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.503 4.829 6.640 1.00 10.00 H new ATOM 873 N ALA A 72 0.081 8.593 4.249 1.00 10.00 N ATOM 874 CA ALA A 72 0.131 9.834 3.498 1.00 10.00 C ATOM 875 C ALA A 72 0.932 9.648 2.216 1.00 10.00 C ATOM 876 O ALA A 72 1.668 8.672 2.067 1.00 10.00 O ATOM 877 CB ALA A 72 0.732 10.945 4.345 1.00 10.00 C ATOM 0 H ALA A 72 0.809 8.502 4.957 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.887 10.117 3.231 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.762 11.868 3.766 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.121 11.095 5.235 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.744 10.670 4.641 1.00 10.00 H new ATOM 883 N ASP A 73 0.794 10.598 1.306 1.00 10.00 N ATOM 884 CA ASP A 73 1.485 10.550 0.021 1.00 10.00 C ATOM 885 C ASP A 73 2.964 10.870 0.178 1.00 10.00 C ATOM 886 O ASP A 73 3.785 10.476 -0.650 1.00 10.00 O ATOM 887 CB ASP A 73 0.851 11.543 -0.954 1.00 10.00 C ATOM 888 CG ASP A 73 -0.529 11.121 -1.406 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.352 10.749 -0.546 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.802 11.165 -2.621 1.00 10.00 O ATOM 0 H ASP A 73 0.205 11.421 1.432 1.00 10.00 H new ATOM 0 HA ASP A 73 1.389 9.538 -0.371 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.789 12.522 -0.479 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.496 11.652 -1.826 1.00 10.00 H new ATOM 895 N ASN A 74 3.297 11.573 1.247 1.00 10.00 N ATOM 896 CA ASN A 74 4.677 11.967 1.506 1.00 10.00 C ATOM 897 C ASN A 74 5.324 11.085 2.573 1.00 10.00 C ATOM 898 O ASN A 74 6.371 11.431 3.123 1.00 10.00 O ATOM 899 CB ASN A 74 4.735 13.440 1.934 1.00 10.00 C ATOM 900 CG ASN A 74 3.967 13.718 3.217 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.746 13.887 3.200 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.677 13.781 4.334 1.00 10.00 N ATOM 0 H ASN A 74 2.630 11.885 1.953 1.00 10.00 H new ATOM 0 HA ASN A 74 5.238 11.837 0.581 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.776 13.732 2.070 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.332 14.061 1.134 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.214 13.975 5.222 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.686 13.635 4.306 1.00 10.00 H new ATOM 909 N HIS A 75 4.711 9.946 2.855 1.00 10.00 N ATOM 910 CA HIS A 75 5.239 9.027 3.857 1.00 10.00 C ATOM 911 C HIS A 75 6.289 8.102 3.246 1.00 10.00 C ATOM 912 O HIS A 75 6.375 7.960 2.024 1.00 10.00 O ATOM 913 CB HIS A 75 4.107 8.195 4.474 1.00 10.00 C ATOM 914 CG HIS A 75 3.483 8.810 5.691 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.316 8.310 6.229 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.899 9.859 6.442 1.00 10.00 C ATOM 917 CE1 HIS A 75 2.055 9.059 7.288 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.986 10.006 7.453 1.00 10.00 N ATOM 0 H HIS A 75 3.849 9.634 2.407 1.00 10.00 H new ATOM 0 HA HIS A 75 5.711 9.620 4.641 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.333 8.041 3.722 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.496 7.211 4.737 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.779 10.462 6.276 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.201 8.924 7.935 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.011 10.707 8.194 1.00 10.00 H new ATOM 926 N THR A 76 7.093 7.491 4.104 1.00 10.00 N ATOM 927 CA THR A 76 8.133 6.569 3.672 1.00 10.00 C ATOM 928 C THR A 76 7.917 5.194 4.308 1.00 10.00 C ATOM 929 O THR A 76 7.337 5.097 5.388 1.00 10.00 O ATOM 930 CB THR A 76 9.535 7.094 4.043 1.00 10.00 C ATOM 931 OG1 THR A 76 9.527 7.634 5.371 1.00 10.00 O ATOM 932 CG2 THR A 76 9.992 8.162 3.061 1.00 10.00 C ATOM 0 H THR A 76 7.043 7.620 5.115 1.00 10.00 H new ATOM 0 HA THR A 76 8.072 6.483 2.587 1.00 10.00 H new ATOM 0 HB THR A 76 10.231 6.257 3.997 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.799 8.285 5.455 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.983 8.516 3.344 1.00 10.00 H new ATOM 0 HG22 THR A 76 10.031 7.740 2.057 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.290 8.996 3.078 1.00 10.00 H new ATOM 940 N PRO A 77 8.373 4.111 3.655 1.00 10.00 N ATOM 941 CA PRO A 77 8.211 2.744 4.172 1.00 10.00 C ATOM 942 C PRO A 77 9.110 2.443 5.372 1.00 10.00 C ATOM 943 O PRO A 77 9.002 1.380 5.985 1.00 10.00 O ATOM 944 CB PRO A 77 8.602 1.851 2.981 1.00 10.00 C ATOM 945 CG PRO A 77 8.716 2.764 1.805 1.00 10.00 C ATOM 946 CD PRO A 77 9.059 4.114 2.358 1.00 10.00 C ATOM 0 HA PRO A 77 7.196 2.581 4.535 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.545 1.338 3.170 1.00 10.00 H new ATOM 0 HB3 PRO A 77 7.850 1.081 2.807 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.487 2.418 1.116 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.781 2.798 1.246 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.135 4.245 2.469 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.704 4.918 1.713 1.00 10.00 H new ATOM 954 N LYS A 78 10.005 3.366 5.698 1.00 10.00 N ATOM 955 CA LYS A 78 10.912 3.175 6.823 1.00 10.00 C ATOM 956 C LYS A 78 10.321 3.730 8.120 1.00 10.00 C ATOM 957 O LYS A 78 10.673 3.282 9.210 1.00 10.00 O ATOM 958 CB LYS A 78 12.268 3.834 6.529 1.00 10.00 C ATOM 959 CG LYS A 78 13.287 3.701 7.656 1.00 10.00 C ATOM 960 CD LYS A 78 13.646 2.249 7.935 1.00 10.00 C ATOM 961 CE LYS A 78 14.619 1.699 6.904 1.00 10.00 C ATOM 962 NZ LYS A 78 15.042 0.310 7.223 1.00 10.00 N ATOM 0 H LYS A 78 10.123 4.250 5.203 1.00 10.00 H new ATOM 0 HA LYS A 78 11.058 2.103 6.957 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.685 3.392 5.624 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.108 4.892 6.323 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.190 4.253 7.395 1.00 10.00 H new ATOM 0 HG3 LYS A 78 12.886 4.155 8.562 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.086 2.168 8.929 1.00 10.00 H new ATOM 0 HD3 LYS A 78 12.739 1.644 7.937 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.153 1.719 5.919 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.497 2.343 6.854 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 15.705 -0.027 6.496 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.510 0.294 8.152 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 14.208 -0.311 7.245 1.00 10.00 H new ATOM 976 N GLU A 79 9.409 4.686 8.007 1.00 10.00 N ATOM 977 CA GLU A 79 8.804 5.289 9.190 1.00 10.00 C ATOM 978 C GLU A 79 7.570 4.513 9.639 1.00 10.00 C ATOM 979 O GLU A 79 7.191 3.523 9.007 1.00 10.00 O ATOM 980 CB GLU A 79 8.441 6.751 8.919 1.00 10.00 C ATOM 981 CG GLU A 79 7.291 6.930 7.944 1.00 10.00 C ATOM 982 CD GLU A 79 7.063 8.378 7.575 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.538 9.134 8.415 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.421 8.768 6.444 1.00 10.00 O ATOM 0 H GLU A 79 9.074 5.059 7.119 1.00 10.00 H new ATOM 0 HA GLU A 79 9.537 5.250 9.995 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.182 7.232 9.863 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.319 7.266 8.529 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.493 6.356 7.040 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.380 6.523 8.383 1.00 10.00 H new ATOM 991 N LEU A 80 6.975 4.965 10.746 1.00 10.00 N ATOM 992 CA LEU A 80 5.771 4.358 11.329 1.00 10.00 C ATOM 993 C LEU A 80 6.076 3.014 11.990 1.00 10.00 C ATOM 994 O LEU A 80 5.700 2.782 13.141 1.00 10.00 O ATOM 995 CB LEU A 80 4.658 4.212 10.284 1.00 10.00 C ATOM 996 CG LEU A 80 3.578 5.297 10.339 1.00 10.00 C ATOM 997 CD1 LEU A 80 2.813 5.365 9.026 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.622 5.039 11.495 1.00 10.00 C ATOM 0 H LEU A 80 7.317 5.771 11.270 1.00 10.00 H new ATOM 0 HA LEU A 80 5.417 5.034 12.107 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.108 4.217 9.291 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.183 3.240 10.413 1.00 10.00 H new ATOM 0 HG LEU A 80 4.069 6.257 10.500 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.051 6.142 9.088 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.503 5.597 8.215 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.336 4.404 8.833 1.00 10.00 H new ATOM 0 HD21 LEU A 80 1.861 5.819 11.519 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.143 4.069 11.361 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.176 5.044 12.434 1.00 10.00 H new ATOM 1010 N GLY A 81 6.758 2.136 11.270 1.00 10.00 N ATOM 1011 CA GLY A 81 7.108 0.841 11.815 1.00 10.00 C ATOM 1012 C GLY A 81 6.690 -0.295 10.910 1.00 10.00 C ATOM 1013 O GLY A 81 6.003 -1.217 11.344 1.00 10.00 O ATOM 0 H GLY A 81 7.076 2.298 10.315 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.185 0.796 11.976 1.00 10.00 H new ATOM 0 HA3 GLY A 81 6.634 0.719 12.789 1.00 10.00 H new ATOM 1017 N MET A 82 7.105 -0.231 9.652 1.00 10.00 N ATOM 1018 CA MET A 82 6.769 -1.268 8.685 1.00 10.00 C ATOM 1019 C MET A 82 7.853 -2.336 8.651 1.00 10.00 C ATOM 1020 O MET A 82 9.033 -2.045 8.869 1.00 10.00 O ATOM 1021 CB MET A 82 6.598 -0.670 7.288 1.00 10.00 C ATOM 1022 CG MET A 82 5.308 0.109 7.104 1.00 10.00 C ATOM 1023 SD MET A 82 5.126 0.751 5.429 1.00 10.00 S ATOM 1024 CE MET A 82 3.466 1.418 5.506 1.00 10.00 C ATOM 0 H MET A 82 7.675 0.528 9.277 1.00 10.00 H new ATOM 0 HA MET A 82 5.827 -1.722 8.994 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.441 -0.011 7.080 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.633 -1.474 6.553 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.461 -0.536 7.337 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.283 0.937 7.812 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.204 1.853 4.542 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.764 0.620 5.747 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.418 2.188 6.276 1.00 10.00 H new ATOM 1034 N GLU A 83 7.449 -3.567 8.377 1.00 10.00 N ATOM 1035 CA GLU A 83 8.374 -4.689 8.303 1.00 10.00 C ATOM 1036 C GLU A 83 7.835 -5.757 7.356 1.00 10.00 C ATOM 1037 O GLU A 83 6.718 -5.638 6.851 1.00 10.00 O ATOM 1038 CB GLU A 83 8.599 -5.287 9.694 1.00 10.00 C ATOM 1039 CG GLU A 83 9.995 -5.044 10.244 1.00 10.00 C ATOM 1040 CD GLU A 83 11.071 -5.758 9.451 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.766 -6.798 8.828 1.00 10.00 O ATOM 1042 OE2 GLU A 83 12.231 -5.289 9.454 1.00 10.00 O ATOM 0 H GLU A 83 6.476 -3.816 8.200 1.00 10.00 H new ATOM 0 HA GLU A 83 9.328 -4.326 7.919 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.868 -4.866 10.384 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.416 -6.361 9.652 1.00 10.00 H new ATOM 0 HG2 GLU A 83 10.200 -3.973 10.243 1.00 10.00 H new ATOM 0 HG3 GLU A 83 10.035 -5.375 11.282 1.00 10.00 H new ATOM 1049 N GLU A 84 8.628 -6.793 7.119 1.00 10.00 N ATOM 1050 CA GLU A 84 8.234 -7.883 6.233 1.00 10.00 C ATOM 1051 C GLU A 84 7.074 -8.672 6.841 1.00 10.00 C ATOM 1052 O GLU A 84 7.036 -8.895 8.055 1.00 10.00 O ATOM 1053 CB GLU A 84 9.437 -8.804 5.974 1.00 10.00 C ATOM 1054 CG GLU A 84 9.097 -10.094 5.237 1.00 10.00 C ATOM 1055 CD GLU A 84 8.746 -9.877 3.775 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.248 -8.906 3.172 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.975 -10.688 3.219 1.00 10.00 O ATOM 0 H GLU A 84 9.555 -6.903 7.531 1.00 10.00 H new ATOM 0 HA GLU A 84 7.900 -7.465 5.283 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.181 -8.255 5.396 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.898 -9.056 6.929 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.945 -10.776 5.302 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.258 -10.579 5.736 1.00 10.00 H new ATOM 1064 N GLU A 85 6.123 -9.057 5.986 1.00 10.00 N ATOM 1065 CA GLU A 85 4.947 -9.828 6.392 1.00 10.00 C ATOM 1066 C GLU A 85 4.022 -9.011 7.289 1.00 10.00 C ATOM 1067 O GLU A 85 3.245 -9.568 8.064 1.00 10.00 O ATOM 1068 CB GLU A 85 5.357 -11.126 7.096 1.00 10.00 C ATOM 1069 CG GLU A 85 5.795 -12.227 6.144 1.00 10.00 C ATOM 1070 CD GLU A 85 4.655 -12.752 5.299 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.600 -12.425 4.093 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.811 -13.502 5.834 1.00 10.00 O ATOM 0 H GLU A 85 6.148 -8.842 4.989 1.00 10.00 H new ATOM 0 HA GLU A 85 4.399 -10.082 5.484 1.00 10.00 H new ATOM 0 HB2 GLU A 85 6.171 -10.912 7.788 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.518 -11.486 7.692 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.581 -11.847 5.492 1.00 10.00 H new ATOM 0 HG3 GLU A 85 6.226 -13.048 6.717 1.00 10.00 H new ATOM 1079 N ASP A 86 4.102 -7.692 7.175 1.00 10.00 N ATOM 1080 CA ASP A 86 3.261 -6.810 7.972 1.00 10.00 C ATOM 1081 C ASP A 86 1.866 -6.737 7.362 1.00 10.00 C ATOM 1082 O ASP A 86 1.700 -6.923 6.156 1.00 10.00 O ATOM 1083 CB ASP A 86 3.880 -5.416 8.060 1.00 10.00 C ATOM 1084 CG ASP A 86 3.277 -4.572 9.164 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.491 -5.104 9.975 1.00 10.00 O ATOM 1086 OD2 ASP A 86 3.599 -3.371 9.230 1.00 10.00 O ATOM 0 H ASP A 86 4.739 -7.211 6.540 1.00 10.00 H new ATOM 0 HA ASP A 86 3.184 -7.212 8.982 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.953 -5.510 8.227 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.749 -4.905 7.106 1.00 10.00 H new ATOM 1091 N VAL A 87 0.870 -6.461 8.187 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.508 -6.397 7.726 1.00 10.00 C ATOM 1093 C VAL A 87 -0.992 -4.958 7.595 1.00 10.00 C ATOM 1094 O VAL A 87 -0.891 -4.164 8.535 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.452 -7.164 8.679 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.874 -7.183 8.137 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -0.948 -8.582 8.905 1.00 10.00 C ATOM 0 H VAL A 87 0.990 -6.277 9.183 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.530 -6.866 6.742 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.461 -6.644 9.637 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.519 -7.729 8.826 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.237 -6.161 8.033 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.886 -7.673 7.164 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.626 -9.106 9.579 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.904 -9.109 7.952 1.00 10.00 H new ATOM 0 HG23 VAL A 87 0.048 -8.548 9.347 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.511 -4.631 6.421 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.040 -3.302 6.154 1.00 10.00 C ATOM 1109 C ILE A 88 -3.458 -3.427 5.594 1.00 10.00 C ATOM 1110 O ILE A 88 -3.760 -4.362 4.847 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.127 -2.506 5.184 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.581 -1.044 5.088 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.099 -3.151 3.807 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.582 -0.141 4.396 1.00 10.00 C ATOM 0 H ILE A 88 -1.577 -5.274 5.632 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.069 -2.744 7.090 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.114 -2.525 5.585 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.529 -1.002 4.551 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.766 -0.664 6.092 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.452 -2.573 3.147 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.717 -4.169 3.890 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.108 -3.175 3.396 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -0.971 0.877 4.366 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.360 -0.153 4.944 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.414 -0.496 3.379 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.336 -2.513 5.976 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.719 -2.560 5.523 1.00 10.00 C ATOM 1128 C GLU A 89 -6.026 -1.415 4.566 1.00 10.00 C ATOM 1129 O GLU A 89 -5.346 -0.388 4.574 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.663 -2.512 6.722 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.423 -3.637 7.716 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.188 -3.444 9.005 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.099 -4.251 9.285 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -6.881 -2.487 9.743 1.00 10.00 O ATOM 0 H GLU A 89 -4.118 -1.733 6.596 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.868 -3.496 4.985 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.546 -1.555 7.231 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.693 -2.561 6.368 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.713 -4.585 7.264 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.357 -3.702 7.936 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.051 -1.598 3.748 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.449 -0.589 2.781 1.00 10.00 C ATOM 1143 C VAL A 90 -8.974 -0.469 2.721 1.00 10.00 C ATOM 1144 O VAL A 90 -9.687 -1.473 2.686 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.881 -0.910 1.376 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.293 -2.305 0.926 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.319 0.135 0.358 1.00 10.00 C ATOM 0 H VAL A 90 -7.625 -2.441 3.736 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.036 0.366 3.107 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.793 -0.883 1.443 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.881 -2.505 -0.063 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.913 -3.042 1.633 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.380 -2.368 0.886 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.907 -0.114 -0.620 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.407 0.152 0.299 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.957 1.116 0.665 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.462 0.764 2.738 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.897 1.031 2.690 1.00 10.00 C ATOM 1159 C TYR A 91 -11.189 2.147 1.694 1.00 10.00 C ATOM 1160 O TYR A 91 -10.275 2.836 1.255 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.413 1.418 4.079 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.496 0.251 5.038 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.615 -0.568 5.060 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.455 -0.035 5.914 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.698 -1.639 5.928 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.531 -1.106 6.784 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.654 -1.903 6.786 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.736 -2.967 7.653 1.00 10.00 O ATOM 0 H TYR A 91 -8.882 1.602 2.785 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.410 0.125 2.367 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -10.758 2.180 4.502 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.401 1.867 3.979 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.435 -0.365 4.387 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.574 0.589 5.915 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -13.577 -2.266 5.934 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.714 -1.317 7.459 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.917 -3.016 8.189 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.455 2.330 1.341 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.830 3.370 0.389 1.00 10.00 C ATOM 1180 C GLN A 92 -13.001 4.708 1.095 1.00 10.00 C ATOM 1181 O GLN A 92 -13.550 4.775 2.194 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.122 3.003 -0.349 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.365 3.841 -1.597 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.838 4.086 -1.868 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.495 3.307 -2.562 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.364 5.175 -1.331 1.00 10.00 N ATOM 0 H GLN A 92 -13.235 1.777 1.696 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.026 3.455 -0.342 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.085 1.950 -0.629 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -14.966 3.123 0.330 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -13.857 4.799 -1.489 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.921 3.339 -2.457 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -15.786 5.794 -0.763 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.348 5.396 -1.485 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.529 5.767 0.454 1.00 10.00 N ATOM 1196 CA GLU A 93 -12.625 7.110 1.003 1.00 10.00 C ATOM 1197 C GLU A 93 -14.030 7.670 0.819 1.00 10.00 C ATOM 1198 O GLU A 93 -14.787 7.206 -0.037 1.00 10.00 O ATOM 1199 CB GLU A 93 -11.610 8.027 0.320 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.175 7.764 0.740 1.00 10.00 C ATOM 1201 CD GLU A 93 -9.730 8.660 1.877 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -10.146 8.422 3.033 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -8.958 9.608 1.624 1.00 10.00 O ATOM 0 H GLU A 93 -12.071 5.720 -0.456 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.408 7.061 2.070 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.692 7.905 -0.760 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -11.861 9.064 0.544 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.073 6.722 1.042 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -9.516 7.914 -0.115 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.366 8.673 1.622 1.00 10.00 N ATOM 1211 CA GLN A 94 -15.670 9.322 1.556 1.00 10.00 C ATOM 1212 C GLN A 94 -15.803 10.087 0.246 1.00 10.00 C ATOM 1213 O GLN A 94 -16.892 10.215 -0.314 1.00 10.00 O ATOM 1214 CB GLN A 94 -15.830 10.269 2.751 1.00 10.00 C ATOM 1215 CG GLN A 94 -16.947 11.291 2.607 1.00 10.00 C ATOM 1216 CD GLN A 94 -16.940 12.313 3.728 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -15.888 12.640 4.282 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -18.109 12.830 4.068 1.00 10.00 N ATOM 0 H GLN A 94 -13.745 9.058 2.334 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.456 8.567 1.596 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.013 9.675 3.646 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -14.890 10.798 2.906 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -16.846 11.804 1.650 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -17.908 10.776 2.593 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -18.957 12.534 3.586 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -18.162 13.525 4.813 1.00 10.00 H new ATOM 1227 N THR A 95 -14.671 10.573 -0.238 1.00 10.00 N ATOM 1228 CA THR A 95 -14.614 11.329 -1.477 1.00 10.00 C ATOM 1229 C THR A 95 -14.903 10.445 -2.689 1.00 10.00 C ATOM 1230 O THR A 95 -15.363 10.925 -3.724 1.00 10.00 O ATOM 1231 CB THR A 95 -13.225 11.963 -1.630 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.513 11.825 -0.389 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.328 13.436 -2.001 1.00 10.00 C ATOM 0 H THR A 95 -13.766 10.454 0.218 1.00 10.00 H new ATOM 0 HA THR A 95 -15.379 12.104 -1.432 1.00 10.00 H new ATOM 0 HB THR A 95 -12.693 11.452 -2.432 1.00 10.00 H new ATOM 0 HG1 THR A 95 -11.623 12.226 -0.476 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.327 13.857 -2.102 1.00 10.00 H new ATOM 0 HG22 THR A 95 -13.861 13.537 -2.946 1.00 10.00 H new ATOM 0 HG23 THR A 95 -13.869 13.971 -1.220 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.622 9.154 -2.559 1.00 10.00 N ATOM 1242 CA GLY A 96 -14.865 8.224 -3.649 1.00 10.00 C ATOM 1243 C GLY A 96 -13.715 8.168 -4.636 1.00 10.00 C ATOM 1244 O GLY A 96 -13.346 7.090 -5.108 1.00 10.00 O ATOM 0 H GLY A 96 -14.229 8.733 -1.717 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.037 7.228 -3.240 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.775 8.515 -4.174 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.151 9.325 -4.952 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.043 9.388 -5.886 1.00 10.00 C ATOM 1250 C GLY A 97 -11.229 10.656 -5.719 1.00 10.00 C ATOM 1251 O GLY A 97 -11.227 11.259 -4.642 1.00 10.00 O ATOM 0 H GLY A 97 -13.443 10.227 -4.576 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.398 8.522 -5.741 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.425 9.334 -6.905 1.00 10.00 H new ATOM 1256 N ASP B 195 -7.538 -20.340 -2.898 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.541 -18.882 -2.848 1.00 10.00 C ATOM 1258 C ASP B 195 -6.562 -18.317 -3.872 1.00 10.00 C ATOM 1259 O ASP B 195 -5.752 -19.059 -4.438 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.182 -18.392 -1.443 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.302 -17.589 -0.814 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -9.196 -18.193 -0.180 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.298 -16.350 -0.949 1.00 10.00 O ATOM 0 HA ASP B 195 -8.544 -18.530 -3.090 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.951 -19.248 -0.809 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.282 -17.780 -1.493 1.00 10.00 H new ATOM 1268 N THR B 196 -6.625 -17.020 -4.120 1.00 10.00 N ATOM 1269 CA THR B 196 -5.733 -16.415 -5.085 1.00 10.00 C ATOM 1270 C THR B 196 -4.853 -15.367 -4.425 1.00 10.00 C ATOM 1271 O THR B 196 -5.334 -14.492 -3.717 1.00 10.00 O ATOM 1272 CB THR B 196 -6.502 -15.766 -6.250 1.00 10.00 C ATOM 1273 OG1 THR B 196 -7.675 -16.533 -6.539 1.00 10.00 O ATOM 1274 CG2 THR B 196 -5.626 -15.684 -7.492 1.00 10.00 C ATOM 0 H THR B 196 -7.276 -16.376 -3.672 1.00 10.00 H new ATOM 0 HA THR B 196 -5.112 -17.217 -5.484 1.00 10.00 H new ATOM 0 HB THR B 196 -6.788 -14.755 -5.958 1.00 10.00 H new ATOM 0 HG1 THR B 196 -8.164 -16.117 -7.280 1.00 10.00 H new ATOM 0 HG21 THR B 196 -6.188 -15.222 -8.304 1.00 10.00 H new ATOM 0 HG22 THR B 196 -4.742 -15.084 -7.275 1.00 10.00 H new ATOM 0 HG23 THR B 196 -5.319 -16.687 -7.788 1.00 10.00 H new ATOM 1282 N ALA B 197 -3.560 -15.467 -4.658 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.621 -14.520 -4.097 1.00 10.00 C ATOM 1284 C ALA B 197 -1.907 -13.802 -5.223 1.00 10.00 C ATOM 1285 O ALA B 197 -1.388 -14.430 -6.145 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.626 -15.218 -3.182 1.00 10.00 C ATOM 0 H ALA B 197 -3.136 -16.195 -5.233 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.164 -13.792 -3.494 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -0.931 -14.484 -2.773 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.161 -15.705 -2.367 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.072 -15.965 -3.750 1.00 10.00 H new ATOM 1292 N GLY B 198 -1.902 -12.486 -5.150 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.275 -11.679 -6.176 1.00 10.00 C ATOM 1294 C GLY B 198 -0.171 -10.826 -5.614 1.00 10.00 C ATOM 1295 O GLY B 198 -0.345 -10.196 -4.573 1.00 10.00 O ATOM 0 H GLY B 198 -2.325 -11.953 -4.390 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -0.874 -12.328 -6.955 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.024 -11.042 -6.646 1.00 10.00 H new ATOM 1299 N CYS B 199 0.965 -10.816 -6.289 1.00 10.00 N ATOM 1300 CA CYS B 199 2.102 -10.038 -5.829 1.00 10.00 C ATOM 1301 C CYS B 199 2.433 -8.932 -6.825 1.00 10.00 C ATOM 1302 O CYS B 199 2.536 -9.167 -8.028 1.00 10.00 O ATOM 1303 CB CYS B 199 3.313 -10.950 -5.630 1.00 10.00 C ATOM 1304 SG CYS B 199 2.948 -12.481 -4.737 1.00 10.00 S ATOM 0 H CYS B 199 1.125 -11.335 -7.153 1.00 10.00 H new ATOM 0 HA CYS B 199 1.845 -9.576 -4.876 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.729 -11.202 -6.606 1.00 10.00 H new ATOM 0 HB3 CYS B 199 4.083 -10.401 -5.088 1.00 10.00 H new ATOM 0 HG CYS B 199 4.035 -13.185 -4.621 1.00 10.00 H new ATOM 1310 N ILE B 200 2.558 -7.725 -6.304 1.00 10.00 N ATOM 1311 CA ILE B 200 2.867 -6.556 -7.112 1.00 10.00 C ATOM 1312 C ILE B 200 4.175 -5.911 -6.653 1.00 10.00 C ATOM 1313 O ILE B 200 4.393 -5.715 -5.457 1.00 10.00 O ATOM 1314 CB ILE B 200 1.705 -5.533 -7.070 1.00 10.00 C ATOM 1315 CG1 ILE B 200 2.116 -4.183 -7.664 1.00 10.00 C ATOM 1316 CG2 ILE B 200 1.196 -5.358 -5.648 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.955 -3.221 -7.807 1.00 10.00 C ATOM 0 H ILE B 200 2.449 -7.526 -5.310 1.00 10.00 H new ATOM 0 HA ILE B 200 2.992 -6.882 -8.145 1.00 10.00 H new ATOM 0 HB ILE B 200 0.897 -5.930 -7.684 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.879 -3.731 -7.031 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.569 -4.345 -8.642 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.380 -4.635 -5.640 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.837 -6.315 -5.270 1.00 10.00 H new ATOM 0 HG23 ILE B 200 2.006 -4.998 -5.013 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.310 -2.283 -8.233 1.00 10.00 H new ATOM 0 HD12 ILE B 200 0.201 -3.655 -8.464 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.517 -3.031 -6.827 1.00 10.00 H new ATOM 1329 N VAL B 201 5.044 -5.598 -7.609 1.00 10.00 N ATOM 1330 CA VAL B 201 6.332 -4.992 -7.307 1.00 10.00 C ATOM 1331 C VAL B 201 6.413 -3.604 -7.932 1.00 10.00 C ATOM 1332 O VAL B 201 6.033 -3.388 -9.089 1.00 10.00 O ATOM 1333 CB VAL B 201 7.526 -5.864 -7.784 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.767 -5.701 -9.278 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.791 -5.533 -6.996 1.00 10.00 C ATOM 0 H VAL B 201 4.877 -5.756 -8.603 1.00 10.00 H new ATOM 0 HA VAL B 201 6.406 -4.913 -6.222 1.00 10.00 H new ATOM 0 HB VAL B 201 7.269 -6.907 -7.597 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.609 -6.324 -9.581 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.875 -6.005 -9.826 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.990 -4.657 -9.499 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.613 -6.156 -7.348 1.00 10.00 H new ATOM 0 HG22 VAL B 201 9.045 -4.483 -7.140 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.620 -5.723 -5.936 1.00 10.00 H new ATOM 1345 N ILE B 202 6.844 -2.655 -7.134 1.00 10.00 N ATOM 1346 CA ILE B 202 6.953 -1.279 -7.567 1.00 10.00 C ATOM 1347 C ILE B 202 8.382 -0.748 -7.441 1.00 10.00 C ATOM 1348 O ILE B 202 9.053 -0.994 -6.440 1.00 10.00 O ATOM 1349 CB ILE B 202 5.998 -0.388 -6.748 1.00 10.00 C ATOM 1350 CG1 ILE B 202 6.170 1.076 -7.134 1.00 10.00 C ATOM 1351 CG2 ILE B 202 6.239 -0.564 -5.252 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.239 2.008 -6.397 1.00 10.00 C ATOM 0 H ILE B 202 7.129 -2.813 -6.167 1.00 10.00 H new ATOM 0 HA ILE B 202 6.677 -1.249 -8.621 1.00 10.00 H new ATOM 0 HB ILE B 202 4.977 -0.695 -6.973 1.00 10.00 H new ATOM 0 HG12 ILE B 202 7.200 1.376 -6.940 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.004 1.183 -8.206 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.553 0.075 -4.695 1.00 10.00 H new ATOM 0 HG22 ILE B 202 6.070 -1.605 -4.976 1.00 10.00 H new ATOM 0 HG23 ILE B 202 7.266 -0.288 -5.014 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.418 3.033 -6.722 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.206 1.734 -6.611 1.00 10.00 H new ATOM 0 HD13 ILE B 202 5.420 1.931 -5.325 1.00 10.00 H new