USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 31 CYS SG : rot 148:sc= -7.98! USER MOD Set 1.2: A 34 HIS : no HD1:sc= -27.7! C(o=-42!,f=-39!) USER MOD Set 1.3: A 37 THR OG1 : rot 68:sc= -0.678 USER MOD Set 1.4: A 86 CYS SG : rot -110:sc= -5.68 USER MOD Set 1.5: A 88 SER OG : rot -28:sc= -0.126 USER MOD Set 1.6: A 89 CYS SG : rot 180:sc= 0.254 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -120:sc= -4.12! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -130:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -20:sc= 0.541 USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -0.24 (180deg=-1.06) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -46:sc= -1.23! USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 3.693 -1.523 -5.365 1.00 0.00 N ATOM 29 CA ALA A 18 4.818 -1.689 -6.269 1.00 0.00 C ATOM 30 C ALA A 18 5.455 -3.061 -6.038 1.00 0.00 C ATOM 31 O ALA A 18 5.925 -3.697 -6.979 1.00 0.00 O ATOM 32 CB ALA A 18 5.812 -0.543 -6.063 1.00 0.00 C ATOM 0 HA ALA A 18 4.485 -1.650 -7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.656 -0.667 -6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.319 0.407 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.169 -0.552 -5.033 1.00 0.00 H new ATOM 38 N VAL A 19 5.448 -3.476 -4.780 1.00 0.00 N ATOM 39 CA VAL A 19 6.019 -4.761 -4.413 1.00 0.00 C ATOM 40 C VAL A 19 5.179 -5.882 -5.029 1.00 0.00 C ATOM 41 O VAL A 19 5.702 -6.729 -5.751 1.00 0.00 O ATOM 42 CB VAL A 19 6.133 -4.867 -2.891 1.00 0.00 C ATOM 43 CG1 VAL A 19 7.042 -3.771 -2.332 1.00 0.00 C ATOM 44 CG2 VAL A 19 4.753 -4.824 -2.233 1.00 0.00 C ATOM 0 H VAL A 19 5.056 -2.945 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 19 7.030 -4.857 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 19 6.586 -5.830 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.106 -3.869 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.038 -3.868 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.631 -2.794 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.863 -4.901 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.261 -3.884 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.150 -5.656 -2.597 1.00 0.00 H new ATOM 54 N TYR A 20 3.891 -5.849 -4.722 1.00 0.00 N ATOM 55 CA TYR A 20 2.973 -6.852 -5.237 1.00 0.00 C ATOM 56 C TYR A 20 3.099 -6.982 -6.756 1.00 0.00 C ATOM 57 O TYR A 20 2.941 -8.071 -7.305 1.00 0.00 O ATOM 58 CB TYR A 20 1.568 -6.353 -4.895 1.00 0.00 C ATOM 59 CG TYR A 20 1.014 -6.908 -3.581 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.873 -7.430 -2.635 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.345 -6.888 -3.342 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.351 -7.952 -1.399 1.00 0.00 C ATOM 63 CE2 TYR A 20 -0.867 -7.410 -2.106 1.00 0.00 C ATOM 64 CZ TYR A 20 0.007 -7.916 -1.195 1.00 0.00 C ATOM 65 OH TYR A 20 -0.486 -8.410 -0.028 1.00 0.00 O ATOM 0 H TYR A 20 3.461 -5.144 -4.123 1.00 0.00 H new ATOM 0 HA TYR A 20 3.188 -7.828 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.583 -5.264 -4.840 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.891 -6.622 -5.706 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.937 -7.447 -2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.017 -6.481 -4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.012 -8.363 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.928 -7.400 -1.907 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.462 -8.318 -0.020 1.00 0.00 H new ATOM 75 N ILE A 21 3.383 -5.855 -7.393 1.00 0.00 N ATOM 76 CA ILE A 21 3.532 -5.829 -8.838 1.00 0.00 C ATOM 77 C ILE A 21 4.875 -6.455 -9.219 1.00 0.00 C ATOM 78 O ILE A 21 4.943 -7.285 -10.125 1.00 0.00 O ATOM 79 CB ILE A 21 3.343 -4.407 -9.371 1.00 0.00 C ATOM 80 CG1 ILE A 21 1.949 -4.229 -9.976 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.450 -4.042 -10.362 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.038 -3.882 -11.464 1.00 0.00 C ATOM 0 H ILE A 21 3.514 -4.953 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 21 2.754 -6.428 -9.312 1.00 0.00 H new ATOM 0 HB ILE A 21 3.420 -3.714 -8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.373 -5.145 -9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.417 -3.439 -9.446 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.292 -3.027 -10.726 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.418 -4.103 -9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.429 -4.736 -11.202 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.034 -3.761 -11.870 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.594 -2.953 -11.588 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.550 -4.685 -11.995 1.00 0.00 H new ATOM 94 N ALA A 22 5.911 -6.034 -8.509 1.00 0.00 N ATOM 95 CA ALA A 22 7.248 -6.543 -8.761 1.00 0.00 C ATOM 96 C ALA A 22 7.246 -8.066 -8.616 1.00 0.00 C ATOM 97 O ALA A 22 7.962 -8.763 -9.333 1.00 0.00 O ATOM 98 CB ALA A 22 8.240 -5.868 -7.811 1.00 0.00 C ATOM 0 H ALA A 22 5.851 -5.346 -7.759 1.00 0.00 H new ATOM 0 HA ALA A 22 7.561 -6.309 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.243 -6.250 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.225 -4.791 -7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.959 -6.082 -6.780 1.00 0.00 H new ATOM 104 N ILE A 23 6.432 -8.537 -7.683 1.00 0.00 N ATOM 105 CA ILE A 23 6.327 -9.965 -7.434 1.00 0.00 C ATOM 106 C ILE A 23 5.299 -10.571 -8.392 1.00 0.00 C ATOM 107 O ILE A 23 5.447 -11.713 -8.824 1.00 0.00 O ATOM 108 CB ILE A 23 6.023 -10.231 -5.958 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.514 -10.257 -5.705 1.00 0.00 C ATOM 110 CG2 ILE A 23 6.737 -9.218 -5.060 1.00 0.00 C ATOM 111 CD1 ILE A 23 4.199 -10.848 -4.329 1.00 0.00 C ATOM 0 H ILE A 23 5.839 -7.956 -7.091 1.00 0.00 H new ATOM 0 HA ILE A 23 7.279 -10.457 -7.633 1.00 0.00 H new ATOM 0 HB ILE A 23 6.410 -11.217 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.113 -9.246 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.022 -10.846 -6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.504 -9.429 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.814 -9.291 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.402 -8.211 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.120 -10.855 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.580 -11.868 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.672 -10.243 -3.556 1.00 0.00 H new ATOM 123 N GLU A 24 4.281 -9.779 -8.695 1.00 0.00 N ATOM 124 CA GLU A 24 3.229 -10.223 -9.594 1.00 0.00 C ATOM 125 C GLU A 24 3.724 -10.201 -11.041 1.00 0.00 C ATOM 126 O GLU A 24 3.042 -10.687 -11.942 1.00 0.00 O ATOM 127 CB GLU A 24 1.972 -9.368 -9.431 1.00 0.00 C ATOM 128 CG GLU A 24 1.196 -9.768 -8.174 1.00 0.00 C ATOM 129 CD GLU A 24 0.289 -10.970 -8.448 1.00 0.00 C ATOM 130 OE1 GLU A 24 -0.394 -11.452 -7.533 1.00 0.00 O ATOM 131 OE2 GLU A 24 0.310 -11.402 -9.663 1.00 0.00 O ATOM 0 H GLU A 24 4.162 -8.832 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 24 2.966 -11.249 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.249 -8.315 -9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.334 -9.481 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.894 -10.010 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.596 -8.926 -7.830 1.00 0.00 H new ATOM 139 N ALA A 25 4.907 -9.631 -11.220 1.00 0.00 N ATOM 140 CA ALA A 25 5.500 -9.539 -12.543 1.00 0.00 C ATOM 141 C ALA A 25 5.970 -10.926 -12.985 1.00 0.00 C ATOM 142 O ALA A 25 6.229 -11.152 -14.166 1.00 0.00 O ATOM 143 CB ALA A 25 6.639 -8.517 -12.522 1.00 0.00 C ATOM 0 H ALA A 25 5.470 -9.229 -10.471 1.00 0.00 H new ATOM 0 HA ALA A 25 4.765 -9.193 -13.270 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.084 -8.448 -13.515 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.248 -7.542 -12.231 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.397 -8.832 -11.805 1.00 0.00 H new ATOM 149 N GLY A 26 6.067 -11.821 -12.012 1.00 0.00 N ATOM 150 CA GLY A 26 6.501 -13.180 -12.285 1.00 0.00 C ATOM 151 C GLY A 26 7.553 -13.634 -11.272 1.00 0.00 C ATOM 152 O GLY A 26 8.578 -14.201 -11.647 1.00 0.00 O ATOM 0 H GLY A 26 5.852 -11.631 -11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.644 -13.853 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.912 -13.239 -13.293 1.00 0.00 H new ATOM 156 N THR A 27 7.264 -13.368 -10.007 1.00 0.00 N ATOM 157 CA THR A 27 8.172 -13.742 -8.936 1.00 0.00 C ATOM 158 C THR A 27 7.773 -15.095 -8.346 1.00 0.00 C ATOM 159 O THR A 27 8.609 -15.987 -8.208 1.00 0.00 O ATOM 160 CB THR A 27 8.182 -12.609 -7.907 1.00 0.00 C ATOM 161 OG1 THR A 27 8.905 -11.563 -8.549 1.00 0.00 O ATOM 162 CG2 THR A 27 9.026 -12.945 -6.676 1.00 0.00 C ATOM 0 H THR A 27 6.413 -12.897 -9.699 1.00 0.00 H new ATOM 0 HA THR A 27 9.189 -13.872 -9.307 1.00 0.00 H new ATOM 0 HB THR A 27 7.160 -12.390 -7.598 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.697 -11.338 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.000 -12.109 -5.978 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.625 -13.835 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.056 -13.131 -6.981 1.00 0.00 H new ATOM 170 N LEU A 28 6.495 -15.207 -8.014 1.00 0.00 N ATOM 171 CA LEU A 28 5.975 -16.437 -7.442 1.00 0.00 C ATOM 172 C LEU A 28 4.732 -16.871 -8.222 1.00 0.00 C ATOM 173 O LEU A 28 4.240 -16.133 -9.074 1.00 0.00 O ATOM 174 CB LEU A 28 5.731 -16.269 -5.941 1.00 0.00 C ATOM 175 CG LEU A 28 5.410 -14.850 -5.468 1.00 0.00 C ATOM 176 CD1 LEU A 28 4.465 -14.873 -4.265 1.00 0.00 C ATOM 177 CD2 LEU A 28 6.691 -14.066 -5.176 1.00 0.00 C ATOM 0 H LEU A 28 5.804 -14.466 -8.130 1.00 0.00 H new ATOM 0 HA LEU A 28 6.707 -17.239 -7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.908 -16.922 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.616 -16.617 -5.408 1.00 0.00 H new ATOM 0 HG LEU A 28 4.892 -14.331 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.253 -13.852 -3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.534 -15.367 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.933 -15.417 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.434 -13.061 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.259 -14.574 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.294 -14.004 -6.082 1.00 0.00 H new ATOM 189 N ALA A 29 4.259 -18.067 -7.902 1.00 0.00 N ATOM 190 CA ALA A 29 3.083 -18.608 -8.562 1.00 0.00 C ATOM 191 C ALA A 29 2.076 -19.066 -7.505 1.00 0.00 C ATOM 192 O ALA A 29 2.463 -19.511 -6.425 1.00 0.00 O ATOM 193 CB ALA A 29 3.500 -19.742 -9.500 1.00 0.00 C ATOM 0 H ALA A 29 4.669 -18.676 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 29 2.599 -17.844 -9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.618 -20.148 -9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.192 -19.358 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.988 -20.529 -8.925 1.00 0.00 H new ATOM 199 N GLU A 30 0.804 -18.940 -7.852 1.00 0.00 N ATOM 200 CA GLU A 30 -0.262 -19.336 -6.946 1.00 0.00 C ATOM 201 C GLU A 30 -1.432 -19.931 -7.732 1.00 0.00 C ATOM 202 O GLU A 30 -1.771 -19.446 -8.810 1.00 0.00 O ATOM 203 CB GLU A 30 -0.721 -18.154 -6.090 1.00 0.00 C ATOM 204 CG GLU A 30 -1.362 -17.067 -6.955 1.00 0.00 C ATOM 205 CD GLU A 30 -2.884 -17.221 -6.990 1.00 0.00 C ATOM 206 OE1 GLU A 30 -3.527 -16.804 -7.965 1.00 0.00 O ATOM 207 OE2 GLU A 30 -3.397 -17.800 -5.958 1.00 0.00 O ATOM 0 H GLU A 30 0.487 -18.569 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 30 0.125 -20.101 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.436 -18.498 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.130 -17.739 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.101 -16.084 -6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.964 -17.122 -7.968 1.00 0.00 H new ATOM 215 N CYS A 31 -2.017 -20.973 -7.160 1.00 0.00 N ATOM 216 CA CYS A 31 -3.143 -21.640 -7.793 1.00 0.00 C ATOM 217 C CYS A 31 -4.238 -20.601 -8.043 1.00 0.00 C ATOM 218 O CYS A 31 -4.724 -19.969 -7.106 1.00 0.00 O ATOM 219 CB CYS A 31 -3.650 -22.814 -6.954 1.00 0.00 C ATOM 220 SG CYS A 31 -3.871 -24.290 -8.011 1.00 0.00 S ATOM 0 H CYS A 31 -1.733 -21.372 -6.265 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.827 -22.069 -8.744 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.942 -23.032 -6.154 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.596 -22.551 -6.480 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.631 -25.362 -7.315 1.00 0.00 H new ATOM 225 N GLU A 32 -4.594 -20.456 -9.311 1.00 0.00 N ATOM 226 CA GLU A 32 -5.623 -19.505 -9.695 1.00 0.00 C ATOM 227 C GLU A 32 -7.012 -20.085 -9.421 1.00 0.00 C ATOM 228 O GLU A 32 -8.022 -19.420 -9.645 1.00 0.00 O ATOM 229 CB GLU A 32 -5.477 -19.103 -11.164 1.00 0.00 C ATOM 230 CG GLU A 32 -4.405 -18.024 -11.334 1.00 0.00 C ATOM 231 CD GLU A 32 -4.913 -16.666 -10.846 1.00 0.00 C ATOM 232 OE1 GLU A 32 -4.143 -15.695 -10.803 1.00 0.00 O ATOM 233 OE2 GLU A 32 -6.157 -16.639 -10.506 1.00 0.00 O ATOM 0 H GLU A 32 -4.188 -20.981 -10.085 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.501 -18.605 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.215 -19.978 -11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.431 -18.735 -11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.511 -18.304 -10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.118 -17.953 -12.383 1.00 0.00 H new ATOM 241 N VAL A 33 -7.018 -21.320 -8.940 1.00 0.00 N ATOM 242 CA VAL A 33 -8.266 -21.997 -8.633 1.00 0.00 C ATOM 243 C VAL A 33 -8.434 -22.084 -7.115 1.00 0.00 C ATOM 244 O VAL A 33 -9.491 -22.479 -6.625 1.00 0.00 O ATOM 245 CB VAL A 33 -8.301 -23.365 -9.317 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.908 -23.772 -9.801 1.00 0.00 C ATOM 247 CG2 VAL A 33 -8.890 -24.428 -8.388 1.00 0.00 C ATOM 0 H VAL A 33 -6.178 -21.869 -8.756 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.113 -21.432 -9.022 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.949 -23.286 -10.190 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.961 -24.748 -10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.541 -23.034 -10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.228 -23.824 -8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.903 -25.391 -8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.280 -24.503 -7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.907 -24.149 -8.114 1.00 0.00 H new ATOM 257 N HIS A 34 -7.376 -21.707 -6.412 1.00 0.00 N ATOM 258 CA HIS A 34 -7.393 -21.737 -4.959 1.00 0.00 C ATOM 259 C HIS A 34 -6.906 -20.394 -4.412 1.00 0.00 C ATOM 260 O HIS A 34 -5.702 -20.155 -4.326 1.00 0.00 O ATOM 261 CB HIS A 34 -6.583 -22.922 -4.431 1.00 0.00 C ATOM 262 CG HIS A 34 -6.597 -24.130 -5.337 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.341 -24.050 -6.695 1.00 0.00 N ATOM 264 CD2 HIS A 34 -6.839 -25.444 -5.067 1.00 0.00 C ATOM 265 CE1 HIS A 34 -6.428 -25.269 -7.208 1.00 0.00 C ATOM 266 NE2 HIS A 34 -6.737 -26.131 -6.198 1.00 0.00 N ATOM 0 H HIS A 34 -6.501 -21.379 -6.822 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.414 -21.884 -4.606 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.551 -22.605 -4.281 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.973 -23.209 -3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.074 -25.856 -4.097 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.280 -25.533 -8.245 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.868 -27.138 -6.295 1.00 0.00 H new ATOM 274 N GLU A 35 -7.866 -19.552 -4.057 1.00 0.00 N ATOM 275 CA GLU A 35 -7.549 -18.240 -3.521 1.00 0.00 C ATOM 276 C GLU A 35 -6.980 -18.367 -2.106 1.00 0.00 C ATOM 277 O GLU A 35 -7.620 -18.938 -1.225 1.00 0.00 O ATOM 278 CB GLU A 35 -8.779 -17.330 -3.537 1.00 0.00 C ATOM 279 CG GLU A 35 -8.437 -15.936 -3.007 1.00 0.00 C ATOM 280 CD GLU A 35 -7.796 -15.076 -4.099 1.00 0.00 C ATOM 281 OE1 GLU A 35 -7.531 -15.574 -5.204 1.00 0.00 O ATOM 282 OE2 GLU A 35 -7.575 -13.850 -3.768 1.00 0.00 O ATOM 0 H GLU A 35 -8.863 -19.753 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.791 -17.783 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.165 -17.252 -4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.569 -17.770 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.341 -15.450 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.756 -16.022 -2.160 1.00 0.00 H new ATOM 290 N GLY A 36 -5.783 -17.826 -1.933 1.00 0.00 N ATOM 291 CA GLY A 36 -5.120 -17.872 -0.641 1.00 0.00 C ATOM 292 C GLY A 36 -3.906 -18.802 -0.681 1.00 0.00 C ATOM 293 O GLY A 36 -2.960 -18.627 0.086 1.00 0.00 O ATOM 0 H GLY A 36 -5.255 -17.353 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.805 -16.869 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.821 -18.216 0.120 1.00 0.00 H new ATOM 297 N THR A 37 -3.972 -19.771 -1.582 1.00 0.00 N ATOM 298 CA THR A 37 -2.890 -20.729 -1.731 1.00 0.00 C ATOM 299 C THR A 37 -1.859 -20.216 -2.739 1.00 0.00 C ATOM 300 O THR A 37 -2.178 -20.012 -3.909 1.00 0.00 O ATOM 301 CB THR A 37 -3.502 -22.076 -2.119 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.869 -21.773 -2.385 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.558 -23.055 -0.944 1.00 0.00 C ATOM 0 H THR A 37 -4.758 -19.913 -2.216 1.00 0.00 H new ATOM 0 HA THR A 37 -2.346 -20.861 -0.796 1.00 0.00 H new ATOM 0 HB THR A 37 -2.923 -22.517 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.931 -21.220 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.001 -23.995 -1.274 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.549 -23.239 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.164 -22.629 -0.144 1.00 0.00 H new ATOM 311 N TYR A 38 -0.644 -20.024 -2.248 1.00 0.00 N ATOM 312 CA TYR A 38 0.436 -19.539 -3.091 1.00 0.00 C ATOM 313 C TYR A 38 1.665 -20.444 -2.983 1.00 0.00 C ATOM 314 O TYR A 38 1.678 -21.387 -2.193 1.00 0.00 O ATOM 315 CB TYR A 38 0.793 -18.149 -2.562 1.00 0.00 C ATOM 316 CG TYR A 38 0.041 -17.008 -3.251 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.338 -17.026 -3.307 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.742 -15.963 -3.817 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.045 -15.952 -3.956 1.00 0.00 C ATOM 320 CE2 TYR A 38 0.034 -14.889 -4.466 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.325 -14.937 -4.503 1.00 0.00 C ATOM 322 OH TYR A 38 -1.993 -13.924 -5.116 1.00 0.00 O ATOM 0 H TYR A 38 -0.383 -20.195 -1.277 1.00 0.00 H new ATOM 0 HA TYR A 38 0.128 -19.522 -4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.585 -18.114 -1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.864 -17.990 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.886 -17.845 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.821 -15.950 -3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.124 -15.953 -4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.570 -14.065 -4.913 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.350 -13.269 -5.459 1.00 0.00 H new ATOM 332 N PHE A 39 2.667 -20.126 -3.788 1.00 0.00 N ATOM 333 CA PHE A 39 3.898 -20.898 -3.793 1.00 0.00 C ATOM 334 C PHE A 39 4.955 -20.241 -4.683 1.00 0.00 C ATOM 335 O PHE A 39 4.813 -20.214 -5.904 1.00 0.00 O ATOM 336 CB PHE A 39 3.558 -22.278 -4.359 1.00 0.00 C ATOM 337 CG PHE A 39 3.288 -22.283 -5.865 1.00 0.00 C ATOM 338 CD1 PHE A 39 2.040 -22.014 -6.334 1.00 0.00 C ATOM 339 CD2 PHE A 39 4.297 -22.558 -6.736 1.00 0.00 C ATOM 340 CE1 PHE A 39 1.790 -22.019 -7.731 1.00 0.00 C ATOM 341 CE2 PHE A 39 4.046 -22.563 -8.133 1.00 0.00 C ATOM 342 CZ PHE A 39 2.798 -22.293 -8.602 1.00 0.00 C ATOM 0 H PHE A 39 2.652 -19.344 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 39 4.302 -20.960 -2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.381 -22.960 -4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.680 -22.666 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.239 -21.797 -5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.288 -22.772 -6.364 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.799 -21.805 -8.103 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.847 -22.781 -8.824 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.608 -22.296 -9.665 1.00 0.00 H new ATOM 352 N SER A 40 5.991 -19.727 -4.036 1.00 0.00 N ATOM 353 CA SER A 40 7.071 -19.072 -4.754 1.00 0.00 C ATOM 354 C SER A 40 8.079 -20.113 -5.245 1.00 0.00 C ATOM 355 O SER A 40 8.291 -21.134 -4.593 1.00 0.00 O ATOM 356 CB SER A 40 7.767 -18.033 -3.873 1.00 0.00 C ATOM 357 OG SER A 40 8.646 -18.637 -2.928 1.00 0.00 O ATOM 0 H SER A 40 6.105 -19.751 -3.023 1.00 0.00 H new ATOM 0 HA SER A 40 6.646 -18.553 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.330 -17.343 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.017 -17.444 -3.345 1.00 0.00 H new ATOM 0 HG SER A 40 8.462 -18.279 -2.035 1.00 0.00 H new ATOM 363 N ASP A 41 8.675 -19.817 -6.391 1.00 0.00 N ATOM 364 CA ASP A 41 9.657 -20.714 -6.977 1.00 0.00 C ATOM 365 C ASP A 41 10.550 -21.279 -5.871 1.00 0.00 C ATOM 366 O ASP A 41 11.507 -20.630 -5.449 1.00 0.00 O ATOM 367 CB ASP A 41 10.550 -19.977 -7.976 1.00 0.00 C ATOM 368 CG ASP A 41 10.926 -18.549 -7.576 1.00 0.00 C ATOM 369 OD1 ASP A 41 11.073 -18.237 -6.384 1.00 0.00 O ATOM 370 OD2 ASP A 41 11.072 -17.727 -8.559 1.00 0.00 O ATOM 0 H ASP A 41 8.497 -18.969 -6.929 1.00 0.00 H new ATOM 0 HA ASP A 41 9.120 -21.510 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.465 -20.552 -8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.043 -19.947 -8.940 1.00 0.00 H new ATOM 376 N SER A 42 10.207 -22.481 -5.432 1.00 0.00 N ATOM 377 CA SER A 42 10.966 -23.140 -4.383 1.00 0.00 C ATOM 378 C SER A 42 12.331 -23.575 -4.920 1.00 0.00 C ATOM 379 O SER A 42 12.431 -24.079 -6.037 1.00 0.00 O ATOM 380 CB SER A 42 10.205 -24.345 -3.827 1.00 0.00 C ATOM 381 OG SER A 42 10.203 -25.441 -4.738 1.00 0.00 O ATOM 0 H SER A 42 9.413 -23.016 -5.784 1.00 0.00 H new ATOM 0 HA SER A 42 11.113 -22.430 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.657 -24.657 -2.886 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.178 -24.055 -3.606 1.00 0.00 H new ATOM 0 HG SER A 42 9.709 -26.191 -4.346 1.00 0.00 H new ATOM 387 N GLY A 43 13.349 -23.363 -4.098 1.00 0.00 N ATOM 388 CA GLY A 43 14.704 -23.727 -4.476 1.00 0.00 C ATOM 389 C GLY A 43 15.560 -22.482 -4.712 1.00 0.00 C ATOM 390 O GLY A 43 16.778 -22.520 -4.540 1.00 0.00 O ATOM 0 H GLY A 43 13.262 -22.944 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.152 -24.338 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.682 -24.335 -5.381 1.00 0.00 H new ATOM 394 N ASP A 44 14.891 -21.407 -5.103 1.00 0.00 N ATOM 395 CA ASP A 44 15.575 -20.153 -5.364 1.00 0.00 C ATOM 396 C ASP A 44 14.674 -18.988 -4.948 1.00 0.00 C ATOM 397 O ASP A 44 13.999 -18.392 -5.784 1.00 0.00 O ATOM 398 CB ASP A 44 15.891 -19.997 -6.853 1.00 0.00 C ATOM 399 CG ASP A 44 16.642 -21.173 -7.481 1.00 0.00 C ATOM 400 OD1 ASP A 44 16.055 -21.996 -8.199 1.00 0.00 O ATOM 401 OD2 ASP A 44 17.901 -21.226 -7.204 1.00 0.00 O ATOM 0 H ASP A 44 13.881 -21.379 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 44 16.505 -20.153 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.956 -19.852 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.483 -19.092 -6.991 1.00 0.00 H new ATOM 407 N ILE A 45 14.694 -18.700 -3.655 1.00 0.00 N ATOM 408 CA ILE A 45 13.887 -17.618 -3.117 1.00 0.00 C ATOM 409 C ILE A 45 14.501 -16.278 -3.526 1.00 0.00 C ATOM 410 O ILE A 45 13.783 -15.305 -3.751 1.00 0.00 O ATOM 411 CB ILE A 45 13.713 -17.779 -1.605 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.455 -18.588 -1.281 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.716 -16.419 -0.905 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.246 -17.670 -1.092 1.00 0.00 C ATOM 0 H ILE A 45 15.256 -19.197 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 45 12.881 -17.649 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 45 14.565 -18.340 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.256 -19.296 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.617 -19.172 -0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.591 -16.562 0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.663 -15.914 -1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.897 -15.811 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.366 -18.270 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.438 -16.980 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.072 -17.105 -2.008 1.00 0.00 H new ATOM 426 N SER A 46 15.824 -16.270 -3.608 1.00 0.00 N ATOM 427 CA SER A 46 16.543 -15.065 -3.986 1.00 0.00 C ATOM 428 C SER A 46 16.255 -14.721 -5.449 1.00 0.00 C ATOM 429 O SER A 46 16.294 -13.554 -5.835 1.00 0.00 O ATOM 430 CB SER A 46 18.048 -15.230 -3.766 1.00 0.00 C ATOM 431 OG SER A 46 18.726 -13.977 -3.752 1.00 0.00 O ATOM 0 H SER A 46 16.416 -17.079 -3.419 1.00 0.00 H new ATOM 0 HA SER A 46 16.198 -14.248 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.222 -15.747 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.463 -15.858 -4.554 1.00 0.00 H new ATOM 0 HG SER A 46 18.172 -13.300 -4.194 1.00 0.00 H new ATOM 437 N GLU A 47 15.973 -15.758 -6.223 1.00 0.00 N ATOM 438 CA GLU A 47 15.679 -15.581 -7.635 1.00 0.00 C ATOM 439 C GLU A 47 14.470 -14.660 -7.814 1.00 0.00 C ATOM 440 O GLU A 47 14.388 -13.920 -8.793 1.00 0.00 O ATOM 441 CB GLU A 47 15.447 -16.928 -8.321 1.00 0.00 C ATOM 442 CG GLU A 47 16.748 -17.470 -8.918 1.00 0.00 C ATOM 443 CD GLU A 47 17.041 -16.823 -10.273 1.00 0.00 C ATOM 444 OE1 GLU A 47 18.211 -16.713 -10.668 1.00 0.00 O ATOM 445 OE2 GLU A 47 16.000 -16.427 -10.925 1.00 0.00 O ATOM 0 H GLU A 47 15.942 -16.725 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 47 16.542 -15.113 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.047 -17.643 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.701 -16.816 -9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.574 -17.278 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.676 -18.551 -9.035 1.00 0.00 H new ATOM 453 N ALA A 48 13.562 -14.735 -6.852 1.00 0.00 N ATOM 454 CA ALA A 48 12.361 -13.917 -6.891 1.00 0.00 C ATOM 455 C ALA A 48 12.754 -12.440 -6.830 1.00 0.00 C ATOM 456 O ALA A 48 12.180 -11.612 -7.536 1.00 0.00 O ATOM 457 CB ALA A 48 11.431 -14.321 -5.745 1.00 0.00 C ATOM 0 H ALA A 48 13.634 -15.349 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 48 11.818 -14.076 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.530 -13.708 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.159 -15.371 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.941 -14.172 -4.793 1.00 0.00 H new ATOM 463 N GLU A 49 13.728 -12.154 -5.979 1.00 0.00 N ATOM 464 CA GLU A 49 14.204 -10.790 -5.817 1.00 0.00 C ATOM 465 C GLU A 49 14.922 -10.324 -7.085 1.00 0.00 C ATOM 466 O GLU A 49 14.592 -9.277 -7.640 1.00 0.00 O ATOM 467 CB GLU A 49 15.116 -10.670 -4.594 1.00 0.00 C ATOM 468 CG GLU A 49 16.243 -9.667 -4.848 1.00 0.00 C ATOM 469 CD GLU A 49 17.466 -10.358 -5.455 1.00 0.00 C ATOM 470 OE1 GLU A 49 18.045 -9.852 -6.427 1.00 0.00 O ATOM 471 OE2 GLU A 49 17.811 -11.460 -4.879 1.00 0.00 O ATOM 0 H GLU A 49 14.201 -12.843 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 49 13.343 -10.142 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.532 -10.355 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.539 -11.645 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.893 -8.884 -5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.522 -9.183 -3.912 1.00 0.00 H new ATOM 479 N GLU A 50 15.890 -11.124 -7.506 1.00 0.00 N ATOM 480 CA GLU A 50 16.658 -10.807 -8.698 1.00 0.00 C ATOM 481 C GLU A 50 15.720 -10.542 -9.878 1.00 0.00 C ATOM 482 O GLU A 50 15.849 -9.527 -10.562 1.00 0.00 O ATOM 483 CB GLU A 50 17.649 -11.925 -9.027 1.00 0.00 C ATOM 484 CG GLU A 50 18.861 -11.875 -8.094 1.00 0.00 C ATOM 485 CD GLU A 50 19.883 -12.951 -8.465 1.00 0.00 C ATOM 486 OE1 GLU A 50 19.697 -13.666 -9.460 1.00 0.00 O ATOM 487 OE2 GLU A 50 20.902 -13.030 -7.677 1.00 0.00 O ATOM 0 H GLU A 50 16.160 -11.992 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 50 17.234 -9.902 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.155 -12.892 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 50 17.978 -11.831 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.327 -10.891 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.537 -12.016 -7.063 1.00 0.00 H new ATOM 495 N LEU A 51 14.798 -11.471 -10.080 1.00 0.00 N ATOM 496 CA LEU A 51 13.839 -11.350 -11.165 1.00 0.00 C ATOM 497 C LEU A 51 13.028 -10.066 -10.983 1.00 0.00 C ATOM 498 O LEU A 51 12.752 -9.359 -11.951 1.00 0.00 O ATOM 499 CB LEU A 51 12.979 -12.612 -11.264 1.00 0.00 C ATOM 500 CG LEU A 51 11.503 -12.393 -11.598 1.00 0.00 C ATOM 501 CD1 LEU A 51 10.713 -11.986 -10.353 1.00 0.00 C ATOM 502 CD2 LEU A 51 11.342 -11.382 -12.735 1.00 0.00 C ATOM 0 H LEU A 51 14.694 -12.311 -9.511 1.00 0.00 H new ATOM 0 HA LEU A 51 14.355 -11.268 -12.122 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.410 -13.263 -12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.041 -13.145 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 51 11.088 -13.339 -11.947 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.667 -11.837 -10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.788 -12.772 -9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.121 -11.059 -9.950 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.283 -11.245 -12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.778 -10.428 -12.438 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.850 -11.752 -13.625 1.00 0.00 H new ATOM 514 N ALA A 52 12.668 -9.804 -9.735 1.00 0.00 N ATOM 515 CA ALA A 52 11.894 -8.617 -9.413 1.00 0.00 C ATOM 516 C ALA A 52 12.710 -7.371 -9.763 1.00 0.00 C ATOM 517 O ALA A 52 12.163 -6.383 -10.252 1.00 0.00 O ATOM 518 CB ALA A 52 11.491 -8.655 -7.938 1.00 0.00 C ATOM 0 H ALA A 52 12.898 -10.393 -8.935 1.00 0.00 H new ATOM 0 HA ALA A 52 10.977 -8.586 -10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.910 -7.765 -7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.889 -9.543 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.386 -8.684 -7.317 1.00 0.00 H new ATOM 524 N ARG A 53 14.005 -7.457 -9.498 1.00 0.00 N ATOM 525 CA ARG A 53 14.902 -6.348 -9.779 1.00 0.00 C ATOM 526 C ARG A 53 15.106 -6.200 -11.288 1.00 0.00 C ATOM 527 O ARG A 53 15.371 -5.103 -11.777 1.00 0.00 O ATOM 528 CB ARG A 53 16.260 -6.554 -9.105 1.00 0.00 C ATOM 529 CG ARG A 53 17.352 -6.819 -10.143 1.00 0.00 C ATOM 530 CD ARG A 53 18.650 -7.270 -9.470 1.00 0.00 C ATOM 531 NE ARG A 53 19.227 -6.155 -8.686 1.00 0.00 N ATOM 532 CZ ARG A 53 20.159 -6.309 -7.735 1.00 0.00 C ATOM 533 NH1 ARG A 53 20.625 -7.531 -7.445 1.00 0.00 N ATOM 534 NH2 ARG A 53 20.625 -5.240 -7.075 1.00 0.00 N ATOM 0 H ARG A 53 14.455 -8.277 -9.092 1.00 0.00 H new ATOM 0 HA ARG A 53 14.445 -5.442 -9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 53 16.517 -5.672 -8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.202 -7.392 -8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.016 -7.584 -10.843 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.534 -5.915 -10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.455 -8.121 -8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 53 19.364 -7.603 -10.224 1.00 0.00 H new ATOM 0 HE ARG A 53 18.895 -5.211 -8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.271 -8.345 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.334 -7.648 -6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.270 -4.310 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.334 -5.357 -6.351 1.00 0.00 H new ATOM 548 N GLU A 54 14.974 -7.320 -11.984 1.00 0.00 N ATOM 549 CA GLU A 54 15.141 -7.328 -13.427 1.00 0.00 C ATOM 550 C GLU A 54 13.943 -6.659 -14.104 1.00 0.00 C ATOM 551 O GLU A 54 14.114 -5.806 -14.973 1.00 0.00 O ATOM 552 CB GLU A 54 15.340 -8.753 -13.948 1.00 0.00 C ATOM 553 CG GLU A 54 15.662 -8.750 -15.444 1.00 0.00 C ATOM 554 CD GLU A 54 16.039 -10.152 -15.926 1.00 0.00 C ATOM 555 OE1 GLU A 54 17.223 -10.520 -15.897 1.00 0.00 O ATOM 556 OE2 GLU A 54 15.051 -10.871 -16.341 1.00 0.00 O ATOM 0 H GLU A 54 14.753 -8.228 -11.575 1.00 0.00 H new ATOM 0 HA GLU A 54 16.037 -6.758 -13.673 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.149 -9.235 -13.399 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.439 -9.339 -13.767 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.800 -8.388 -16.005 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.483 -8.061 -15.642 1.00 0.00 H new ATOM 564 N LYS A 55 12.758 -7.073 -13.680 1.00 0.00 N ATOM 565 CA LYS A 55 11.532 -6.524 -14.234 1.00 0.00 C ATOM 566 C LYS A 55 11.378 -5.071 -13.781 1.00 0.00 C ATOM 567 O LYS A 55 11.145 -4.183 -14.599 1.00 0.00 O ATOM 568 CB LYS A 55 10.338 -7.411 -13.875 1.00 0.00 C ATOM 569 CG LYS A 55 9.236 -7.300 -14.930 1.00 0.00 C ATOM 570 CD LYS A 55 9.291 -8.477 -15.907 1.00 0.00 C ATOM 571 CE LYS A 55 7.950 -8.661 -16.621 1.00 0.00 C ATOM 572 NZ LYS A 55 7.220 -7.375 -16.691 1.00 0.00 N ATOM 0 H LYS A 55 12.621 -7.782 -12.960 1.00 0.00 H new ATOM 0 HA LYS A 55 11.576 -6.515 -15.323 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.663 -8.448 -13.791 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.944 -7.121 -12.901 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.262 -7.273 -14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.344 -6.363 -15.477 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.078 -8.308 -16.642 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.549 -9.389 -15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.117 -9.047 -17.627 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.348 -9.400 -16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.481 -7.434 -17.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.781 -7.174 -15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.884 -6.612 -16.932 1.00 0.00 H new ATOM 586 N PHE A 56 11.513 -4.874 -12.478 1.00 0.00 N ATOM 587 CA PHE A 56 11.392 -3.544 -11.905 1.00 0.00 C ATOM 588 C PHE A 56 12.361 -2.568 -12.575 1.00 0.00 C ATOM 589 O PHE A 56 11.958 -1.495 -13.021 1.00 0.00 O ATOM 590 CB PHE A 56 11.748 -3.661 -10.422 1.00 0.00 C ATOM 591 CG PHE A 56 11.717 -2.330 -9.668 1.00 0.00 C ATOM 592 CD1 PHE A 56 11.146 -1.237 -10.241 1.00 0.00 C ATOM 593 CD2 PHE A 56 12.259 -2.241 -8.424 1.00 0.00 C ATOM 594 CE1 PHE A 56 11.117 -0.002 -9.541 1.00 0.00 C ATOM 595 CE2 PHE A 56 12.230 -1.006 -7.724 1.00 0.00 C ATOM 596 CZ PHE A 56 11.660 0.088 -8.297 1.00 0.00 C ATOM 0 H PHE A 56 11.705 -5.613 -11.802 1.00 0.00 H new ATOM 0 HA PHE A 56 10.380 -3.167 -12.051 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.054 -4.353 -9.946 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.744 -4.095 -10.331 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.715 -1.308 -11.229 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.711 -3.109 -7.969 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.664 0.866 -9.996 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.661 -0.935 -6.736 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.639 1.027 -7.765 1.00 0.00 H new ATOM 606 N GLU A 57 13.621 -2.976 -12.625 1.00 0.00 N ATOM 607 CA GLU A 57 14.651 -2.151 -13.233 1.00 0.00 C ATOM 608 C GLU A 57 14.413 -2.029 -14.739 1.00 0.00 C ATOM 609 O GLU A 57 14.782 -1.028 -15.351 1.00 0.00 O ATOM 610 CB GLU A 57 16.045 -2.711 -12.942 1.00 0.00 C ATOM 611 CG GLU A 57 16.381 -3.866 -13.887 1.00 0.00 C ATOM 612 CD GLU A 57 17.677 -4.561 -13.466 1.00 0.00 C ATOM 613 OE1 GLU A 57 18.142 -4.370 -12.332 1.00 0.00 O ATOM 614 OE2 GLU A 57 18.203 -5.324 -14.363 1.00 0.00 O ATOM 0 H GLU A 57 13.952 -3.867 -12.254 1.00 0.00 H new ATOM 0 HA GLU A 57 14.597 -1.155 -12.794 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.788 -1.921 -13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.094 -3.056 -11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.563 -4.586 -13.891 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.480 -3.490 -14.905 1.00 0.00 H new ATOM 622 N LYS A 58 13.799 -3.064 -15.295 1.00 0.00 N ATOM 623 CA LYS A 58 13.507 -3.085 -16.718 1.00 0.00 C ATOM 624 C LYS A 58 12.135 -2.455 -16.963 1.00 0.00 C ATOM 625 O LYS A 58 11.541 -2.644 -18.023 1.00 0.00 O ATOM 626 CB LYS A 58 13.639 -4.506 -17.271 1.00 0.00 C ATOM 627 CG LYS A 58 13.313 -4.545 -18.765 1.00 0.00 C ATOM 628 CD LYS A 58 13.868 -3.311 -19.480 1.00 0.00 C ATOM 629 CE LYS A 58 15.397 -3.292 -19.435 1.00 0.00 C ATOM 630 NZ LYS A 58 15.957 -4.167 -20.488 1.00 0.00 N ATOM 0 H LYS A 58 13.496 -3.894 -14.785 1.00 0.00 H new ATOM 0 HA LYS A 58 14.235 -2.486 -17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.653 -4.871 -17.107 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.968 -5.174 -16.731 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.734 -5.447 -19.209 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.233 -4.595 -18.904 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.531 -3.305 -20.517 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.476 -2.408 -19.012 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.758 -2.273 -19.571 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.742 -3.625 -18.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.996 -4.143 -20.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.627 -5.142 -20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.643 -3.832 -21.421 1.00 0.00 H new ATOM 754 N VAL A 67 15.362 0.153 -6.194 1.00 0.00 N ATOM 755 CA VAL A 67 15.487 -1.245 -6.570 1.00 0.00 C ATOM 756 C VAL A 67 15.795 -2.078 -5.324 1.00 0.00 C ATOM 757 O VAL A 67 15.034 -2.977 -4.971 1.00 0.00 O ATOM 758 CB VAL A 67 16.542 -1.399 -7.668 1.00 0.00 C ATOM 759 CG1 VAL A 67 16.512 -2.809 -8.263 1.00 0.00 C ATOM 760 CG2 VAL A 67 16.359 -0.340 -8.757 1.00 0.00 C ATOM 0 HA VAL A 67 14.549 -1.615 -6.985 1.00 0.00 H new ATOM 0 HB VAL A 67 17.522 -1.247 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 67 17.271 -2.892 -9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 67 16.714 -3.539 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 67 15.529 -3.002 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.121 -0.472 -9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.371 -0.446 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.454 0.653 -8.318 1.00 0.00 H new ATOM 770 N GLU A 68 16.913 -1.749 -4.693 1.00 0.00 N ATOM 771 CA GLU A 68 17.330 -2.456 -3.494 1.00 0.00 C ATOM 772 C GLU A 68 16.166 -2.561 -2.507 1.00 0.00 C ATOM 773 O GLU A 68 16.064 -3.534 -1.762 1.00 0.00 O ATOM 774 CB GLU A 68 18.537 -1.773 -2.848 1.00 0.00 C ATOM 775 CG GLU A 68 18.631 -2.119 -1.360 1.00 0.00 C ATOM 776 CD GLU A 68 19.971 -1.666 -0.775 1.00 0.00 C ATOM 777 OE1 GLU A 68 20.913 -1.386 -1.530 1.00 0.00 O ATOM 778 OE2 GLU A 68 20.012 -1.609 0.513 1.00 0.00 O ATOM 0 H GLU A 68 17.542 -1.003 -4.989 1.00 0.00 H new ATOM 0 HA GLU A 68 17.632 -3.464 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.450 -2.084 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.456 -0.693 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.814 -1.641 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.516 -3.195 -1.225 1.00 0.00 H new ATOM 786 N GLU A 69 15.316 -1.544 -2.533 1.00 0.00 N ATOM 787 CA GLU A 69 14.163 -1.509 -1.650 1.00 0.00 C ATOM 788 C GLU A 69 13.093 -2.489 -2.136 1.00 0.00 C ATOM 789 O GLU A 69 12.581 -3.291 -1.357 1.00 0.00 O ATOM 790 CB GLU A 69 13.600 -0.091 -1.539 1.00 0.00 C ATOM 791 CG GLU A 69 14.430 0.754 -0.571 1.00 0.00 C ATOM 792 CD GLU A 69 14.228 0.291 0.873 1.00 0.00 C ATOM 793 OE1 GLU A 69 15.211 0.054 1.591 1.00 0.00 O ATOM 794 OE2 GLU A 69 12.998 0.181 1.244 1.00 0.00 O ATOM 0 H GLU A 69 15.403 -0.738 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 69 14.483 -1.815 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.592 0.379 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.566 -0.132 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.485 0.684 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.147 1.803 -0.663 1.00 0.00 H new ATOM 802 N LEU A 70 12.786 -2.390 -3.421 1.00 0.00 N ATOM 803 CA LEU A 70 11.786 -3.257 -4.020 1.00 0.00 C ATOM 804 C LEU A 70 12.194 -4.718 -3.815 1.00 0.00 C ATOM 805 O LEU A 70 11.432 -5.507 -3.259 1.00 0.00 O ATOM 806 CB LEU A 70 11.560 -2.882 -5.486 1.00 0.00 C ATOM 807 CG LEU A 70 10.632 -3.804 -6.279 1.00 0.00 C ATOM 808 CD1 LEU A 70 9.751 -3.001 -7.239 1.00 0.00 C ATOM 809 CD2 LEU A 70 11.427 -4.891 -7.005 1.00 0.00 C ATOM 0 H LEU A 70 13.212 -1.723 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 70 10.823 -3.123 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.154 -1.871 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.528 -2.855 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 70 9.968 -4.307 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.101 -3.680 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.142 -2.297 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.381 -2.453 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.743 -5.532 -7.561 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.131 -4.427 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.974 -5.489 -6.277 1.00 0.00 H new ATOM 821 N VAL A 71 13.396 -5.033 -4.276 1.00 0.00 N ATOM 822 CA VAL A 71 13.915 -6.384 -4.150 1.00 0.00 C ATOM 823 C VAL A 71 13.768 -6.849 -2.700 1.00 0.00 C ATOM 824 O VAL A 71 13.235 -7.928 -2.441 1.00 0.00 O ATOM 825 CB VAL A 71 15.360 -6.439 -4.652 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.408 -6.478 -6.180 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.174 -5.264 -4.106 1.00 0.00 C ATOM 0 H VAL A 71 14.025 -4.376 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 71 13.343 -7.072 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 71 15.810 -7.359 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.446 -6.517 -6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.880 -7.362 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.932 -5.583 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.197 -5.326 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.725 -4.327 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.181 -5.301 -3.017 1.00 0.00 H new ATOM 837 N LYS A 72 14.250 -6.013 -1.792 1.00 0.00 N ATOM 838 CA LYS A 72 14.179 -6.326 -0.374 1.00 0.00 C ATOM 839 C LYS A 72 12.720 -6.567 0.018 1.00 0.00 C ATOM 840 O LYS A 72 12.424 -7.473 0.795 1.00 0.00 O ATOM 841 CB LYS A 72 14.864 -5.234 0.450 1.00 0.00 C ATOM 842 CG LYS A 72 16.301 -5.630 0.797 1.00 0.00 C ATOM 843 CD LYS A 72 17.075 -6.043 -0.457 1.00 0.00 C ATOM 844 CE LYS A 72 18.333 -6.831 -0.090 1.00 0.00 C ATOM 845 NZ LYS A 72 19.448 -5.910 0.227 1.00 0.00 N ATOM 0 H LYS A 72 14.691 -5.120 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 72 14.724 -7.245 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.866 -4.298 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.300 -5.057 1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.806 -4.794 1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.293 -6.454 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.436 -6.649 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.351 -5.156 -1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.130 -7.474 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.615 -7.482 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.294 -6.462 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.652 -5.314 -0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 19.182 -5.306 1.031 1.00 0.00 H new ATOM 859 N LYS A 73 11.846 -5.740 -0.539 1.00 0.00 N ATOM 860 CA LYS A 73 10.425 -5.852 -0.257 1.00 0.00 C ATOM 861 C LYS A 73 9.852 -7.050 -1.017 1.00 0.00 C ATOM 862 O LYS A 73 8.813 -7.590 -0.639 1.00 0.00 O ATOM 863 CB LYS A 73 9.713 -4.533 -0.561 1.00 0.00 C ATOM 864 CG LYS A 73 8.892 -4.063 0.641 1.00 0.00 C ATOM 865 CD LYS A 73 8.895 -2.537 0.745 1.00 0.00 C ATOM 866 CE LYS A 73 7.715 -1.933 -0.019 1.00 0.00 C ATOM 867 NZ LYS A 73 7.428 -0.565 0.469 1.00 0.00 N ATOM 0 H LYS A 73 12.095 -4.990 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 73 10.260 -6.039 0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.447 -3.772 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.060 -4.659 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.867 -4.423 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.300 -4.494 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.845 -2.240 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.830 -2.144 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.940 -1.906 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.834 -2.562 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.625 -0.169 -0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.193 -0.600 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.265 0.036 0.329 1.00 0.00 H new ATOM 881 N VAL A 74 10.553 -7.430 -2.075 1.00 0.00 N ATOM 882 CA VAL A 74 10.127 -8.553 -2.892 1.00 0.00 C ATOM 883 C VAL A 74 10.389 -9.857 -2.135 1.00 0.00 C ATOM 884 O VAL A 74 9.567 -10.772 -2.163 1.00 0.00 O ATOM 885 CB VAL A 74 10.822 -8.504 -4.254 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.450 -9.720 -5.104 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.495 -7.201 -4.988 1.00 0.00 C ATOM 0 H VAL A 74 11.414 -6.980 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 74 9.056 -8.498 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 74 11.898 -8.533 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.958 -9.660 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.755 -10.631 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.372 -9.737 -5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.001 -7.190 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.418 -7.130 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.833 -6.353 -4.392 1.00 0.00 H new ATOM 897 N VAL A 75 11.537 -9.900 -1.475 1.00 0.00 N ATOM 898 CA VAL A 75 11.918 -11.076 -0.712 1.00 0.00 C ATOM 899 C VAL A 75 11.099 -11.128 0.580 1.00 0.00 C ATOM 900 O VAL A 75 10.767 -12.208 1.066 1.00 0.00 O ATOM 901 CB VAL A 75 13.428 -11.072 -0.462 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.814 -9.989 0.546 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.911 -12.449 -0.001 1.00 0.00 C ATOM 0 H VAL A 75 12.216 -9.139 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 75 11.697 -11.983 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 75 13.923 -10.842 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.892 -10.008 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.521 -9.012 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.304 -10.174 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.987 -12.419 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.404 -12.721 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.686 -13.189 -0.769 1.00 0.00 H new ATOM 913 N ALA A 76 10.798 -9.947 1.099 1.00 0.00 N ATOM 914 CA ALA A 76 10.024 -9.844 2.325 1.00 0.00 C ATOM 915 C ALA A 76 8.593 -10.316 2.061 1.00 0.00 C ATOM 916 O ALA A 76 8.090 -11.200 2.753 1.00 0.00 O ATOM 917 CB ALA A 76 10.076 -8.405 2.842 1.00 0.00 C ATOM 0 H ALA A 76 11.076 -9.053 0.693 1.00 0.00 H new ATOM 0 HA ALA A 76 10.445 -10.485 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.496 -8.328 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.111 -8.127 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.659 -7.734 2.092 1.00 0.00 H new ATOM 923 N VAL A 77 7.978 -9.706 1.058 1.00 0.00 N ATOM 924 CA VAL A 77 6.615 -10.054 0.694 1.00 0.00 C ATOM 925 C VAL A 77 6.543 -11.548 0.372 1.00 0.00 C ATOM 926 O VAL A 77 5.686 -12.259 0.895 1.00 0.00 O ATOM 927 CB VAL A 77 6.140 -9.170 -0.460 1.00 0.00 C ATOM 928 CG1 VAL A 77 5.967 -7.719 -0.005 1.00 0.00 C ATOM 929 CG2 VAL A 77 7.097 -9.261 -1.650 1.00 0.00 C ATOM 0 H VAL A 77 8.398 -8.973 0.486 1.00 0.00 H new ATOM 0 HA VAL A 77 5.938 -9.869 1.528 1.00 0.00 H new ATOM 0 HB VAL A 77 5.166 -9.537 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.629 -7.112 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.229 -7.674 0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.920 -7.336 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.736 -8.623 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.090 -8.932 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.148 -10.293 -1.998 1.00 0.00 H new ATOM 939 N CYS A 78 7.453 -11.980 -0.488 1.00 0.00 N ATOM 940 CA CYS A 78 7.504 -13.376 -0.886 1.00 0.00 C ATOM 941 C CYS A 78 7.572 -14.234 0.379 1.00 0.00 C ATOM 942 O CYS A 78 6.920 -15.274 0.464 1.00 0.00 O ATOM 943 CB CYS A 78 8.677 -13.654 -1.828 1.00 0.00 C ATOM 944 SG CYS A 78 10.162 -14.110 -0.861 1.00 0.00 S ATOM 0 H CYS A 78 8.161 -11.387 -0.921 1.00 0.00 H new ATOM 0 HA CYS A 78 6.605 -13.629 -1.448 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.419 -14.460 -2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.884 -12.772 -2.434 1.00 0.00 H new ATOM 0 HG CYS A 78 10.305 -13.282 0.131 1.00 0.00 H new ATOM 950 N GLU A 79 8.367 -13.767 1.330 1.00 0.00 N ATOM 951 CA GLU A 79 8.529 -14.479 2.586 1.00 0.00 C ATOM 952 C GLU A 79 7.289 -14.296 3.463 1.00 0.00 C ATOM 953 O GLU A 79 6.971 -15.158 4.282 1.00 0.00 O ATOM 954 CB GLU A 79 9.791 -14.019 3.318 1.00 0.00 C ATOM 955 CG GLU A 79 9.992 -14.807 4.614 1.00 0.00 C ATOM 956 CD GLU A 79 10.378 -16.258 4.319 1.00 0.00 C ATOM 957 OE1 GLU A 79 9.572 -17.172 4.546 1.00 0.00 O ATOM 958 OE2 GLU A 79 11.563 -16.419 3.836 1.00 0.00 O ATOM 0 H GLU A 79 8.906 -12.904 1.256 1.00 0.00 H new ATOM 0 HA GLU A 79 8.642 -15.541 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.659 -14.149 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.718 -12.955 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.770 -14.335 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.076 -14.783 5.204 1.00 0.00 H new ATOM 966 N GLU A 80 6.622 -13.169 3.263 1.00 0.00 N ATOM 967 CA GLU A 80 5.424 -12.862 4.025 1.00 0.00 C ATOM 968 C GLU A 80 4.261 -13.741 3.562 1.00 0.00 C ATOM 969 O GLU A 80 3.287 -13.924 4.291 1.00 0.00 O ATOM 970 CB GLU A 80 5.069 -11.379 3.914 1.00 0.00 C ATOM 971 CG GLU A 80 3.959 -11.005 4.900 1.00 0.00 C ATOM 972 CD GLU A 80 3.519 -9.553 4.706 1.00 0.00 C ATOM 973 OE1 GLU A 80 2.782 -9.011 5.543 1.00 0.00 O ATOM 974 OE2 GLU A 80 3.972 -8.984 3.640 1.00 0.00 O ATOM 0 H GLU A 80 6.889 -12.457 2.583 1.00 0.00 H new ATOM 0 HA GLU A 80 5.620 -13.077 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.954 -10.774 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.748 -11.153 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.106 -11.669 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.312 -11.148 5.921 1.00 0.00 H new ATOM 982 N LEU A 81 4.400 -14.262 2.351 1.00 0.00 N ATOM 983 CA LEU A 81 3.372 -15.117 1.782 1.00 0.00 C ATOM 984 C LEU A 81 3.562 -16.546 2.294 1.00 0.00 C ATOM 985 O LEU A 81 2.639 -17.357 2.240 1.00 0.00 O ATOM 986 CB LEU A 81 3.368 -15.006 0.256 1.00 0.00 C ATOM 987 CG LEU A 81 2.599 -13.820 -0.329 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.471 -13.944 -1.848 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.237 -13.661 0.350 1.00 0.00 C ATOM 0 H LEU A 81 5.209 -14.108 1.749 1.00 0.00 H new ATOM 0 HA LEU A 81 2.383 -14.791 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.401 -14.948 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.947 -15.924 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 81 3.167 -12.912 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.920 -13.088 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.464 -13.971 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.937 -14.862 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.711 -12.811 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.649 -14.566 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.380 -13.492 1.417 1.00 0.00 H new ATOM 1001 N GLY A 82 4.766 -16.811 2.780 1.00 0.00 N ATOM 1002 CA GLY A 82 5.089 -18.128 3.302 1.00 0.00 C ATOM 1003 C GLY A 82 4.320 -19.218 2.553 1.00 0.00 C ATOM 1004 O GLY A 82 3.751 -20.117 3.171 1.00 0.00 O ATOM 0 H GLY A 82 5.530 -16.136 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.161 -18.306 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.847 -18.172 4.364 1.00 0.00 H new ATOM 1008 N ALA A 83 4.327 -19.103 1.233 1.00 0.00 N ATOM 1009 CA ALA A 83 3.637 -20.067 0.394 1.00 0.00 C ATOM 1010 C ALA A 83 4.652 -20.768 -0.511 1.00 0.00 C ATOM 1011 O ALA A 83 5.501 -20.117 -1.117 1.00 0.00 O ATOM 1012 CB ALA A 83 2.539 -19.358 -0.402 1.00 0.00 C ATOM 0 H ALA A 83 4.800 -18.356 0.724 1.00 0.00 H new ATOM 0 HA ALA A 83 3.156 -20.831 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.021 -20.082 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.828 -18.901 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.985 -18.585 -1.028 1.00 0.00 H new ATOM 1018 N GLU A 84 4.531 -22.086 -0.573 1.00 0.00 N ATOM 1019 CA GLU A 84 5.428 -22.882 -1.393 1.00 0.00 C ATOM 1020 C GLU A 84 4.660 -24.023 -2.064 1.00 0.00 C ATOM 1021 O GLU A 84 5.264 -24.962 -2.582 1.00 0.00 O ATOM 1022 CB GLU A 84 6.596 -23.420 -0.565 1.00 0.00 C ATOM 1023 CG GLU A 84 6.101 -24.358 0.537 1.00 0.00 C ATOM 1024 CD GLU A 84 5.819 -23.587 1.828 1.00 0.00 C ATOM 1025 OE1 GLU A 84 4.658 -23.492 2.252 1.00 0.00 O ATOM 1026 OE2 GLU A 84 6.858 -23.077 2.397 1.00 0.00 O ATOM 0 H GLU A 84 3.825 -22.623 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 84 5.843 -22.241 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.292 -23.951 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.145 -22.589 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.195 -24.866 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.848 -25.129 0.726 1.00 0.00 H new ATOM 1034 N GLU A 85 3.341 -23.905 -2.034 1.00 0.00 N ATOM 1035 CA GLU A 85 2.485 -24.915 -2.633 1.00 0.00 C ATOM 1036 C GLU A 85 1.016 -24.606 -2.341 1.00 0.00 C ATOM 1037 O GLU A 85 0.705 -23.898 -1.384 1.00 0.00 O ATOM 1038 CB GLU A 85 2.861 -26.314 -2.141 1.00 0.00 C ATOM 1039 CG GLU A 85 1.955 -27.376 -2.767 1.00 0.00 C ATOM 1040 CD GLU A 85 2.611 -28.758 -2.710 1.00 0.00 C ATOM 1041 OE1 GLU A 85 1.909 -29.779 -2.749 1.00 0.00 O ATOM 1042 OE2 GLU A 85 3.898 -28.747 -2.623 1.00 0.00 O ATOM 0 H GLU A 85 2.844 -23.125 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 85 2.632 -24.895 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.901 -26.524 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.780 -26.356 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.000 -27.401 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.742 -27.113 -3.803 1.00 0.00 H new ATOM 1050 N CYS A 86 0.150 -25.153 -3.182 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.279 -24.946 -3.025 1.00 0.00 C ATOM 1052 C CYS A 86 -1.886 -26.215 -2.425 1.00 0.00 C ATOM 1053 O CYS A 86 -2.370 -27.081 -3.154 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.944 -24.566 -4.350 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.760 -24.749 -4.214 1.00 0.00 S ATOM 0 H CYS A 86 0.411 -25.740 -3.975 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.456 -24.107 -2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.692 -23.538 -4.611 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.565 -25.200 -5.152 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.149 -25.760 -4.933 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.841 -26.287 -1.103 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.381 -27.437 -0.397 1.00 0.00 C ATOM 1062 C PHE A 87 -3.853 -27.656 -0.751 1.00 0.00 C ATOM 1063 O PHE A 87 -4.368 -28.765 -0.620 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.268 -27.136 1.099 1.00 0.00 C ATOM 1065 CG PHE A 87 -0.843 -26.832 1.567 1.00 0.00 C ATOM 1066 CD1 PHE A 87 0.127 -27.778 1.451 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -0.547 -25.616 2.098 1.00 0.00 C ATOM 1068 CE1 PHE A 87 1.449 -27.496 1.885 1.00 0.00 C ATOM 1069 CE2 PHE A 87 0.775 -25.334 2.532 1.00 0.00 C ATOM 1070 CZ PHE A 87 1.745 -26.280 2.417 1.00 0.00 C ATOM 0 H PHE A 87 -1.439 -25.568 -0.502 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.831 -28.336 -0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.907 -26.286 1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.650 -27.989 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.108 -28.744 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.317 -24.865 2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.220 -28.247 1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.010 -24.368 2.954 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.750 -26.066 2.748 1.00 0.00 H new ATOM 1080 N SER A 88 -4.489 -26.581 -1.194 1.00 0.00 N ATOM 1081 CA SER A 88 -5.891 -26.643 -1.568 1.00 0.00 C ATOM 1082 C SER A 88 -6.074 -27.579 -2.764 1.00 0.00 C ATOM 1083 O SER A 88 -7.191 -27.997 -3.066 1.00 0.00 O ATOM 1084 CB SER A 88 -6.435 -25.251 -1.896 1.00 0.00 C ATOM 1085 OG SER A 88 -7.845 -25.263 -2.103 1.00 0.00 O ATOM 0 H SER A 88 -4.059 -25.663 -1.302 1.00 0.00 H new ATOM 0 HA SER A 88 -6.454 -27.034 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.194 -24.567 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.941 -24.870 -2.790 1.00 0.00 H new ATOM 0 HG SER A 88 -8.120 -26.144 -2.432 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.959 -27.882 -3.413 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.981 -28.761 -4.569 1.00 0.00 C ATOM 1093 C CYS A 89 -5.616 -30.089 -4.151 1.00 0.00 C ATOM 1094 O CYS A 89 -6.063 -30.862 -4.997 1.00 0.00 O ATOM 1095 CB CYS A 89 -3.583 -28.957 -5.158 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.307 -27.771 -6.524 1.00 0.00 S ATOM 0 H CYS A 89 -4.034 -27.534 -3.160 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.577 -28.308 -5.362 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.830 -28.814 -4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.474 -29.978 -5.524 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.116 -27.945 -7.016 1.00 0.00 H new