USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 430 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 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 SER OG : rot -17:sc= 0.476 USER MOD Single : A 10 TYR OH : rot 20:sc= 0.00775 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0262 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -130:sc= -5.76! (180deg=-11!) USER MOD Single : A 21 LYS NZ :NH3+ -96:sc= -0.842 (180deg=-1.29) USER MOD Single : A 22 SER OG : rot 180:sc= -0.139 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.125 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 90:sc= -0.797 USER MOD Single : A 40 LYS NZ :NH3+ 139:sc= -0.262 (180deg=-1.82!) USER MOD Single : A 41 LYS NZ :NH3+ -140:sc= -0.0635 (180deg=-0.993) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 5 0.705 -33.181 5.247 1.00 0.00 N ATOM 61 CA ASP A 5 0.154 -32.212 6.237 1.00 0.00 C ATOM 62 C ASP A 5 -1.165 -31.629 5.724 1.00 0.00 C ATOM 63 O ASP A 5 -1.307 -31.331 4.556 1.00 0.00 O ATOM 64 CB ASP A 5 1.216 -31.116 6.354 1.00 0.00 C ATOM 65 CG ASP A 5 2.604 -31.757 6.446 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.902 -32.330 7.480 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.343 -31.663 5.480 1.00 0.00 O ATOM 0 HA ASP A 5 -0.056 -32.678 7.200 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.166 -30.453 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.027 -30.504 7.236 1.00 0.00 H new ATOM 72 N CYS A 6 -2.130 -31.467 6.587 1.00 0.00 N ATOM 73 CA CYS A 6 -3.440 -30.904 6.143 1.00 0.00 C ATOM 74 C CYS A 6 -4.072 -30.082 7.270 1.00 0.00 C ATOM 75 O CYS A 6 -3.922 -30.392 8.435 1.00 0.00 O ATOM 76 CB CYS A 6 -4.305 -32.123 5.821 1.00 0.00 C ATOM 77 SG CYS A 6 -3.607 -33.005 4.403 1.00 0.00 S ATOM 0 H CYS A 6 -2.070 -31.699 7.578 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.334 -30.239 5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.354 -32.785 6.685 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.325 -31.810 5.601 1.00 0.00 H new ATOM 82 N CYS A 7 -4.782 -29.038 6.934 1.00 0.00 N ATOM 83 CA CYS A 7 -5.421 -28.203 7.986 1.00 0.00 C ATOM 84 C CYS A 7 -6.833 -28.716 8.284 1.00 0.00 C ATOM 85 O CYS A 7 -7.574 -29.075 7.392 1.00 0.00 O ATOM 86 CB CYS A 7 -5.482 -26.797 7.388 1.00 0.00 C ATOM 87 SG CYS A 7 -4.033 -25.845 7.915 1.00 0.00 S ATOM 0 H CYS A 7 -4.946 -28.729 5.976 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.868 -28.227 8.925 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.515 -26.855 6.300 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.395 -26.295 7.708 1.00 0.00 H new ATOM 92 N THR A 8 -7.211 -28.744 9.531 1.00 0.00 N ATOM 93 CA THR A 8 -8.578 -29.224 9.885 1.00 0.00 C ATOM 94 C THR A 8 -9.518 -28.027 10.043 1.00 0.00 C ATOM 95 O THR A 8 -10.721 -28.173 10.136 1.00 0.00 O ATOM 96 CB THR A 8 -8.409 -29.957 11.218 1.00 0.00 C ATOM 97 OG1 THR A 8 -8.234 -29.007 12.260 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.186 -30.872 11.148 1.00 0.00 C ATOM 0 H THR A 8 -6.634 -28.456 10.321 1.00 0.00 H new ATOM 0 HA THR A 8 -9.006 -29.873 9.121 1.00 0.00 H new ATOM 0 HB THR A 8 -9.297 -30.557 11.418 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.127 -29.475 13.115 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.067 -31.393 12.098 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.322 -31.601 10.349 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.296 -30.275 10.947 1.00 0.00 H new ATOM 106 N SER A 9 -8.973 -26.843 10.068 1.00 0.00 N ATOM 107 CA SER A 9 -9.816 -25.623 10.211 1.00 0.00 C ATOM 108 C SER A 9 -9.000 -24.393 9.809 1.00 0.00 C ATOM 109 O SER A 9 -8.083 -24.483 9.018 1.00 0.00 O ATOM 110 CB SER A 9 -10.185 -25.566 11.694 1.00 0.00 C ATOM 111 OG SER A 9 -10.948 -26.713 12.038 1.00 0.00 O ATOM 0 H SER A 9 -7.971 -26.667 9.995 1.00 0.00 H new ATOM 0 HA SER A 9 -10.704 -25.646 9.579 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.282 -25.521 12.303 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.755 -24.661 11.903 1.00 0.00 H new ATOM 0 HG SER A 9 -11.298 -27.130 11.223 1.00 0.00 H new ATOM 117 N TYR A 10 -9.316 -23.248 10.346 1.00 0.00 N ATOM 118 CA TYR A 10 -8.544 -22.024 9.987 1.00 0.00 C ATOM 119 C TYR A 10 -8.509 -21.054 11.173 1.00 0.00 C ATOM 120 O TYR A 10 -9.337 -21.112 12.059 1.00 0.00 O ATOM 121 CB TYR A 10 -9.294 -21.414 8.801 1.00 0.00 C ATOM 122 CG TYR A 10 -9.286 -22.394 7.650 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.072 -22.804 7.084 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.494 -22.900 7.153 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.065 -23.717 6.022 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.488 -23.812 6.091 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.273 -24.220 5.525 1.00 0.00 C ATOM 128 OH TYR A 10 -9.268 -25.120 4.480 1.00 0.00 O ATOM 0 H TYR A 10 -10.072 -23.106 11.016 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.507 -22.246 9.735 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.319 -21.178 9.086 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.823 -20.478 8.500 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.140 -22.415 7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.431 -22.586 7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.128 -24.033 5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.420 -24.201 5.708 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.382 -25.533 4.408 1.00 0.00 H new ATOM 138 N ILE A 11 -7.549 -20.171 11.197 1.00 0.00 N ATOM 139 CA ILE A 11 -7.450 -19.204 12.326 1.00 0.00 C ATOM 140 C ILE A 11 -8.763 -18.426 12.467 1.00 0.00 C ATOM 141 O ILE A 11 -9.596 -18.432 11.582 1.00 0.00 O ATOM 142 CB ILE A 11 -6.292 -18.264 11.967 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.739 -17.281 10.881 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.091 -19.064 11.465 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.943 -18.022 9.558 1.00 0.00 C ATOM 0 H ILE A 11 -6.828 -20.077 10.482 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.272 -19.703 13.279 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.002 -17.713 12.862 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.666 -16.792 11.180 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.991 -16.498 10.757 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.278 -18.382 11.215 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.761 -19.752 12.244 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.376 -19.630 10.578 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.261 -17.316 8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.006 -18.490 9.255 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.707 -18.789 9.685 1.00 0.00 H new ATOM 157 N SER A 12 -8.960 -17.771 13.578 1.00 0.00 N ATOM 158 CA SER A 12 -10.224 -17.007 13.784 1.00 0.00 C ATOM 159 C SER A 12 -10.066 -15.553 13.325 1.00 0.00 C ATOM 160 O SER A 12 -10.971 -14.753 13.451 1.00 0.00 O ATOM 161 CB SER A 12 -10.470 -17.078 15.291 1.00 0.00 C ATOM 162 OG SER A 12 -10.494 -15.766 15.836 1.00 0.00 O ATOM 0 H SER A 12 -8.299 -17.732 14.354 1.00 0.00 H new ATOM 0 HA SER A 12 -11.054 -17.417 13.208 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.415 -17.582 15.491 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.687 -17.666 15.769 1.00 0.00 H new ATOM 0 HG SER A 12 -10.654 -15.816 16.802 1.00 0.00 H new ATOM 168 N GLN A 13 -8.927 -15.203 12.795 1.00 0.00 N ATOM 169 CA GLN A 13 -8.723 -13.798 12.331 1.00 0.00 C ATOM 170 C GLN A 13 -7.650 -13.754 11.241 1.00 0.00 C ATOM 171 O GLN A 13 -7.094 -14.762 10.867 1.00 0.00 O ATOM 172 CB GLN A 13 -8.257 -13.035 13.571 1.00 0.00 C ATOM 173 CG GLN A 13 -6.850 -13.499 13.956 1.00 0.00 C ATOM 174 CD GLN A 13 -6.268 -12.547 15.003 1.00 0.00 C ATOM 175 OE1 GLN A 13 -6.986 -12.016 15.825 1.00 0.00 O ATOM 176 NE2 GLN A 13 -4.985 -12.307 15.007 1.00 0.00 N ATOM 0 H GLN A 13 -8.130 -15.825 12.662 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.629 -13.368 11.904 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.257 -11.963 13.373 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.947 -13.206 14.397 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.886 -14.514 14.352 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.209 -13.523 13.074 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.381 -12.753 14.317 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.587 -11.674 15.700 1.00 0.00 H new ATOM 185 N SER A 14 -7.350 -12.595 10.729 1.00 0.00 N ATOM 186 CA SER A 14 -6.308 -12.507 9.669 1.00 0.00 C ATOM 187 C SER A 14 -5.033 -13.217 10.133 1.00 0.00 C ATOM 188 O SER A 14 -4.678 -13.176 11.294 1.00 0.00 O ATOM 189 CB SER A 14 -6.052 -11.010 9.486 1.00 0.00 C ATOM 190 OG SER A 14 -4.747 -10.813 8.964 1.00 0.00 O ATOM 0 H SER A 14 -7.778 -11.709 10.996 1.00 0.00 H new ATOM 0 HA SER A 14 -6.620 -12.981 8.738 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.794 -10.583 8.811 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.155 -10.493 10.440 1.00 0.00 H new ATOM 0 HG SER A 14 -4.583 -9.854 8.845 1.00 0.00 H new ATOM 196 N ILE A 15 -4.337 -13.867 9.238 1.00 0.00 N ATOM 197 CA ILE A 15 -3.085 -14.569 9.644 1.00 0.00 C ATOM 198 C ILE A 15 -2.007 -13.539 9.985 1.00 0.00 C ATOM 199 O ILE A 15 -1.850 -12.554 9.292 1.00 0.00 O ATOM 200 CB ILE A 15 -2.665 -15.383 8.420 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.605 -16.585 8.252 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.219 -15.865 8.600 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.220 -17.699 9.230 1.00 0.00 C ATOM 0 H ILE A 15 -4.579 -13.942 8.250 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.230 -15.200 10.521 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.726 -14.760 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.636 -16.277 8.428 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.553 -16.956 7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.918 -16.446 7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.559 -15.004 8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.152 -16.488 9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.894 -18.546 9.101 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.196 -18.017 9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.295 -17.328 10.252 1.00 0.00 H new ATOM 215 N PRO A 16 -1.303 -13.798 11.048 1.00 0.00 N ATOM 216 CA PRO A 16 -0.231 -12.880 11.491 1.00 0.00 C ATOM 217 C PRO A 16 1.020 -13.058 10.629 1.00 0.00 C ATOM 218 O PRO A 16 1.908 -13.814 10.964 1.00 0.00 O ATOM 219 CB PRO A 16 0.045 -13.317 12.923 1.00 0.00 C ATOM 220 CG PRO A 16 -0.375 -14.753 12.981 1.00 0.00 C ATOM 221 CD PRO A 16 -1.439 -14.961 11.931 1.00 0.00 C ATOM 0 HA PRO A 16 -0.512 -11.830 11.411 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.100 -13.205 13.173 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.517 -12.713 13.635 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.476 -15.408 12.798 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.760 -14.999 13.970 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.286 -15.894 11.388 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.433 -15.010 12.375 1.00 0.00 H new ATOM 229 N CYS A 17 1.102 -12.363 9.529 1.00 0.00 N ATOM 230 CA CYS A 17 2.309 -12.490 8.662 1.00 0.00 C ATOM 231 C CYS A 17 3.547 -12.045 9.449 1.00 0.00 C ATOM 232 O CYS A 17 4.647 -12.515 9.227 1.00 0.00 O ATOM 233 CB CYS A 17 2.073 -11.538 7.487 1.00 0.00 C ATOM 234 SG CYS A 17 0.433 -11.814 6.768 1.00 0.00 S ATOM 0 H CYS A 17 0.390 -11.715 9.193 1.00 0.00 H new ATOM 0 HA CYS A 17 2.469 -13.515 8.326 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.160 -10.505 7.825 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.840 -11.690 6.728 1.00 0.00 H new ATOM 239 N SER A 18 3.364 -11.139 10.376 1.00 0.00 N ATOM 240 CA SER A 18 4.514 -10.642 11.190 1.00 0.00 C ATOM 241 C SER A 18 5.039 -11.732 12.133 1.00 0.00 C ATOM 242 O SER A 18 5.934 -11.501 12.920 1.00 0.00 O ATOM 243 CB SER A 18 3.948 -9.472 11.993 1.00 0.00 C ATOM 244 OG SER A 18 4.728 -8.311 11.750 1.00 0.00 O ATOM 0 H SER A 18 2.463 -10.720 10.605 1.00 0.00 H new ATOM 0 HA SER A 18 5.355 -10.349 10.562 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.911 -9.292 11.712 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.953 -9.711 13.057 1.00 0.00 H new ATOM 0 HG SER A 18 4.365 -7.559 12.263 1.00 0.00 H new ATOM 250 N LEU A 19 4.497 -12.914 12.062 1.00 0.00 N ATOM 251 CA LEU A 19 4.972 -14.005 12.952 1.00 0.00 C ATOM 252 C LEU A 19 5.169 -15.287 12.143 1.00 0.00 C ATOM 253 O LEU A 19 5.003 -16.380 12.647 1.00 0.00 O ATOM 254 CB LEU A 19 3.859 -14.187 13.984 1.00 0.00 C ATOM 255 CG LEU A 19 4.299 -13.590 15.322 1.00 0.00 C ATOM 256 CD1 LEU A 19 3.422 -12.383 15.656 1.00 0.00 C ATOM 257 CD2 LEU A 19 4.152 -14.642 16.423 1.00 0.00 C ATOM 0 H LEU A 19 3.744 -13.171 11.424 1.00 0.00 H new ATOM 0 HA LEU A 19 5.927 -13.773 13.423 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.946 -13.701 13.640 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.630 -15.246 14.104 1.00 0.00 H new ATOM 0 HG LEU A 19 5.341 -13.276 15.253 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.736 -11.958 16.609 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.523 -11.632 14.873 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.381 -12.698 15.724 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.465 -14.217 17.377 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.110 -14.955 16.490 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.776 -15.504 16.188 1.00 0.00 H new ATOM 269 N MET A 20 5.524 -15.167 10.889 1.00 0.00 N ATOM 270 CA MET A 20 5.728 -16.392 10.063 1.00 0.00 C ATOM 271 C MET A 20 6.974 -16.250 9.191 1.00 0.00 C ATOM 272 O MET A 20 7.176 -15.251 8.528 1.00 0.00 O ATOM 273 CB MET A 20 4.492 -16.512 9.167 1.00 0.00 C ATOM 274 CG MET A 20 3.225 -16.127 9.936 1.00 0.00 C ATOM 275 SD MET A 20 2.756 -17.473 11.050 1.00 0.00 S ATOM 276 CE MET A 20 0.963 -17.289 10.882 1.00 0.00 C ATOM 0 H MET A 20 5.680 -14.282 10.406 1.00 0.00 H new ATOM 0 HA MET A 20 5.863 -17.270 10.695 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.605 -15.867 8.296 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.403 -17.534 8.798 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.397 -15.214 10.506 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.413 -15.920 9.239 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.507 -17.253 11.871 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.741 -16.367 10.346 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.561 -18.137 10.328 1.00 0.00 H new ATOM 286 N LYS A 21 7.803 -17.252 9.182 1.00 0.00 N ATOM 287 CA LYS A 21 9.035 -17.200 8.349 1.00 0.00 C ATOM 288 C LYS A 21 8.798 -17.915 7.016 1.00 0.00 C ATOM 289 O LYS A 21 9.435 -17.621 6.025 1.00 0.00 O ATOM 290 CB LYS A 21 10.101 -17.929 9.167 1.00 0.00 C ATOM 291 CG LYS A 21 9.685 -19.388 9.364 1.00 0.00 C ATOM 292 CD LYS A 21 10.525 -20.287 8.456 1.00 0.00 C ATOM 293 CE LYS A 21 11.139 -21.417 9.283 1.00 0.00 C ATOM 294 NZ LYS A 21 10.318 -22.617 8.956 1.00 0.00 N ATOM 0 H LYS A 21 7.681 -18.111 9.719 1.00 0.00 H new ATOM 0 HA LYS A 21 9.333 -16.178 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.063 -17.880 8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.228 -17.442 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.820 -19.678 10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.626 -19.509 9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.904 -20.700 7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.312 -19.704 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.187 -21.572 9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.103 -21.192 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.581 -22.741 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.871 -22.489 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.928 -23.459 8.934 1.00 0.00 H new ATOM 308 N SER A 22 7.890 -18.857 6.982 1.00 0.00 N ATOM 309 CA SER A 22 7.631 -19.584 5.703 1.00 0.00 C ATOM 310 C SER A 22 6.153 -19.966 5.590 1.00 0.00 C ATOM 311 O SER A 22 5.389 -19.809 6.517 1.00 0.00 O ATOM 312 CB SER A 22 8.504 -20.836 5.780 1.00 0.00 C ATOM 313 OG SER A 22 8.311 -21.622 4.613 1.00 0.00 O ATOM 0 H SER A 22 7.322 -19.152 7.776 1.00 0.00 H new ATOM 0 HA SER A 22 7.863 -18.974 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.553 -20.555 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.250 -21.415 6.667 1.00 0.00 H new ATOM 0 HG SER A 22 8.872 -22.424 4.662 1.00 0.00 H new ATOM 319 N TYR A 23 5.748 -20.464 4.451 1.00 0.00 N ATOM 320 CA TYR A 23 4.321 -20.865 4.267 1.00 0.00 C ATOM 321 C TYR A 23 4.239 -22.021 3.265 1.00 0.00 C ATOM 322 O TYR A 23 5.006 -22.083 2.325 1.00 0.00 O ATOM 323 CB TYR A 23 3.622 -19.613 3.720 1.00 0.00 C ATOM 324 CG TYR A 23 4.009 -19.390 2.273 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.495 -20.224 1.271 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.879 -18.345 1.932 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.850 -20.014 -0.067 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.233 -18.137 0.594 1.00 0.00 C ATOM 329 CZ TYR A 23 4.719 -18.970 -0.405 1.00 0.00 C ATOM 330 OH TYR A 23 5.069 -18.763 -1.724 1.00 0.00 O ATOM 0 H TYR A 23 6.346 -20.611 3.638 1.00 0.00 H new ATOM 0 HA TYR A 23 3.856 -21.208 5.191 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.541 -19.726 3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.898 -18.743 4.316 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.824 -21.030 1.531 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.276 -17.700 2.702 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.453 -20.658 -0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.904 -17.332 0.333 1.00 0.00 H new ATOM 0 HH TYR A 23 5.678 -17.998 -1.785 1.00 0.00 H new ATOM 340 N PHE A 24 3.325 -22.941 3.444 1.00 0.00 N ATOM 341 CA PHE A 24 3.239 -24.071 2.470 1.00 0.00 C ATOM 342 C PHE A 24 1.798 -24.559 2.317 1.00 0.00 C ATOM 343 O PHE A 24 1.029 -24.568 3.256 1.00 0.00 O ATOM 344 CB PHE A 24 4.139 -25.175 3.046 1.00 0.00 C ATOM 345 CG PHE A 24 3.385 -26.005 4.064 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.480 -26.992 3.643 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.600 -25.794 5.433 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.793 -27.762 4.589 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.913 -26.567 6.378 1.00 0.00 C ATOM 350 CZ PHE A 24 2.010 -27.551 5.955 1.00 0.00 C ATOM 0 H PHE A 24 2.647 -22.960 4.206 1.00 0.00 H new ATOM 0 HA PHE A 24 3.561 -23.768 1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.497 -25.816 2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.017 -24.728 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.314 -27.157 2.589 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.296 -25.035 5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.095 -28.519 4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.080 -26.404 7.433 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.481 -28.147 6.684 1.00 0.00 H new ATOM 360 N GLU A 25 1.434 -24.976 1.136 1.00 0.00 N ATOM 361 CA GLU A 25 0.051 -25.478 0.913 1.00 0.00 C ATOM 362 C GLU A 25 0.009 -26.985 1.171 1.00 0.00 C ATOM 363 O GLU A 25 0.992 -27.678 0.997 1.00 0.00 O ATOM 364 CB GLU A 25 -0.252 -25.175 -0.555 1.00 0.00 C ATOM 365 CG GLU A 25 -0.478 -23.672 -0.730 1.00 0.00 C ATOM 366 CD GLU A 25 -1.659 -23.440 -1.675 1.00 0.00 C ATOM 367 OE1 GLU A 25 -2.626 -24.177 -1.575 1.00 0.00 O ATOM 368 OE2 GLU A 25 -1.577 -22.528 -2.481 1.00 0.00 O ATOM 0 H GLU A 25 2.037 -24.990 0.314 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.677 -25.012 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.575 -25.505 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.136 -25.726 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.675 -23.208 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.420 -23.203 -1.131 1.00 0.00 H new ATOM 375 N THR A 26 -1.111 -27.496 1.589 1.00 0.00 N ATOM 376 CA THR A 26 -1.197 -28.957 1.861 1.00 0.00 C ATOM 377 C THR A 26 -1.429 -29.723 0.555 1.00 0.00 C ATOM 378 O THR A 26 -1.547 -29.140 -0.504 1.00 0.00 O ATOM 379 CB THR A 26 -2.394 -29.115 2.800 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.599 -28.965 2.062 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.329 -28.050 3.896 1.00 0.00 C ATOM 0 H THR A 26 -1.969 -26.969 1.754 1.00 0.00 H new ATOM 0 HA THR A 26 -0.281 -29.352 2.301 1.00 0.00 H new ATOM 0 HB THR A 26 -2.369 -30.105 3.256 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.366 -29.068 2.663 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.182 -28.163 4.565 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.406 -28.167 4.463 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.353 -27.059 3.442 1.00 0.00 H new ATOM 389 N SER A 27 -1.495 -31.025 0.622 1.00 0.00 N ATOM 390 CA SER A 27 -1.718 -31.823 -0.618 1.00 0.00 C ATOM 391 C SER A 27 -3.206 -31.837 -0.978 1.00 0.00 C ATOM 392 O SER A 27 -4.057 -31.996 -0.126 1.00 0.00 O ATOM 393 CB SER A 27 -1.243 -33.235 -0.275 1.00 0.00 C ATOM 394 OG SER A 27 0.103 -33.190 0.179 1.00 0.00 O ATOM 0 H SER A 27 -1.404 -31.570 1.480 1.00 0.00 H new ATOM 0 HA SER A 27 -1.185 -31.408 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.882 -33.667 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.320 -33.878 -1.152 1.00 0.00 H new ATOM 0 HG SER A 27 0.404 -34.096 0.400 1.00 0.00 H new ATOM 400 N SER A 28 -3.525 -31.675 -2.232 1.00 0.00 N ATOM 401 CA SER A 28 -4.958 -31.686 -2.640 1.00 0.00 C ATOM 402 C SER A 28 -5.546 -33.087 -2.454 1.00 0.00 C ATOM 403 O SER A 28 -6.735 -33.297 -2.591 1.00 0.00 O ATOM 404 CB SER A 28 -4.955 -31.296 -4.118 1.00 0.00 C ATOM 405 OG SER A 28 -4.603 -32.425 -4.905 1.00 0.00 O ATOM 0 H SER A 28 -2.857 -31.536 -2.990 1.00 0.00 H new ATOM 0 HA SER A 28 -5.563 -31.004 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.939 -30.928 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.247 -30.485 -4.290 1.00 0.00 H new ATOM 0 HG SER A 28 -4.603 -32.176 -5.853 1.00 0.00 H new ATOM 411 N GLU A 29 -4.718 -34.042 -2.139 1.00 0.00 N ATOM 412 CA GLU A 29 -5.220 -35.431 -1.938 1.00 0.00 C ATOM 413 C GLU A 29 -5.990 -35.523 -0.619 1.00 0.00 C ATOM 414 O GLU A 29 -6.764 -36.434 -0.400 1.00 0.00 O ATOM 415 CB GLU A 29 -3.965 -36.302 -1.890 1.00 0.00 C ATOM 416 CG GLU A 29 -4.366 -37.779 -1.879 1.00 0.00 C ATOM 417 CD GLU A 29 -3.663 -38.508 -3.027 1.00 0.00 C ATOM 418 OE1 GLU A 29 -2.461 -38.695 -2.935 1.00 0.00 O ATOM 419 OE2 GLU A 29 -4.339 -38.866 -3.977 1.00 0.00 O ATOM 0 H GLU A 29 -3.713 -33.922 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.902 -35.745 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.332 -36.093 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.380 -36.067 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.095 -38.233 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.447 -37.874 -1.982 1.00 0.00 H new ATOM 426 N CYS A 30 -5.784 -34.582 0.262 1.00 0.00 N ATOM 427 CA CYS A 30 -6.503 -34.610 1.567 1.00 0.00 C ATOM 428 C CYS A 30 -7.982 -34.274 1.361 1.00 0.00 C ATOM 429 O CYS A 30 -8.378 -33.793 0.317 1.00 0.00 O ATOM 430 CB CYS A 30 -5.823 -33.536 2.415 1.00 0.00 C ATOM 431 SG CYS A 30 -5.059 -34.303 3.865 1.00 0.00 S ATOM 0 H CYS A 30 -5.148 -33.795 0.134 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.463 -35.591 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.068 -33.016 1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.553 -32.789 2.728 1.00 0.00 H new ATOM 436 N SER A 31 -8.802 -34.524 2.344 1.00 0.00 N ATOM 437 CA SER A 31 -10.255 -34.217 2.198 1.00 0.00 C ATOM 438 C SER A 31 -10.455 -32.728 1.931 1.00 0.00 C ATOM 439 O SER A 31 -11.427 -32.314 1.329 1.00 0.00 O ATOM 440 CB SER A 31 -10.885 -34.607 3.535 1.00 0.00 C ATOM 441 OG SER A 31 -9.935 -34.440 4.578 1.00 0.00 O ATOM 0 H SER A 31 -8.531 -34.927 3.241 1.00 0.00 H new ATOM 0 HA SER A 31 -10.705 -34.755 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.763 -33.991 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.223 -35.643 3.500 1.00 0.00 H new ATOM 0 HG SER A 31 -10.342 -34.689 5.434 1.00 0.00 H new ATOM 447 N LYS A 32 -9.540 -31.926 2.377 1.00 0.00 N ATOM 448 CA LYS A 32 -9.657 -30.454 2.162 1.00 0.00 C ATOM 449 C LYS A 32 -8.268 -29.812 2.099 1.00 0.00 C ATOM 450 O LYS A 32 -7.396 -30.136 2.881 1.00 0.00 O ATOM 451 CB LYS A 32 -10.429 -29.939 3.377 1.00 0.00 C ATOM 452 CG LYS A 32 -9.757 -30.444 4.657 1.00 0.00 C ATOM 453 CD LYS A 32 -10.733 -30.318 5.827 1.00 0.00 C ATOM 454 CE LYS A 32 -11.275 -28.889 5.887 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.470 -28.970 6.772 1.00 0.00 N ATOM 0 H LYS A 32 -8.707 -32.223 2.886 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.159 -30.213 1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.453 -28.849 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.463 -30.281 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.451 -31.483 4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.854 -29.868 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.554 -31.025 5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.231 -30.568 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.531 -28.201 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.542 -28.526 4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.899 -28.027 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.163 -29.627 6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.184 -29.312 7.711 1.00 0.00 H new ATOM 469 N PRO A 33 -8.112 -28.915 1.163 1.00 0.00 N ATOM 470 CA PRO A 33 -6.818 -28.208 0.990 1.00 0.00 C ATOM 471 C PRO A 33 -6.608 -27.194 2.118 1.00 0.00 C ATOM 472 O PRO A 33 -7.332 -27.180 3.095 1.00 0.00 O ATOM 473 CB PRO A 33 -6.972 -27.504 -0.354 1.00 0.00 C ATOM 474 CG PRO A 33 -8.449 -27.336 -0.537 1.00 0.00 C ATOM 475 CD PRO A 33 -9.117 -28.478 0.187 1.00 0.00 C ATOM 0 HA PRO A 33 -5.957 -28.876 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.462 -26.541 -0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.539 -28.095 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.781 -26.378 -0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.710 -27.345 -1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.036 -28.157 0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.385 -29.283 -0.498 1.00 0.00 H new ATOM 483 N GLY A 34 -5.624 -26.343 1.994 1.00 0.00 N ATOM 484 CA GLY A 34 -5.373 -25.333 3.061 1.00 0.00 C ATOM 485 C GLY A 34 -3.927 -24.837 2.974 1.00 0.00 C ATOM 486 O GLY A 34 -3.141 -25.318 2.185 1.00 0.00 O ATOM 0 H GLY A 34 -4.984 -26.304 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.062 -24.495 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.558 -25.772 4.041 1.00 0.00 H new ATOM 490 N VAL A 35 -3.573 -23.876 3.783 1.00 0.00 N ATOM 491 CA VAL A 35 -2.179 -23.344 3.759 1.00 0.00 C ATOM 492 C VAL A 35 -1.666 -23.187 5.193 1.00 0.00 C ATOM 493 O VAL A 35 -2.200 -22.421 5.966 1.00 0.00 O ATOM 494 CB VAL A 35 -2.287 -21.982 3.070 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.029 -21.158 3.356 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.431 -22.187 1.561 1.00 0.00 C ATOM 0 H VAL A 35 -4.192 -23.434 4.463 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.485 -24.003 3.238 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.159 -21.451 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.109 -20.189 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.927 -21.012 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.154 -21.686 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.508 -21.218 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.559 -22.719 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.329 -22.770 1.357 1.00 0.00 H new ATOM 506 N ILE A 36 -0.641 -23.904 5.561 1.00 0.00 N ATOM 507 CA ILE A 36 -0.122 -23.784 6.951 1.00 0.00 C ATOM 508 C ILE A 36 1.102 -22.871 6.980 1.00 0.00 C ATOM 509 O ILE A 36 2.047 -23.056 6.238 1.00 0.00 O ATOM 510 CB ILE A 36 0.253 -25.211 7.364 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.007 -25.953 7.825 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.275 -25.172 8.508 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.613 -27.211 8.605 1.00 0.00 C ATOM 0 H ILE A 36 -0.143 -24.564 4.963 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.855 -23.348 7.630 1.00 0.00 H new ATOM 0 HB ILE A 36 0.692 -25.730 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.615 -25.301 8.452 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.616 -26.225 6.963 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.537 -26.190 8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.171 -24.646 8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.844 -24.652 9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.512 -27.734 8.930 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.023 -27.867 7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.022 -26.929 9.477 1.00 0.00 H new ATOM 525 N PHE A 37 1.098 -21.896 7.840 1.00 0.00 N ATOM 526 CA PHE A 37 2.268 -20.984 7.924 1.00 0.00 C ATOM 527 C PHE A 37 3.215 -21.469 9.024 1.00 0.00 C ATOM 528 O PHE A 37 2.792 -21.814 10.110 1.00 0.00 O ATOM 529 CB PHE A 37 1.691 -19.614 8.291 1.00 0.00 C ATOM 530 CG PHE A 37 1.037 -18.991 7.082 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.294 -19.294 6.771 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.760 -18.108 6.271 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.902 -18.713 5.653 1.00 0.00 C ATOM 534 CE2 PHE A 37 1.153 -17.528 5.152 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.177 -17.831 4.841 1.00 0.00 C ATOM 0 H PHE A 37 0.337 -21.691 8.488 1.00 0.00 H new ATOM 0 HA PHE A 37 2.832 -20.947 6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.963 -19.720 9.095 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.483 -18.964 8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.852 -19.977 7.395 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.787 -17.874 6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.930 -18.944 5.416 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.711 -16.846 4.528 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.645 -17.385 3.975 1.00 0.00 H new ATOM 545 N LEU A 38 4.489 -21.489 8.761 1.00 0.00 N ATOM 546 CA LEU A 38 5.451 -21.940 9.802 1.00 0.00 C ATOM 547 C LEU A 38 6.032 -20.720 10.509 1.00 0.00 C ATOM 548 O LEU A 38 6.563 -19.822 9.882 1.00 0.00 O ATOM 549 CB LEU A 38 6.540 -22.700 9.046 1.00 0.00 C ATOM 550 CG LEU A 38 6.750 -24.068 9.698 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.403 -24.782 9.827 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.692 -24.908 8.835 1.00 0.00 C ATOM 0 H LEU A 38 4.906 -21.213 7.872 1.00 0.00 H new ATOM 0 HA LEU A 38 4.987 -22.569 10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.255 -22.823 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.470 -22.132 9.058 1.00 0.00 H new ATOM 0 HG LEU A 38 7.188 -23.935 10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.551 -25.757 10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.732 -24.184 10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.965 -24.914 8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.841 -25.882 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.256 -25.042 7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.652 -24.400 8.743 1.00 0.00 H new ATOM 564 N THR A 39 5.918 -20.673 11.807 1.00 0.00 N ATOM 565 CA THR A 39 6.442 -19.501 12.565 1.00 0.00 C ATOM 566 C THR A 39 7.889 -19.745 12.995 1.00 0.00 C ATOM 567 O THR A 39 8.286 -20.858 13.275 1.00 0.00 O ATOM 568 CB THR A 39 5.543 -19.387 13.801 1.00 0.00 C ATOM 569 OG1 THR A 39 5.966 -20.331 14.776 1.00 0.00 O ATOM 570 CG2 THR A 39 4.088 -19.667 13.420 1.00 0.00 C ATOM 0 H THR A 39 5.483 -21.398 12.378 1.00 0.00 H new ATOM 0 HA THR A 39 6.433 -18.593 11.962 1.00 0.00 H new ATOM 0 HB THR A 39 5.616 -18.378 14.206 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.638 -19.920 15.359 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.458 -19.583 14.305 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.762 -18.944 12.673 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.006 -20.674 13.010 1.00 0.00 H new ATOM 578 N LYS A 40 8.673 -18.706 13.059 1.00 0.00 N ATOM 579 CA LYS A 40 10.091 -18.874 13.484 1.00 0.00 C ATOM 580 C LYS A 40 10.142 -19.317 14.950 1.00 0.00 C ATOM 581 O LYS A 40 11.087 -19.942 15.389 1.00 0.00 O ATOM 582 CB LYS A 40 10.721 -17.490 13.319 1.00 0.00 C ATOM 583 CG LYS A 40 11.834 -17.555 12.271 1.00 0.00 C ATOM 584 CD LYS A 40 12.271 -16.136 11.903 1.00 0.00 C ATOM 585 CE LYS A 40 13.589 -15.808 12.608 1.00 0.00 C ATOM 586 NZ LYS A 40 14.566 -16.796 12.070 1.00 0.00 N ATOM 0 H LYS A 40 8.395 -17.750 12.836 1.00 0.00 H new ATOM 0 HA LYS A 40 10.616 -19.629 12.900 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.963 -16.768 13.015 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.124 -17.147 14.272 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.682 -18.119 12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.482 -18.080 11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.393 -16.050 10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.502 -15.420 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.905 -14.786 12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.492 -15.897 13.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.476 -16.324 11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.701 -17.562 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.204 -17.192 11.179 1.00 0.00 H new ATOM 600 N LYS A 41 9.129 -18.994 15.709 1.00 0.00 N ATOM 601 CA LYS A 41 9.112 -19.393 17.147 1.00 0.00 C ATOM 602 C LYS A 41 8.921 -20.905 17.278 1.00 0.00 C ATOM 603 O LYS A 41 9.005 -21.462 18.355 1.00 0.00 O ATOM 604 CB LYS A 41 7.921 -18.648 17.751 1.00 0.00 C ATOM 605 CG LYS A 41 7.846 -18.936 19.252 1.00 0.00 C ATOM 606 CD LYS A 41 6.502 -18.449 19.797 1.00 0.00 C ATOM 607 CE LYS A 41 6.743 -17.424 20.906 1.00 0.00 C ATOM 608 NZ LYS A 41 7.492 -18.168 21.958 1.00 0.00 N ATOM 0 H LYS A 41 8.312 -18.471 15.395 1.00 0.00 H new ATOM 0 HA LYS A 41 10.046 -19.148 17.653 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.024 -17.576 17.580 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.998 -18.961 17.263 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.959 -20.005 19.434 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.664 -18.436 19.771 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.913 -18.002 18.996 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.928 -19.291 20.184 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.317 -16.573 20.540 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.803 -17.032 21.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.144 -17.886 22.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.350 -19.190 21.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.506 -17.948 21.884 1.00 0.00 H new ATOM 622 N GLY A 42 8.668 -21.572 16.190 1.00 0.00 N ATOM 623 CA GLY A 42 8.472 -23.048 16.246 1.00 0.00 C ATOM 624 C GLY A 42 6.983 -23.367 16.408 1.00 0.00 C ATOM 625 O GLY A 42 6.577 -24.010 17.356 1.00 0.00 O ATOM 0 H GLY A 42 8.588 -21.159 15.261 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.856 -23.510 15.336 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.036 -23.468 17.079 1.00 0.00 H new ATOM 629 N ARG A 43 6.166 -22.929 15.489 1.00 0.00 N ATOM 630 CA ARG A 43 4.705 -23.211 15.591 1.00 0.00 C ATOM 631 C ARG A 43 4.093 -23.318 14.190 1.00 0.00 C ATOM 632 O ARG A 43 4.773 -23.166 13.194 1.00 0.00 O ATOM 633 CB ARG A 43 4.122 -22.016 16.346 1.00 0.00 C ATOM 634 CG ARG A 43 3.319 -22.513 17.553 1.00 0.00 C ATOM 635 CD ARG A 43 3.659 -21.660 18.778 1.00 0.00 C ATOM 636 NE ARG A 43 3.015 -22.361 19.926 1.00 0.00 N ATOM 637 CZ ARG A 43 3.640 -22.455 21.068 1.00 0.00 C ATOM 638 NH1 ARG A 43 4.190 -21.399 21.602 1.00 0.00 N ATOM 639 NH2 ARG A 43 3.714 -23.607 21.678 1.00 0.00 N ATOM 0 H ARG A 43 6.447 -22.388 14.671 1.00 0.00 H new ATOM 0 HA ARG A 43 4.497 -24.152 16.101 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.924 -21.356 16.677 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.481 -21.433 15.685 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.251 -22.456 17.342 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.549 -23.560 17.750 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.737 -21.582 18.918 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.277 -20.645 18.671 1.00 0.00 H new ATOM 0 HE ARG A 43 2.086 -22.767 19.819 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.132 -20.498 21.127 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.678 -21.474 22.495 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.284 -24.433 21.262 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.202 -23.681 22.570 1.00 0.00 H new ATOM 653 N GLN A 44 2.819 -23.588 14.103 1.00 0.00 N ATOM 654 CA GLN A 44 2.174 -23.713 12.763 1.00 0.00 C ATOM 655 C GLN A 44 0.739 -23.179 12.805 1.00 0.00 C ATOM 656 O GLN A 44 -0.001 -23.429 13.736 1.00 0.00 O ATOM 657 CB GLN A 44 2.180 -25.212 12.471 1.00 0.00 C ATOM 658 CG GLN A 44 1.663 -25.972 13.694 1.00 0.00 C ATOM 659 CD GLN A 44 1.067 -27.308 13.250 1.00 0.00 C ATOM 660 OE1 GLN A 44 -0.071 -27.368 12.827 1.00 0.00 O ATOM 661 NE2 GLN A 44 1.792 -28.391 13.327 1.00 0.00 N ATOM 0 H GLN A 44 2.197 -23.727 14.899 1.00 0.00 H new ATOM 0 HA GLN A 44 2.696 -23.140 11.997 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.554 -25.427 11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.189 -25.541 12.225 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.476 -26.141 14.401 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.909 -25.379 14.212 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.747 -28.341 13.682 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.403 -29.287 13.032 1.00 0.00 H new ATOM 670 N VAL A 45 0.341 -22.450 11.797 1.00 0.00 N ATOM 671 CA VAL A 45 -1.046 -21.901 11.771 1.00 0.00 C ATOM 672 C VAL A 45 -1.820 -22.494 10.591 1.00 0.00 C ATOM 673 O VAL A 45 -1.242 -23.011 9.655 1.00 0.00 O ATOM 674 CB VAL A 45 -0.874 -20.393 11.593 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.251 -19.729 11.530 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.087 -19.824 12.775 1.00 0.00 C ATOM 0 H VAL A 45 0.917 -22.211 10.990 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.604 -22.142 12.676 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.331 -20.196 10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.131 -18.653 11.403 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.812 -20.133 10.687 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.793 -19.927 12.455 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.035 -18.748 12.647 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.628 -20.020 13.701 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.894 -20.297 12.821 1.00 0.00 H new ATOM 686 N CYS A 46 -3.124 -22.416 10.623 1.00 0.00 N ATOM 687 CA CYS A 46 -3.929 -22.972 9.495 1.00 0.00 C ATOM 688 C CYS A 46 -4.709 -21.848 8.817 1.00 0.00 C ATOM 689 O CYS A 46 -5.450 -21.135 9.451 1.00 0.00 O ATOM 690 CB CYS A 46 -4.887 -23.974 10.142 1.00 0.00 C ATOM 691 SG CYS A 46 -4.255 -25.656 9.916 1.00 0.00 S ATOM 0 H CYS A 46 -3.665 -21.993 11.377 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.308 -23.443 8.733 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.994 -23.755 11.204 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.878 -23.884 9.696 1.00 0.00 H new ATOM 696 N ALA A 47 -4.551 -21.681 7.537 1.00 0.00 N ATOM 697 CA ALA A 47 -5.288 -20.589 6.841 1.00 0.00 C ATOM 698 C ALA A 47 -6.060 -21.141 5.642 1.00 0.00 C ATOM 699 O ALA A 47 -5.731 -22.177 5.100 1.00 0.00 O ATOM 700 CB ALA A 47 -4.208 -19.614 6.377 1.00 0.00 C ATOM 0 H ALA A 47 -3.947 -22.249 6.943 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.019 -20.111 7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.673 -18.779 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.659 -19.240 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.520 -20.126 5.704 1.00 0.00 H new ATOM 706 N LYS A 48 -7.086 -20.453 5.223 1.00 0.00 N ATOM 707 CA LYS A 48 -7.881 -20.931 4.057 1.00 0.00 C ATOM 708 C LYS A 48 -7.095 -20.721 2.762 1.00 0.00 C ATOM 709 O LYS A 48 -6.074 -20.062 2.755 1.00 0.00 O ATOM 710 CB LYS A 48 -9.141 -20.067 4.060 1.00 0.00 C ATOM 711 CG LYS A 48 -10.349 -20.926 4.436 1.00 0.00 C ATOM 712 CD LYS A 48 -11.610 -20.062 4.402 1.00 0.00 C ATOM 713 CE LYS A 48 -11.513 -18.982 5.479 1.00 0.00 C ATOM 714 NZ LYS A 48 -12.636 -19.274 6.413 1.00 0.00 N ATOM 0 H LYS A 48 -7.409 -19.579 5.638 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.112 -21.994 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.030 -19.247 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.291 -19.621 3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.447 -21.761 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.212 -21.352 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.724 -19.603 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.492 -20.680 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.552 -19.020 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.605 -17.985 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.638 -18.575 7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.538 -19.224 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.517 -20.227 6.812 1.00 0.00 H new ATOM 728 N PRO A 49 -7.604 -21.288 1.703 1.00 0.00 N ATOM 729 CA PRO A 49 -6.943 -21.161 0.382 1.00 0.00 C ATOM 730 C PRO A 49 -7.126 -19.741 -0.160 1.00 0.00 C ATOM 731 O PRO A 49 -6.279 -19.214 -0.853 1.00 0.00 O ATOM 732 CB PRO A 49 -7.679 -22.175 -0.487 1.00 0.00 C ATOM 733 CG PRO A 49 -9.020 -22.334 0.160 1.00 0.00 C ATOM 734 CD PRO A 49 -8.828 -22.094 1.635 1.00 0.00 C ATOM 0 HA PRO A 49 -5.869 -21.342 0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.775 -21.820 -1.513 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.144 -23.124 -0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.736 -21.625 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.419 -23.332 -0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.678 -21.567 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.721 -23.031 2.182 1.00 0.00 H new ATOM 742 N SER A 50 -8.229 -19.122 0.158 1.00 0.00 N ATOM 743 CA SER A 50 -8.477 -17.734 -0.327 1.00 0.00 C ATOM 744 C SER A 50 -8.826 -16.824 0.854 1.00 0.00 C ATOM 745 O SER A 50 -9.675 -15.960 0.757 1.00 0.00 O ATOM 746 CB SER A 50 -9.667 -17.854 -1.279 1.00 0.00 C ATOM 747 OG SER A 50 -9.196 -18.115 -2.592 1.00 0.00 O ATOM 0 H SER A 50 -8.972 -19.518 0.734 1.00 0.00 H new ATOM 0 HA SER A 50 -7.605 -17.303 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.329 -18.656 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.251 -16.934 -1.267 1.00 0.00 H new ATOM 0 HG SER A 50 -9.958 -18.194 -3.203 1.00 0.00 H new ATOM 753 N GLY A 51 -8.178 -17.014 1.971 1.00 0.00 N ATOM 754 CA GLY A 51 -8.474 -16.165 3.160 1.00 0.00 C ATOM 755 C GLY A 51 -7.849 -14.782 2.971 1.00 0.00 C ATOM 756 O GLY A 51 -6.769 -14.656 2.425 1.00 0.00 O ATOM 0 H GLY A 51 -7.456 -17.721 2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.552 -16.073 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.079 -16.634 4.061 1.00 0.00 H new ATOM 760 N PRO A 52 -8.553 -13.785 3.435 1.00 0.00 N ATOM 761 CA PRO A 52 -8.067 -12.390 3.319 1.00 0.00 C ATOM 762 C PRO A 52 -6.881 -12.160 4.258 1.00 0.00 C ATOM 763 O PRO A 52 -7.043 -12.003 5.452 1.00 0.00 O ATOM 764 CB PRO A 52 -9.272 -11.552 3.740 1.00 0.00 C ATOM 765 CG PRO A 52 -10.084 -12.459 4.609 1.00 0.00 C ATOM 766 CD PRO A 52 -9.855 -13.863 4.109 1.00 0.00 C ATOM 0 HA PRO A 52 -7.713 -12.140 2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.962 -10.658 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.843 -11.218 2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.783 -12.366 5.652 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.141 -12.198 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.839 -14.582 4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.642 -14.177 3.424 1.00 0.00 H new ATOM 774 N GLY A 53 -5.691 -12.142 3.728 1.00 0.00 N ATOM 775 CA GLY A 53 -4.495 -11.927 4.587 1.00 0.00 C ATOM 776 C GLY A 53 -3.515 -13.085 4.390 1.00 0.00 C ATOM 777 O GLY A 53 -2.323 -12.938 4.570 1.00 0.00 O ATOM 0 H GLY A 53 -5.495 -12.267 2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.015 -10.982 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.792 -11.861 5.634 1.00 0.00 H new ATOM 781 N VAL A 54 -4.007 -14.235 4.017 1.00 0.00 N ATOM 782 CA VAL A 54 -3.099 -15.399 3.805 1.00 0.00 C ATOM 783 C VAL A 54 -2.111 -15.087 2.686 1.00 0.00 C ATOM 784 O VAL A 54 -0.928 -15.337 2.801 1.00 0.00 O ATOM 785 CB VAL A 54 -4.016 -16.554 3.406 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.168 -17.775 3.040 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.939 -16.901 4.576 1.00 0.00 C ATOM 0 H VAL A 54 -4.996 -14.419 3.850 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.514 -15.638 4.693 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.618 -16.261 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.821 -18.600 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.513 -17.526 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.565 -18.070 3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.593 -17.725 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.340 -17.195 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.543 -16.031 4.834 1.00 0.00 H new ATOM 797 N GLN A 55 -2.583 -14.530 1.608 1.00 0.00 N ATOM 798 CA GLN A 55 -1.658 -14.193 0.497 1.00 0.00 C ATOM 799 C GLN A 55 -0.736 -13.070 0.956 1.00 0.00 C ATOM 800 O GLN A 55 0.366 -12.914 0.468 1.00 0.00 O ATOM 801 CB GLN A 55 -2.552 -13.732 -0.655 1.00 0.00 C ATOM 802 CG GLN A 55 -1.771 -13.813 -1.968 1.00 0.00 C ATOM 803 CD GLN A 55 -2.544 -14.671 -2.971 1.00 0.00 C ATOM 804 OE1 GLN A 55 -3.160 -14.155 -3.883 1.00 0.00 O ATOM 805 NE2 GLN A 55 -2.539 -15.970 -2.840 1.00 0.00 N ATOM 0 H GLN A 55 -3.563 -14.295 1.450 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.034 -15.033 0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.444 -14.357 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.889 -12.710 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.615 -12.813 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.785 -14.242 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.022 -16.403 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.052 -16.551 -3.503 1.00 0.00 H new ATOM 814 N ASP A 56 -1.173 -12.301 1.914 1.00 0.00 N ATOM 815 CA ASP A 56 -0.320 -11.206 2.436 1.00 0.00 C ATOM 816 C ASP A 56 0.861 -11.814 3.191 1.00 0.00 C ATOM 817 O ASP A 56 1.988 -11.380 3.055 1.00 0.00 O ATOM 818 CB ASP A 56 -1.226 -10.414 3.377 1.00 0.00 C ATOM 819 CG ASP A 56 -1.784 -9.193 2.644 1.00 0.00 C ATOM 820 OD1 ASP A 56 -1.530 -9.073 1.457 1.00 0.00 O ATOM 821 OD2 ASP A 56 -2.457 -8.400 3.281 1.00 0.00 O ATOM 0 H ASP A 56 -2.088 -12.387 2.357 1.00 0.00 H new ATOM 0 HA ASP A 56 0.088 -10.568 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.043 -11.045 3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.666 -10.098 4.257 1.00 0.00 H new ATOM 826 N CYS A 57 0.616 -12.835 3.972 1.00 0.00 N ATOM 827 CA CYS A 57 1.736 -13.478 4.711 1.00 0.00 C ATOM 828 C CYS A 57 2.700 -14.108 3.709 1.00 0.00 C ATOM 829 O CYS A 57 3.903 -13.969 3.813 1.00 0.00 O ATOM 830 CB CYS A 57 1.086 -14.557 5.578 1.00 0.00 C ATOM 831 SG CYS A 57 0.131 -13.805 6.924 1.00 0.00 S ATOM 0 H CYS A 57 -0.304 -13.246 4.127 1.00 0.00 H new ATOM 0 HA CYS A 57 2.300 -12.769 5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.433 -15.179 4.965 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.854 -15.211 5.991 1.00 0.00 H new ATOM 836 N MET A 58 2.178 -14.794 2.730 1.00 0.00 N ATOM 837 CA MET A 58 3.062 -15.424 1.715 1.00 0.00 C ATOM 838 C MET A 58 3.702 -14.343 0.846 1.00 0.00 C ATOM 839 O MET A 58 4.733 -14.551 0.238 1.00 0.00 O ATOM 840 CB MET A 58 2.147 -16.311 0.874 1.00 0.00 C ATOM 841 CG MET A 58 1.330 -17.229 1.789 1.00 0.00 C ATOM 842 SD MET A 58 -0.273 -17.570 1.023 1.00 0.00 S ATOM 843 CE MET A 58 0.236 -19.015 0.061 1.00 0.00 C ATOM 0 H MET A 58 1.179 -14.944 2.591 1.00 0.00 H new ATOM 0 HA MET A 58 3.869 -15.998 2.170 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.479 -15.694 0.273 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.740 -16.908 0.181 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.868 -18.161 1.962 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.188 -16.758 2.762 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.616 -19.396 -0.501 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.029 -18.731 -0.630 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.602 -19.790 0.734 1.00 0.00 H new ATOM 853 N LYS A 59 3.103 -13.184 0.789 1.00 0.00 N ATOM 854 CA LYS A 59 3.687 -12.091 -0.034 1.00 0.00 C ATOM 855 C LYS A 59 5.019 -11.666 0.577 1.00 0.00 C ATOM 856 O LYS A 59 6.031 -11.594 -0.093 1.00 0.00 O ATOM 857 CB LYS A 59 2.673 -10.950 0.034 1.00 0.00 C ATOM 858 CG LYS A 59 2.120 -10.675 -1.366 1.00 0.00 C ATOM 859 CD LYS A 59 0.973 -9.667 -1.276 1.00 0.00 C ATOM 860 CE LYS A 59 0.288 -9.551 -2.640 1.00 0.00 C ATOM 861 NZ LYS A 59 0.728 -8.232 -3.176 1.00 0.00 N ATOM 0 H LYS A 59 2.238 -12.949 1.275 1.00 0.00 H new ATOM 0 HA LYS A 59 3.876 -12.391 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.861 -11.211 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.146 -10.052 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.909 -10.287 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.768 -11.602 -1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.253 -9.985 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.353 -8.694 -0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.584 -10.365 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.797 -9.597 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.300 -8.077 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.427 -7.476 -2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.764 -8.221 -3.263 1.00 0.00 H new ATOM 875 N LYS A 60 5.028 -11.402 1.853 1.00 0.00 N ATOM 876 CA LYS A 60 6.294 -11.001 2.519 1.00 0.00 C ATOM 877 C LYS A 60 7.256 -12.191 2.551 1.00 0.00 C ATOM 878 O LYS A 60 8.460 -12.029 2.582 1.00 0.00 O ATOM 879 CB LYS A 60 5.886 -10.598 3.937 1.00 0.00 C ATOM 880 CG LYS A 60 4.927 -9.406 3.875 1.00 0.00 C ATOM 881 CD LYS A 60 5.488 -8.346 2.925 1.00 0.00 C ATOM 882 CE LYS A 60 4.648 -7.072 3.030 1.00 0.00 C ATOM 883 NZ LYS A 60 5.635 -5.958 2.939 1.00 0.00 N ATOM 0 H LYS A 60 4.212 -11.447 2.463 1.00 0.00 H new ATOM 0 HA LYS A 60 6.803 -10.188 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.407 -11.437 4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.769 -10.338 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.945 -9.733 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.792 -8.982 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.527 -8.131 3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.477 -8.718 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.912 -7.016 2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.097 -7.037 3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.137 -5.047 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.318 -6.035 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.139 -6.014 2.031 1.00 0.00 H new ATOM 897 N LEU A 61 6.731 -13.390 2.541 1.00 0.00 N ATOM 898 CA LEU A 61 7.618 -14.587 2.568 1.00 0.00 C ATOM 899 C LEU A 61 8.244 -14.816 1.191 1.00 0.00 C ATOM 900 O LEU A 61 9.041 -15.712 1.001 1.00 0.00 O ATOM 901 CB LEU A 61 6.699 -15.750 2.947 1.00 0.00 C ATOM 902 CG LEU A 61 6.946 -16.143 4.407 1.00 0.00 C ATOM 903 CD1 LEU A 61 7.002 -14.887 5.279 1.00 0.00 C ATOM 904 CD2 LEU A 61 5.809 -17.042 4.889 1.00 0.00 C ATOM 0 H LEU A 61 5.731 -13.589 2.515 1.00 0.00 H new ATOM 0 HA LEU A 61 8.443 -14.475 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.657 -15.464 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.885 -16.602 2.294 1.00 0.00 H new ATOM 0 HG LEU A 61 7.894 -16.676 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.178 -15.172 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.812 -14.243 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.056 -14.350 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.983 -17.323 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.863 -16.506 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.769 -17.940 4.272 1.00 0.00 H new