USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 540 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 30 TYR OH : rot 162:sc= 0.84 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.311 K(o=1.2,f=-4) USER MOD Set 2.1: A 49 HIS :FLIP no HE2:sc= -0.496 F(o=-2.2,f=-1.2) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.714 K(o=-1.2,f=-6.7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.626 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -107:sc= -0.881 (180deg=-2.79!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 87:sc= 0.0122 USER MOD Single : A 28 GLN : amide:sc= 0.219 K(o=0.22,f=-1.3) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.82) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0872 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.802 -0.651 -10.484 1.00 0.00 N ATOM 60 CA GLY A 7 -6.388 -1.376 -11.672 1.00 0.00 C ATOM 61 C GLY A 7 -6.969 -0.788 -12.942 1.00 0.00 C ATOM 62 O GLY A 7 -6.268 -0.638 -13.943 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.300 -1.370 -11.737 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.696 -2.418 -11.584 1.00 0.00 H new ATOM 66 N VAL A 8 -8.255 -0.455 -12.904 1.00 0.00 N ATOM 67 CA VAL A 8 -8.931 0.119 -14.061 1.00 0.00 C ATOM 68 C VAL A 8 -8.261 1.416 -14.501 1.00 0.00 C ATOM 69 O VAL A 8 -8.353 1.810 -15.664 1.00 0.00 O ATOM 70 CB VAL A 8 -10.417 0.398 -13.762 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.147 0.814 -15.030 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.072 -0.824 -13.136 1.00 0.00 C ATOM 0 H VAL A 8 -8.850 -0.573 -12.084 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.861 -0.614 -14.864 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.479 1.220 -13.049 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.195 1.007 -14.800 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.691 1.719 -15.432 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.079 0.015 -15.768 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.121 -0.610 -12.931 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.001 -1.667 -13.823 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.564 -1.072 -12.204 1.00 0.00 H new ATOM 82 N SER A 9 -7.586 2.075 -13.565 1.00 0.00 N ATOM 83 CA SER A 9 -6.902 3.329 -13.855 1.00 0.00 C ATOM 84 C SER A 9 -5.671 3.089 -14.723 1.00 0.00 C ATOM 85 O SER A 9 -5.245 3.966 -15.475 1.00 0.00 O ATOM 86 CB SER A 9 -6.496 4.026 -12.555 1.00 0.00 C ATOM 87 OG SER A 9 -5.731 3.163 -11.731 1.00 0.00 O ATOM 0 H SER A 9 -7.498 1.761 -12.599 1.00 0.00 H new ATOM 0 HA SER A 9 -7.591 3.971 -14.403 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.919 4.922 -12.784 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.388 4.350 -12.019 1.00 0.00 H new ATOM 0 HG SER A 9 -5.483 3.632 -10.907 1.00 0.00 H new ATOM 93 N LYS A 10 -5.102 1.893 -14.613 1.00 0.00 N ATOM 94 CA LYS A 10 -3.920 1.533 -15.387 1.00 0.00 C ATOM 95 C LYS A 10 -4.270 0.528 -16.480 1.00 0.00 C ATOM 96 O LYS A 10 -3.410 -0.218 -16.949 1.00 0.00 O ATOM 97 CB LYS A 10 -2.842 0.951 -14.470 1.00 0.00 C ATOM 98 CG LYS A 10 -2.536 1.820 -13.263 1.00 0.00 C ATOM 99 CD LYS A 10 -1.077 2.243 -13.235 1.00 0.00 C ATOM 100 CE LYS A 10 -0.893 3.645 -13.796 1.00 0.00 C ATOM 101 NZ LYS A 10 -0.228 3.627 -15.129 1.00 0.00 N ATOM 0 H LYS A 10 -5.441 1.156 -13.995 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.537 2.438 -15.859 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.161 -0.033 -14.127 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.927 0.807 -15.045 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.172 2.705 -13.280 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.775 1.274 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.706 2.208 -12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.481 1.537 -13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.864 4.132 -13.881 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.298 4.239 -13.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.121 4.601 -15.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.710 3.185 -15.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.808 3.082 -15.799 1.00 0.00 H new ATOM 115 N TRP A 11 -5.536 0.514 -16.880 1.00 0.00 N ATOM 116 CA TRP A 11 -5.999 -0.400 -17.919 1.00 0.00 C ATOM 117 C TRP A 11 -5.492 0.033 -19.290 1.00 0.00 C ATOM 118 O TRP A 11 -5.684 1.178 -19.700 1.00 0.00 O ATOM 119 CB TRP A 11 -7.527 -0.466 -17.925 1.00 0.00 C ATOM 120 CG TRP A 11 -8.072 -1.669 -17.216 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.484 -2.352 -16.190 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.313 -2.332 -17.483 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.285 -3.399 -15.802 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.413 -3.408 -16.580 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.350 -2.120 -18.395 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.507 -4.268 -16.565 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.435 -2.975 -18.380 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.508 -4.038 -17.470 1.00 0.00 C ATOM 0 H TRP A 11 -6.260 1.124 -16.501 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.600 -1.391 -17.701 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.924 0.434 -17.456 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.879 -0.470 -18.956 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.530 -2.106 -15.748 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.074 -4.062 -15.056 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.304 -1.302 -19.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.564 -5.088 -15.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.241 -2.821 -19.082 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.370 -4.688 -17.483 1.00 0.00 H new ATOM 139 N SER A 12 -4.843 -0.889 -19.995 1.00 0.00 N ATOM 140 CA SER A 12 -4.305 -0.600 -21.319 1.00 0.00 C ATOM 141 C SER A 12 -5.416 -0.183 -22.278 1.00 0.00 C ATOM 142 O SER A 12 -6.598 -0.443 -22.050 1.00 0.00 O ATOM 143 CB SER A 12 -3.571 -1.824 -21.872 1.00 0.00 C ATOM 144 OG SER A 12 -3.720 -2.940 -21.012 1.00 0.00 O ATOM 0 H SER A 12 -4.677 -1.842 -19.671 1.00 0.00 H new ATOM 0 HA SER A 12 -3.601 0.227 -21.226 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.959 -2.069 -22.861 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.513 -1.593 -21.993 1.00 0.00 H new ATOM 0 HG SER A 12 -3.243 -3.709 -21.389 1.00 0.00 H new ATOM 150 N PRO A 13 -5.029 0.481 -23.377 1.00 0.00 N ATOM 151 CA PRO A 13 -5.976 0.949 -24.393 1.00 0.00 C ATOM 152 C PRO A 13 -6.591 -0.200 -25.185 1.00 0.00 C ATOM 153 O PRO A 13 -7.639 -0.044 -25.812 1.00 0.00 O ATOM 154 CB PRO A 13 -5.114 1.825 -25.305 1.00 0.00 C ATOM 155 CG PRO A 13 -3.730 1.300 -25.136 1.00 0.00 C ATOM 156 CD PRO A 13 -3.637 0.826 -23.712 1.00 0.00 C ATOM 0 HA PRO A 13 -6.822 1.474 -23.950 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.440 1.756 -26.343 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.177 2.875 -25.020 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.534 0.484 -25.832 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.991 2.076 -25.338 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.975 -0.035 -23.617 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.246 1.602 -23.055 1.00 0.00 H new ATOM 164 N SER A 14 -5.933 -1.355 -25.152 1.00 0.00 N ATOM 165 CA SER A 14 -6.414 -2.529 -25.869 1.00 0.00 C ATOM 166 C SER A 14 -7.262 -3.412 -24.959 1.00 0.00 C ATOM 167 O SER A 14 -8.129 -4.151 -25.426 1.00 0.00 O ATOM 168 CB SER A 14 -5.236 -3.332 -26.424 1.00 0.00 C ATOM 169 OG SER A 14 -5.674 -4.300 -27.362 1.00 0.00 O ATOM 0 H SER A 14 -5.065 -1.502 -24.636 1.00 0.00 H new ATOM 0 HA SER A 14 -7.035 -2.189 -26.698 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.524 -2.657 -26.899 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.711 -3.825 -25.606 1.00 0.00 H new ATOM 0 HG SER A 14 -4.902 -4.798 -27.703 1.00 0.00 H new ATOM 175 N GLN A 15 -7.005 -3.330 -23.657 1.00 0.00 N ATOM 176 CA GLN A 15 -7.744 -4.122 -22.681 1.00 0.00 C ATOM 177 C GLN A 15 -9.206 -3.692 -22.627 1.00 0.00 C ATOM 178 O GLN A 15 -10.110 -4.528 -22.643 1.00 0.00 O ATOM 179 CB GLN A 15 -7.108 -3.985 -21.297 1.00 0.00 C ATOM 180 CG GLN A 15 -5.963 -4.956 -21.054 1.00 0.00 C ATOM 181 CD GLN A 15 -6.432 -6.282 -20.487 1.00 0.00 C ATOM 182 OE1 GLN A 15 -6.567 -6.438 -19.274 1.00 0.00 O ATOM 183 NE2 GLN A 15 -6.684 -7.245 -21.366 1.00 0.00 N ATOM 0 H GLN A 15 -6.291 -2.723 -23.254 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.703 -5.166 -22.990 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.741 -2.966 -21.174 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.874 -4.142 -20.537 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.436 -5.132 -21.992 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.248 -4.504 -20.367 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.558 -7.071 -22.363 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.003 -8.159 -21.044 1.00 0.00 H new ATOM 192 N VAL A 16 -9.432 -2.384 -22.561 1.00 0.00 N ATOM 193 CA VAL A 16 -10.785 -1.844 -22.505 1.00 0.00 C ATOM 194 C VAL A 16 -11.648 -2.406 -23.628 1.00 0.00 C ATOM 195 O VAL A 16 -12.861 -2.555 -23.479 1.00 0.00 O ATOM 196 CB VAL A 16 -10.779 -0.306 -22.597 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.200 0.236 -22.568 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.949 0.291 -21.471 1.00 0.00 C ATOM 0 H VAL A 16 -8.695 -1.679 -22.545 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.205 -2.142 -21.544 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.325 -0.017 -23.545 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.176 1.324 -22.634 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.760 -0.166 -23.412 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.684 -0.060 -21.637 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.955 1.378 -21.551 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.372 -0.005 -20.511 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.924 -0.072 -21.543 1.00 0.00 H new ATOM 208 N VAL A 17 -11.015 -2.717 -24.755 1.00 0.00 N ATOM 209 CA VAL A 17 -11.725 -3.265 -25.905 1.00 0.00 C ATOM 210 C VAL A 17 -12.345 -4.618 -25.574 1.00 0.00 C ATOM 211 O VAL A 17 -13.465 -4.917 -25.988 1.00 0.00 O ATOM 212 CB VAL A 17 -10.790 -3.424 -27.118 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.583 -3.813 -28.356 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.006 -2.142 -27.358 1.00 0.00 C ATOM 0 H VAL A 17 -10.012 -2.599 -24.896 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.516 -2.558 -26.156 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.080 -4.223 -26.905 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.906 -3.921 -29.203 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.095 -4.759 -28.178 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.318 -3.039 -28.576 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.350 -2.272 -28.219 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.699 -1.323 -27.550 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.407 -1.912 -26.477 1.00 0.00 H new ATOM 224 N ASP A 18 -11.610 -5.432 -24.825 1.00 0.00 N ATOM 225 CA ASP A 18 -12.088 -6.754 -24.437 1.00 0.00 C ATOM 226 C ASP A 18 -13.281 -6.645 -23.493 1.00 0.00 C ATOM 227 O ASP A 18 -14.118 -7.545 -23.429 1.00 0.00 O ATOM 228 CB ASP A 18 -10.965 -7.550 -23.769 1.00 0.00 C ATOM 229 CG ASP A 18 -11.320 -9.013 -23.589 1.00 0.00 C ATOM 230 OD1 ASP A 18 -12.073 -9.328 -22.643 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.847 -9.841 -24.394 1.00 0.00 O ATOM 0 H ASP A 18 -10.681 -5.200 -24.474 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.407 -7.277 -25.339 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.060 -7.470 -24.371 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.741 -7.111 -22.797 1.00 0.00 H new ATOM 236 N TRP A 19 -13.352 -5.538 -22.763 1.00 0.00 N ATOM 237 CA TRP A 19 -14.443 -5.311 -21.822 1.00 0.00 C ATOM 238 C TRP A 19 -15.756 -5.072 -22.558 1.00 0.00 C ATOM 239 O TRP A 19 -16.796 -5.614 -22.184 1.00 0.00 O ATOM 240 CB TRP A 19 -14.126 -4.118 -20.919 1.00 0.00 C ATOM 241 CG TRP A 19 -15.273 -3.715 -20.043 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.849 -4.458 -19.053 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.984 -2.472 -20.080 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.876 -3.753 -18.472 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.978 -2.531 -19.084 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.876 -1.316 -20.857 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.857 -1.478 -18.847 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.750 -0.271 -20.621 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.729 -0.358 -19.622 1.00 0.00 C ATOM 0 H TRP A 19 -12.667 -4.783 -22.804 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.550 -6.205 -21.207 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.268 -4.363 -20.293 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.836 -3.270 -21.539 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.543 -5.454 -18.768 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.466 -4.085 -17.709 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.124 -1.240 -21.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.613 -1.543 -18.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.677 0.627 -21.216 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.396 0.476 -19.461 1.00 0.00 H new ATOM 260 N MET A 20 -15.702 -4.258 -23.607 1.00 0.00 N ATOM 261 CA MET A 20 -16.889 -3.949 -24.397 1.00 0.00 C ATOM 262 C MET A 20 -17.452 -5.208 -25.048 1.00 0.00 C ATOM 263 O MET A 20 -18.634 -5.269 -25.386 1.00 0.00 O ATOM 264 CB MET A 20 -16.557 -2.910 -25.470 1.00 0.00 C ATOM 265 CG MET A 20 -15.964 -1.627 -24.912 1.00 0.00 C ATOM 266 SD MET A 20 -17.193 -0.323 -24.713 1.00 0.00 S ATOM 267 CE MET A 20 -17.652 -0.028 -26.419 1.00 0.00 C ATOM 0 H MET A 20 -14.850 -3.800 -23.930 1.00 0.00 H new ATOM 0 HA MET A 20 -17.645 -3.540 -23.727 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.855 -3.346 -26.181 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.464 -2.670 -26.024 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.501 -1.835 -23.947 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.174 -1.278 -25.576 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.231 0.922 -26.750 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.266 -0.833 -27.044 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.738 0.008 -26.503 1.00 0.00 H new ATOM 277 N LYS A 21 -16.598 -6.212 -25.220 1.00 0.00 N ATOM 278 CA LYS A 21 -17.010 -7.471 -25.830 1.00 0.00 C ATOM 279 C LYS A 21 -17.995 -8.213 -24.932 1.00 0.00 C ATOM 280 O LYS A 21 -18.646 -9.164 -25.363 1.00 0.00 O ATOM 281 CB LYS A 21 -15.789 -8.352 -26.103 1.00 0.00 C ATOM 282 CG LYS A 21 -14.820 -7.753 -27.108 1.00 0.00 C ATOM 283 CD LYS A 21 -13.887 -8.808 -27.680 1.00 0.00 C ATOM 284 CE LYS A 21 -13.187 -8.311 -28.935 1.00 0.00 C ATOM 285 NZ LYS A 21 -11.838 -8.922 -29.097 1.00 0.00 N ATOM 0 H LYS A 21 -15.616 -6.178 -24.945 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.505 -7.244 -26.774 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.263 -8.530 -25.165 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.126 -9.322 -26.469 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.378 -7.282 -27.917 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.234 -6.970 -26.627 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.143 -9.082 -26.932 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.454 -9.710 -27.911 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.798 -8.543 -29.807 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.091 -7.226 -28.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.394 -8.558 -29.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.246 -8.680 -28.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.931 -9.956 -29.164 1.00 0.00 H new ATOM 299 N GLY A 22 -18.099 -7.772 -23.682 1.00 0.00 N ATOM 300 CA GLY A 22 -19.007 -8.406 -22.745 1.00 0.00 C ATOM 301 C GLY A 22 -20.108 -7.471 -22.283 1.00 0.00 C ATOM 302 O GLY A 22 -20.701 -7.675 -21.223 1.00 0.00 O ATOM 0 H GLY A 22 -17.570 -6.987 -23.302 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.452 -9.284 -23.213 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.445 -8.757 -21.879 1.00 0.00 H new ATOM 306 N LEU A 23 -20.381 -6.443 -23.078 1.00 0.00 N ATOM 307 CA LEU A 23 -21.417 -5.472 -22.744 1.00 0.00 C ATOM 308 C LEU A 23 -22.580 -5.556 -23.727 1.00 0.00 C ATOM 309 O LEU A 23 -22.655 -6.479 -24.538 1.00 0.00 O ATOM 310 CB LEU A 23 -20.836 -4.057 -22.743 1.00 0.00 C ATOM 311 CG LEU A 23 -19.563 -3.854 -21.921 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.137 -2.394 -21.948 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.773 -4.324 -20.489 1.00 0.00 C ATOM 0 H LEU A 23 -19.900 -6.260 -23.958 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.791 -5.705 -21.747 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.628 -3.771 -23.774 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.598 -3.373 -22.370 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.767 -4.451 -22.366 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.229 -2.269 -21.358 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.945 -2.090 -22.977 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.931 -1.776 -21.529 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.857 -4.172 -19.918 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.583 -3.754 -20.034 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.030 -5.383 -20.488 1.00 0.00 H new ATOM 325 N ASP A 24 -23.484 -4.585 -23.651 1.00 0.00 N ATOM 326 CA ASP A 24 -24.642 -4.547 -24.536 1.00 0.00 C ATOM 327 C ASP A 24 -24.215 -4.674 -25.995 1.00 0.00 C ATOM 328 O ASP A 24 -23.139 -4.214 -26.380 1.00 0.00 O ATOM 329 CB ASP A 24 -25.425 -3.250 -24.332 1.00 0.00 C ATOM 330 CG ASP A 24 -26.921 -3.482 -24.254 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.420 -3.765 -23.145 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.593 -3.382 -25.302 1.00 0.00 O ATOM 0 H ASP A 24 -23.437 -3.814 -22.985 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.285 -5.392 -24.289 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.087 -2.766 -23.416 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.209 -2.566 -25.153 1.00 0.00 H new ATOM 337 N ASP A 25 -25.063 -5.301 -26.803 1.00 0.00 N ATOM 338 CA ASP A 25 -24.773 -5.489 -28.219 1.00 0.00 C ATOM 339 C ASP A 25 -24.695 -4.146 -28.940 1.00 0.00 C ATOM 340 O ASP A 25 -24.029 -4.020 -29.968 1.00 0.00 O ATOM 341 CB ASP A 25 -25.843 -6.369 -28.868 1.00 0.00 C ATOM 342 CG ASP A 25 -25.251 -7.409 -29.798 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.507 -7.023 -30.725 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.530 -8.610 -29.600 1.00 0.00 O ATOM 0 H ASP A 25 -25.957 -5.688 -26.501 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.806 -5.984 -28.304 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.420 -6.868 -28.090 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.537 -5.740 -29.426 1.00 0.00 H new ATOM 349 N CYS A 26 -25.381 -3.147 -28.395 1.00 0.00 N ATOM 350 CA CYS A 26 -25.390 -1.814 -28.987 1.00 0.00 C ATOM 351 C CYS A 26 -24.035 -1.136 -28.821 1.00 0.00 C ATOM 352 O CYS A 26 -23.687 -0.225 -29.574 1.00 0.00 O ATOM 353 CB CYS A 26 -26.485 -0.958 -28.348 1.00 0.00 C ATOM 354 SG CYS A 26 -28.128 -1.711 -28.389 1.00 0.00 S ATOM 0 H CYS A 26 -25.938 -3.235 -27.545 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.595 -1.917 -30.053 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.215 -0.756 -27.311 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.525 0.004 -28.860 1.00 0.00 H new ATOM 0 HG CYS A 26 -28.285 -2.467 -27.343 1.00 0.00 H new ATOM 360 N LEU A 27 -23.273 -1.583 -27.829 1.00 0.00 N ATOM 361 CA LEU A 27 -21.955 -1.018 -27.561 1.00 0.00 C ATOM 362 C LEU A 27 -20.863 -1.832 -28.249 1.00 0.00 C ATOM 363 O LEU A 27 -19.699 -1.787 -27.852 1.00 0.00 O ATOM 364 CB LEU A 27 -21.696 -0.967 -26.055 1.00 0.00 C ATOM 365 CG LEU A 27 -22.882 -0.550 -25.184 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.529 -0.669 -23.709 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.315 0.870 -25.517 1.00 0.00 C ATOM 0 H LEU A 27 -23.545 -2.335 -27.197 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.934 -0.004 -27.961 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.361 -1.952 -25.731 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.875 -0.275 -25.871 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.715 -1.221 -25.393 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.385 -0.368 -23.105 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.268 -1.702 -23.480 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.681 -0.022 -23.484 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.160 1.150 -24.888 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.486 1.555 -25.337 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.610 0.924 -26.565 1.00 0.00 H new ATOM 379 N GLN A 28 -21.248 -2.574 -29.282 1.00 0.00 N ATOM 380 CA GLN A 28 -20.301 -3.397 -30.026 1.00 0.00 C ATOM 381 C GLN A 28 -19.731 -2.631 -31.215 1.00 0.00 C ATOM 382 O GLN A 28 -18.518 -2.603 -31.422 1.00 0.00 O ATOM 383 CB GLN A 28 -20.978 -4.681 -30.508 1.00 0.00 C ATOM 384 CG GLN A 28 -21.489 -5.561 -29.379 1.00 0.00 C ATOM 385 CD GLN A 28 -20.371 -6.110 -28.515 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.357 -6.589 -29.023 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.550 -6.043 -27.201 1.00 0.00 N ATOM 0 H GLN A 28 -22.208 -2.622 -29.623 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.480 -3.657 -29.357 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.812 -4.419 -31.159 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.270 -5.251 -31.110 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.175 -4.986 -28.757 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.059 -6.390 -29.799 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.406 -5.638 -26.823 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.831 -6.397 -26.570 1.00 0.00 H new ATOM 396 N GLN A 29 -20.614 -2.012 -31.992 1.00 0.00 N ATOM 397 CA GLN A 29 -20.197 -1.247 -33.162 1.00 0.00 C ATOM 398 C GLN A 29 -19.188 -0.170 -32.776 1.00 0.00 C ATOM 399 O GLN A 29 -18.373 0.253 -33.596 1.00 0.00 O ATOM 400 CB GLN A 29 -21.411 -0.607 -33.838 1.00 0.00 C ATOM 401 CG GLN A 29 -22.237 0.263 -32.905 1.00 0.00 C ATOM 402 CD GLN A 29 -23.662 0.450 -33.390 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.909 1.153 -34.370 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.608 -0.181 -32.705 1.00 0.00 N ATOM 0 H GLN A 29 -21.621 -2.025 -31.833 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.720 -1.932 -33.862 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.072 -0.003 -34.679 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.046 -1.393 -34.246 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.251 -0.187 -31.912 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.760 1.238 -32.806 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.358 -0.754 -31.899 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.585 -0.093 -32.985 1.00 0.00 H new ATOM 413 N TYR A 30 -19.248 0.269 -31.524 1.00 0.00 N ATOM 414 CA TYR A 30 -18.342 1.298 -31.031 1.00 0.00 C ATOM 415 C TYR A 30 -16.955 0.721 -30.764 1.00 0.00 C ATOM 416 O TYR A 30 -15.954 1.437 -30.802 1.00 0.00 O ATOM 417 CB TYR A 30 -18.899 1.928 -29.753 1.00 0.00 C ATOM 418 CG TYR A 30 -20.277 2.525 -29.923 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.598 3.272 -31.050 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.260 2.341 -28.958 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.856 3.820 -31.209 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.521 2.884 -29.109 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.814 3.623 -30.237 1.00 0.00 C ATOM 424 OH TYR A 30 -24.069 4.166 -30.392 1.00 0.00 O ATOM 0 H TYR A 30 -19.915 -0.072 -30.832 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.254 2.067 -31.799 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.935 1.170 -28.970 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.215 2.706 -29.413 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.851 3.427 -31.815 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.034 1.763 -28.074 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.088 4.400 -32.090 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.273 2.731 -28.349 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.698 3.713 -29.792 1.00 0.00 H new ATOM 434 N ILE A 31 -16.905 -0.579 -30.494 1.00 0.00 N ATOM 435 CA ILE A 31 -15.642 -1.254 -30.222 1.00 0.00 C ATOM 436 C ILE A 31 -14.620 -0.969 -31.318 1.00 0.00 C ATOM 437 O ILE A 31 -13.463 -0.653 -31.036 1.00 0.00 O ATOM 438 CB ILE A 31 -15.833 -2.777 -30.098 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.852 -3.098 -29.002 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.503 -3.456 -29.807 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.118 -4.578 -28.839 1.00 0.00 C ATOM 0 H ILE A 31 -17.724 -1.186 -30.458 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.273 -0.864 -29.273 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.214 -3.159 -31.045 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.494 -2.695 -28.055 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.790 -2.591 -29.230 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.655 -4.532 -29.722 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.805 -3.251 -30.618 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.096 -3.072 -28.872 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.849 -4.731 -28.045 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.506 -4.983 -29.773 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.190 -5.088 -28.580 1.00 0.00 H new ATOM 453 N LYS A 32 -15.054 -1.082 -32.568 1.00 0.00 N ATOM 454 CA LYS A 32 -14.179 -0.833 -33.708 1.00 0.00 C ATOM 455 C LYS A 32 -13.556 0.557 -33.623 1.00 0.00 C ATOM 456 O LYS A 32 -12.465 0.791 -34.141 1.00 0.00 O ATOM 457 CB LYS A 32 -14.959 -0.975 -35.017 1.00 0.00 C ATOM 458 CG LYS A 32 -15.436 -2.391 -35.290 1.00 0.00 C ATOM 459 CD LYS A 32 -15.298 -2.752 -36.759 1.00 0.00 C ATOM 460 CE LYS A 32 -16.634 -3.157 -37.362 1.00 0.00 C ATOM 461 NZ LYS A 32 -16.961 -4.582 -37.081 1.00 0.00 N ATOM 0 H LYS A 32 -16.007 -1.345 -32.818 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.378 -1.572 -33.687 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.821 -0.309 -34.990 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.328 -0.647 -35.843 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.860 -3.093 -34.686 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.478 -2.490 -34.986 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.893 -1.901 -37.307 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.586 -3.570 -36.868 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.421 -2.518 -36.962 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.610 -2.996 -38.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.879 -4.818 -37.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.223 -5.194 -37.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.010 -4.731 -36.053 1.00 0.00 H new ATOM 475 N ASN A 33 -14.257 1.475 -32.965 1.00 0.00 N ATOM 476 CA ASN A 33 -13.771 2.842 -32.811 1.00 0.00 C ATOM 477 C ASN A 33 -12.829 2.953 -31.617 1.00 0.00 C ATOM 478 O ASN A 33 -11.908 3.771 -31.613 1.00 0.00 O ATOM 479 CB ASN A 33 -14.947 3.806 -32.639 1.00 0.00 C ATOM 480 CG ASN A 33 -15.949 3.704 -33.773 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.633 3.205 -34.853 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.166 4.177 -33.531 1.00 0.00 N ATOM 0 H ASN A 33 -15.162 1.298 -32.530 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.219 3.109 -33.712 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.449 3.597 -31.694 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.571 4.827 -32.581 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.883 4.135 -34.255 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.384 4.582 -32.621 1.00 0.00 H new ATOM 489 N PHE A 34 -13.064 2.125 -30.605 1.00 0.00 N ATOM 490 CA PHE A 34 -12.237 2.131 -29.404 1.00 0.00 C ATOM 491 C PHE A 34 -10.867 1.520 -29.685 1.00 0.00 C ATOM 492 O PHE A 34 -9.886 1.837 -29.014 1.00 0.00 O ATOM 493 CB PHE A 34 -12.930 1.361 -28.278 1.00 0.00 C ATOM 494 CG PHE A 34 -13.831 2.216 -27.434 1.00 0.00 C ATOM 495 CD1 PHE A 34 -14.947 2.825 -27.986 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.563 2.411 -26.088 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.778 3.613 -27.211 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.390 3.198 -25.309 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.500 3.798 -25.871 1.00 0.00 C ATOM 0 H PHE A 34 -13.821 1.441 -30.592 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.097 3.167 -29.094 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.514 0.548 -28.710 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.172 0.905 -27.640 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.170 2.683 -29.033 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.698 1.942 -25.643 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.644 4.083 -27.653 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.169 3.344 -24.262 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.149 4.411 -25.263 1.00 0.00 H new ATOM 509 N GLU A 35 -10.810 0.641 -30.680 1.00 0.00 N ATOM 510 CA GLU A 35 -9.562 -0.016 -31.049 1.00 0.00 C ATOM 511 C GLU A 35 -8.626 0.956 -31.762 1.00 0.00 C ATOM 512 O GLU A 35 -7.411 0.924 -31.563 1.00 0.00 O ATOM 513 CB GLU A 35 -9.840 -1.224 -31.946 1.00 0.00 C ATOM 514 CG GLU A 35 -9.400 -2.546 -31.340 1.00 0.00 C ATOM 515 CD GLU A 35 -7.892 -2.667 -31.237 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.195 -1.668 -31.514 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.408 -3.761 -30.879 1.00 0.00 O ATOM 0 H GLU A 35 -11.614 0.367 -31.245 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.077 -0.357 -30.134 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.908 -1.269 -32.159 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.330 -1.083 -32.899 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.838 -2.650 -30.347 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.786 -3.366 -31.946 1.00 0.00 H new ATOM 524 N ARG A 36 -9.200 1.819 -32.593 1.00 0.00 N ATOM 525 CA ARG A 36 -8.419 2.799 -33.338 1.00 0.00 C ATOM 526 C ARG A 36 -8.094 4.010 -32.468 1.00 0.00 C ATOM 527 O ARG A 36 -7.060 4.653 -32.643 1.00 0.00 O ATOM 528 CB ARG A 36 -9.178 3.245 -34.589 1.00 0.00 C ATOM 529 CG ARG A 36 -8.273 3.729 -35.710 1.00 0.00 C ATOM 530 CD ARG A 36 -8.610 5.154 -36.122 1.00 0.00 C ATOM 531 NE ARG A 36 -7.532 5.771 -36.890 1.00 0.00 N ATOM 532 CZ ARG A 36 -7.478 7.069 -37.168 1.00 0.00 C ATOM 533 NH1 ARG A 36 -8.435 7.882 -36.743 1.00 0.00 N ATOM 534 NH2 ARG A 36 -6.464 7.555 -37.873 1.00 0.00 N ATOM 0 H ARG A 36 -10.204 1.860 -32.768 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.483 2.327 -33.639 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.781 2.413 -34.954 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.868 4.045 -34.319 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.233 3.679 -35.387 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.372 3.067 -36.570 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.524 5.153 -36.716 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.809 5.751 -35.232 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.780 5.173 -37.232 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.216 7.511 -36.201 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.391 8.878 -36.958 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.726 6.932 -38.201 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.423 8.552 -38.086 1.00 0.00 H new ATOM 548 N GLU A 37 -8.986 4.315 -31.530 1.00 0.00 N ATOM 549 CA GLU A 37 -8.795 5.449 -30.634 1.00 0.00 C ATOM 550 C GLU A 37 -7.892 5.071 -29.463 1.00 0.00 C ATOM 551 O GLU A 37 -7.293 5.935 -28.822 1.00 0.00 O ATOM 552 CB GLU A 37 -10.143 5.949 -30.112 1.00 0.00 C ATOM 553 CG GLU A 37 -10.749 7.058 -30.956 1.00 0.00 C ATOM 554 CD GLU A 37 -10.449 8.439 -30.406 1.00 0.00 C ATOM 555 OE1 GLU A 37 -10.406 8.589 -29.167 1.00 0.00 O ATOM 556 OE2 GLU A 37 -10.256 9.371 -31.215 1.00 0.00 O ATOM 0 H GLU A 37 -9.848 3.792 -31.371 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.314 6.248 -31.199 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.840 5.112 -30.072 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.017 6.309 -29.091 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.366 6.985 -31.974 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.829 6.919 -31.011 1.00 0.00 H new ATOM 563 N LYS A 38 -7.800 3.774 -29.189 1.00 0.00 N ATOM 564 CA LYS A 38 -6.971 3.280 -28.097 1.00 0.00 C ATOM 565 C LYS A 38 -7.420 3.869 -26.763 1.00 0.00 C ATOM 566 O LYS A 38 -6.604 4.366 -25.987 1.00 0.00 O ATOM 567 CB LYS A 38 -5.501 3.622 -28.349 1.00 0.00 C ATOM 568 CG LYS A 38 -4.967 3.080 -29.663 1.00 0.00 C ATOM 569 CD LYS A 38 -4.424 1.670 -29.505 1.00 0.00 C ATOM 570 CE LYS A 38 -3.942 1.106 -30.833 1.00 0.00 C ATOM 571 NZ LYS A 38 -3.101 -0.109 -30.647 1.00 0.00 N ATOM 0 H LYS A 38 -8.290 3.046 -29.709 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.082 2.197 -28.052 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.382 4.705 -28.337 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.899 3.226 -27.531 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.762 3.083 -30.409 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.179 3.735 -30.034 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.601 1.674 -28.790 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.200 1.024 -29.094 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.802 0.861 -31.457 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.369 1.866 -31.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.792 -0.463 -31.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.267 0.130 -30.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.655 -0.844 -30.163 1.00 0.00 H new ATOM 585 N ILE A 39 -8.722 3.808 -26.503 1.00 0.00 N ATOM 586 CA ILE A 39 -9.278 4.333 -25.262 1.00 0.00 C ATOM 587 C ILE A 39 -8.706 3.603 -24.051 1.00 0.00 C ATOM 588 O ILE A 39 -9.002 2.430 -23.824 1.00 0.00 O ATOM 589 CB ILE A 39 -10.813 4.217 -25.239 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.420 4.955 -26.435 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.367 4.768 -23.934 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.140 6.441 -26.433 1.00 0.00 C ATOM 0 H ILE A 39 -9.411 3.400 -27.135 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.001 5.386 -25.213 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.084 3.164 -25.310 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.030 4.521 -27.356 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.498 4.797 -26.440 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.453 4.679 -23.933 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.956 4.203 -23.097 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.089 5.817 -23.835 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.600 6.899 -27.309 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.555 6.888 -25.530 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.063 6.608 -26.459 1.00 0.00 H new ATOM 604 N SER A 40 -7.887 4.306 -23.276 1.00 0.00 N ATOM 605 CA SER A 40 -7.272 3.725 -22.088 1.00 0.00 C ATOM 606 C SER A 40 -8.226 3.780 -20.900 1.00 0.00 C ATOM 607 O SER A 40 -9.233 4.486 -20.930 1.00 0.00 O ATOM 608 CB SER A 40 -5.973 4.460 -21.749 1.00 0.00 C ATOM 609 OG SER A 40 -5.653 5.415 -22.745 1.00 0.00 O ATOM 0 H SER A 40 -7.634 5.279 -23.449 1.00 0.00 H new ATOM 0 HA SER A 40 -7.045 2.680 -22.301 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.074 4.956 -20.784 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.159 3.741 -21.655 1.00 0.00 H new ATOM 0 HG SER A 40 -4.820 5.872 -22.504 1.00 0.00 H new ATOM 615 N GLY A 41 -7.901 3.028 -19.852 1.00 0.00 N ATOM 616 CA GLY A 41 -8.739 3.005 -18.667 1.00 0.00 C ATOM 617 C GLY A 41 -8.826 4.360 -17.992 1.00 0.00 C ATOM 618 O GLY A 41 -9.906 4.791 -17.588 1.00 0.00 O ATOM 0 H GLY A 41 -7.073 2.435 -19.803 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.741 2.674 -18.941 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.344 2.275 -17.960 1.00 0.00 H new ATOM 622 N ASP A 42 -7.687 5.031 -17.868 1.00 0.00 N ATOM 623 CA ASP A 42 -7.639 6.345 -17.236 1.00 0.00 C ATOM 624 C ASP A 42 -8.664 7.286 -17.861 1.00 0.00 C ATOM 625 O ASP A 42 -9.181 8.185 -17.198 1.00 0.00 O ATOM 626 CB ASP A 42 -6.237 6.943 -17.360 1.00 0.00 C ATOM 627 CG ASP A 42 -6.211 8.427 -17.051 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.496 9.229 -17.965 1.00 0.00 O ATOM 629 OD2 ASP A 42 -5.906 8.786 -15.894 1.00 0.00 O ATOM 0 H ASP A 42 -6.784 4.688 -18.196 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.881 6.222 -16.180 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.562 6.422 -16.682 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.863 6.779 -18.371 1.00 0.00 H new ATOM 634 N GLN A 43 -8.952 7.074 -19.141 1.00 0.00 N ATOM 635 CA GLN A 43 -9.914 7.905 -19.856 1.00 0.00 C ATOM 636 C GLN A 43 -11.316 7.312 -19.768 1.00 0.00 C ATOM 637 O GLN A 43 -12.312 8.037 -19.801 1.00 0.00 O ATOM 638 CB GLN A 43 -9.501 8.054 -21.321 1.00 0.00 C ATOM 639 CG GLN A 43 -8.858 9.395 -21.638 1.00 0.00 C ATOM 640 CD GLN A 43 -9.635 10.185 -22.672 1.00 0.00 C ATOM 641 OE1 GLN A 43 -10.316 11.157 -22.343 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.538 9.772 -23.930 1.00 0.00 N ATOM 0 H GLN A 43 -8.533 6.334 -19.704 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.926 8.889 -19.388 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.803 7.256 -21.576 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.380 7.923 -21.953 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.779 9.981 -20.722 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.843 9.230 -22.000 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.962 8.962 -24.158 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.039 10.265 -24.669 1.00 0.00 H new ATOM 651 N LEU A 44 -11.389 5.990 -19.656 1.00 0.00 N ATOM 652 CA LEU A 44 -12.670 5.299 -19.564 1.00 0.00 C ATOM 653 C LEU A 44 -13.339 5.569 -18.220 1.00 0.00 C ATOM 654 O LEU A 44 -14.551 5.778 -18.148 1.00 0.00 O ATOM 655 CB LEU A 44 -12.475 3.794 -19.756 1.00 0.00 C ATOM 656 CG LEU A 44 -13.715 2.924 -19.544 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.629 2.994 -20.758 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.314 1.485 -19.259 1.00 0.00 C ATOM 0 H LEU A 44 -10.576 5.375 -19.627 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.317 5.679 -20.354 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.103 3.622 -20.766 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.698 3.458 -19.069 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.260 3.306 -18.681 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.506 2.369 -20.590 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.944 4.025 -20.918 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.093 2.638 -21.638 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.209 0.880 -19.111 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.746 1.092 -20.102 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.699 1.450 -18.360 1.00 0.00 H new ATOM 670 N LEU A 45 -12.542 5.567 -17.157 1.00 0.00 N ATOM 671 CA LEU A 45 -13.056 5.815 -15.814 1.00 0.00 C ATOM 672 C LEU A 45 -13.649 7.216 -15.708 1.00 0.00 C ATOM 673 O LEU A 45 -14.649 7.427 -15.022 1.00 0.00 O ATOM 674 CB LEU A 45 -11.942 5.640 -14.780 1.00 0.00 C ATOM 675 CG LEU A 45 -11.481 4.205 -14.526 1.00 0.00 C ATOM 676 CD1 LEU A 45 -10.163 4.194 -13.767 1.00 0.00 C ATOM 677 CD2 LEU A 45 -12.545 3.430 -13.762 1.00 0.00 C ATOM 0 H LEU A 45 -11.537 5.396 -17.199 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.846 5.091 -15.614 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.081 6.226 -15.101 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.281 6.064 -13.835 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.326 3.718 -15.489 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.851 3.164 -13.595 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.402 4.711 -14.352 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.290 4.699 -12.809 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.200 2.411 -13.590 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.732 3.916 -12.804 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.467 3.408 -14.344 1.00 0.00 H new ATOM 689 N ARG A 46 -13.027 8.170 -16.394 1.00 0.00 N ATOM 690 CA ARG A 46 -13.495 9.551 -16.377 1.00 0.00 C ATOM 691 C ARG A 46 -14.083 9.942 -17.730 1.00 0.00 C ATOM 692 O ARG A 46 -13.975 11.092 -18.155 1.00 0.00 O ATOM 693 CB ARG A 46 -12.347 10.495 -16.016 1.00 0.00 C ATOM 694 CG ARG A 46 -11.252 10.555 -17.069 1.00 0.00 C ATOM 695 CD ARG A 46 -9.972 11.154 -16.508 1.00 0.00 C ATOM 696 NE ARG A 46 -9.268 11.965 -17.497 1.00 0.00 N ATOM 697 CZ ARG A 46 -8.107 12.566 -17.263 1.00 0.00 C ATOM 698 NH1 ARG A 46 -7.522 12.447 -16.080 1.00 0.00 N ATOM 699 NH2 ARG A 46 -7.528 13.288 -18.215 1.00 0.00 N ATOM 0 H ARG A 46 -12.199 8.012 -16.968 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.277 9.635 -15.622 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.747 11.497 -15.863 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.911 10.177 -15.069 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.051 9.552 -17.444 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.593 11.150 -17.916 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.209 11.767 -15.639 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.318 10.353 -16.164 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.691 12.076 -18.418 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.963 11.893 -15.346 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.630 12.910 -15.903 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.975 13.382 -19.127 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.636 13.749 -18.034 1.00 0.00 H new ATOM 713 N ILE A 47 -14.705 8.977 -18.400 1.00 0.00 N ATOM 714 CA ILE A 47 -15.310 9.221 -19.703 1.00 0.00 C ATOM 715 C ILE A 47 -16.646 9.943 -19.562 1.00 0.00 C ATOM 716 O ILE A 47 -17.466 9.596 -18.711 1.00 0.00 O ATOM 717 CB ILE A 47 -15.528 7.908 -20.477 1.00 0.00 C ATOM 718 CG1 ILE A 47 -15.942 8.204 -21.920 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.578 7.052 -19.784 1.00 0.00 C ATOM 720 CD1 ILE A 47 -14.906 7.792 -22.943 1.00 0.00 C ATOM 0 H ILE A 47 -14.803 8.020 -18.062 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.616 9.851 -20.260 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.590 7.354 -20.494 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -16.878 7.687 -22.134 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.137 9.272 -22.022 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.721 6.127 -20.343 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.246 6.817 -18.773 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.520 7.598 -19.739 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.267 8.032 -23.943 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.976 8.328 -22.755 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.728 6.719 -22.869 1.00 0.00 H new ATOM 732 N THR A 48 -16.861 10.949 -20.404 1.00 0.00 N ATOM 733 CA THR A 48 -18.097 11.719 -20.375 1.00 0.00 C ATOM 734 C THR A 48 -18.806 11.674 -21.724 1.00 0.00 C ATOM 735 O THR A 48 -18.217 11.285 -22.733 1.00 0.00 O ATOM 736 CB THR A 48 -17.835 13.189 -19.996 1.00 0.00 C ATOM 737 OG1 THR A 48 -19.070 13.911 -19.948 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.895 13.846 -20.996 1.00 0.00 C ATOM 0 H THR A 48 -16.194 11.249 -21.115 1.00 0.00 H new ATOM 0 HA THR A 48 -18.734 11.263 -19.617 1.00 0.00 H new ATOM 0 HB THR A 48 -17.366 13.209 -19.012 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.894 14.844 -19.705 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.725 14.883 -20.708 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.945 13.312 -21.007 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.341 13.814 -21.990 1.00 0.00 H new ATOM 746 N HIS A 49 -20.074 12.073 -21.735 1.00 0.00 N ATOM 747 CA HIS A 49 -20.863 12.079 -22.961 1.00 0.00 C ATOM 748 C HIS A 49 -20.134 12.828 -24.073 1.00 0.00 C ATOM 749 O HIS A 49 -20.205 12.446 -25.241 1.00 0.00 O ATOM 750 CB HIS A 49 -22.229 12.718 -22.711 1.00 0.00 C ATOM 751 CG HIS A 49 -23.288 11.733 -22.320 1.00 0.00 C ATOM 752 ND1 HIS A 49 -24.407 11.332 -22.969 1.00 0.00 N flip ATOM 753 CD2 HIS A 49 -23.266 11.036 -21.131 1.00 0.00 C flip ATOM 754 CE1 HIS A 49 -25.033 10.408 -22.168 1.00 0.00 C flip ATOM 755 NE2 HIS A 49 -24.323 10.247 -21.065 1.00 0.00 N flip ATOM 0 H HIS A 49 -20.577 12.396 -20.908 1.00 0.00 H new ATOM 0 HA HIS A 49 -21.006 11.045 -23.276 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -22.132 13.467 -21.925 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.547 13.242 -23.613 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -24.726 11.656 -23.882 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -22.503 11.122 -20.371 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.955 9.897 -22.402 1.00 0.00 H new ATOM 763 N GLN A 50 -19.435 13.895 -23.701 1.00 0.00 N ATOM 764 CA GLN A 50 -18.695 14.698 -24.667 1.00 0.00 C ATOM 765 C GLN A 50 -17.591 13.877 -25.326 1.00 0.00 C ATOM 766 O GLN A 50 -17.296 14.052 -26.507 1.00 0.00 O ATOM 767 CB GLN A 50 -18.094 15.929 -23.986 1.00 0.00 C ATOM 768 CG GLN A 50 -18.672 17.243 -24.486 1.00 0.00 C ATOM 769 CD GLN A 50 -19.445 17.986 -23.414 1.00 0.00 C ATOM 770 OE1 GLN A 50 -18.921 18.896 -22.772 1.00 0.00 O ATOM 771 NE2 GLN A 50 -20.700 17.600 -23.214 1.00 0.00 N ATOM 0 H GLN A 50 -19.366 14.224 -22.738 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.391 15.023 -25.440 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -18.257 15.855 -22.911 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -17.016 15.932 -24.145 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.863 17.876 -24.850 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -19.330 17.047 -25.333 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -21.095 16.841 -23.769 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -21.269 18.063 -22.505 1.00 0.00 H new ATOM 780 N GLU A 51 -16.985 12.982 -24.552 1.00 0.00 N ATOM 781 CA GLU A 51 -15.913 12.135 -25.061 1.00 0.00 C ATOM 782 C GLU A 51 -16.473 11.006 -25.922 1.00 0.00 C ATOM 783 O GLU A 51 -16.002 10.767 -27.035 1.00 0.00 O ATOM 784 CB GLU A 51 -15.100 11.552 -23.903 1.00 0.00 C ATOM 785 CG GLU A 51 -14.306 12.592 -23.132 1.00 0.00 C ATOM 786 CD GLU A 51 -12.966 12.897 -23.774 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.836 12.691 -24.999 1.00 0.00 O ATOM 788 OE2 GLU A 51 -12.049 13.340 -23.052 1.00 0.00 O ATOM 0 H GLU A 51 -17.218 12.825 -23.571 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.261 12.751 -25.680 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.776 11.041 -23.217 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.414 10.800 -24.294 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.889 13.510 -23.062 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.145 12.239 -22.113 1.00 0.00 H new ATOM 795 N LEU A 52 -17.481 10.316 -25.400 1.00 0.00 N ATOM 796 CA LEU A 52 -18.106 9.212 -26.120 1.00 0.00 C ATOM 797 C LEU A 52 -18.522 9.642 -27.523 1.00 0.00 C ATOM 798 O LEU A 52 -18.346 8.899 -28.488 1.00 0.00 O ATOM 799 CB LEU A 52 -19.325 8.700 -25.350 1.00 0.00 C ATOM 800 CG LEU A 52 -19.043 7.667 -24.258 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.265 7.480 -23.372 1.00 0.00 C ATOM 802 CD2 LEU A 52 -18.622 6.341 -24.875 1.00 0.00 C ATOM 0 H LEU A 52 -17.883 10.501 -24.481 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.375 8.409 -26.208 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.827 9.554 -24.894 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.024 8.263 -26.064 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.224 8.034 -23.640 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.046 6.741 -22.601 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.523 8.429 -22.902 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.104 7.135 -23.977 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.425 5.618 -24.084 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.420 5.969 -25.517 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.718 6.486 -25.467 1.00 0.00 H new ATOM 814 N GLU A 53 -19.071 10.848 -27.628 1.00 0.00 N ATOM 815 CA GLU A 53 -19.509 11.378 -28.914 1.00 0.00 C ATOM 816 C GLU A 53 -18.358 11.397 -29.916 1.00 0.00 C ATOM 817 O GLU A 53 -18.566 11.251 -31.120 1.00 0.00 O ATOM 818 CB GLU A 53 -20.075 12.789 -28.744 1.00 0.00 C ATOM 819 CG GLU A 53 -20.955 13.236 -29.900 1.00 0.00 C ATOM 820 CD GLU A 53 -21.081 14.744 -29.988 1.00 0.00 C ATOM 821 OE1 GLU A 53 -20.125 15.443 -29.590 1.00 0.00 O ATOM 822 OE2 GLU A 53 -22.134 15.226 -30.453 1.00 0.00 O ATOM 0 H GLU A 53 -19.223 11.476 -26.839 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.292 10.725 -29.299 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.653 12.830 -27.821 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.249 13.492 -28.634 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -20.543 12.855 -30.834 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.947 12.798 -29.787 1.00 0.00 H new ATOM 829 N ASP A 54 -17.144 11.580 -29.409 1.00 0.00 N ATOM 830 CA ASP A 54 -15.958 11.619 -30.257 1.00 0.00 C ATOM 831 C ASP A 54 -15.682 10.248 -30.867 1.00 0.00 C ATOM 832 O ASP A 54 -15.190 10.145 -31.992 1.00 0.00 O ATOM 833 CB ASP A 54 -14.744 12.087 -29.453 1.00 0.00 C ATOM 834 CG ASP A 54 -13.692 12.745 -30.324 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.917 12.852 -31.548 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.645 13.154 -29.781 1.00 0.00 O ATOM 0 H ASP A 54 -16.955 11.704 -28.414 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.143 12.327 -31.065 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.069 12.790 -28.686 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.303 11.234 -28.937 1.00 0.00 H new ATOM 841 N LEU A 55 -16.001 9.198 -30.119 1.00 0.00 N ATOM 842 CA LEU A 55 -15.787 7.833 -30.585 1.00 0.00 C ATOM 843 C LEU A 55 -16.778 7.471 -31.687 1.00 0.00 C ATOM 844 O LEU A 55 -16.482 6.657 -32.560 1.00 0.00 O ATOM 845 CB LEU A 55 -15.919 6.848 -29.422 1.00 0.00 C ATOM 846 CG LEU A 55 -14.658 6.623 -28.586 1.00 0.00 C ATOM 847 CD1 LEU A 55 -13.602 5.891 -29.400 1.00 0.00 C ATOM 848 CD2 LEU A 55 -14.114 7.949 -28.074 1.00 0.00 C ATOM 0 H LEU A 55 -16.409 9.266 -29.187 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.778 7.770 -30.994 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.711 7.201 -28.761 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.242 5.887 -29.821 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.920 6.004 -27.728 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.712 5.740 -28.789 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.993 4.924 -29.718 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.343 6.484 -30.277 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.217 7.770 -27.481 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.868 8.592 -28.919 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.867 8.436 -27.454 1.00 0.00 H new ATOM 860 N GLY A 56 -17.957 8.085 -31.640 1.00 0.00 N ATOM 861 CA GLY A 56 -18.973 7.816 -32.640 1.00 0.00 C ATOM 862 C GLY A 56 -20.355 7.664 -32.036 1.00 0.00 C ATOM 863 O GLY A 56 -21.362 7.787 -32.734 1.00 0.00 O ATOM 0 H GLY A 56 -18.226 8.763 -30.927 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.985 8.627 -33.368 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.714 6.906 -33.181 1.00 0.00 H new ATOM 867 N VAL A 57 -20.405 7.395 -30.736 1.00 0.00 N ATOM 868 CA VAL A 57 -21.674 7.226 -30.038 1.00 0.00 C ATOM 869 C VAL A 57 -22.502 8.505 -30.085 1.00 0.00 C ATOM 870 O VAL A 57 -22.335 9.396 -29.252 1.00 0.00 O ATOM 871 CB VAL A 57 -21.456 6.822 -28.567 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.780 6.462 -27.911 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.473 5.665 -28.473 1.00 0.00 C ATOM 0 H VAL A 57 -19.581 7.289 -30.144 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.213 6.429 -30.550 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.033 7.673 -28.033 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.607 6.179 -26.873 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.449 7.322 -27.946 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.235 5.627 -28.443 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.331 5.393 -27.427 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.866 4.808 -29.021 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.517 5.964 -28.903 1.00 0.00 H new ATOM 883 N SER A 58 -23.396 8.589 -31.065 1.00 0.00 N ATOM 884 CA SER A 58 -24.249 9.761 -31.223 1.00 0.00 C ATOM 885 C SER A 58 -25.488 9.654 -30.340 1.00 0.00 C ATOM 886 O SER A 58 -25.887 10.622 -29.692 1.00 0.00 O ATOM 887 CB SER A 58 -24.664 9.921 -32.687 1.00 0.00 C ATOM 888 OG SER A 58 -25.938 9.345 -32.922 1.00 0.00 O ATOM 0 H SER A 58 -23.548 7.859 -31.761 1.00 0.00 H new ATOM 0 HA SER A 58 -23.680 10.639 -30.916 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.686 10.979 -32.949 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.923 9.448 -33.332 1.00 0.00 H new ATOM 0 HG SER A 58 -26.181 9.462 -33.864 1.00 0.00 H new ATOM 894 N ARG A 59 -26.092 8.471 -30.319 1.00 0.00 N ATOM 895 CA ARG A 59 -27.286 8.236 -29.516 1.00 0.00 C ATOM 896 C ARG A 59 -27.013 8.515 -28.041 1.00 0.00 C ATOM 897 O ARG A 59 -25.861 8.545 -27.608 1.00 0.00 O ATOM 898 CB ARG A 59 -27.771 6.796 -29.693 1.00 0.00 C ATOM 899 CG ARG A 59 -29.175 6.692 -30.266 1.00 0.00 C ATOM 900 CD ARG A 59 -29.151 6.602 -31.784 1.00 0.00 C ATOM 901 NE ARG A 59 -29.817 5.397 -32.271 1.00 0.00 N ATOM 902 CZ ARG A 59 -31.137 5.244 -32.293 1.00 0.00 C ATOM 903 NH1 ARG A 59 -31.927 6.216 -31.858 1.00 0.00 N ATOM 904 NH2 ARG A 59 -31.668 4.118 -32.751 1.00 0.00 N ATOM 0 H ARG A 59 -25.774 7.660 -30.849 1.00 0.00 H new ATOM 0 HA ARG A 59 -28.064 8.918 -29.859 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -27.080 6.267 -30.349 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.744 6.291 -28.727 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.672 5.813 -29.856 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -29.759 7.560 -29.961 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -29.637 7.481 -32.207 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -28.118 6.611 -32.131 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.237 4.631 -32.613 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -31.522 7.083 -31.506 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -32.940 6.096 -31.876 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -31.063 3.368 -33.087 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -32.681 4.002 -32.767 1.00 0.00 H new ATOM 918 N ILE A 60 -28.080 8.719 -27.276 1.00 0.00 N ATOM 919 CA ILE A 60 -27.955 8.995 -25.850 1.00 0.00 C ATOM 920 C ILE A 60 -28.175 7.732 -25.024 1.00 0.00 C ATOM 921 O ILE A 60 -27.505 7.512 -24.017 1.00 0.00 O ATOM 922 CB ILE A 60 -28.956 10.073 -25.395 1.00 0.00 C ATOM 923 CG1 ILE A 60 -28.763 11.355 -26.208 1.00 0.00 C ATOM 924 CG2 ILE A 60 -28.795 10.353 -23.908 1.00 0.00 C ATOM 925 CD1 ILE A 60 -27.384 11.959 -26.064 1.00 0.00 C ATOM 0 H ILE A 60 -29.040 8.698 -27.619 1.00 0.00 H new ATOM 0 HA ILE A 60 -26.941 9.361 -25.687 1.00 0.00 H new ATOM 0 HB ILE A 60 -29.967 9.704 -25.567 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -28.949 11.140 -27.260 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -29.507 12.089 -25.897 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -29.510 11.117 -23.602 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -28.978 9.439 -23.344 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -27.782 10.704 -23.711 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -27.319 12.864 -26.667 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.202 12.206 -25.018 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -26.636 11.242 -26.403 1.00 0.00 H new ATOM 937 N GLY A 61 -29.119 6.904 -25.460 1.00 0.00 N ATOM 938 CA GLY A 61 -29.410 5.671 -24.751 1.00 0.00 C ATOM 939 C GLY A 61 -28.209 4.749 -24.675 1.00 0.00 C ATOM 940 O GLY A 61 -28.127 3.896 -23.790 1.00 0.00 O ATOM 0 H GLY A 61 -29.688 7.065 -26.291 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.748 5.907 -23.742 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.230 5.154 -25.249 1.00 0.00 H new ATOM 944 N HIS A 62 -27.275 4.918 -25.606 1.00 0.00 N ATOM 945 CA HIS A 62 -26.073 4.093 -25.641 1.00 0.00 C ATOM 946 C HIS A 62 -24.982 4.685 -24.755 1.00 0.00 C ATOM 947 O HIS A 62 -24.331 3.969 -23.995 1.00 0.00 O ATOM 948 CB HIS A 62 -25.564 3.958 -27.076 1.00 0.00 C ATOM 949 CG HIS A 62 -26.603 3.466 -28.037 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.694 3.911 -29.339 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.597 2.562 -27.879 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.701 3.302 -29.940 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.265 2.478 -29.076 1.00 0.00 N ATOM 0 H HIS A 62 -27.328 5.618 -26.346 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.329 3.104 -25.260 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.197 4.927 -27.415 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.716 3.273 -27.089 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.823 2.009 -26.979 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.010 3.453 -30.964 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -29.067 1.877 -29.267 1.00 0.00 H new ATOM 961 N GLN A 63 -24.787 5.996 -24.859 1.00 0.00 N ATOM 962 CA GLN A 63 -23.773 6.683 -24.068 1.00 0.00 C ATOM 963 C GLN A 63 -23.933 6.365 -22.585 1.00 0.00 C ATOM 964 O GLN A 63 -22.953 6.319 -21.842 1.00 0.00 O ATOM 965 CB GLN A 63 -23.860 8.193 -24.290 1.00 0.00 C ATOM 966 CG GLN A 63 -23.287 8.646 -25.624 1.00 0.00 C ATOM 967 CD GLN A 63 -23.216 10.155 -25.747 1.00 0.00 C ATOM 968 OE1 GLN A 63 -22.448 10.811 -25.043 1.00 0.00 O ATOM 969 NE2 GLN A 63 -24.019 10.715 -26.645 1.00 0.00 N ATOM 0 H GLN A 63 -25.318 6.603 -25.483 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.794 6.331 -24.393 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -24.904 8.501 -24.229 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.330 8.701 -23.485 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.288 8.228 -25.746 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.900 8.248 -26.432 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.640 10.133 -27.207 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -24.015 11.727 -26.772 1.00 0.00 H new ATOM 978 N GLU A 64 -25.174 6.148 -22.161 1.00 0.00 N ATOM 979 CA GLU A 64 -25.461 5.837 -20.766 1.00 0.00 C ATOM 980 C GLU A 64 -25.294 4.344 -20.496 1.00 0.00 C ATOM 981 O GLU A 64 -24.941 3.937 -19.389 1.00 0.00 O ATOM 982 CB GLU A 64 -26.882 6.276 -20.404 1.00 0.00 C ATOM 983 CG GLU A 64 -26.975 7.725 -19.958 1.00 0.00 C ATOM 984 CD GLU A 64 -27.791 7.895 -18.691 1.00 0.00 C ATOM 985 OE1 GLU A 64 -27.213 7.762 -17.592 1.00 0.00 O ATOM 986 OE2 GLU A 64 -29.007 8.159 -18.799 1.00 0.00 O ATOM 0 H GLU A 64 -25.996 6.182 -22.764 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.751 6.383 -20.145 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.530 6.128 -21.268 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.260 5.634 -19.608 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.971 8.116 -19.794 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.422 8.319 -20.756 1.00 0.00 H new ATOM 993 N LEU A 65 -25.551 3.532 -21.516 1.00 0.00 N ATOM 994 CA LEU A 65 -25.431 2.084 -21.391 1.00 0.00 C ATOM 995 C LEU A 65 -24.036 1.693 -20.913 1.00 0.00 C ATOM 996 O LEU A 65 -23.886 0.845 -20.033 1.00 0.00 O ATOM 997 CB LEU A 65 -25.731 1.410 -22.731 1.00 0.00 C ATOM 998 CG LEU A 65 -27.042 0.627 -22.809 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.486 0.473 -24.256 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -26.892 -0.735 -22.148 1.00 0.00 C ATOM 0 H LEU A 65 -25.844 3.852 -22.439 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.157 1.746 -20.651 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.742 2.176 -23.506 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.911 0.731 -22.965 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.808 1.186 -22.272 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.421 -0.087 -24.292 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.636 1.458 -24.697 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.720 -0.063 -24.817 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -27.835 -1.277 -22.214 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.112 -1.302 -22.656 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.621 -0.603 -21.100 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.019 2.318 -21.498 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.637 2.038 -21.129 1.00 0.00 C ATOM 1014 C ILE A 66 -21.323 2.564 -19.732 1.00 0.00 C ATOM 1015 O ILE A 66 -20.812 1.833 -18.882 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.649 2.660 -22.134 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -20.952 2.169 -23.551 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.217 2.323 -21.746 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.236 2.953 -24.628 1.00 0.00 C ATOM 0 H ILE A 66 -23.126 3.021 -22.229 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.521 0.954 -21.141 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.766 3.744 -22.113 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.672 1.119 -23.631 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.027 2.226 -23.725 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.530 2.769 -22.465 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -19.007 2.717 -20.752 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.086 1.241 -21.743 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.498 2.550 -25.606 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.535 4.000 -24.575 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.159 2.875 -24.480 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.634 3.834 -19.501 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.388 4.459 -18.206 1.00 0.00 C ATOM 1033 C LEU A 67 -21.996 3.632 -17.078 1.00 0.00 C ATOM 1034 O LEU A 67 -21.348 3.379 -16.063 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.964 5.876 -18.183 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.436 6.832 -19.253 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.404 7.986 -19.462 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.058 7.353 -18.870 1.00 0.00 C ATOM 0 H LEU A 67 -22.057 4.452 -20.194 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.310 4.510 -18.054 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.047 5.808 -18.287 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.764 6.312 -17.204 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.348 6.284 -20.191 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.012 8.656 -20.227 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.371 7.597 -19.782 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.525 8.534 -18.527 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.698 8.032 -19.643 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.121 7.885 -17.921 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.367 6.516 -18.772 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.244 3.213 -17.265 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.938 2.413 -16.263 1.00 0.00 C ATOM 1052 C GLU A 68 -23.123 1.178 -15.891 1.00 0.00 C ATOM 1053 O GLU A 68 -23.230 0.662 -14.779 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.316 1.992 -16.779 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.207 1.383 -15.710 1.00 0.00 C ATOM 1056 CD GLU A 68 -26.739 2.417 -14.736 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -26.881 3.591 -15.138 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -27.013 2.053 -13.574 1.00 0.00 O ATOM 0 H GLU A 68 -23.794 3.414 -18.100 1.00 0.00 H new ATOM 0 HA GLU A 68 -24.064 3.026 -15.370 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.816 2.862 -17.205 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.187 1.271 -17.587 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -27.044 0.874 -16.187 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -25.645 0.627 -15.161 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.308 0.709 -16.831 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.474 -0.464 -16.603 1.00 0.00 C ATOM 1067 C ALA A 69 -20.167 -0.083 -15.915 1.00 0.00 C ATOM 1068 O ALA A 69 -19.710 -0.771 -15.003 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.192 -1.175 -17.918 1.00 0.00 C ATOM 0 H ALA A 69 -22.208 1.124 -17.757 1.00 0.00 H new ATOM 0 HA ALA A 69 -22.017 -1.142 -15.945 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.568 -2.049 -17.732 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.132 -1.490 -18.370 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.673 -0.496 -18.595 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.569 1.018 -16.360 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.315 1.491 -15.787 1.00 0.00 C ATOM 1077 C VAL A 70 -18.454 1.739 -14.289 1.00 0.00 C ATOM 1078 O VAL A 70 -17.513 1.525 -13.524 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.840 2.788 -16.469 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.547 3.281 -15.837 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.662 2.569 -17.964 1.00 0.00 C ATOM 0 H VAL A 70 -19.933 1.599 -17.115 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.575 0.709 -15.956 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.602 3.554 -16.325 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.227 4.198 -16.332 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.712 3.479 -14.778 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.775 2.520 -15.948 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.326 3.495 -18.430 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.920 1.789 -18.132 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.613 2.266 -18.403 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.633 2.191 -13.877 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.897 2.467 -12.470 1.00 0.00 C ATOM 1093 C ASP A 71 -19.626 1.233 -11.614 1.00 0.00 C ATOM 1094 O ASP A 71 -19.279 1.344 -10.437 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.343 2.927 -12.280 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.504 3.857 -11.094 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.697 3.756 -10.147 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.437 4.686 -11.114 1.00 0.00 O ATOM 0 H ASP A 71 -20.421 2.374 -14.498 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.226 3.264 -12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.682 3.434 -13.184 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.983 2.056 -12.144 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.787 0.058 -12.212 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.561 -1.198 -11.504 1.00 0.00 C ATOM 1105 C LEU A 72 -18.072 -1.513 -11.417 1.00 0.00 C ATOM 1106 O LEU A 72 -17.610 -2.119 -10.449 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.296 -2.341 -12.207 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.824 -2.278 -12.174 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.423 -3.468 -12.905 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.324 -2.224 -10.738 1.00 0.00 C ATOM 0 H LEU A 72 -20.073 -0.052 -13.185 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.951 -1.092 -10.492 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -19.976 -2.366 -13.249 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.981 -3.281 -11.754 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.142 -1.368 -12.683 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.511 -3.406 -12.871 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.091 -3.462 -13.943 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.097 -4.391 -12.426 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.413 -2.180 -10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.995 -3.116 -10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.923 -1.338 -10.246 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.324 -1.097 -12.433 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.885 -1.333 -12.471 1.00 0.00 C ATOM 1124 C LEU A 73 -15.185 -0.614 -11.322 1.00 0.00 C ATOM 1125 O LEU A 73 -14.320 -1.183 -10.655 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.306 -0.867 -13.808 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.052 -1.960 -14.847 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.689 -1.346 -16.190 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -13.953 -2.900 -14.374 1.00 0.00 C ATOM 0 H LEU A 73 -17.690 -0.595 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.715 -2.404 -12.363 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.987 -0.134 -14.240 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.365 -0.352 -13.614 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.968 -2.537 -14.970 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.512 -2.139 -16.917 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.508 -0.714 -16.535 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.787 -0.744 -16.083 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.786 -3.671 -15.126 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.033 -2.336 -14.221 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.252 -3.367 -13.436 1.00 0.00 H new