USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 836 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 100 LYS NZ :NH3+ -120:sc= -1.88! (180deg=-0.941) USER MOD Set 1.2: A 105 GLN : amide:sc= -0.049 K(o=-1.9,f=-4.1) USER MOD Set 2.1: A 93 LYS NZ :NH3+ -135:sc= -0.401 (180deg=-1.87!) USER MOD Set 2.2: A 95 TYR OH : rot 180:sc= 0.272 USER MOD Set 3.1: A 20 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 44 ASN : amide:sc= -2.54! C(o=-2.5!,f=-9.2!) USER MOD Single : A 3 GLN : amide:sc= -0.808 K(o=-0.81,f=-0.0045) USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.11) USER MOD Single : A 8 CYS SG : rot -170:sc= -0.122 USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 1.03 (180deg=1.03) USER MOD Single : A 17 THR OG1 : rot -130:sc= -0.108 USER MOD Single : A 27 GLN : amide:sc= -0.206! C(o=-0.21!,f=-4.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.011) USER MOD Single : A 36 SER OG : rot 180:sc= 0.369 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 160:sc= -3.04! USER MOD Single : A 51 SER OG : rot 180:sc= -2.12! USER MOD Single : A 52 SER OG : rot 180:sc= 0.148 USER MOD Single : A 55 SER OG : rot -17:sc= 0.121 USER MOD Single : A 62 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.8!) USER MOD Single : A 63 GLN : amide:sc= -0.0322 X(o=-0.032,f=0.21) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= -0.0247 (180deg=-0.175) USER MOD Single : A 75 GLN : amide:sc= -0.668! C(o=-0.67!,f=-8.8!) USER MOD Single : A 80 SER OG : rot 180:sc= 0.00572 USER MOD Single : A 84 CYS SG : rot -62:sc= -2.21! USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.7) USER MOD Single : A 91 SER OG : rot 88:sc= 0.266 USER MOD Single : A 94 HIS : no HE2:sc= 1.05 K(o=1.2,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -15.691 5.667 6.052 1.00 0.00 N ATOM 29 CA GLN A 3 -16.325 5.632 4.746 1.00 0.00 C ATOM 30 C GLN A 3 -15.512 4.734 3.825 1.00 0.00 C ATOM 31 O GLN A 3 -14.723 5.209 3.009 1.00 0.00 O ATOM 32 CB GLN A 3 -16.447 7.037 4.152 1.00 0.00 C ATOM 33 CG GLN A 3 -17.855 7.384 3.676 1.00 0.00 C ATOM 34 CD GLN A 3 -18.355 6.496 2.548 1.00 0.00 C ATOM 35 OE1 GLN A 3 -19.552 6.231 2.439 1.00 0.00 O ATOM 36 NE2 GLN A 3 -17.452 6.047 1.686 1.00 0.00 N ATOM 0 HA GLN A 3 -17.334 5.233 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -16.137 7.766 4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.757 7.128 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.543 7.308 4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.871 8.422 3.344 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.468 6.287 1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -17.742 5.462 0.902 1.00 0.00 H new ATOM 45 N TRP A 4 -15.670 3.432 4.020 1.00 0.00 N ATOM 46 CA TRP A 4 -14.970 2.434 3.225 1.00 0.00 C ATOM 47 C TRP A 4 -15.352 2.544 1.748 1.00 0.00 C ATOM 48 O TRP A 4 -16.443 2.134 1.344 1.00 0.00 O ATOM 49 CB TRP A 4 -15.290 1.030 3.748 1.00 0.00 C ATOM 50 CG TRP A 4 -14.695 0.730 5.094 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.185 1.099 6.315 1.00 0.00 C ATOM 52 CD2 TRP A 4 -13.507 -0.026 5.356 1.00 0.00 C ATOM 53 NE1 TRP A 4 -14.365 0.630 7.314 1.00 0.00 N ATOM 54 CE2 TRP A 4 -13.331 -0.066 6.750 1.00 0.00 C ATOM 55 CE3 TRP A 4 -12.573 -0.669 4.544 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -12.261 -0.727 7.347 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -11.515 -1.326 5.137 1.00 0.00 C ATOM 58 CH2 TRP A 4 -11.365 -1.350 6.527 1.00 0.00 C ATOM 0 H TRP A 4 -16.286 3.039 4.732 1.00 0.00 H new ATOM 0 HA TRP A 4 -13.899 2.615 3.314 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.372 0.913 3.806 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -14.928 0.294 3.030 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.085 1.675 6.472 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -14.505 0.777 8.314 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -12.676 -0.653 3.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.144 -0.746 8.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -10.789 -1.831 4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.524 -1.871 6.960 1.00 0.00 H new ATOM 69 N LYS A 5 -14.455 3.116 0.955 1.00 0.00 N ATOM 70 CA LYS A 5 -14.693 3.301 -0.472 1.00 0.00 C ATOM 71 C LYS A 5 -14.613 1.982 -1.223 1.00 0.00 C ATOM 72 O LYS A 5 -13.695 1.190 -1.004 1.00 0.00 O ATOM 73 CB LYS A 5 -13.680 4.274 -1.080 1.00 0.00 C ATOM 74 CG LYS A 5 -13.847 5.720 -0.634 1.00 0.00 C ATOM 75 CD LYS A 5 -12.965 6.653 -1.455 1.00 0.00 C ATOM 76 CE LYS A 5 -13.330 6.602 -2.934 1.00 0.00 C ATOM 77 NZ LYS A 5 -12.437 7.448 -3.769 1.00 0.00 N ATOM 0 H LYS A 5 -13.551 3.462 1.277 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.698 3.712 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.675 3.941 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.760 4.231 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.891 6.017 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.593 5.810 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.071 7.674 -1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.919 6.375 -1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.279 5.570 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.361 6.931 -3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.552 7.192 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.685 8.449 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.448 7.296 -3.484 1.00 0.00 H new ATOM 91 N ASP A 6 -15.576 1.754 -2.103 1.00 0.00 N ATOM 92 CA ASP A 6 -15.557 0.587 -2.973 1.00 0.00 C ATOM 93 C ASP A 6 -14.658 0.872 -4.169 1.00 0.00 C ATOM 94 O ASP A 6 -15.013 1.663 -5.045 1.00 0.00 O ATOM 95 CB ASP A 6 -16.967 0.245 -3.468 1.00 0.00 C ATOM 96 CG ASP A 6 -17.978 0.096 -2.348 1.00 0.00 C ATOM 97 OD1 ASP A 6 -18.055 -0.991 -1.737 1.00 0.00 O ATOM 98 OD2 ASP A 6 -18.719 1.064 -2.081 1.00 0.00 O ATOM 0 H ASP A 6 -16.383 2.364 -2.234 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.177 -0.263 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.304 1.025 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.929 -0.683 -4.039 1.00 0.00 H new ATOM 103 N ILE A 7 -13.485 0.257 -4.196 1.00 0.00 N ATOM 104 CA ILE A 7 -12.521 0.517 -5.260 1.00 0.00 C ATOM 105 C ILE A 7 -12.775 -0.390 -6.459 1.00 0.00 C ATOM 106 O ILE A 7 -13.278 0.049 -7.493 1.00 0.00 O ATOM 107 CB ILE A 7 -11.067 0.320 -4.776 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.801 1.170 -3.532 1.00 0.00 C ATOM 109 CG2 ILE A 7 -10.085 0.675 -5.886 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.990 2.653 -3.759 1.00 0.00 C ATOM 0 H ILE A 7 -13.177 -0.421 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.653 1.558 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.926 -0.729 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.467 0.846 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.781 0.990 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.065 0.531 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.262 0.032 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.224 1.717 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.784 3.192 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.306 2.992 -4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.017 2.845 -4.070 1.00 0.00 H new ATOM 122 N CYS A 8 -12.433 -1.655 -6.303 1.00 0.00 N ATOM 123 CA CYS A 8 -12.568 -2.625 -7.373 1.00 0.00 C ATOM 124 C CYS A 8 -12.546 -4.014 -6.771 1.00 0.00 C ATOM 125 O CYS A 8 -12.229 -4.172 -5.599 1.00 0.00 O ATOM 126 CB CYS A 8 -11.426 -2.462 -8.385 1.00 0.00 C ATOM 127 SG CYS A 8 -11.658 -3.374 -9.930 1.00 0.00 S ATOM 0 H CYS A 8 -12.056 -2.038 -5.436 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.510 -2.467 -7.899 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.311 -1.403 -8.617 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.496 -2.790 -7.920 1.00 0.00 H new ATOM 0 HG CYS A 8 -10.558 -3.342 -10.622 1.00 0.00 H new ATOM 133 N LYS A 9 -12.881 -5.012 -7.560 1.00 0.00 N ATOM 134 CA LYS A 9 -12.884 -6.382 -7.082 1.00 0.00 C ATOM 135 C LYS A 9 -11.464 -6.867 -6.816 1.00 0.00 C ATOM 136 O LYS A 9 -10.519 -6.447 -7.484 1.00 0.00 O ATOM 137 CB LYS A 9 -13.560 -7.286 -8.104 1.00 0.00 C ATOM 138 CG LYS A 9 -15.059 -7.069 -8.207 1.00 0.00 C ATOM 139 CD LYS A 9 -15.814 -7.886 -7.172 1.00 0.00 C ATOM 140 CE LYS A 9 -17.313 -7.814 -7.398 1.00 0.00 C ATOM 141 NZ LYS A 9 -18.058 -8.783 -6.553 1.00 0.00 N ATOM 0 H LYS A 9 -13.155 -4.903 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.440 -6.419 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.108 -7.117 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.369 -8.326 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.284 -6.011 -8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.399 -7.342 -9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.487 -8.925 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.577 -7.520 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.662 -6.804 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.530 -8.010 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.079 -8.673 -6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.770 -9.751 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.847 -8.603 -5.551 1.00 0.00 H new ATOM 155 N ILE A 10 -11.322 -7.756 -5.841 1.00 0.00 N ATOM 156 CA ILE A 10 -10.024 -8.321 -5.500 1.00 0.00 C ATOM 157 C ILE A 10 -9.549 -9.250 -6.619 1.00 0.00 C ATOM 158 O ILE A 10 -8.382 -9.637 -6.686 1.00 0.00 O ATOM 159 CB ILE A 10 -10.078 -9.078 -4.149 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.674 -9.479 -3.691 1.00 0.00 C ATOM 161 CG2 ILE A 10 -10.972 -10.303 -4.247 1.00 0.00 C ATOM 162 CD1 ILE A 10 -7.765 -8.298 -3.439 1.00 0.00 C ATOM 0 H ILE A 10 -12.094 -8.102 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.312 -7.503 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.502 -8.402 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.752 -10.069 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.222 -10.121 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.993 -10.816 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.983 -9.995 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.583 -10.977 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.786 -8.654 -3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.657 -7.720 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.195 -7.667 -2.661 1.00 0.00 H new ATOM 174 N ASP A 11 -10.472 -9.594 -7.506 1.00 0.00 N ATOM 175 CA ASP A 11 -10.155 -10.375 -8.694 1.00 0.00 C ATOM 176 C ASP A 11 -9.266 -9.579 -9.647 1.00 0.00 C ATOM 177 O ASP A 11 -8.476 -10.146 -10.404 1.00 0.00 O ATOM 178 CB ASP A 11 -11.442 -10.784 -9.407 1.00 0.00 C ATOM 179 CG ASP A 11 -11.179 -11.624 -10.636 1.00 0.00 C ATOM 180 OD1 ASP A 11 -10.918 -12.833 -10.483 1.00 0.00 O ATOM 181 OD2 ASP A 11 -11.247 -11.081 -11.761 1.00 0.00 O ATOM 0 H ASP A 11 -11.457 -9.341 -7.424 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.614 -11.268 -8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.074 -11.343 -8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.995 -9.890 -9.693 1.00 0.00 H new ATOM 186 N ASP A 12 -9.381 -8.262 -9.584 1.00 0.00 N ATOM 187 CA ASP A 12 -8.613 -7.378 -10.452 1.00 0.00 C ATOM 188 C ASP A 12 -7.171 -7.266 -9.969 1.00 0.00 C ATOM 189 O ASP A 12 -6.229 -7.295 -10.762 1.00 0.00 O ATOM 190 CB ASP A 12 -9.279 -6.001 -10.498 1.00 0.00 C ATOM 191 CG ASP A 12 -8.478 -4.973 -11.268 1.00 0.00 C ATOM 192 OD1 ASP A 12 -8.064 -5.260 -12.412 1.00 0.00 O ATOM 193 OD2 ASP A 12 -8.287 -3.856 -10.747 1.00 0.00 O ATOM 0 H ASP A 12 -10.003 -7.777 -8.937 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.594 -7.796 -11.458 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.265 -6.097 -10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.431 -5.644 -9.479 1.00 0.00 H new ATOM 198 N ILE A 13 -7.006 -7.173 -8.663 1.00 0.00 N ATOM 199 CA ILE A 13 -5.685 -7.054 -8.064 1.00 0.00 C ATOM 200 C ILE A 13 -5.122 -8.432 -7.745 1.00 0.00 C ATOM 201 O ILE A 13 -5.602 -9.114 -6.844 1.00 0.00 O ATOM 202 CB ILE A 13 -5.724 -6.212 -6.773 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.453 -4.889 -7.022 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.309 -5.953 -6.268 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.653 -4.058 -5.771 1.00 0.00 C ATOM 0 H ILE A 13 -7.773 -7.177 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.043 -6.552 -8.788 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.268 -6.769 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.889 -4.305 -7.749 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.426 -5.099 -7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.351 -5.357 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.818 -6.903 -6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.745 -5.413 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.176 -3.136 -6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.244 -4.623 -5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.683 -3.816 -5.336 1.00 0.00 H new ATOM 217 N LEU A 14 -4.113 -8.840 -8.498 1.00 0.00 N ATOM 218 CA LEU A 14 -3.480 -10.141 -8.309 1.00 0.00 C ATOM 219 C LEU A 14 -2.505 -10.098 -7.129 1.00 0.00 C ATOM 220 O LEU A 14 -2.176 -9.019 -6.635 1.00 0.00 O ATOM 221 CB LEU A 14 -2.738 -10.543 -9.589 1.00 0.00 C ATOM 222 CG LEU A 14 -3.596 -10.601 -10.857 1.00 0.00 C ATOM 223 CD1 LEU A 14 -2.743 -10.966 -12.060 1.00 0.00 C ATOM 224 CD2 LEU A 14 -4.732 -11.598 -10.695 1.00 0.00 C ATOM 0 H LEU A 14 -3.710 -8.285 -9.253 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.252 -10.880 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.924 -9.837 -9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.284 -11.522 -9.433 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.027 -9.613 -11.021 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.369 -11.003 -12.952 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.963 -10.216 -12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.284 -11.941 -11.898 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.328 -11.622 -11.607 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.321 -12.589 -10.503 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.363 -11.298 -9.858 1.00 0.00 H new ATOM 236 N PRO A 15 -2.042 -11.263 -6.644 1.00 0.00 N ATOM 237 CA PRO A 15 -1.024 -11.324 -5.590 1.00 0.00 C ATOM 238 C PRO A 15 0.275 -10.632 -6.008 1.00 0.00 C ATOM 239 O PRO A 15 0.652 -10.661 -7.180 1.00 0.00 O ATOM 240 CB PRO A 15 -0.791 -12.825 -5.380 1.00 0.00 C ATOM 241 CG PRO A 15 -1.366 -13.490 -6.586 1.00 0.00 C ATOM 242 CD PRO A 15 -2.485 -12.607 -7.057 1.00 0.00 C ATOM 0 HA PRO A 15 -1.349 -10.811 -4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.271 -13.047 -5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.278 -13.174 -4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.610 -13.609 -7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.733 -14.487 -6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.624 -12.672 -8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.435 -12.878 -6.596 1.00 0.00 H new ATOM 250 N GLU A 16 0.929 -9.993 -5.042 1.00 0.00 N ATOM 251 CA GLU A 16 2.158 -9.232 -5.280 1.00 0.00 C ATOM 252 C GLU A 16 1.912 -8.065 -6.232 1.00 0.00 C ATOM 253 O GLU A 16 2.827 -7.616 -6.922 1.00 0.00 O ATOM 254 CB GLU A 16 3.272 -10.122 -5.834 1.00 0.00 C ATOM 255 CG GLU A 16 3.844 -11.093 -4.820 1.00 0.00 C ATOM 256 CD GLU A 16 5.029 -11.858 -5.371 1.00 0.00 C ATOM 257 OE1 GLU A 16 4.819 -12.934 -5.968 1.00 0.00 O ATOM 258 OE2 GLU A 16 6.174 -11.379 -5.224 1.00 0.00 O ATOM 0 H GLU A 16 0.623 -9.987 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 16 2.477 -8.838 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.885 -10.685 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.076 -9.489 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.149 -10.547 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.069 -11.796 -4.515 1.00 0.00 H new ATOM 265 N THR A 17 0.694 -7.547 -6.242 1.00 0.00 N ATOM 266 CA THR A 17 0.346 -6.474 -7.166 1.00 0.00 C ATOM 267 C THR A 17 -0.130 -5.233 -6.419 1.00 0.00 C ATOM 268 O THR A 17 -0.895 -5.327 -5.460 1.00 0.00 O ATOM 269 CB THR A 17 -0.750 -6.920 -8.155 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.411 -8.195 -8.717 1.00 0.00 O ATOM 271 CG2 THR A 17 -0.926 -5.907 -9.277 1.00 0.00 C ATOM 0 H THR A 17 -0.064 -7.846 -5.629 1.00 0.00 H new ATOM 0 HA THR A 17 1.251 -6.230 -7.723 1.00 0.00 H new ATOM 0 HB THR A 17 -1.688 -6.994 -7.605 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.491 -8.154 -9.693 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.705 -6.250 -9.958 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.211 -4.943 -8.855 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.012 -5.802 -9.823 1.00 0.00 H new ATOM 279 N GLY A 18 0.341 -4.078 -6.861 1.00 0.00 N ATOM 280 CA GLY A 18 -0.113 -2.826 -6.304 1.00 0.00 C ATOM 281 C GLY A 18 -0.721 -1.950 -7.374 1.00 0.00 C ATOM 282 O GLY A 18 -0.252 -1.948 -8.512 1.00 0.00 O ATOM 0 H GLY A 18 1.036 -3.987 -7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.849 -3.016 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.723 -2.307 -5.835 1.00 0.00 H new ATOM 286 N VAL A 19 -1.772 -1.223 -7.026 1.00 0.00 N ATOM 287 CA VAL A 19 -2.449 -0.351 -7.978 1.00 0.00 C ATOM 288 C VAL A 19 -2.702 1.023 -7.366 1.00 0.00 C ATOM 289 O VAL A 19 -2.746 1.167 -6.142 1.00 0.00 O ATOM 290 CB VAL A 19 -3.791 -0.952 -8.456 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.560 -2.244 -9.228 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.730 -1.189 -7.282 1.00 0.00 C ATOM 0 H VAL A 19 -2.176 -1.219 -6.090 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.790 -0.251 -8.840 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.262 -0.233 -9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.518 -2.649 -9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.936 -2.041 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.060 -2.968 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.667 -1.612 -7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.267 -1.882 -6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.930 -0.243 -6.779 1.00 0.00 H new ATOM 302 N CYS A 20 -2.873 2.024 -8.216 1.00 0.00 N ATOM 303 CA CYS A 20 -3.091 3.389 -7.759 1.00 0.00 C ATOM 304 C CYS A 20 -4.579 3.725 -7.742 1.00 0.00 C ATOM 305 O CYS A 20 -5.298 3.467 -8.711 1.00 0.00 O ATOM 306 CB CYS A 20 -2.335 4.375 -8.660 1.00 0.00 C ATOM 307 SG CYS A 20 -2.470 6.107 -8.157 1.00 0.00 S ATOM 0 H CYS A 20 -2.865 1.916 -9.230 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.710 3.475 -6.741 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.281 4.096 -8.678 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.709 4.276 -9.679 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.795 6.852 -8.981 1.00 0.00 H new ATOM 313 N ALA A 21 -5.031 4.287 -6.633 1.00 0.00 N ATOM 314 CA ALA A 21 -6.409 4.723 -6.489 1.00 0.00 C ATOM 315 C ALA A 21 -6.446 6.094 -5.826 1.00 0.00 C ATOM 316 O ALA A 21 -5.400 6.642 -5.468 1.00 0.00 O ATOM 317 CB ALA A 21 -7.200 3.711 -5.674 1.00 0.00 C ATOM 0 H ALA A 21 -4.454 4.453 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.867 4.797 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.231 4.050 -5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.183 2.745 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.753 3.611 -4.685 1.00 0.00 H new ATOM 323 N LEU A 22 -7.634 6.651 -5.652 1.00 0.00 N ATOM 324 CA LEU A 22 -7.770 7.962 -5.030 1.00 0.00 C ATOM 325 C LEU A 22 -8.701 7.902 -3.826 1.00 0.00 C ATOM 326 O LEU A 22 -9.740 7.239 -3.861 1.00 0.00 O ATOM 327 CB LEU A 22 -8.291 8.990 -6.038 1.00 0.00 C ATOM 328 CG LEU A 22 -7.347 9.310 -7.200 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.994 10.312 -8.146 1.00 0.00 C ATOM 330 CD2 LEU A 22 -6.021 9.851 -6.682 1.00 0.00 C ATOM 0 H LEU A 22 -8.515 6.220 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.781 8.270 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.233 8.626 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.511 9.916 -5.506 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.151 8.388 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.311 10.530 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.918 9.893 -8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.216 11.232 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.365 10.072 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.198 10.762 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.550 9.106 -6.040 1.00 0.00 H new ATOM 342 N LEU A 23 -8.325 8.591 -2.759 1.00 0.00 N ATOM 343 CA LEU A 23 -9.143 8.639 -1.557 1.00 0.00 C ATOM 344 C LEU A 23 -9.095 10.046 -0.972 1.00 0.00 C ATOM 345 O LEU A 23 -8.113 10.434 -0.338 1.00 0.00 O ATOM 346 CB LEU A 23 -8.646 7.594 -0.545 1.00 0.00 C ATOM 347 CG LEU A 23 -9.657 7.137 0.520 1.00 0.00 C ATOM 348 CD1 LEU A 23 -9.160 5.877 1.207 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.895 8.224 1.555 1.00 0.00 C ATOM 0 H LEU A 23 -7.458 9.125 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.179 8.402 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.312 6.716 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.773 8.001 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.601 6.929 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.884 5.563 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.037 5.085 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.202 6.078 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.614 7.871 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.955 8.467 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.287 9.115 1.064 1.00 0.00 H new ATOM 361 N GLY A 24 -10.147 10.813 -1.218 1.00 0.00 N ATOM 362 CA GLY A 24 -10.183 12.189 -0.767 1.00 0.00 C ATOM 363 C GLY A 24 -9.471 13.096 -1.745 1.00 0.00 C ATOM 364 O GLY A 24 -10.006 13.416 -2.809 1.00 0.00 O ATOM 0 H GLY A 24 -10.978 10.506 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.218 12.512 -0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.715 12.267 0.214 1.00 0.00 H new ATOM 368 N ASP A 25 -8.261 13.499 -1.396 1.00 0.00 N ATOM 369 CA ASP A 25 -7.421 14.279 -2.300 1.00 0.00 C ATOM 370 C ASP A 25 -6.041 13.653 -2.400 1.00 0.00 C ATOM 371 O ASP A 25 -5.161 14.161 -3.098 1.00 0.00 O ATOM 372 CB ASP A 25 -7.296 15.731 -1.827 1.00 0.00 C ATOM 373 CG ASP A 25 -8.586 16.509 -1.979 1.00 0.00 C ATOM 374 OD1 ASP A 25 -8.901 16.925 -3.114 1.00 0.00 O ATOM 375 OD2 ASP A 25 -9.283 16.724 -0.966 1.00 0.00 O ATOM 0 H ASP A 25 -7.834 13.300 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.894 14.278 -3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.991 15.743 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.509 16.227 -2.394 1.00 0.00 H new ATOM 380 N GLU A 26 -5.864 12.543 -1.704 1.00 0.00 N ATOM 381 CA GLU A 26 -4.588 11.850 -1.681 1.00 0.00 C ATOM 382 C GLU A 26 -4.625 10.619 -2.574 1.00 0.00 C ATOM 383 O GLU A 26 -5.655 9.947 -2.689 1.00 0.00 O ATOM 384 CB GLU A 26 -4.229 11.444 -0.251 1.00 0.00 C ATOM 385 CG GLU A 26 -4.030 12.625 0.686 1.00 0.00 C ATOM 386 CD GLU A 26 -3.849 12.201 2.128 1.00 0.00 C ATOM 387 OE1 GLU A 26 -2.696 11.967 2.543 1.00 0.00 O ATOM 388 OE2 GLU A 26 -4.862 12.099 2.855 1.00 0.00 O ATOM 0 H GLU A 26 -6.593 12.101 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.826 12.531 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.019 10.806 0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.316 10.848 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.157 13.194 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.890 13.291 0.612 1.00 0.00 H new ATOM 395 N GLN A 27 -3.501 10.333 -3.211 1.00 0.00 N ATOM 396 CA GLN A 27 -3.367 9.143 -4.032 1.00 0.00 C ATOM 397 C GLN A 27 -2.949 7.960 -3.165 1.00 0.00 C ATOM 398 O GLN A 27 -1.945 8.013 -2.447 1.00 0.00 O ATOM 399 CB GLN A 27 -2.377 9.357 -5.196 1.00 0.00 C ATOM 400 CG GLN A 27 -1.004 9.875 -4.788 1.00 0.00 C ATOM 401 CD GLN A 27 -0.997 11.358 -4.462 1.00 0.00 C ATOM 402 OE1 GLN A 27 -1.208 11.755 -3.318 1.00 0.00 O ATOM 403 NE2 GLN A 27 -0.739 12.185 -5.463 1.00 0.00 N ATOM 0 H GLN A 27 -2.663 10.914 -3.174 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.337 8.928 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.250 8.411 -5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.818 10.059 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.656 9.317 -3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.296 9.683 -5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.569 11.816 -6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.710 13.191 -5.299 1.00 0.00 H new ATOM 412 N VAL A 28 -3.735 6.902 -3.226 1.00 0.00 N ATOM 413 CA VAL A 28 -3.532 5.737 -2.386 1.00 0.00 C ATOM 414 C VAL A 28 -3.027 4.565 -3.216 1.00 0.00 C ATOM 415 O VAL A 28 -3.552 4.285 -4.293 1.00 0.00 O ATOM 416 CB VAL A 28 -4.844 5.334 -1.673 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.625 4.159 -0.732 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.421 6.519 -0.919 1.00 0.00 C ATOM 0 H VAL A 28 -4.532 6.826 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.787 5.995 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.557 5.021 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.566 3.901 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.262 3.302 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.890 4.431 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.344 6.220 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.703 6.861 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.631 7.328 -1.619 1.00 0.00 H new ATOM 428 N ALA A 29 -2.001 3.901 -2.720 1.00 0.00 N ATOM 429 CA ALA A 29 -1.465 2.727 -3.377 1.00 0.00 C ATOM 430 C ALA A 29 -1.986 1.471 -2.696 1.00 0.00 C ATOM 431 O ALA A 29 -1.689 1.219 -1.526 1.00 0.00 O ATOM 432 CB ALA A 29 0.053 2.757 -3.365 1.00 0.00 C ATOM 0 H ALA A 29 -1.520 4.158 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.793 2.722 -4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.438 1.867 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.403 3.646 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.408 2.779 -2.335 1.00 0.00 H new ATOM 438 N ILE A 30 -2.778 0.703 -3.423 1.00 0.00 N ATOM 439 CA ILE A 30 -3.366 -0.514 -2.889 1.00 0.00 C ATOM 440 C ILE A 30 -2.500 -1.710 -3.243 1.00 0.00 C ATOM 441 O ILE A 30 -2.398 -2.085 -4.410 1.00 0.00 O ATOM 442 CB ILE A 30 -4.789 -0.746 -3.440 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.645 0.506 -3.258 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.432 -1.941 -2.748 1.00 0.00 C ATOM 445 CD1 ILE A 30 -7.007 0.405 -3.906 1.00 0.00 C ATOM 0 H ILE A 30 -3.030 0.902 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.426 -0.400 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.720 -0.959 -4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.772 0.698 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.115 1.362 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.435 -2.095 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.830 -2.832 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.491 -1.752 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.560 1.329 -3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.889 0.244 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.556 -0.431 -3.472 1.00 0.00 H new ATOM 457 N PHE A 31 -1.874 -2.301 -2.243 1.00 0.00 N ATOM 458 CA PHE A 31 -0.997 -3.433 -2.468 1.00 0.00 C ATOM 459 C PHE A 31 -1.627 -4.716 -1.957 1.00 0.00 C ATOM 460 O PHE A 31 -2.035 -4.802 -0.797 1.00 0.00 O ATOM 461 CB PHE A 31 0.352 -3.229 -1.771 1.00 0.00 C ATOM 462 CG PHE A 31 1.143 -2.063 -2.286 1.00 0.00 C ATOM 463 CD1 PHE A 31 1.883 -2.173 -3.450 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.157 -0.862 -1.597 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.620 -1.105 -3.920 1.00 0.00 C ATOM 466 CE2 PHE A 31 1.893 0.208 -2.061 1.00 0.00 C ATOM 467 CZ PHE A 31 2.625 0.087 -3.224 1.00 0.00 C ATOM 0 H PHE A 31 -1.957 -2.016 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.838 -3.511 -3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.179 -3.093 -0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.947 -4.135 -1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.884 -3.105 -3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.585 -0.762 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.192 -1.202 -4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.896 1.140 -1.515 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.201 0.924 -3.590 1.00 0.00 H new ATOM 477 N ARG A 32 -1.720 -5.704 -2.828 1.00 0.00 N ATOM 478 CA ARG A 32 -2.081 -7.044 -2.409 1.00 0.00 C ATOM 479 C ARG A 32 -0.811 -7.875 -2.336 1.00 0.00 C ATOM 480 O ARG A 32 -0.293 -8.314 -3.360 1.00 0.00 O ATOM 481 CB ARG A 32 -3.074 -7.679 -3.386 1.00 0.00 C ATOM 482 CG ARG A 32 -3.546 -9.063 -2.961 1.00 0.00 C ATOM 483 CD ARG A 32 -4.487 -9.665 -3.986 1.00 0.00 C ATOM 484 NE ARG A 32 -5.002 -10.965 -3.563 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.655 -11.807 -4.368 1.00 0.00 C ATOM 486 NH1 ARG A 32 -5.888 -11.487 -5.631 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.087 -12.968 -3.903 1.00 0.00 N ATOM 0 H ARG A 32 -1.551 -5.603 -3.829 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.565 -7.003 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.940 -7.024 -3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.609 -7.749 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.685 -9.718 -2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.050 -8.997 -1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.320 -8.984 -4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.965 -9.774 -4.937 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.854 -11.247 -2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.568 -10.590 -5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.388 -12.137 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.921 -13.221 -2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.586 -13.610 -4.519 1.00 0.00 H new ATOM 501 N PRO A 33 -0.272 -8.063 -1.126 1.00 0.00 N ATOM 502 CA PRO A 33 0.986 -8.769 -0.929 1.00 0.00 C ATOM 503 C PRO A 33 0.809 -10.280 -0.805 1.00 0.00 C ATOM 504 O PRO A 33 1.614 -11.053 -1.330 1.00 0.00 O ATOM 505 CB PRO A 33 1.501 -8.160 0.373 1.00 0.00 C ATOM 506 CG PRO A 33 0.277 -7.785 1.146 1.00 0.00 C ATOM 507 CD PRO A 33 -0.830 -7.565 0.144 1.00 0.00 C ATOM 0 HA PRO A 33 1.666 -8.657 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.112 -8.873 0.926 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.126 -7.288 0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.009 -8.573 1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.452 -6.882 1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.733 -8.108 0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.101 -6.511 0.074 1.00 0.00 H new ATOM 515 N TYR A 34 -0.251 -10.699 -0.126 1.00 0.00 N ATOM 516 CA TYR A 34 -0.506 -12.113 0.084 1.00 0.00 C ATOM 517 C TYR A 34 -1.359 -12.673 -1.047 1.00 0.00 C ATOM 518 O TYR A 34 -1.981 -11.921 -1.799 1.00 0.00 O ATOM 519 CB TYR A 34 -1.196 -12.344 1.431 1.00 0.00 C ATOM 520 CG TYR A 34 -0.328 -12.032 2.635 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.520 -12.995 3.170 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.364 -10.782 3.242 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.306 -12.722 4.274 1.00 0.00 C ATOM 524 CE2 TYR A 34 0.421 -10.501 4.345 1.00 0.00 C ATOM 525 CZ TYR A 34 1.254 -11.475 4.858 1.00 0.00 C ATOM 526 OH TYR A 34 2.034 -11.197 5.959 1.00 0.00 O ATOM 0 H TYR A 34 -0.946 -10.078 0.288 1.00 0.00 H new ATOM 0 HA TYR A 34 0.451 -12.635 0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.095 -11.729 1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.517 -13.384 1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.566 -13.974 2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.016 -10.018 2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.958 -13.483 4.677 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.383 -9.524 4.803 1.00 0.00 H new ATOM 0 HH TYR A 34 1.878 -10.273 6.246 1.00 0.00 H new ATOM 536 N HIS A 35 -1.397 -13.994 -1.154 1.00 0.00 N ATOM 537 CA HIS A 35 -2.143 -14.661 -2.213 1.00 0.00 C ATOM 538 C HIS A 35 -3.628 -14.710 -1.864 1.00 0.00 C ATOM 539 O HIS A 35 -4.466 -15.066 -2.692 1.00 0.00 O ATOM 540 CB HIS A 35 -1.600 -16.080 -2.406 1.00 0.00 C ATOM 541 CG HIS A 35 -1.782 -16.632 -3.790 1.00 0.00 C ATOM 542 ND1 HIS A 35 -0.722 -16.937 -4.613 1.00 0.00 N ATOM 543 CD2 HIS A 35 -2.898 -16.942 -4.493 1.00 0.00 C ATOM 544 CE1 HIS A 35 -1.175 -17.406 -5.760 1.00 0.00 C ATOM 545 NE2 HIS A 35 -2.494 -17.420 -5.714 1.00 0.00 N ATOM 0 H HIS A 35 -0.917 -14.629 -0.516 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.024 -14.101 -3.141 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.537 -16.085 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.093 -16.744 -1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.918 -16.833 -4.155 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.569 -17.725 -6.595 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.111 -17.734 -6.463 1.00 0.00 H new ATOM 554 N SER A 36 -3.942 -14.343 -0.634 1.00 0.00 N ATOM 555 CA SER A 36 -5.309 -14.384 -0.150 1.00 0.00 C ATOM 556 C SER A 36 -5.924 -12.981 -0.186 1.00 0.00 C ATOM 557 O SER A 36 -5.487 -12.125 -0.960 1.00 0.00 O ATOM 558 CB SER A 36 -5.330 -14.959 1.269 1.00 0.00 C ATOM 559 OG SER A 36 -6.638 -15.345 1.651 1.00 0.00 O ATOM 0 H SER A 36 -3.263 -14.011 0.051 1.00 0.00 H new ATOM 0 HA SER A 36 -5.906 -15.028 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.664 -15.820 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.949 -14.216 1.970 1.00 0.00 H new ATOM 0 HG SER A 36 -6.619 -15.709 2.561 1.00 0.00 H new ATOM 565 N ASP A 37 -6.931 -12.756 0.651 1.00 0.00 N ATOM 566 CA ASP A 37 -7.667 -11.492 0.681 1.00 0.00 C ATOM 567 C ASP A 37 -6.938 -10.430 1.501 1.00 0.00 C ATOM 568 O ASP A 37 -7.422 -9.306 1.645 1.00 0.00 O ATOM 569 CB ASP A 37 -9.063 -11.717 1.268 1.00 0.00 C ATOM 570 CG ASP A 37 -9.018 -12.112 2.734 1.00 0.00 C ATOM 571 OD1 ASP A 37 -8.581 -13.244 3.033 1.00 0.00 O ATOM 572 OD2 ASP A 37 -9.408 -11.293 3.592 1.00 0.00 O ATOM 0 H ASP A 37 -7.262 -13.443 1.329 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.745 -11.132 -0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.652 -10.806 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.572 -12.496 0.700 1.00 0.00 H new ATOM 577 N GLN A 38 -5.778 -10.788 2.035 1.00 0.00 N ATOM 578 CA GLN A 38 -4.996 -9.866 2.850 1.00 0.00 C ATOM 579 C GLN A 38 -4.397 -8.759 1.989 1.00 0.00 C ATOM 580 O GLN A 38 -3.448 -8.988 1.234 1.00 0.00 O ATOM 581 CB GLN A 38 -3.884 -10.613 3.590 1.00 0.00 C ATOM 582 CG GLN A 38 -4.390 -11.659 4.570 1.00 0.00 C ATOM 583 CD GLN A 38 -3.275 -12.259 5.406 1.00 0.00 C ATOM 584 OE1 GLN A 38 -2.938 -11.745 6.471 1.00 0.00 O ATOM 585 NE2 GLN A 38 -2.698 -13.352 4.939 1.00 0.00 N ATOM 0 H GLN A 38 -5.357 -11.710 1.919 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.664 -9.414 3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.237 -11.097 2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.271 -9.891 4.129 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.131 -11.206 5.229 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.895 -12.453 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.004 -13.751 4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.947 -13.797 5.466 1.00 0.00 H new ATOM 594 N VAL A 39 -4.964 -7.564 2.102 1.00 0.00 N ATOM 595 CA VAL A 39 -4.522 -6.415 1.318 1.00 0.00 C ATOM 596 C VAL A 39 -4.209 -5.226 2.224 1.00 0.00 C ATOM 597 O VAL A 39 -4.737 -5.126 3.331 1.00 0.00 O ATOM 598 CB VAL A 39 -5.586 -6.000 0.275 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.744 -7.077 -0.783 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.924 -5.717 0.943 1.00 0.00 C ATOM 0 H VAL A 39 -5.738 -7.364 2.735 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.616 -6.714 0.792 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.244 -5.084 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.497 -6.767 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.792 -7.230 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.057 -8.008 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.654 -5.427 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.271 -6.613 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.807 -4.907 1.663 1.00 0.00 H new ATOM 610 N PHE A 40 -3.339 -4.338 1.760 1.00 0.00 N ATOM 611 CA PHE A 40 -2.964 -3.154 2.526 1.00 0.00 C ATOM 612 C PHE A 40 -2.834 -1.949 1.603 1.00 0.00 C ATOM 613 O PHE A 40 -2.483 -2.093 0.434 1.00 0.00 O ATOM 614 CB PHE A 40 -1.637 -3.379 3.262 1.00 0.00 C ATOM 615 CG PHE A 40 -1.686 -4.455 4.314 1.00 0.00 C ATOM 616 CD1 PHE A 40 -2.208 -4.189 5.571 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.216 -5.733 4.045 1.00 0.00 C ATOM 618 CE1 PHE A 40 -2.259 -5.174 6.539 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.265 -6.722 5.011 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.789 -6.441 6.258 1.00 0.00 C ATOM 0 H PHE A 40 -2.878 -4.415 0.854 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.747 -2.965 3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.869 -3.636 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.332 -2.443 3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.579 -3.200 5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.808 -5.958 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.666 -4.953 7.514 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.894 -7.712 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.831 -7.212 7.013 1.00 0.00 H new ATOM 630 N ALA A 41 -3.115 -0.765 2.125 1.00 0.00 N ATOM 631 CA ALA A 41 -3.005 0.449 1.338 1.00 0.00 C ATOM 632 C ALA A 41 -2.268 1.539 2.105 1.00 0.00 C ATOM 633 O ALA A 41 -2.443 1.691 3.316 1.00 0.00 O ATOM 634 CB ALA A 41 -4.384 0.931 0.923 1.00 0.00 C ATOM 0 H ALA A 41 -3.420 -0.621 3.088 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.426 0.222 0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.289 1.843 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.874 0.162 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.981 1.135 1.812 1.00 0.00 H new ATOM 640 N ILE A 42 -1.432 2.282 1.395 1.00 0.00 N ATOM 641 CA ILE A 42 -0.695 3.400 1.970 1.00 0.00 C ATOM 642 C ILE A 42 -0.660 4.555 0.978 1.00 0.00 C ATOM 643 O ILE A 42 -1.111 4.407 -0.158 1.00 0.00 O ATOM 644 CB ILE A 42 0.754 3.013 2.345 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.481 2.411 1.135 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.766 2.048 3.523 1.00 0.00 C ATOM 647 CD1 ILE A 42 2.935 2.080 1.404 1.00 0.00 C ATOM 0 H ILE A 42 -1.245 2.128 0.404 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.212 3.695 2.883 1.00 0.00 H new ATOM 0 HB ILE A 42 1.285 3.917 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.962 1.504 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.425 3.112 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.795 1.789 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.294 2.520 4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.218 1.144 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.385 1.659 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.469 2.988 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.999 1.355 2.215 1.00 0.00 H new ATOM 659 N SER A 43 -0.141 5.700 1.401 1.00 0.00 N ATOM 660 CA SER A 43 -0.006 6.836 0.505 1.00 0.00 C ATOM 661 C SER A 43 0.971 6.500 -0.615 1.00 0.00 C ATOM 662 O SER A 43 2.046 5.958 -0.365 1.00 0.00 O ATOM 663 CB SER A 43 0.460 8.063 1.283 1.00 0.00 C ATOM 664 OG SER A 43 1.571 7.750 2.107 1.00 0.00 O ATOM 0 H SER A 43 0.190 5.864 2.352 1.00 0.00 H new ATOM 0 HA SER A 43 -0.975 7.061 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.731 8.858 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.358 8.441 1.897 1.00 0.00 H new ATOM 0 HG SER A 43 2.048 8.574 2.340 1.00 0.00 H new ATOM 670 N ASN A 44 0.590 6.830 -1.841 1.00 0.00 N ATOM 671 CA ASN A 44 1.338 6.424 -3.029 1.00 0.00 C ATOM 672 C ASN A 44 2.548 7.336 -3.275 1.00 0.00 C ATOM 673 O ASN A 44 3.240 7.202 -4.278 1.00 0.00 O ATOM 674 CB ASN A 44 0.389 6.450 -4.240 1.00 0.00 C ATOM 675 CG ASN A 44 0.950 5.767 -5.476 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.737 4.827 -5.385 1.00 0.00 O ATOM 677 ND2 ASN A 44 0.526 6.225 -6.644 1.00 0.00 N ATOM 0 H ASN A 44 -0.242 7.384 -2.043 1.00 0.00 H new ATOM 0 HA ASN A 44 1.724 5.416 -2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.549 5.968 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.155 7.486 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.853 5.795 -7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.128 7.007 -6.678 1.00 0.00 H new ATOM 684 N ILE A 45 2.811 8.244 -2.345 1.00 0.00 N ATOM 685 CA ILE A 45 3.872 9.233 -2.522 1.00 0.00 C ATOM 686 C ILE A 45 5.075 8.950 -1.624 1.00 0.00 C ATOM 687 O ILE A 45 4.925 8.737 -0.419 1.00 0.00 O ATOM 688 CB ILE A 45 3.356 10.661 -2.216 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.205 11.032 -3.155 1.00 0.00 C ATOM 690 CG2 ILE A 45 4.481 11.684 -2.325 1.00 0.00 C ATOM 691 CD1 ILE A 45 2.602 11.080 -4.614 1.00 0.00 C ATOM 0 H ILE A 45 2.307 8.318 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 45 4.184 9.164 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 45 2.985 10.671 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.399 10.309 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.809 12.005 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.091 12.678 -2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.268 11.437 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.889 11.670 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.736 11.349 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.387 11.824 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.970 10.102 -4.923 1.00 0.00 H new ATOM 703 N ASP A 46 6.259 8.942 -2.223 1.00 0.00 N ATOM 704 CA ASP A 46 7.510 8.920 -1.470 1.00 0.00 C ATOM 705 C ASP A 46 7.974 10.355 -1.248 1.00 0.00 C ATOM 706 O ASP A 46 8.291 11.064 -2.204 1.00 0.00 O ATOM 707 CB ASP A 46 8.587 8.132 -2.225 1.00 0.00 C ATOM 708 CG ASP A 46 9.960 8.204 -1.571 1.00 0.00 C ATOM 709 OD1 ASP A 46 10.638 9.246 -1.710 1.00 0.00 O ATOM 710 OD2 ASP A 46 10.376 7.213 -0.939 1.00 0.00 O ATOM 0 H ASP A 46 6.381 8.950 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 46 7.343 8.428 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.281 7.088 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.658 8.513 -3.244 1.00 0.00 H new ATOM 715 N PRO A 47 8.001 10.812 0.008 1.00 0.00 N ATOM 716 CA PRO A 47 8.311 12.202 0.330 1.00 0.00 C ATOM 717 C PRO A 47 9.805 12.495 0.425 1.00 0.00 C ATOM 718 O PRO A 47 10.201 13.636 0.662 1.00 0.00 O ATOM 719 CB PRO A 47 7.644 12.382 1.693 1.00 0.00 C ATOM 720 CG PRO A 47 7.715 11.035 2.332 1.00 0.00 C ATOM 721 CD PRO A 47 7.707 10.019 1.215 1.00 0.00 C ATOM 0 HA PRO A 47 7.961 12.882 -0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.162 13.132 2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.612 12.716 1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.619 10.940 2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.869 10.880 3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.456 9.244 1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.742 9.518 1.138 1.00 0.00 H new ATOM 729 N PHE A 48 10.639 11.480 0.243 1.00 0.00 N ATOM 730 CA PHE A 48 12.079 11.668 0.356 1.00 0.00 C ATOM 731 C PHE A 48 12.678 12.007 -1.005 1.00 0.00 C ATOM 732 O PHE A 48 13.277 13.070 -1.188 1.00 0.00 O ATOM 733 CB PHE A 48 12.750 10.419 0.940 1.00 0.00 C ATOM 734 CG PHE A 48 14.146 10.667 1.445 1.00 0.00 C ATOM 735 CD1 PHE A 48 15.238 10.554 0.601 1.00 0.00 C ATOM 736 CD2 PHE A 48 14.362 11.017 2.768 1.00 0.00 C ATOM 737 CE1 PHE A 48 16.518 10.788 1.065 1.00 0.00 C ATOM 738 CE2 PHE A 48 15.641 11.250 3.239 1.00 0.00 C ATOM 739 CZ PHE A 48 16.720 11.136 2.385 1.00 0.00 C ATOM 0 H PHE A 48 10.348 10.528 0.019 1.00 0.00 H new ATOM 0 HA PHE A 48 12.262 12.500 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.139 10.037 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.781 9.642 0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 48 15.087 10.280 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.521 11.109 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 48 17.360 10.699 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 48 15.796 11.521 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 48 17.720 11.319 2.749 1.00 0.00 H new ATOM 749 N PHE A 49 12.483 11.113 -1.963 1.00 0.00 N ATOM 750 CA PHE A 49 13.026 11.291 -3.304 1.00 0.00 C ATOM 751 C PHE A 49 11.975 11.901 -4.216 1.00 0.00 C ATOM 752 O PHE A 49 12.248 12.213 -5.377 1.00 0.00 O ATOM 753 CB PHE A 49 13.513 9.957 -3.876 1.00 0.00 C ATOM 754 CG PHE A 49 14.716 9.398 -3.165 1.00 0.00 C ATOM 755 CD1 PHE A 49 15.988 9.866 -3.457 1.00 0.00 C ATOM 756 CD2 PHE A 49 14.576 8.406 -2.209 1.00 0.00 C ATOM 757 CE1 PHE A 49 17.096 9.355 -2.810 1.00 0.00 C ATOM 758 CE2 PHE A 49 15.682 7.891 -1.559 1.00 0.00 C ATOM 759 CZ PHE A 49 16.942 8.365 -1.859 1.00 0.00 C ATOM 0 H PHE A 49 11.950 10.252 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 49 13.879 11.967 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.701 9.231 -3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 49 13.754 10.090 -4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 49 16.114 10.640 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 49 13.592 8.031 -1.969 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.081 9.729 -3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 49 15.559 7.117 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.806 7.963 -1.351 1.00 0.00 H new ATOM 769 N GLU A 50 10.770 12.048 -3.673 1.00 0.00 N ATOM 770 CA GLU A 50 9.663 12.693 -4.368 1.00 0.00 C ATOM 771 C GLU A 50 9.219 11.885 -5.581 1.00 0.00 C ATOM 772 O GLU A 50 9.169 12.392 -6.703 1.00 0.00 O ATOM 773 CB GLU A 50 10.032 14.122 -4.778 1.00 0.00 C ATOM 774 CG GLU A 50 10.321 15.033 -3.597 1.00 0.00 C ATOM 775 CD GLU A 50 10.738 16.420 -4.028 1.00 0.00 C ATOM 776 OE1 GLU A 50 9.850 17.241 -4.338 1.00 0.00 O ATOM 777 OE2 GLU A 50 11.955 16.694 -4.066 1.00 0.00 O ATOM 0 H GLU A 50 10.534 11.722 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 50 8.824 12.740 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.908 14.091 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.216 14.546 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.433 15.102 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.109 14.593 -2.986 1.00 0.00 H new ATOM 784 N SER A 51 8.897 10.625 -5.351 1.00 0.00 N ATOM 785 CA SER A 51 8.338 9.791 -6.396 1.00 0.00 C ATOM 786 C SER A 51 6.834 9.659 -6.188 1.00 0.00 C ATOM 787 O SER A 51 6.368 9.362 -5.087 1.00 0.00 O ATOM 788 CB SER A 51 9.026 8.423 -6.433 1.00 0.00 C ATOM 789 OG SER A 51 9.116 7.848 -5.144 1.00 0.00 O ATOM 0 H SER A 51 9.013 10.159 -4.451 1.00 0.00 H new ATOM 0 HA SER A 51 8.514 10.260 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.472 7.755 -7.092 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.025 8.530 -6.855 1.00 0.00 H new ATOM 0 HG SER A 51 9.558 6.976 -5.205 1.00 0.00 H new ATOM 795 N SER A 52 6.080 9.909 -7.247 1.00 0.00 N ATOM 796 CA SER A 52 4.634 9.998 -7.157 1.00 0.00 C ATOM 797 C SER A 52 3.959 8.631 -7.107 1.00 0.00 C ATOM 798 O SER A 52 2.762 8.542 -6.832 1.00 0.00 O ATOM 799 CB SER A 52 4.101 10.824 -8.326 1.00 0.00 C ATOM 800 OG SER A 52 5.020 10.817 -9.409 1.00 0.00 O ATOM 0 H SER A 52 6.451 10.055 -8.186 1.00 0.00 H new ATOM 0 HA SER A 52 4.392 10.492 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.142 10.422 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.922 11.849 -8.001 1.00 0.00 H new ATOM 0 HG SER A 52 4.659 11.350 -10.148 1.00 0.00 H new ATOM 806 N VAL A 53 4.701 7.570 -7.398 1.00 0.00 N ATOM 807 CA VAL A 53 4.144 6.232 -7.279 1.00 0.00 C ATOM 808 C VAL A 53 5.034 5.309 -6.450 1.00 0.00 C ATOM 809 O VAL A 53 6.213 5.121 -6.750 1.00 0.00 O ATOM 810 CB VAL A 53 3.889 5.592 -8.666 1.00 0.00 C ATOM 811 CG1 VAL A 53 2.718 6.265 -9.363 1.00 0.00 C ATOM 812 CG2 VAL A 53 5.133 5.670 -9.540 1.00 0.00 C ATOM 0 H VAL A 53 5.671 7.608 -7.712 1.00 0.00 H new ATOM 0 HA VAL A 53 3.191 6.348 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 53 3.644 4.542 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.557 5.799 -10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.820 6.155 -8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.936 7.324 -9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.927 5.214 -10.508 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.412 6.714 -9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.952 5.138 -9.055 1.00 0.00 H new ATOM 822 N LEU A 54 4.452 4.738 -5.406 1.00 0.00 N ATOM 823 CA LEU A 54 5.054 3.620 -4.695 1.00 0.00 C ATOM 824 C LEU A 54 4.533 2.324 -5.292 1.00 0.00 C ATOM 825 O LEU A 54 5.112 1.254 -5.116 1.00 0.00 O ATOM 826 CB LEU A 54 4.740 3.684 -3.197 1.00 0.00 C ATOM 827 CG LEU A 54 5.346 4.881 -2.460 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.017 4.817 -0.979 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.850 4.929 -2.673 1.00 0.00 C ATOM 0 H LEU A 54 3.552 5.035 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 54 6.137 3.669 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.658 3.707 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.097 2.768 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 54 4.912 5.794 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.456 5.676 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.935 4.831 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.423 3.899 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.265 5.786 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.301 4.013 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.064 5.023 -3.738 1.00 0.00 H new ATOM 841 N SER A 55 3.420 2.452 -6.014 1.00 0.00 N ATOM 842 CA SER A 55 2.753 1.326 -6.656 1.00 0.00 C ATOM 843 C SER A 55 3.626 0.711 -7.750 1.00 0.00 C ATOM 844 O SER A 55 3.352 -0.385 -8.238 1.00 0.00 O ATOM 845 CB SER A 55 1.419 1.802 -7.243 1.00 0.00 C ATOM 846 OG SER A 55 0.702 0.742 -7.846 1.00 0.00 O ATOM 0 H SER A 55 2.955 3.347 -6.169 1.00 0.00 H new ATOM 0 HA SER A 55 2.573 0.553 -5.909 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.813 2.248 -6.454 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.605 2.582 -7.982 1.00 0.00 H new ATOM 0 HG SER A 55 1.308 -0.010 -8.013 1.00 0.00 H new ATOM 852 N ARG A 56 4.682 1.419 -8.125 1.00 0.00 N ATOM 853 CA ARG A 56 5.596 0.946 -9.153 1.00 0.00 C ATOM 854 C ARG A 56 6.831 0.320 -8.502 1.00 0.00 C ATOM 855 O ARG A 56 7.959 0.502 -8.957 1.00 0.00 O ATOM 856 CB ARG A 56 5.996 2.104 -10.075 1.00 0.00 C ATOM 857 CG ARG A 56 6.633 1.669 -11.394 1.00 0.00 C ATOM 858 CD ARG A 56 5.689 0.811 -12.231 1.00 0.00 C ATOM 859 NE ARG A 56 5.663 -0.590 -11.806 1.00 0.00 N ATOM 860 CZ ARG A 56 4.735 -1.474 -12.184 1.00 0.00 C ATOM 861 NH1 ARG A 56 3.713 -1.103 -12.952 1.00 0.00 N ATOM 862 NH2 ARG A 56 4.834 -2.735 -11.791 1.00 0.00 N ATOM 0 H ARG A 56 4.927 2.327 -7.730 1.00 0.00 H new ATOM 0 HA ARG A 56 5.098 0.186 -9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.111 2.702 -10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.695 2.751 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.923 2.551 -11.965 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.545 1.109 -11.188 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.682 1.223 -12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.991 0.862 -13.277 1.00 0.00 H new ATOM 0 HE ARG A 56 6.402 -0.912 -11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.631 -0.134 -13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.012 -1.788 -13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.615 -3.026 -11.203 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.129 -3.415 -12.076 1.00 0.00 H new ATOM 876 N GLY A 57 6.599 -0.438 -7.441 1.00 0.00 N ATOM 877 CA GLY A 57 7.689 -1.032 -6.700 1.00 0.00 C ATOM 878 C GLY A 57 7.422 -2.485 -6.384 1.00 0.00 C ATOM 879 O GLY A 57 6.289 -2.955 -6.499 1.00 0.00 O ATOM 0 H GLY A 57 5.670 -0.652 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.610 -0.948 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.842 -0.480 -5.773 1.00 0.00 H new ATOM 883 N LEU A 58 8.465 -3.199 -5.996 1.00 0.00 N ATOM 884 CA LEU A 58 8.373 -4.635 -5.788 1.00 0.00 C ATOM 885 C LEU A 58 8.139 -4.953 -4.319 1.00 0.00 C ATOM 886 O LEU A 58 8.576 -4.216 -3.437 1.00 0.00 O ATOM 887 CB LEU A 58 9.649 -5.321 -6.300 1.00 0.00 C ATOM 888 CG LEU A 58 10.965 -4.837 -5.677 1.00 0.00 C ATOM 889 CD1 LEU A 58 11.323 -5.657 -4.445 1.00 0.00 C ATOM 890 CD2 LEU A 58 12.088 -4.887 -6.699 1.00 0.00 C ATOM 0 H LEU A 58 9.389 -2.806 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 58 7.522 -5.017 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.558 -6.393 -6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.707 -5.180 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 58 10.829 -3.802 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.260 -5.292 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.531 -5.563 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.435 -6.704 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.014 -4.540 -6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.217 -5.912 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.840 -4.245 -7.544 1.00 0.00 H new ATOM 902 N ILE A 59 7.441 -6.046 -4.061 1.00 0.00 N ATOM 903 CA ILE A 59 7.193 -6.479 -2.700 1.00 0.00 C ATOM 904 C ILE A 59 8.240 -7.504 -2.279 1.00 0.00 C ATOM 905 O ILE A 59 8.350 -8.578 -2.872 1.00 0.00 O ATOM 906 CB ILE A 59 5.773 -7.071 -2.539 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.721 -6.026 -2.931 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.546 -7.546 -1.107 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.293 -6.525 -2.843 1.00 0.00 C ATOM 0 H ILE A 59 7.037 -6.649 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 59 7.263 -5.604 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 59 5.678 -7.932 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.831 -5.155 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.917 -5.694 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.541 -7.959 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.278 -8.314 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.656 -6.705 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.610 -5.727 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.164 -7.377 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.077 -6.830 -1.819 1.00 0.00 H new ATOM 921 N ALA A 60 9.015 -7.157 -1.268 1.00 0.00 N ATOM 922 CA ALA A 60 10.080 -8.013 -0.783 1.00 0.00 C ATOM 923 C ALA A 60 9.833 -8.401 0.669 1.00 0.00 C ATOM 924 O ALA A 60 9.558 -7.547 1.514 1.00 0.00 O ATOM 925 CB ALA A 60 11.426 -7.322 -0.927 1.00 0.00 C ATOM 0 H ALA A 60 8.924 -6.276 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 60 10.093 -8.921 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.214 -7.979 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.607 -7.093 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.424 -6.398 -0.349 1.00 0.00 H new ATOM 931 N GLU A 61 9.931 -9.690 0.945 1.00 0.00 N ATOM 932 CA GLU A 61 9.698 -10.216 2.281 1.00 0.00 C ATOM 933 C GLU A 61 10.904 -9.956 3.188 1.00 0.00 C ATOM 934 O GLU A 61 11.950 -9.486 2.731 1.00 0.00 O ATOM 935 CB GLU A 61 9.415 -11.720 2.184 1.00 0.00 C ATOM 936 CG GLU A 61 8.766 -12.319 3.421 1.00 0.00 C ATOM 937 CD GLU A 61 8.566 -13.812 3.295 1.00 0.00 C ATOM 938 OE1 GLU A 61 7.551 -14.237 2.700 1.00 0.00 O ATOM 939 OE2 GLU A 61 9.434 -14.567 3.777 1.00 0.00 O ATOM 0 H GLU A 61 10.173 -10.400 0.253 1.00 0.00 H new ATOM 0 HA GLU A 61 8.838 -9.710 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.768 -11.901 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.352 -12.242 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.387 -12.110 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.803 -11.838 3.593 1.00 0.00 H new ATOM 946 N HIS A 62 10.739 -10.238 4.475 1.00 0.00 N ATOM 947 CA HIS A 62 11.831 -10.154 5.437 1.00 0.00 C ATOM 948 C HIS A 62 11.666 -11.245 6.497 1.00 0.00 C ATOM 949 O HIS A 62 12.216 -12.334 6.363 1.00 0.00 O ATOM 950 CB HIS A 62 11.884 -8.756 6.079 1.00 0.00 C ATOM 951 CG HIS A 62 12.948 -8.586 7.124 1.00 0.00 C ATOM 952 ND1 HIS A 62 12.672 -8.139 8.398 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.287 -8.786 7.080 1.00 0.00 C ATOM 954 CE1 HIS A 62 13.790 -8.072 9.093 1.00 0.00 C ATOM 955 NE2 HIS A 62 14.784 -8.457 8.318 1.00 0.00 N ATOM 0 H HIS A 62 9.849 -10.530 4.879 1.00 0.00 H new ATOM 0 HA HIS A 62 12.777 -10.312 4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.043 -8.016 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.915 -8.540 6.528 1.00 0.00 H new ATOM 0 HD1 HIS A 62 11.745 -7.897 8.749 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.856 -9.138 6.232 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.877 -7.756 10.122 1.00 0.00 H new ATOM 964 N GLN A 63 10.879 -10.962 7.527 1.00 0.00 N ATOM 965 CA GLN A 63 10.582 -11.946 8.562 1.00 0.00 C ATOM 966 C GLN A 63 9.078 -12.021 8.777 1.00 0.00 C ATOM 967 O GLN A 63 8.545 -11.452 9.728 1.00 0.00 O ATOM 968 CB GLN A 63 11.295 -11.593 9.871 1.00 0.00 C ATOM 969 CG GLN A 63 12.804 -11.778 9.815 1.00 0.00 C ATOM 970 CD GLN A 63 13.219 -13.238 9.819 1.00 0.00 C ATOM 971 OE1 GLN A 63 13.331 -13.874 8.770 1.00 0.00 O ATOM 972 NE2 GLN A 63 13.454 -13.778 11.002 1.00 0.00 N ATOM 0 H GLN A 63 10.433 -10.056 7.669 1.00 0.00 H new ATOM 0 HA GLN A 63 10.946 -12.920 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.074 -10.557 10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.892 -12.212 10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.191 -11.298 8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.259 -11.273 10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.350 -13.218 11.848 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.739 -14.755 11.069 1.00 0.00 H new ATOM 981 N GLY A 64 8.394 -12.677 7.847 1.00 0.00 N ATOM 982 CA GLY A 64 6.942 -12.742 7.884 1.00 0.00 C ATOM 983 C GLY A 64 6.309 -11.473 7.344 1.00 0.00 C ATOM 984 O GLY A 64 5.142 -11.458 6.954 1.00 0.00 O ATOM 0 H GLY A 64 8.821 -13.169 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.601 -13.596 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.611 -12.906 8.910 1.00 0.00 H new ATOM 988 N GLU A 65 7.105 -10.414 7.306 1.00 0.00 N ATOM 989 CA GLU A 65 6.647 -9.110 6.859 1.00 0.00 C ATOM 990 C GLU A 65 6.827 -8.988 5.359 1.00 0.00 C ATOM 991 O GLU A 65 7.818 -9.467 4.806 1.00 0.00 O ATOM 992 CB GLU A 65 7.465 -8.003 7.521 1.00 0.00 C ATOM 993 CG GLU A 65 7.853 -8.278 8.962 1.00 0.00 C ATOM 994 CD GLU A 65 9.064 -7.472 9.374 1.00 0.00 C ATOM 995 OE1 GLU A 65 10.150 -7.706 8.799 1.00 0.00 O ATOM 996 OE2 GLU A 65 8.942 -6.601 10.257 1.00 0.00 O ATOM 0 H GLU A 65 8.086 -10.436 7.584 1.00 0.00 H new ATOM 0 HA GLU A 65 5.596 -9.010 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.372 -7.842 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.894 -7.075 7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.015 -8.039 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.062 -9.340 9.087 1.00 0.00 H new ATOM 1003 N LEU A 66 5.882 -8.340 4.708 1.00 0.00 N ATOM 1004 CA LEU A 66 5.997 -8.064 3.290 1.00 0.00 C ATOM 1005 C LEU A 66 6.153 -6.565 3.069 1.00 0.00 C ATOM 1006 O LEU A 66 5.211 -5.790 3.255 1.00 0.00 O ATOM 1007 CB LEU A 66 4.789 -8.630 2.539 1.00 0.00 C ATOM 1008 CG LEU A 66 4.710 -10.162 2.543 1.00 0.00 C ATOM 1009 CD1 LEU A 66 3.433 -10.647 1.887 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.915 -10.754 1.834 1.00 0.00 C ATOM 0 H LEU A 66 5.025 -7.994 5.139 1.00 0.00 H new ATOM 0 HA LEU A 66 6.885 -8.555 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.878 -8.229 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.821 -8.281 1.507 1.00 0.00 H new ATOM 0 HG LEU A 66 4.707 -10.494 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.406 -11.737 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.573 -10.254 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.400 -10.300 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.845 -11.842 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.940 -10.402 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.826 -10.444 2.345 1.00 0.00 H new ATOM 1022 N TRP A 67 7.366 -6.164 2.712 1.00 0.00 N ATOM 1023 CA TRP A 67 7.696 -4.757 2.527 1.00 0.00 C ATOM 1024 C TRP A 67 7.597 -4.388 1.054 1.00 0.00 C ATOM 1025 O TRP A 67 7.842 -5.219 0.187 1.00 0.00 O ATOM 1026 CB TRP A 67 9.128 -4.470 3.009 1.00 0.00 C ATOM 1027 CG TRP A 67 9.396 -4.799 4.451 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.463 -6.041 5.015 1.00 0.00 C ATOM 1029 CD2 TRP A 67 9.677 -3.868 5.503 1.00 0.00 C ATOM 1030 NE1 TRP A 67 9.755 -5.936 6.354 1.00 0.00 N ATOM 1031 CE2 TRP A 67 9.889 -4.612 6.677 1.00 0.00 C ATOM 1032 CE3 TRP A 67 9.763 -2.474 5.566 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.185 -4.012 7.898 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.057 -1.880 6.778 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.265 -2.646 7.929 1.00 0.00 C ATOM 0 H TRP A 67 8.145 -6.801 2.543 1.00 0.00 H new ATOM 0 HA TRP A 67 6.990 -4.165 3.109 1.00 0.00 H new ATOM 0 HB2 TRP A 67 9.823 -5.036 2.389 1.00 0.00 H new ATOM 0 HB3 TRP A 67 9.344 -3.414 2.848 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.309 -6.970 4.486 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.856 -6.717 7.002 1.00 0.00 H new ATOM 0 HE3 TRP A 67 9.603 -1.873 4.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.346 -4.603 8.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.127 -0.804 6.838 1.00 0.00 H new ATOM 0 HH2 TRP A 67 10.493 -2.150 8.861 1.00 0.00 H new ATOM 1046 N VAL A 68 7.236 -3.152 0.768 1.00 0.00 N ATOM 1047 CA VAL A 68 7.292 -2.657 -0.595 1.00 0.00 C ATOM 1048 C VAL A 68 8.574 -1.850 -0.778 1.00 0.00 C ATOM 1049 O VAL A 68 8.884 -0.964 0.023 1.00 0.00 O ATOM 1050 CB VAL A 68 6.047 -1.814 -0.973 1.00 0.00 C ATOM 1051 CG1 VAL A 68 5.894 -0.603 -0.066 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.112 -1.384 -2.429 1.00 0.00 C ATOM 0 H VAL A 68 6.903 -2.476 1.455 1.00 0.00 H new ATOM 0 HA VAL A 68 7.294 -3.514 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 68 5.169 -2.445 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.011 -0.037 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.784 -0.934 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.777 0.030 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.229 -0.794 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.007 -0.783 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.147 -2.267 -3.068 1.00 0.00 H new ATOM 1062 N ALA A 69 9.341 -2.190 -1.799 1.00 0.00 N ATOM 1063 CA ALA A 69 10.621 -1.550 -2.033 1.00 0.00 C ATOM 1064 C ALA A 69 10.586 -0.713 -3.300 1.00 0.00 C ATOM 1065 O ALA A 69 10.266 -1.214 -4.381 1.00 0.00 O ATOM 1066 CB ALA A 69 11.728 -2.590 -2.118 1.00 0.00 C ATOM 0 H ALA A 69 9.097 -2.908 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 69 10.827 -0.888 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.682 -2.093 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.776 -3.147 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.520 -3.276 -2.939 1.00 0.00 H new ATOM 1072 N SER A 70 10.909 0.561 -3.153 1.00 0.00 N ATOM 1073 CA SER A 70 10.975 1.471 -4.282 1.00 0.00 C ATOM 1074 C SER A 70 12.277 1.252 -5.051 1.00 0.00 C ATOM 1075 O SER A 70 13.364 1.527 -4.538 1.00 0.00 O ATOM 1076 CB SER A 70 10.881 2.919 -3.793 1.00 0.00 C ATOM 1077 OG SER A 70 9.751 3.101 -2.957 1.00 0.00 O ATOM 0 H SER A 70 11.131 0.990 -2.255 1.00 0.00 H new ATOM 0 HA SER A 70 10.137 1.274 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.787 3.182 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.817 3.592 -4.648 1.00 0.00 H new ATOM 0 HG SER A 70 9.713 4.033 -2.656 1.00 0.00 H new ATOM 1083 N PRO A 71 12.180 0.761 -6.300 1.00 0.00 N ATOM 1084 CA PRO A 71 13.353 0.410 -7.112 1.00 0.00 C ATOM 1085 C PRO A 71 14.188 1.623 -7.506 1.00 0.00 C ATOM 1086 O PRO A 71 15.267 1.484 -8.082 1.00 0.00 O ATOM 1087 CB PRO A 71 12.748 -0.246 -8.355 1.00 0.00 C ATOM 1088 CG PRO A 71 11.363 0.292 -8.436 1.00 0.00 C ATOM 1089 CD PRO A 71 10.919 0.507 -7.015 1.00 0.00 C ATOM 0 HA PRO A 71 14.039 -0.234 -6.562 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.320 -0.000 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.745 -1.332 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.339 1.226 -8.998 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.702 -0.406 -8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.233 1.350 -6.931 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.401 -0.367 -6.619 1.00 0.00 H new ATOM 1097 N LEU A 72 13.678 2.810 -7.193 1.00 0.00 N ATOM 1098 CA LEU A 72 14.395 4.045 -7.465 1.00 0.00 C ATOM 1099 C LEU A 72 15.683 4.089 -6.654 1.00 0.00 C ATOM 1100 O LEU A 72 16.711 4.566 -7.133 1.00 0.00 O ATOM 1101 CB LEU A 72 13.530 5.275 -7.147 1.00 0.00 C ATOM 1102 CG LEU A 72 12.293 5.464 -8.033 1.00 0.00 C ATOM 1103 CD1 LEU A 72 11.166 4.531 -7.611 1.00 0.00 C ATOM 1104 CD2 LEU A 72 11.831 6.910 -7.992 1.00 0.00 C ATOM 0 H LEU A 72 12.769 2.940 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 72 14.636 4.068 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.204 5.209 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 72 14.153 6.166 -7.229 1.00 0.00 H new ATOM 0 HG LEU A 72 12.569 5.213 -9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.302 4.688 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.499 3.497 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.889 4.740 -6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.952 7.029 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.579 7.183 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.630 7.558 -8.354 1.00 0.00 H new ATOM 1116 N LYS A 73 15.623 3.583 -5.424 1.00 0.00 N ATOM 1117 CA LYS A 73 16.801 3.480 -4.580 1.00 0.00 C ATOM 1118 C LYS A 73 16.736 2.245 -3.683 1.00 0.00 C ATOM 1119 O LYS A 73 17.019 1.136 -4.136 1.00 0.00 O ATOM 1120 CB LYS A 73 17.013 4.748 -3.737 1.00 0.00 C ATOM 1121 CG LYS A 73 17.665 5.910 -4.485 1.00 0.00 C ATOM 1122 CD LYS A 73 19.170 5.709 -4.669 1.00 0.00 C ATOM 1123 CE LYS A 73 19.492 4.599 -5.665 1.00 0.00 C ATOM 1124 NZ LYS A 73 20.951 4.337 -5.757 1.00 0.00 N ATOM 0 H LYS A 73 14.766 3.238 -4.993 1.00 0.00 H new ATOM 0 HA LYS A 73 17.659 3.375 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.048 5.077 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.631 4.496 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.193 6.021 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.488 6.836 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 73 19.619 6.641 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.622 5.472 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.978 3.685 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.111 4.873 -6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.124 3.576 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 21.440 5.201 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 21.312 4.050 -4.825 1.00 0.00 H new ATOM 1138 N LYS A 74 16.341 2.428 -2.420 1.00 0.00 N ATOM 1139 CA LYS A 74 16.438 1.349 -1.432 1.00 0.00 C ATOM 1140 C LYS A 74 15.355 1.443 -0.356 1.00 0.00 C ATOM 1141 O LYS A 74 15.449 0.780 0.677 1.00 0.00 O ATOM 1142 CB LYS A 74 17.815 1.389 -0.752 1.00 0.00 C ATOM 1143 CG LYS A 74 18.985 1.123 -1.687 1.00 0.00 C ATOM 1144 CD LYS A 74 20.321 1.404 -1.017 1.00 0.00 C ATOM 1145 CE LYS A 74 20.549 0.507 0.191 1.00 0.00 C ATOM 1146 NZ LYS A 74 20.548 -0.937 -0.173 1.00 0.00 N ATOM 0 H LYS A 74 15.956 3.301 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 74 16.299 0.411 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.950 2.367 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.832 0.652 0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.956 0.085 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.887 1.745 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.126 1.256 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.359 2.448 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.501 0.762 0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.772 0.694 0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.872 -1.500 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.584 -1.229 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.187 -1.092 -0.979 1.00 0.00 H new ATOM 1160 N GLN A 75 14.326 2.248 -0.593 1.00 0.00 N ATOM 1161 CA GLN A 75 13.301 2.475 0.427 1.00 0.00 C ATOM 1162 C GLN A 75 12.390 1.263 0.579 1.00 0.00 C ATOM 1163 O GLN A 75 11.838 0.766 -0.402 1.00 0.00 O ATOM 1164 CB GLN A 75 12.446 3.705 0.103 1.00 0.00 C ATOM 1165 CG GLN A 75 13.248 4.944 -0.242 1.00 0.00 C ATOM 1166 CD GLN A 75 13.351 5.155 -1.735 1.00 0.00 C ATOM 1167 OE1 GLN A 75 14.251 4.627 -2.389 1.00 0.00 O ATOM 1168 NE2 GLN A 75 12.434 5.938 -2.283 1.00 0.00 N ATOM 0 H GLN A 75 14.177 2.750 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 75 13.829 2.647 1.365 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.788 3.467 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.807 3.925 0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.782 5.816 0.216 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.249 4.858 0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.706 6.355 -1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.456 6.124 -3.286 1.00 0.00 H new ATOM 1177 N ARG A 76 12.248 0.790 1.811 1.00 0.00 N ATOM 1178 CA ARG A 76 11.297 -0.272 2.124 1.00 0.00 C ATOM 1179 C ARG A 76 10.194 0.258 3.032 1.00 0.00 C ATOM 1180 O ARG A 76 10.472 0.876 4.065 1.00 0.00 O ATOM 1181 CB ARG A 76 11.977 -1.459 2.817 1.00 0.00 C ATOM 1182 CG ARG A 76 12.882 -2.292 1.926 1.00 0.00 C ATOM 1183 CD ARG A 76 13.262 -3.591 2.626 1.00 0.00 C ATOM 1184 NE ARG A 76 14.222 -4.391 1.868 1.00 0.00 N ATOM 1185 CZ ARG A 76 14.151 -5.721 1.754 1.00 0.00 C ATOM 1186 NH1 ARG A 76 13.107 -6.382 2.248 1.00 0.00 N ATOM 1187 NH2 ARG A 76 15.122 -6.386 1.143 1.00 0.00 N ATOM 0 H ARG A 76 12.781 1.126 2.613 1.00 0.00 H new ATOM 0 HA ARG A 76 10.876 -0.614 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.564 -1.083 3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.206 -2.107 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.376 -2.512 0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.781 -1.727 1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.683 -3.360 3.604 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.362 -4.181 2.798 1.00 0.00 H new ATOM 0 HE ARG A 76 14.989 -3.908 1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.357 -5.874 2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.057 -7.397 2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.922 -5.883 0.760 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.068 -7.401 1.056 1.00 0.00 H new ATOM 1201 N PHE A 77 8.953 0.022 2.641 1.00 0.00 N ATOM 1202 CA PHE A 77 7.802 0.393 3.452 1.00 0.00 C ATOM 1203 C PHE A 77 7.040 -0.863 3.862 1.00 0.00 C ATOM 1204 O PHE A 77 6.690 -1.681 3.012 1.00 0.00 O ATOM 1205 CB PHE A 77 6.865 1.322 2.671 1.00 0.00 C ATOM 1206 CG PHE A 77 7.525 2.559 2.127 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.168 2.537 0.898 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.494 3.744 2.840 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.770 3.674 0.395 1.00 0.00 C ATOM 1210 CE2 PHE A 77 8.092 4.884 2.341 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.731 4.849 1.117 1.00 0.00 C ATOM 0 H PHE A 77 8.714 -0.429 1.758 1.00 0.00 H new ATOM 0 HA PHE A 77 8.158 0.918 4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.428 0.764 1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.044 1.620 3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.198 1.620 0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.996 3.778 3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.270 3.643 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.060 5.803 2.908 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.199 5.740 0.726 1.00 0.00 H new ATOM 1221 N ARG A 78 6.794 -1.030 5.154 1.00 0.00 N ATOM 1222 CA ARG A 78 6.063 -2.197 5.624 1.00 0.00 C ATOM 1223 C ARG A 78 4.568 -1.941 5.501 1.00 0.00 C ATOM 1224 O ARG A 78 4.021 -1.058 6.162 1.00 0.00 O ATOM 1225 CB ARG A 78 6.439 -2.546 7.067 1.00 0.00 C ATOM 1226 CG ARG A 78 5.964 -3.930 7.489 1.00 0.00 C ATOM 1227 CD ARG A 78 6.588 -4.375 8.803 1.00 0.00 C ATOM 1228 NE ARG A 78 6.062 -3.643 9.952 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.392 -3.910 11.213 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.281 -4.852 11.494 1.00 0.00 N ATOM 1231 NH2 ARG A 78 5.823 -3.234 12.202 1.00 0.00 N ATOM 0 H ARG A 78 7.085 -0.382 5.886 1.00 0.00 H new ATOM 0 HA ARG A 78 6.333 -3.052 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.522 -2.490 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.011 -1.801 7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.878 -3.926 7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.211 -4.650 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.409 -5.441 8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.668 -4.237 8.753 1.00 0.00 H new ATOM 0 HE ARG A 78 5.404 -2.883 9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.720 -5.381 10.740 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.527 -5.048 12.464 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.134 -2.511 11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.075 -3.437 13.169 1.00 0.00 H new ATOM 1245 N LEU A 79 3.918 -2.723 4.644 1.00 0.00 N ATOM 1246 CA LEU A 79 2.514 -2.514 4.291 1.00 0.00 C ATOM 1247 C LEU A 79 1.590 -2.612 5.503 1.00 0.00 C ATOM 1248 O LEU A 79 0.482 -2.071 5.492 1.00 0.00 O ATOM 1249 CB LEU A 79 2.095 -3.537 3.233 1.00 0.00 C ATOM 1250 CG LEU A 79 2.910 -3.496 1.941 1.00 0.00 C ATOM 1251 CD1 LEU A 79 2.469 -4.600 0.995 1.00 0.00 C ATOM 1252 CD2 LEU A 79 2.780 -2.139 1.269 1.00 0.00 C ATOM 0 H LEU A 79 4.348 -3.520 4.174 1.00 0.00 H new ATOM 0 HA LEU A 79 2.420 -1.503 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.173 -4.536 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.045 -3.376 2.989 1.00 0.00 H new ATOM 0 HG LEU A 79 3.958 -3.657 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.061 -4.554 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.614 -5.569 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.415 -4.471 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.367 -2.130 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.733 -1.949 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.146 -1.363 1.942 1.00 0.00 H new ATOM 1264 N SER A 80 2.051 -3.298 6.539 1.00 0.00 N ATOM 1265 CA SER A 80 1.268 -3.493 7.751 1.00 0.00 C ATOM 1266 C SER A 80 0.916 -2.154 8.409 1.00 0.00 C ATOM 1267 O SER A 80 -0.258 -1.832 8.596 1.00 0.00 O ATOM 1268 CB SER A 80 2.062 -4.366 8.724 1.00 0.00 C ATOM 1269 OG SER A 80 2.639 -5.471 8.046 1.00 0.00 O ATOM 0 H SER A 80 2.973 -3.733 6.564 1.00 0.00 H new ATOM 0 HA SER A 80 0.333 -3.987 7.488 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.845 -3.773 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.407 -4.722 9.519 1.00 0.00 H new ATOM 0 HG SER A 80 3.145 -6.018 8.683 1.00 0.00 H new ATOM 1275 N ASP A 81 1.938 -1.370 8.737 1.00 0.00 N ATOM 1276 CA ASP A 81 1.744 -0.116 9.465 1.00 0.00 C ATOM 1277 C ASP A 81 1.844 1.084 8.538 1.00 0.00 C ATOM 1278 O ASP A 81 1.238 2.125 8.786 1.00 0.00 O ATOM 1279 CB ASP A 81 2.805 0.058 10.563 1.00 0.00 C ATOM 1280 CG ASP A 81 3.599 -1.199 10.849 1.00 0.00 C ATOM 1281 OD1 ASP A 81 4.338 -1.661 9.950 1.00 0.00 O ATOM 1282 OD2 ASP A 81 3.507 -1.718 11.982 1.00 0.00 O ATOM 0 H ASP A 81 2.910 -1.579 8.511 1.00 0.00 H new ATOM 0 HA ASP A 81 0.748 -0.167 9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.492 0.852 10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.315 0.384 11.481 1.00 0.00 H new ATOM 1287 N GLY A 82 2.612 0.935 7.471 1.00 0.00 N ATOM 1288 CA GLY A 82 2.970 2.075 6.653 1.00 0.00 C ATOM 1289 C GLY A 82 4.272 2.672 7.135 1.00 0.00 C ATOM 1290 O GLY A 82 4.587 3.832 6.866 1.00 0.00 O ATOM 0 H GLY A 82 2.995 0.044 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.065 1.769 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.180 2.825 6.695 1.00 0.00 H new ATOM 1294 N LEU A 83 5.023 1.855 7.860 1.00 0.00 N ATOM 1295 CA LEU A 83 6.284 2.268 8.450 1.00 0.00 C ATOM 1296 C LEU A 83 7.418 2.142 7.443 1.00 0.00 C ATOM 1297 O LEU A 83 7.464 1.191 6.662 1.00 0.00 O ATOM 1298 CB LEU A 83 6.598 1.394 9.668 1.00 0.00 C ATOM 1299 CG LEU A 83 7.866 1.774 10.436 1.00 0.00 C ATOM 1300 CD1 LEU A 83 7.562 2.831 11.489 1.00 0.00 C ATOM 1301 CD2 LEU A 83 8.507 0.544 11.060 1.00 0.00 C ATOM 0 H LEU A 83 4.773 0.886 8.055 1.00 0.00 H new ATOM 0 HA LEU A 83 6.193 3.311 8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.751 1.437 10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.689 0.359 9.338 1.00 0.00 H new ATOM 0 HG LEU A 83 8.579 2.201 9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.477 3.086 12.023 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.163 3.723 11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.827 2.442 12.194 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.407 0.837 11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.804 0.078 11.751 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.770 -0.166 10.276 1.00 0.00 H new ATOM 1313 N CYS A 84 8.323 3.101 7.463 1.00 0.00 N ATOM 1314 CA CYS A 84 9.530 3.018 6.663 1.00 0.00 C ATOM 1315 C CYS A 84 10.586 2.226 7.424 1.00 0.00 C ATOM 1316 O CYS A 84 10.637 2.280 8.650 1.00 0.00 O ATOM 1317 CB CYS A 84 10.042 4.419 6.342 1.00 0.00 C ATOM 1318 SG CYS A 84 8.802 5.507 5.607 1.00 0.00 S ATOM 0 H CYS A 84 8.245 3.948 8.026 1.00 0.00 H new ATOM 0 HA CYS A 84 9.311 2.509 5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.414 4.877 7.258 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.888 4.337 5.660 1.00 0.00 H new ATOM 0 HG CYS A 84 8.409 5.012 4.471 1.00 0.00 H new ATOM 1324 N MET A 85 11.405 1.476 6.699 1.00 0.00 N ATOM 1325 CA MET A 85 12.429 0.640 7.316 1.00 0.00 C ATOM 1326 C MET A 85 13.385 1.468 8.180 1.00 0.00 C ATOM 1327 O MET A 85 13.348 1.386 9.405 1.00 0.00 O ATOM 1328 CB MET A 85 13.213 -0.113 6.238 1.00 0.00 C ATOM 1329 CG MET A 85 14.163 -1.157 6.796 1.00 0.00 C ATOM 1330 SD MET A 85 15.048 -2.041 5.501 1.00 0.00 S ATOM 1331 CE MET A 85 15.971 -3.221 6.481 1.00 0.00 C ATOM 0 H MET A 85 11.381 1.429 5.680 1.00 0.00 H new ATOM 0 HA MET A 85 11.928 -0.078 7.966 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.510 -0.598 5.561 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.782 0.604 5.646 1.00 0.00 H new ATOM 0 HG2 MET A 85 14.881 -0.674 7.458 1.00 0.00 H new ATOM 0 HG3 MET A 85 13.601 -1.870 7.400 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.574 -3.848 5.824 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.623 -2.688 7.173 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.279 -3.847 7.044 1.00 0.00 H new ATOM 1341 N GLU A 86 14.242 2.254 7.544 1.00 0.00 N ATOM 1342 CA GLU A 86 15.188 3.092 8.281 1.00 0.00 C ATOM 1343 C GLU A 86 14.613 4.486 8.518 1.00 0.00 C ATOM 1344 O GLU A 86 14.964 5.164 9.483 1.00 0.00 O ATOM 1345 CB GLU A 86 16.537 3.169 7.558 1.00 0.00 C ATOM 1346 CG GLU A 86 16.448 3.619 6.111 1.00 0.00 C ATOM 1347 CD GLU A 86 17.812 3.699 5.458 1.00 0.00 C ATOM 1348 OE1 GLU A 86 18.301 2.659 4.968 1.00 0.00 O ATOM 1349 OE2 GLU A 86 18.411 4.798 5.453 1.00 0.00 O ATOM 0 H GLU A 86 14.305 2.332 6.529 1.00 0.00 H new ATOM 0 HA GLU A 86 15.358 2.629 9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.187 3.856 8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.010 2.188 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.819 2.925 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.965 4.595 6.064 1.00 0.00 H new ATOM 1356 N ASP A 87 13.701 4.881 7.642 1.00 0.00 N ATOM 1357 CA ASP A 87 13.073 6.205 7.678 1.00 0.00 C ATOM 1358 C ASP A 87 11.877 6.226 8.630 1.00 0.00 C ATOM 1359 O ASP A 87 11.084 7.165 8.616 1.00 0.00 O ATOM 1360 CB ASP A 87 12.634 6.626 6.275 1.00 0.00 C ATOM 1361 CG ASP A 87 13.784 6.641 5.288 1.00 0.00 C ATOM 1362 OD1 ASP A 87 14.550 7.629 5.274 1.00 0.00 O ATOM 1363 OD2 ASP A 87 13.935 5.662 4.531 1.00 0.00 O ATOM 0 H ASP A 87 13.370 4.292 6.878 1.00 0.00 H new ATOM 0 HA ASP A 87 13.814 6.915 8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.862 5.943 5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.185 7.618 6.320 1.00 0.00 H new ATOM 1368 N GLU A 88 11.743 5.151 9.409 1.00 0.00 N ATOM 1369 CA GLU A 88 10.622 4.921 10.339 1.00 0.00 C ATOM 1370 C GLU A 88 10.106 6.182 11.053 1.00 0.00 C ATOM 1371 O GLU A 88 8.904 6.300 11.302 1.00 0.00 O ATOM 1372 CB GLU A 88 11.043 3.883 11.385 1.00 0.00 C ATOM 1373 CG GLU A 88 12.342 4.232 12.097 1.00 0.00 C ATOM 1374 CD GLU A 88 12.776 3.169 13.084 1.00 0.00 C ATOM 1375 OE1 GLU A 88 13.379 2.165 12.654 1.00 0.00 O ATOM 1376 OE2 GLU A 88 12.534 3.344 14.295 1.00 0.00 O ATOM 0 H GLU A 88 12.426 4.393 9.415 1.00 0.00 H new ATOM 0 HA GLU A 88 9.792 4.567 9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.249 3.781 12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.153 2.913 10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.129 4.376 11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.220 5.180 12.621 1.00 0.00 H new ATOM 1383 N GLN A 89 10.993 7.117 11.382 1.00 0.00 N ATOM 1384 CA GLN A 89 10.592 8.328 12.097 1.00 0.00 C ATOM 1385 C GLN A 89 9.647 9.191 11.263 1.00 0.00 C ATOM 1386 O GLN A 89 8.899 10.010 11.800 1.00 0.00 O ATOM 1387 CB GLN A 89 11.817 9.141 12.510 1.00 0.00 C ATOM 1388 CG GLN A 89 12.565 8.544 13.689 1.00 0.00 C ATOM 1389 CD GLN A 89 11.683 8.404 14.909 1.00 0.00 C ATOM 1390 OE1 GLN A 89 11.061 7.364 15.128 1.00 0.00 O ATOM 1391 NE2 GLN A 89 11.608 9.460 15.699 1.00 0.00 N ATOM 0 H GLN A 89 11.989 7.062 11.167 1.00 0.00 H new ATOM 0 HA GLN A 89 10.056 8.013 12.992 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.495 9.220 11.660 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.504 10.154 12.763 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.957 7.566 13.411 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.421 9.174 13.931 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.141 10.301 15.478 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.017 9.434 16.530 1.00 0.00 H new ATOM 1400 N PHE A 90 9.682 9.006 9.955 1.00 0.00 N ATOM 1401 CA PHE A 90 8.790 9.727 9.066 1.00 0.00 C ATOM 1402 C PHE A 90 7.547 8.889 8.796 1.00 0.00 C ATOM 1403 O PHE A 90 6.467 9.180 9.314 1.00 0.00 O ATOM 1404 CB PHE A 90 9.493 10.067 7.747 1.00 0.00 C ATOM 1405 CG PHE A 90 10.845 10.692 7.928 1.00 0.00 C ATOM 1406 CD1 PHE A 90 10.980 11.909 8.571 1.00 0.00 C ATOM 1407 CD2 PHE A 90 11.982 10.053 7.462 1.00 0.00 C ATOM 1408 CE1 PHE A 90 12.225 12.480 8.745 1.00 0.00 C ATOM 1409 CE2 PHE A 90 13.229 10.617 7.632 1.00 0.00 C ATOM 1410 CZ PHE A 90 13.351 11.832 8.275 1.00 0.00 C ATOM 0 H PHE A 90 10.319 8.362 9.485 1.00 0.00 H new ATOM 0 HA PHE A 90 8.499 10.661 9.547 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.599 9.157 7.157 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.862 10.746 7.174 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.102 12.418 8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 90 11.891 9.101 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 90 12.318 13.431 9.248 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.108 10.109 7.263 1.00 0.00 H new ATOM 0 HZ PHE A 90 14.326 12.276 8.411 1.00 0.00 H new ATOM 1420 N SER A 91 7.728 7.833 8.002 1.00 0.00 N ATOM 1421 CA SER A 91 6.651 6.916 7.633 1.00 0.00 C ATOM 1422 C SER A 91 5.537 7.618 6.854 1.00 0.00 C ATOM 1423 O SER A 91 5.573 8.834 6.635 1.00 0.00 O ATOM 1424 CB SER A 91 6.087 6.220 8.874 1.00 0.00 C ATOM 1425 OG SER A 91 7.086 5.433 9.502 1.00 0.00 O ATOM 0 H SER A 91 8.631 7.589 7.595 1.00 0.00 H new ATOM 0 HA SER A 91 7.080 6.163 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.709 6.964 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.243 5.590 8.592 1.00 0.00 H new ATOM 0 HG SER A 91 7.580 5.984 10.144 1.00 0.00 H new ATOM 1431 N VAL A 92 4.560 6.836 6.418 1.00 0.00 N ATOM 1432 CA VAL A 92 3.435 7.362 5.664 1.00 0.00 C ATOM 1433 C VAL A 92 2.129 7.037 6.378 1.00 0.00 C ATOM 1434 O VAL A 92 2.126 6.309 7.371 1.00 0.00 O ATOM 1435 CB VAL A 92 3.398 6.793 4.226 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.648 7.195 3.458 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.243 5.279 4.236 1.00 0.00 C ATOM 0 H VAL A 92 4.526 5.829 6.576 1.00 0.00 H new ATOM 0 HA VAL A 92 3.557 8.443 5.597 1.00 0.00 H new ATOM 0 HB VAL A 92 2.529 7.217 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.603 6.785 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.709 8.282 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.529 6.806 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.220 4.909 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.084 4.831 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.314 5.012 4.739 1.00 0.00 H new ATOM 1447 N LYS A 93 1.024 7.579 5.884 1.00 0.00 N ATOM 1448 CA LYS A 93 -0.273 7.319 6.488 1.00 0.00 C ATOM 1449 C LYS A 93 -0.862 6.031 5.925 1.00 0.00 C ATOM 1450 O LYS A 93 -0.880 5.825 4.708 1.00 0.00 O ATOM 1451 CB LYS A 93 -1.228 8.499 6.266 1.00 0.00 C ATOM 1452 CG LYS A 93 -2.594 8.304 6.917 1.00 0.00 C ATOM 1453 CD LYS A 93 -3.389 9.604 7.045 1.00 0.00 C ATOM 1454 CE LYS A 93 -3.841 10.166 5.699 1.00 0.00 C ATOM 1455 NZ LYS A 93 -2.742 10.839 4.959 1.00 0.00 N ATOM 0 H LYS A 93 1.000 8.197 5.073 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.138 7.200 7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.771 9.406 6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.363 8.651 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.171 7.589 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.459 7.869 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.264 9.427 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.777 10.348 7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.242 9.357 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.652 10.876 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.085 11.742 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.947 11.018 5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.424 10.229 4.179 1.00 0.00 H new ATOM 1469 N HIS A 94 -1.331 5.167 6.813 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.875 3.881 6.414 1.00 0.00 C ATOM 1471 C HIS A 94 -3.361 4.011 6.123 1.00 0.00 C ATOM 1472 O HIS A 94 -4.068 4.777 6.783 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.655 2.841 7.517 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.952 1.430 7.098 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -3.135 0.781 7.381 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.193 0.537 6.422 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -3.089 -0.446 6.897 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -1.920 -0.622 6.310 1.00 0.00 N ATOM 0 H HIS A 94 -1.345 5.336 7.819 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.359 3.553 5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.620 2.898 7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -2.283 3.095 8.371 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.923 1.186 7.886 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.197 0.705 6.040 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.876 -1.182 6.969 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.824 3.283 5.127 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.236 3.251 4.803 1.00 0.00 C ATOM 1489 C TYR A 95 -5.749 1.831 4.947 1.00 0.00 C ATOM 1490 O TYR A 95 -5.176 0.894 4.389 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.471 3.787 3.389 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.897 5.168 3.187 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -5.505 6.282 3.750 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -3.729 5.358 2.461 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -4.969 7.544 3.590 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -3.186 6.618 2.301 1.00 0.00 C ATOM 1497 CZ TYR A 95 -3.809 7.705 2.868 1.00 0.00 C ATOM 1498 OH TYR A 95 -3.265 8.960 2.722 1.00 0.00 O ATOM 0 H TYR A 95 -3.240 2.703 4.525 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.785 3.893 5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.025 3.103 2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.542 3.810 3.187 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.412 6.159 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.237 4.507 2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.458 8.401 4.029 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.277 6.749 1.733 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.447 8.901 2.186 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.810 1.680 5.719 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.340 0.363 6.039 1.00 0.00 C ATOM 1510 C GLU A 96 -8.041 -0.241 4.834 1.00 0.00 C ATOM 1511 O GLU A 96 -8.931 0.381 4.250 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.297 0.443 7.232 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.603 0.379 8.587 1.00 0.00 C ATOM 1514 CD GLU A 96 -6.597 1.492 8.806 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -7.018 2.619 9.133 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -5.380 1.239 8.669 1.00 0.00 O ATOM 0 H GLU A 96 -7.324 2.455 6.138 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.505 -0.284 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.864 1.372 7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.015 -0.374 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.356 0.421 9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.096 -0.581 8.682 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.634 -1.442 4.459 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.197 -2.113 3.299 1.00 0.00 C ATOM 1525 C ALA A 97 -8.722 -3.495 3.666 1.00 0.00 C ATOM 1526 O ALA A 97 -8.102 -4.220 4.447 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.153 -2.222 2.197 1.00 0.00 C ATOM 0 H ALA A 97 -6.912 -1.975 4.944 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.035 -1.518 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.587 -2.726 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.824 -1.224 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.299 -2.794 2.560 1.00 0.00 H new ATOM 1533 N ARG A 98 -9.870 -3.852 3.104 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.441 -5.177 3.310 1.00 0.00 C ATOM 1535 C ARG A 98 -11.298 -5.570 2.111 1.00 0.00 C ATOM 1536 O ARG A 98 -11.645 -4.723 1.288 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.280 -5.228 4.596 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.708 -4.723 4.440 1.00 0.00 C ATOM 1539 CD ARG A 98 -13.473 -4.845 5.746 1.00 0.00 C ATOM 1540 NE ARG A 98 -14.913 -4.645 5.573 1.00 0.00 N ATOM 1541 CZ ARG A 98 -15.680 -3.975 6.437 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -15.136 -3.423 7.519 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -16.988 -3.872 6.233 1.00 0.00 N ATOM 0 H ARG A 98 -10.424 -3.243 2.502 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.620 -5.886 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.309 -6.257 4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.781 -4.637 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.696 -3.682 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.216 -5.293 3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.295 -5.830 6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.091 -4.113 6.457 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.356 -5.041 4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.134 -3.512 7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.721 -2.911 8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.412 -4.306 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.569 -3.359 6.896 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.638 -6.846 2.015 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.454 -7.335 0.914 1.00 0.00 C ATOM 1559 C VAL A 99 -13.926 -7.430 1.327 1.00 0.00 C ATOM 1560 O VAL A 99 -14.286 -8.175 2.239 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.954 -8.710 0.422 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.826 -9.237 -0.704 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.500 -8.618 -0.025 1.00 0.00 C ATOM 0 H VAL A 99 -11.361 -7.562 2.687 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.366 -6.621 0.095 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.019 -9.412 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.451 -10.207 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.851 -9.345 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.803 -8.538 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -10.163 -9.596 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.414 -7.898 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.882 -8.295 0.812 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.761 -6.646 0.662 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.193 -6.619 0.930 1.00 0.00 C ATOM 1575 C LYS A 100 -16.969 -7.057 -0.295 1.00 0.00 C ATOM 1576 O LYS A 100 -17.002 -6.327 -1.286 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.637 -5.206 1.278 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.075 -5.123 1.761 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.664 -3.735 1.568 1.00 0.00 C ATOM 1580 CE LYS A 100 -19.294 -3.571 0.187 1.00 0.00 C ATOM 1581 NZ LYS A 100 -18.290 -3.547 -0.917 1.00 0.00 N ATOM 0 H LYS A 100 -14.466 -6.010 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.388 -7.296 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.979 -4.807 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.520 -4.571 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.681 -5.851 1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.118 -5.391 2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.416 -3.550 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.882 -2.987 1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.995 -4.388 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.871 -2.646 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.357 -2.644 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.334 -3.649 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.478 -4.331 -1.574 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.597 -8.227 -0.230 1.00 0.00 N ATOM 1596 CA ASP A 101 -18.387 -8.742 -1.353 1.00 0.00 C ATOM 1597 C ASP A 101 -17.487 -8.910 -2.579 1.00 0.00 C ATOM 1598 O ASP A 101 -17.922 -8.826 -3.728 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.563 -7.792 -1.648 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.546 -8.345 -2.661 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -21.099 -9.440 -2.428 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.777 -7.681 -3.694 1.00 0.00 O ATOM 0 H ASP A 101 -17.577 -8.839 0.586 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.800 -9.717 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -20.091 -7.581 -0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.171 -6.843 -2.014 1.00 0.00 H new ATOM 1607 N GLY A 102 -16.209 -9.148 -2.310 1.00 0.00 N ATOM 1608 CA GLY A 102 -15.239 -9.303 -3.371 1.00 0.00 C ATOM 1609 C GLY A 102 -14.613 -7.983 -3.768 1.00 0.00 C ATOM 1610 O GLY A 102 -13.688 -7.952 -4.573 1.00 0.00 O ATOM 0 H GLY A 102 -15.828 -9.236 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.458 -9.992 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.721 -9.751 -4.240 1.00 0.00 H new ATOM 1614 N VAL A 103 -15.099 -6.890 -3.192 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.629 -5.566 -3.564 1.00 0.00 C ATOM 1616 C VAL A 103 -13.632 -5.048 -2.539 1.00 0.00 C ATOM 1617 O VAL A 103 -13.842 -5.181 -1.334 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.799 -4.566 -3.691 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.310 -3.221 -4.207 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.882 -5.126 -4.599 1.00 0.00 C ATOM 0 H VAL A 103 -15.817 -6.897 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.142 -5.654 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.225 -4.413 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.152 -2.534 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.573 -2.812 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.853 -3.352 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.699 -4.408 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.466 -5.312 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.259 -6.060 -4.183 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.546 -4.479 -3.023 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.531 -3.897 -2.154 1.00 0.00 C ATOM 1632 C VAL A 104 -12.023 -2.576 -1.577 1.00 0.00 C ATOM 1633 O VAL A 104 -12.310 -1.633 -2.319 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.203 -3.651 -2.909 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.129 -3.136 -1.959 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.740 -4.923 -3.605 1.00 0.00 C ATOM 0 H VAL A 104 -12.339 -4.405 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.348 -4.611 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.378 -2.889 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.204 -2.970 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.458 -2.198 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.955 -3.871 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.805 -4.730 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.585 -5.707 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.498 -5.243 -4.319 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.126 -2.522 -0.257 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.587 -1.324 0.428 1.00 0.00 C ATOM 1648 C GLN A 105 -11.411 -0.552 0.999 1.00 0.00 C ATOM 1649 O GLN A 105 -10.453 -1.153 1.490 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.531 -1.680 1.572 1.00 0.00 C ATOM 1651 CG GLN A 105 -14.706 -2.551 1.183 1.00 0.00 C ATOM 1652 CD GLN A 105 -15.530 -1.973 0.056 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -15.317 -2.286 -1.111 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -16.483 -1.123 0.394 1.00 0.00 N ATOM 0 H GLN A 105 -11.895 -3.298 0.363 1.00 0.00 H new ATOM 0 HA GLN A 105 -13.115 -0.712 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -12.961 -2.190 2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -13.911 -0.757 2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -14.339 -3.534 0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.345 -2.697 2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -16.631 -0.886 1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -17.071 -0.703 -0.326 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.497 0.771 0.949 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.472 1.629 1.527 1.00 0.00 C ATOM 1665 C LEU A 106 -11.062 2.580 2.560 1.00 0.00 C ATOM 1666 O LEU A 106 -11.994 3.331 2.269 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.770 2.454 0.447 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.865 1.677 -0.503 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -8.120 2.640 -1.413 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.885 0.815 0.275 1.00 0.00 C ATOM 0 H LEU A 106 -12.269 1.274 0.512 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.750 0.973 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.530 2.965 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.174 3.225 0.936 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.483 1.020 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.476 2.077 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.837 3.220 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.512 3.314 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.249 0.269 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.267 1.450 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.435 0.107 0.895 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.511 2.541 3.764 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.855 3.496 4.805 1.00 0.00 C ATOM 1684 C ARG A 107 -9.627 4.330 5.144 1.00 0.00 C ATOM 1685 O ARG A 107 -8.588 3.785 5.512 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.345 2.788 6.069 1.00 0.00 C ATOM 1687 CG ARG A 107 -11.838 3.747 7.133 1.00 0.00 C ATOM 1688 CD ARG A 107 -11.913 3.087 8.501 1.00 0.00 C ATOM 1689 NE ARG A 107 -10.583 2.913 9.089 1.00 0.00 N ATOM 1690 CZ ARG A 107 -10.294 3.151 10.371 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -11.254 3.503 11.223 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -9.043 3.044 10.801 1.00 0.00 N ATOM 0 H ARG A 107 -9.816 1.850 4.045 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.659 4.132 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.150 2.102 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.534 2.186 6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.172 4.609 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.824 4.121 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -12.529 3.694 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -12.402 2.117 8.411 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.830 2.590 8.481 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -12.217 3.592 10.898 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.027 3.683 12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.302 2.780 10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.823 3.226 11.780 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.741 5.640 5.027 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.604 6.492 5.298 1.00 0.00 C ATOM 1708 C GLY A 108 -8.830 7.415 6.479 1.00 0.00 C ATOM 1709 O GLY A 108 -9.967 7.593 6.936 1.00 0.00 O ATOM 0 H GLY A 108 -10.593 6.128 4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.728 5.872 5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.384 7.089 4.413 1.00 0.00 H new