USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 43 ASN : amide:sc= -0.597 K(o=-4.1,f=-0.57) USER MOD Set 1.2: A 77 HIS : no HE2:sc= -3.45! C(o=-4.1!,f=-5.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= -0.283 (180deg=-1.26!) USER MOD Single : A 38 LYS NZ :NH3+ -114:sc= -0.233 (180deg=-1.24) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.021) USER MOD Single : A 50 CYS SG : rot -130:sc= -0.104 USER MOD Single : A 51 MET CE :methyl -175:sc= 0 (180deg=-0.0135) USER MOD Single : A 53 THR OG1 : rot 90:sc= 0.29 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -127:sc= 0 (180deg=-0.228) USER MOD Single : A 59 THR OG1 : rot -41:sc= -0.264 USER MOD Single : A 61 MET CE :methyl 169:sc= -0.0379 (180deg=-0.137) USER MOD Single : A 67 SER OG : rot 8:sc= -1.37 USER MOD Single : A 68 GLN : amide:sc= -2.16! K(o=-2.2!,f=-3.1) USER MOD Single : A 69 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.028) USER MOD Single : A 71 ASN : amide:sc= -3.86! K(o=-3.9!,f=-1.7) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.3 K(o=-1.3,f=-5.1!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 140:sc= -0.322 (180deg=-1.63!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -13.608 -12.349 -19.991 1.00 0.00 N ATOM 2 CA ASP A 16 -13.043 -11.293 -20.866 1.00 0.00 C ATOM 3 C ASP A 16 -13.886 -10.024 -20.798 1.00 0.00 C ATOM 4 O ASP A 16 -13.501 -8.990 -21.305 1.00 0.00 O ATOM 5 CB ASP A 16 -13.048 -11.808 -22.314 1.00 0.00 C ATOM 6 CG ASP A 16 -11.856 -12.747 -22.522 1.00 0.00 C ATOM 7 OD1 ASP A 16 -10.751 -12.264 -22.341 1.00 0.00 O ATOM 8 OD2 ASP A 16 -12.120 -13.892 -22.849 1.00 0.00 O ATOM 0 HA ASP A 16 -12.031 -11.061 -20.534 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -13.980 -12.333 -22.522 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.992 -10.971 -23.010 1.00 0.00 H new ATOM 13 N ARG A 17 -15.025 -10.128 -20.170 1.00 0.00 N ATOM 14 CA ARG A 17 -15.907 -8.940 -20.056 1.00 0.00 C ATOM 15 C ARG A 17 -15.178 -7.778 -19.387 1.00 0.00 C ATOM 16 O ARG A 17 -14.062 -7.922 -18.930 1.00 0.00 O ATOM 17 CB ARG A 17 -17.122 -9.325 -19.199 1.00 0.00 C ATOM 18 CG ARG A 17 -17.832 -10.518 -19.846 1.00 0.00 C ATOM 19 CD ARG A 17 -17.504 -11.788 -19.055 1.00 0.00 C ATOM 20 NE ARG A 17 -17.868 -12.979 -19.875 1.00 0.00 N ATOM 21 CZ ARG A 17 -16.931 -13.634 -20.507 1.00 0.00 C ATOM 22 NH1 ARG A 17 -16.164 -12.989 -21.344 1.00 0.00 N ATOM 23 NH2 ARG A 17 -16.791 -14.912 -20.280 1.00 0.00 N ATOM 0 H ARG A 17 -15.379 -10.980 -19.734 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.212 -8.625 -21.054 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.804 -9.580 -18.188 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.806 -8.480 -19.115 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.909 -10.352 -19.860 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.513 -10.628 -20.882 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.443 -11.813 -18.806 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.053 -11.797 -18.113 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.840 -13.280 -19.942 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.302 -11.990 -21.496 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.427 -13.484 -21.846 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.408 -15.383 -19.618 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.065 -15.439 -20.764 1.00 0.00 H new ATOM 37 N SER A 18 -15.827 -6.643 -19.343 1.00 0.00 N ATOM 38 CA SER A 18 -15.191 -5.458 -18.709 1.00 0.00 C ATOM 39 C SER A 18 -14.587 -5.819 -17.356 1.00 0.00 C ATOM 40 O SER A 18 -15.186 -6.534 -16.578 1.00 0.00 O ATOM 41 CB SER A 18 -16.275 -4.389 -18.497 1.00 0.00 C ATOM 42 OG SER A 18 -15.543 -3.198 -18.245 1.00 0.00 O ATOM 0 H SER A 18 -16.763 -6.489 -19.717 1.00 0.00 H new ATOM 0 HA SER A 18 -14.394 -5.092 -19.356 1.00 0.00 H new ATOM 0 HB2 SER A 18 -16.912 -4.287 -19.376 1.00 0.00 H new ATOM 0 HB3 SER A 18 -16.926 -4.642 -17.660 1.00 0.00 H new ATOM 0 HG SER A 18 -16.166 -2.456 -18.099 1.00 0.00 H new ATOM 48 N LEU A 19 -13.406 -5.310 -17.100 1.00 0.00 N ATOM 49 CA LEU A 19 -12.742 -5.611 -15.803 1.00 0.00 C ATOM 50 C LEU A 19 -12.982 -4.488 -14.799 1.00 0.00 C ATOM 51 O LEU A 19 -13.206 -3.355 -15.173 1.00 0.00 O ATOM 52 CB LEU A 19 -11.219 -5.750 -16.040 1.00 0.00 C ATOM 53 CG LEU A 19 -10.840 -5.142 -17.398 1.00 0.00 C ATOM 54 CD1 LEU A 19 -10.977 -3.619 -17.326 1.00 0.00 C ATOM 55 CD2 LEU A 19 -9.386 -5.502 -17.720 1.00 0.00 C ATOM 0 H LEU A 19 -12.880 -4.704 -17.730 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.157 -6.536 -15.403 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.671 -5.248 -15.242 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.933 -6.801 -16.011 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.499 -5.533 -18.173 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.709 -3.184 -18.289 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.007 -3.357 -17.084 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.313 -3.230 -16.554 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.110 -5.073 -18.683 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.732 -5.103 -16.945 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.280 -6.586 -17.761 1.00 0.00 H new ATOM 67 N ARG A 20 -12.927 -4.827 -13.535 1.00 0.00 N ATOM 68 CA ARG A 20 -13.150 -3.795 -12.485 1.00 0.00 C ATOM 69 C ARG A 20 -12.378 -2.498 -12.814 1.00 0.00 C ATOM 70 O ARG A 20 -11.168 -2.470 -12.741 1.00 0.00 O ATOM 71 CB ARG A 20 -12.615 -4.352 -11.154 1.00 0.00 C ATOM 72 CG ARG A 20 -12.891 -5.856 -11.085 1.00 0.00 C ATOM 73 CD ARG A 20 -11.594 -6.617 -11.366 1.00 0.00 C ATOM 74 NE ARG A 20 -10.600 -6.284 -10.307 1.00 0.00 N ATOM 75 CZ ARG A 20 -9.518 -7.005 -10.196 1.00 0.00 C ATOM 76 NH1 ARG A 20 -9.038 -7.589 -11.260 1.00 0.00 N ATOM 77 NH2 ARG A 20 -8.952 -7.115 -9.025 1.00 0.00 N ATOM 0 H ARG A 20 -12.738 -5.768 -13.190 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.214 -3.565 -12.428 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.545 -4.163 -11.072 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.093 -3.844 -10.316 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.278 -6.122 -10.101 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.654 -6.132 -11.813 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.783 -7.690 -11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.204 -6.347 -12.347 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.764 -5.500 -9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.508 -7.478 -12.159 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.193 -8.157 -11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.356 -6.642 -8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.106 -7.674 -8.918 1.00 0.00 H new ATOM 91 N PRO A 21 -13.099 -1.437 -13.178 1.00 0.00 N ATOM 92 CA PRO A 21 -12.460 -0.161 -13.509 1.00 0.00 C ATOM 93 C PRO A 21 -11.841 0.495 -12.275 1.00 0.00 C ATOM 94 O PRO A 21 -10.743 1.015 -12.331 1.00 0.00 O ATOM 95 CB PRO A 21 -13.603 0.730 -14.041 1.00 0.00 C ATOM 96 CG PRO A 21 -14.930 -0.075 -13.887 1.00 0.00 C ATOM 97 CD PRO A 21 -14.566 -1.448 -13.301 1.00 0.00 C ATOM 0 HA PRO A 21 -11.654 -0.302 -14.229 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.654 1.664 -13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.432 0.992 -15.085 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.624 0.451 -13.232 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.425 -0.188 -14.851 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -15.041 -1.602 -12.332 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.901 -2.256 -13.952 1.00 0.00 H new ATOM 105 N GLU A 22 -12.559 0.460 -11.185 1.00 0.00 N ATOM 106 CA GLU A 22 -12.031 1.076 -9.941 1.00 0.00 C ATOM 107 C GLU A 22 -10.563 0.731 -9.744 1.00 0.00 C ATOM 108 O GLU A 22 -9.783 1.554 -9.311 1.00 0.00 O ATOM 109 CB GLU A 22 -12.831 0.524 -8.752 1.00 0.00 C ATOM 110 CG GLU A 22 -14.282 0.997 -8.863 1.00 0.00 C ATOM 111 CD GLU A 22 -14.342 2.504 -8.608 1.00 0.00 C ATOM 112 OE1 GLU A 22 -13.547 2.948 -7.795 1.00 0.00 O ATOM 113 OE2 GLU A 22 -15.179 3.127 -9.240 1.00 0.00 O ATOM 0 H GLU A 22 -13.482 0.034 -11.105 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.127 2.159 -10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.790 -0.565 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.395 0.866 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.677 0.768 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.905 0.469 -8.141 1.00 0.00 H new ATOM 120 N GLU A 23 -10.212 -0.482 -10.067 1.00 0.00 N ATOM 121 CA GLU A 23 -8.798 -0.893 -9.904 1.00 0.00 C ATOM 122 C GLU A 23 -7.868 0.152 -10.492 1.00 0.00 C ATOM 123 O GLU A 23 -6.914 0.565 -9.863 1.00 0.00 O ATOM 124 CB GLU A 23 -8.586 -2.215 -10.651 1.00 0.00 C ATOM 125 CG GLU A 23 -9.079 -3.365 -9.776 1.00 0.00 C ATOM 126 CD GLU A 23 -7.961 -3.791 -8.823 1.00 0.00 C ATOM 127 OE1 GLU A 23 -6.970 -3.079 -8.796 1.00 0.00 O ATOM 128 OE2 GLU A 23 -8.161 -4.804 -8.173 1.00 0.00 O ATOM 0 H GLU A 23 -10.839 -1.198 -10.433 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.579 -1.005 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.127 -2.204 -11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.531 -2.348 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.957 -3.055 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.382 -4.207 -10.399 1.00 0.00 H new ATOM 135 N ILE A 24 -8.159 0.560 -11.694 1.00 0.00 N ATOM 136 CA ILE A 24 -7.300 1.581 -12.339 1.00 0.00 C ATOM 137 C ILE A 24 -7.225 2.833 -11.484 1.00 0.00 C ATOM 138 O ILE A 24 -6.170 3.414 -11.321 1.00 0.00 O ATOM 139 CB ILE A 24 -7.909 1.946 -13.694 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.332 0.681 -14.429 1.00 0.00 C ATOM 141 CG2 ILE A 24 -6.845 2.674 -14.536 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.152 -0.293 -14.483 1.00 0.00 C ATOM 0 H ILE A 24 -8.948 0.232 -12.251 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.295 1.176 -12.461 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.778 2.585 -13.540 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.178 0.217 -13.921 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.662 0.927 -15.438 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.267 2.940 -15.505 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.528 3.579 -14.018 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.986 2.019 -14.682 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.452 -1.199 -15.009 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.319 0.173 -15.010 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.843 -0.547 -13.469 1.00 0.00 H new ATOM 154 N GLU A 25 -8.347 3.232 -10.950 1.00 0.00 N ATOM 155 CA GLU A 25 -8.349 4.446 -10.104 1.00 0.00 C ATOM 156 C GLU A 25 -7.591 4.192 -8.812 1.00 0.00 C ATOM 157 O GLU A 25 -6.748 4.975 -8.419 1.00 0.00 O ATOM 158 CB GLU A 25 -9.805 4.804 -9.765 1.00 0.00 C ATOM 159 CG GLU A 25 -10.574 5.069 -11.062 1.00 0.00 C ATOM 160 CD GLU A 25 -10.221 6.465 -11.582 1.00 0.00 C ATOM 161 OE1 GLU A 25 -10.871 7.392 -11.127 1.00 0.00 O ATOM 162 OE2 GLU A 25 -9.323 6.524 -12.406 1.00 0.00 O ATOM 0 H GLU A 25 -9.250 2.772 -11.064 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.866 5.261 -10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.273 3.990 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.836 5.685 -9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.322 4.316 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.647 4.995 -10.884 1.00 0.00 H new ATOM 169 N GLU A 26 -7.899 3.098 -8.171 1.00 0.00 N ATOM 170 CA GLU A 26 -7.199 2.785 -6.907 1.00 0.00 C ATOM 171 C GLU A 26 -5.708 2.649 -7.154 1.00 0.00 C ATOM 172 O GLU A 26 -4.902 3.015 -6.321 1.00 0.00 O ATOM 173 CB GLU A 26 -7.737 1.453 -6.364 1.00 0.00 C ATOM 174 CG GLU A 26 -6.990 1.097 -5.077 1.00 0.00 C ATOM 175 CD GLU A 26 -6.945 2.321 -4.158 1.00 0.00 C ATOM 176 OE1 GLU A 26 -8.003 2.901 -3.976 1.00 0.00 O ATOM 177 OE2 GLU A 26 -5.854 2.607 -3.690 1.00 0.00 O ATOM 0 H GLU A 26 -8.598 2.418 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.370 3.589 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.806 1.532 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.606 0.665 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.487 0.268 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.978 0.767 -5.311 1.00 0.00 H new ATOM 184 N LEU A 27 -5.362 2.121 -8.298 1.00 0.00 N ATOM 185 CA LEU A 27 -3.927 1.958 -8.611 1.00 0.00 C ATOM 186 C LEU A 27 -3.263 3.312 -8.699 1.00 0.00 C ATOM 187 O LEU A 27 -2.275 3.570 -8.040 1.00 0.00 O ATOM 188 CB LEU A 27 -3.804 1.269 -9.971 1.00 0.00 C ATOM 189 CG LEU A 27 -3.749 -0.238 -9.767 1.00 0.00 C ATOM 190 CD1 LEU A 27 -4.295 -0.919 -11.016 1.00 0.00 C ATOM 191 CD2 LEU A 27 -2.294 -0.664 -9.551 1.00 0.00 C ATOM 0 H LEU A 27 -6.009 1.801 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.448 1.367 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.653 1.531 -10.603 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.906 1.611 -10.485 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.343 -0.522 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.262 -2.001 -10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.326 -0.605 -11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.688 -0.639 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.249 -1.743 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.702 -0.391 -10.424 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.895 -0.161 -8.670 1.00 0.00 H new ATOM 203 N ARG A 28 -3.820 4.157 -9.518 1.00 0.00 N ATOM 204 CA ARG A 28 -3.239 5.508 -9.668 1.00 0.00 C ATOM 205 C ARG A 28 -2.913 6.090 -8.302 1.00 0.00 C ATOM 206 O ARG A 28 -1.877 6.697 -8.116 1.00 0.00 O ATOM 207 CB ARG A 28 -4.277 6.408 -10.370 1.00 0.00 C ATOM 208 CG ARG A 28 -3.567 7.395 -11.310 1.00 0.00 C ATOM 209 CD ARG A 28 -3.143 8.630 -10.514 1.00 0.00 C ATOM 210 NE ARG A 28 -4.362 9.300 -9.975 1.00 0.00 N ATOM 211 CZ ARG A 28 -4.323 9.841 -8.788 1.00 0.00 C ATOM 212 NH1 ARG A 28 -4.366 9.065 -7.742 1.00 0.00 N ATOM 213 NH2 ARG A 28 -4.242 11.141 -8.689 1.00 0.00 N ATOM 0 H ARG A 28 -4.647 3.968 -10.085 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.322 5.452 -10.255 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.979 5.795 -10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.858 6.954 -9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.695 6.922 -11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.232 7.683 -12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.479 8.343 -9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.586 9.317 -11.152 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.218 9.335 -10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.429 8.054 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.337 9.469 -6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.210 11.716 -9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.210 11.581 -7.770 1.00 0.00 H new ATOM 227 N GLU A 29 -3.803 5.893 -7.368 1.00 0.00 N ATOM 228 CA GLU A 29 -3.552 6.430 -6.014 1.00 0.00 C ATOM 229 C GLU A 29 -2.377 5.707 -5.383 1.00 0.00 C ATOM 230 O GLU A 29 -1.550 6.309 -4.725 1.00 0.00 O ATOM 231 CB GLU A 29 -4.804 6.198 -5.158 1.00 0.00 C ATOM 232 CG GLU A 29 -5.901 7.168 -5.605 1.00 0.00 C ATOM 233 CD GLU A 29 -6.963 7.277 -4.510 1.00 0.00 C ATOM 234 OE1 GLU A 29 -6.554 7.326 -3.362 1.00 0.00 O ATOM 235 OE2 GLU A 29 -8.124 7.307 -4.883 1.00 0.00 O ATOM 0 H GLU A 29 -4.681 5.389 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.325 7.494 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.146 5.168 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.573 6.351 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.472 8.149 -5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.354 6.818 -6.533 1.00 0.00 H new ATOM 242 N ALA A 30 -2.325 4.420 -5.591 1.00 0.00 N ATOM 243 CA ALA A 30 -1.213 3.635 -5.014 1.00 0.00 C ATOM 244 C ALA A 30 0.102 4.047 -5.664 1.00 0.00 C ATOM 245 O ALA A 30 1.065 4.350 -4.988 1.00 0.00 O ATOM 246 CB ALA A 30 -1.469 2.147 -5.298 1.00 0.00 C ATOM 0 H ALA A 30 -3.004 3.886 -6.134 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.153 3.814 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.658 1.552 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.412 1.847 -4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.519 1.985 -6.375 1.00 0.00 H new ATOM 252 N PHE A 31 0.117 4.054 -6.973 1.00 0.00 N ATOM 253 CA PHE A 31 1.358 4.444 -7.684 1.00 0.00 C ATOM 254 C PHE A 31 1.844 5.775 -7.158 1.00 0.00 C ATOM 255 O PHE A 31 3.032 6.025 -7.056 1.00 0.00 O ATOM 256 CB PHE A 31 1.015 4.606 -9.177 1.00 0.00 C ATOM 257 CG PHE A 31 2.291 4.854 -9.984 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.972 6.056 -9.883 1.00 0.00 C ATOM 259 CD2 PHE A 31 2.769 3.885 -10.840 1.00 0.00 C ATOM 260 CE1 PHE A 31 4.111 6.274 -10.632 1.00 0.00 C ATOM 261 CE2 PHE A 31 3.905 4.106 -11.584 1.00 0.00 C ATOM 262 CZ PHE A 31 4.573 5.296 -11.480 1.00 0.00 C ATOM 0 H PHE A 31 -0.672 3.808 -7.570 1.00 0.00 H new ATOM 0 HA PHE A 31 2.130 3.689 -7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.512 3.710 -9.542 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.323 5.437 -9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.611 6.825 -9.216 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.247 2.944 -10.927 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.639 7.213 -10.552 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.270 3.339 -12.251 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.465 5.467 -12.065 1.00 0.00 H new ATOM 272 N ARG A 32 0.906 6.600 -6.818 1.00 0.00 N ATOM 273 CA ARG A 32 1.264 7.942 -6.288 1.00 0.00 C ATOM 274 C ARG A 32 1.624 7.876 -4.812 1.00 0.00 C ATOM 275 O ARG A 32 2.707 8.260 -4.420 1.00 0.00 O ATOM 276 CB ARG A 32 0.055 8.867 -6.450 1.00 0.00 C ATOM 277 CG ARG A 32 -0.155 9.165 -7.936 1.00 0.00 C ATOM 278 CD ARG A 32 0.926 10.139 -8.410 1.00 0.00 C ATOM 279 NE ARG A 32 0.403 10.915 -9.569 1.00 0.00 N ATOM 280 CZ ARG A 32 1.237 11.566 -10.331 1.00 0.00 C ATOM 281 NH1 ARG A 32 2.450 11.779 -9.900 1.00 0.00 N ATOM 282 NH2 ARG A 32 0.831 11.984 -11.499 1.00 0.00 N ATOM 0 H ARG A 32 -0.094 6.408 -6.882 1.00 0.00 H new ATOM 0 HA ARG A 32 2.127 8.314 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.835 8.398 -6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.215 9.794 -5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.109 8.242 -8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.144 9.594 -8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.207 10.813 -7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.825 9.594 -8.697 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.598 10.937 -9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.732 11.438 -8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.116 12.286 -10.482 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.125 11.800 -11.802 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.470 12.495 -12.108 1.00 0.00 H new ATOM 296 N GLU A 33 0.703 7.400 -4.014 1.00 0.00 N ATOM 297 CA GLU A 33 0.985 7.304 -2.563 1.00 0.00 C ATOM 298 C GLU A 33 2.374 6.733 -2.334 1.00 0.00 C ATOM 299 O GLU A 33 2.938 6.871 -1.266 1.00 0.00 O ATOM 300 CB GLU A 33 -0.051 6.365 -1.925 1.00 0.00 C ATOM 301 CG GLU A 33 0.437 5.947 -0.538 1.00 0.00 C ATOM 302 CD GLU A 33 0.833 7.194 0.256 1.00 0.00 C ATOM 303 OE1 GLU A 33 0.094 8.158 0.152 1.00 0.00 O ATOM 304 OE2 GLU A 33 1.853 7.112 0.920 1.00 0.00 O ATOM 0 H GLU A 33 -0.220 7.079 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 33 0.931 8.297 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.016 6.867 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.198 5.486 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.347 5.401 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.289 5.273 -0.627 1.00 0.00 H new ATOM 311 N PHE A 34 2.895 6.100 -3.356 1.00 0.00 N ATOM 312 CA PHE A 34 4.247 5.502 -3.251 1.00 0.00 C ATOM 313 C PHE A 34 5.261 6.317 -4.051 1.00 0.00 C ATOM 314 O PHE A 34 6.450 6.223 -3.824 1.00 0.00 O ATOM 315 CB PHE A 34 4.190 4.081 -3.835 1.00 0.00 C ATOM 316 CG PHE A 34 3.671 3.109 -2.769 1.00 0.00 C ATOM 317 CD1 PHE A 34 4.338 2.962 -1.565 1.00 0.00 C ATOM 318 CD2 PHE A 34 2.530 2.358 -3.000 1.00 0.00 C ATOM 319 CE1 PHE A 34 3.872 2.082 -0.610 1.00 0.00 C ATOM 320 CE2 PHE A 34 2.067 1.478 -2.042 1.00 0.00 C ATOM 321 CZ PHE A 34 2.738 1.341 -0.850 1.00 0.00 C ATOM 0 H PHE A 34 2.435 5.975 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 34 4.553 5.488 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.538 4.061 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.181 3.774 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.229 3.540 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.999 2.461 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.398 1.975 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.176 0.896 -2.229 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.375 0.652 -0.102 1.00 0.00 H new ATOM 331 N ASP A 35 4.772 7.102 -4.981 1.00 0.00 N ATOM 332 CA ASP A 35 5.700 7.924 -5.801 1.00 0.00 C ATOM 333 C ASP A 35 6.408 8.971 -4.945 1.00 0.00 C ATOM 334 O ASP A 35 7.261 8.644 -4.143 1.00 0.00 O ATOM 335 CB ASP A 35 4.884 8.645 -6.885 1.00 0.00 C ATOM 336 CG ASP A 35 5.806 9.564 -7.687 1.00 0.00 C ATOM 337 OD1 ASP A 35 6.575 9.017 -8.462 1.00 0.00 O ATOM 338 OD2 ASP A 35 5.691 10.760 -7.481 1.00 0.00 O ATOM 0 H ASP A 35 3.782 7.205 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 35 6.451 7.270 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.413 7.917 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.083 9.225 -6.427 1.00 0.00 H new ATOM 343 N LYS A 36 6.042 10.213 -5.134 1.00 0.00 N ATOM 344 CA LYS A 36 6.682 11.296 -4.340 1.00 0.00 C ATOM 345 C LYS A 36 8.198 11.229 -4.450 1.00 0.00 C ATOM 346 O LYS A 36 8.904 12.009 -3.841 1.00 0.00 O ATOM 347 CB LYS A 36 6.283 11.116 -2.871 1.00 0.00 C ATOM 348 CG LYS A 36 4.764 10.966 -2.785 1.00 0.00 C ATOM 349 CD LYS A 36 4.235 11.868 -1.670 1.00 0.00 C ATOM 350 CE LYS A 36 4.170 13.308 -2.182 1.00 0.00 C ATOM 351 NZ LYS A 36 3.263 13.403 -3.362 1.00 0.00 N ATOM 0 H LYS A 36 5.332 10.519 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 36 6.350 12.261 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.773 10.237 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.611 11.974 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.305 11.235 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.499 9.928 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.246 11.536 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.885 11.808 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.815 13.966 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.169 13.648 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.854 14.358 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.803 13.214 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.499 12.704 -3.270 1.00 0.00 H new ATOM 365 N ASP A 37 8.672 10.297 -5.225 1.00 0.00 N ATOM 366 CA ASP A 37 10.140 10.164 -5.389 1.00 0.00 C ATOM 367 C ASP A 37 10.663 11.203 -6.371 1.00 0.00 C ATOM 368 O ASP A 37 11.825 11.203 -6.724 1.00 0.00 O ATOM 369 CB ASP A 37 10.436 8.763 -5.945 1.00 0.00 C ATOM 370 CG ASP A 37 9.545 8.509 -7.161 1.00 0.00 C ATOM 371 OD1 ASP A 37 8.916 9.467 -7.579 1.00 0.00 O ATOM 372 OD2 ASP A 37 9.542 7.372 -7.602 1.00 0.00 O ATOM 0 H ASP A 37 8.109 9.626 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 37 10.627 10.314 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.486 8.684 -6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.253 8.008 -5.180 1.00 0.00 H new ATOM 377 N LYS A 38 9.789 12.075 -6.792 1.00 0.00 N ATOM 378 CA LYS A 38 10.204 13.127 -7.752 1.00 0.00 C ATOM 379 C LYS A 38 10.983 12.531 -8.921 1.00 0.00 C ATOM 380 O LYS A 38 12.131 12.863 -9.139 1.00 0.00 O ATOM 381 CB LYS A 38 11.109 14.125 -7.018 1.00 0.00 C ATOM 382 CG LYS A 38 10.379 14.648 -5.779 1.00 0.00 C ATOM 383 CD LYS A 38 11.355 15.465 -4.934 1.00 0.00 C ATOM 384 CE LYS A 38 11.769 16.713 -5.714 1.00 0.00 C ATOM 385 NZ LYS A 38 13.057 16.482 -6.426 1.00 0.00 N ATOM 0 H LYS A 38 8.809 12.102 -6.512 1.00 0.00 H new ATOM 0 HA LYS A 38 9.312 13.616 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.043 13.643 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.369 14.952 -7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.530 15.264 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.982 13.816 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.889 15.749 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.232 14.866 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.992 16.974 -6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.870 17.558 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.792 17.097 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.340 15.487 -6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.939 16.700 -7.436 1.00 0.00 H new ATOM 399 N ASP A 39 10.346 11.661 -9.653 1.00 0.00 N ATOM 400 CA ASP A 39 11.036 11.041 -10.806 1.00 0.00 C ATOM 401 C ASP A 39 10.030 10.693 -11.898 1.00 0.00 C ATOM 402 O ASP A 39 10.389 10.515 -13.045 1.00 0.00 O ATOM 403 CB ASP A 39 11.732 9.753 -10.323 1.00 0.00 C ATOM 404 CG ASP A 39 11.805 8.749 -11.473 1.00 0.00 C ATOM 405 OD1 ASP A 39 10.756 8.224 -11.790 1.00 0.00 O ATOM 406 OD2 ASP A 39 12.906 8.568 -11.968 1.00 0.00 O ATOM 0 H ASP A 39 9.384 11.357 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 39 11.767 11.739 -11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.735 9.982 -9.963 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.183 9.323 -9.485 1.00 0.00 H new ATOM 411 N GLY A 40 8.786 10.599 -11.517 1.00 0.00 N ATOM 412 CA GLY A 40 7.733 10.265 -12.516 1.00 0.00 C ATOM 413 C GLY A 40 7.650 8.752 -12.741 1.00 0.00 C ATOM 414 O GLY A 40 6.869 8.288 -13.546 1.00 0.00 O ATOM 0 H GLY A 40 8.454 10.738 -10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.769 10.639 -12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.950 10.765 -13.460 1.00 0.00 H new ATOM 418 N TYR A 41 8.450 8.013 -12.023 1.00 0.00 N ATOM 419 CA TYR A 41 8.415 6.537 -12.195 1.00 0.00 C ATOM 420 C TYR A 41 8.773 5.826 -10.893 1.00 0.00 C ATOM 421 O TYR A 41 9.583 6.308 -10.125 1.00 0.00 O ATOM 422 CB TYR A 41 9.432 6.150 -13.282 1.00 0.00 C ATOM 423 CG TYR A 41 9.170 6.986 -14.540 1.00 0.00 C ATOM 424 CD1 TYR A 41 8.072 6.727 -15.337 1.00 0.00 C ATOM 425 CD2 TYR A 41 10.028 8.007 -14.896 1.00 0.00 C ATOM 426 CE1 TYR A 41 7.838 7.478 -16.472 1.00 0.00 C ATOM 427 CE2 TYR A 41 9.794 8.757 -16.029 1.00 0.00 C ATOM 428 CZ TYR A 41 8.697 8.499 -16.826 1.00 0.00 C ATOM 429 OH TYR A 41 8.463 9.249 -17.960 1.00 0.00 O ATOM 0 H TYR A 41 9.117 8.362 -11.335 1.00 0.00 H new ATOM 0 HA TYR A 41 7.408 6.235 -12.482 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.447 6.319 -12.923 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.349 5.088 -13.513 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.392 5.932 -15.071 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.890 8.220 -14.282 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.976 7.265 -17.087 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.474 9.553 -16.295 1.00 0.00 H new ATOM 0 HH TYR A 41 9.166 9.925 -18.056 1.00 0.00 H new ATOM 439 N ILE A 42 8.162 4.686 -10.663 1.00 0.00 N ATOM 440 CA ILE A 42 8.465 3.942 -9.411 1.00 0.00 C ATOM 441 C ILE A 42 9.577 2.931 -9.622 1.00 0.00 C ATOM 442 O ILE A 42 9.700 2.348 -10.680 1.00 0.00 O ATOM 443 CB ILE A 42 7.214 3.187 -8.960 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.512 2.588 -10.156 1.00 0.00 C ATOM 445 CG2 ILE A 42 6.257 4.168 -8.276 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.392 1.664 -9.670 1.00 0.00 C ATOM 0 H ILE A 42 7.478 4.249 -11.281 1.00 0.00 H new ATOM 0 HA ILE A 42 8.782 4.665 -8.659 1.00 0.00 H new ATOM 0 HB ILE A 42 7.506 2.394 -8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.101 3.378 -10.785 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.221 2.030 -10.767 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.362 3.637 -7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.749 4.613 -7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.978 4.954 -8.978 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.881 1.228 -10.529 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.817 0.868 -9.058 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.680 2.237 -9.076 1.00 0.00 H new ATOM 458 N ASN A 43 10.369 2.742 -8.604 1.00 0.00 N ATOM 459 CA ASN A 43 11.482 1.773 -8.715 1.00 0.00 C ATOM 460 C ASN A 43 11.024 0.399 -8.253 1.00 0.00 C ATOM 461 O ASN A 43 10.187 0.287 -7.384 1.00 0.00 O ATOM 462 CB ASN A 43 12.627 2.240 -7.804 1.00 0.00 C ATOM 463 CG ASN A 43 13.407 3.356 -8.498 1.00 0.00 C ATOM 464 OD1 ASN A 43 12.978 4.491 -8.546 1.00 0.00 O ATOM 465 ND2 ASN A 43 14.558 3.077 -9.047 1.00 0.00 N ATOM 0 H ASN A 43 10.290 3.217 -7.705 1.00 0.00 H new ATOM 0 HA ASN A 43 11.811 1.714 -9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.228 2.597 -6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.290 1.405 -7.578 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.092 3.811 -9.513 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.923 2.125 -9.010 1.00 0.00 H new ATOM 472 N CYS A 44 11.577 -0.622 -8.842 1.00 0.00 N ATOM 473 CA CYS A 44 11.179 -1.995 -8.442 1.00 0.00 C ATOM 474 C CYS A 44 11.197 -2.142 -6.926 1.00 0.00 C ATOM 475 O CYS A 44 10.740 -3.130 -6.391 1.00 0.00 O ATOM 476 CB CYS A 44 12.181 -2.983 -9.049 1.00 0.00 C ATOM 477 SG CYS A 44 13.879 -2.927 -8.426 1.00 0.00 S ATOM 0 H CYS A 44 12.282 -0.565 -9.577 1.00 0.00 H new ATOM 0 HA CYS A 44 10.168 -2.194 -8.799 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.797 -3.991 -8.894 1.00 0.00 H new ATOM 0 HB3 CYS A 44 12.211 -2.815 -10.126 1.00 0.00 H new ATOM 0 HG CYS A 44 14.595 -3.823 -9.038 1.00 0.00 H new ATOM 483 N ARG A 45 11.742 -1.164 -6.261 1.00 0.00 N ATOM 484 CA ARG A 45 11.793 -1.235 -4.785 1.00 0.00 C ATOM 485 C ARG A 45 10.455 -0.826 -4.216 1.00 0.00 C ATOM 486 O ARG A 45 9.843 -1.565 -3.472 1.00 0.00 O ATOM 487 CB ARG A 45 12.879 -0.271 -4.286 1.00 0.00 C ATOM 488 CG ARG A 45 14.201 -1.029 -4.162 1.00 0.00 C ATOM 489 CD ARG A 45 15.307 -0.052 -3.768 1.00 0.00 C ATOM 490 NE ARG A 45 16.466 -0.823 -3.241 1.00 0.00 N ATOM 491 CZ ARG A 45 17.228 -1.481 -4.071 1.00 0.00 C ATOM 492 NH1 ARG A 45 17.256 -1.116 -5.324 1.00 0.00 N ATOM 493 NH2 ARG A 45 17.934 -2.482 -3.622 1.00 0.00 N ATOM 0 H ARG A 45 12.150 -0.326 -6.676 1.00 0.00 H new ATOM 0 HA ARG A 45 12.022 -2.252 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.988 0.564 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.595 0.149 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.113 -1.817 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.447 -1.512 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.610 0.542 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.943 0.645 -3.013 1.00 0.00 H new ATOM 0 HE ARG A 45 16.663 -0.837 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.689 -0.329 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.845 -1.618 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.885 -2.739 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.535 -3.007 -4.257 1.00 0.00 H new ATOM 507 N ASP A 46 10.012 0.349 -4.572 1.00 0.00 N ATOM 508 CA ASP A 46 8.713 0.796 -4.051 1.00 0.00 C ATOM 509 C ASP A 46 7.691 -0.296 -4.293 1.00 0.00 C ATOM 510 O ASP A 46 6.861 -0.575 -3.457 1.00 0.00 O ATOM 511 CB ASP A 46 8.289 2.064 -4.805 1.00 0.00 C ATOM 512 CG ASP A 46 9.092 3.255 -4.278 1.00 0.00 C ATOM 513 OD1 ASP A 46 8.984 3.493 -3.087 1.00 0.00 O ATOM 514 OD2 ASP A 46 9.764 3.860 -5.097 1.00 0.00 O ATOM 0 H ASP A 46 10.492 1.002 -5.192 1.00 0.00 H new ATOM 0 HA ASP A 46 8.784 1.007 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.460 1.940 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.222 2.242 -4.671 1.00 0.00 H new ATOM 519 N LEU A 47 7.774 -0.899 -5.449 1.00 0.00 N ATOM 520 CA LEU A 47 6.825 -1.979 -5.775 1.00 0.00 C ATOM 521 C LEU A 47 6.666 -2.908 -4.606 1.00 0.00 C ATOM 522 O LEU A 47 5.595 -3.082 -4.105 1.00 0.00 O ATOM 523 CB LEU A 47 7.399 -2.794 -6.922 1.00 0.00 C ATOM 524 CG LEU A 47 6.959 -2.207 -8.240 1.00 0.00 C ATOM 525 CD1 LEU A 47 5.515 -2.574 -8.503 1.00 0.00 C ATOM 526 CD2 LEU A 47 7.093 -0.687 -8.206 1.00 0.00 C ATOM 0 H LEU A 47 8.459 -0.685 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 47 5.863 -1.535 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.487 -2.804 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.066 -3.829 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 47 7.591 -2.607 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.199 -2.149 -9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.416 -3.659 -8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.888 -2.179 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.773 -0.272 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.469 -0.284 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.133 -0.417 -8.023 1.00 0.00 H new ATOM 538 N GLY A 48 7.757 -3.513 -4.220 1.00 0.00 N ATOM 539 CA GLY A 48 7.714 -4.462 -3.064 1.00 0.00 C ATOM 540 C GLY A 48 6.703 -3.979 -2.040 1.00 0.00 C ATOM 541 O GLY A 48 5.945 -4.757 -1.488 1.00 0.00 O ATOM 0 H GLY A 48 8.674 -3.394 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.446 -5.460 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.701 -4.538 -2.607 1.00 0.00 H new ATOM 545 N ASN A 49 6.702 -2.699 -1.814 1.00 0.00 N ATOM 546 CA ASN A 49 5.745 -2.146 -0.832 1.00 0.00 C ATOM 547 C ASN A 49 4.378 -1.953 -1.485 1.00 0.00 C ATOM 548 O ASN A 49 3.355 -2.146 -0.854 1.00 0.00 O ATOM 549 CB ASN A 49 6.264 -0.787 -0.333 1.00 0.00 C ATOM 550 CG ASN A 49 7.384 -1.012 0.685 1.00 0.00 C ATOM 551 OD1 ASN A 49 7.714 -0.139 1.463 1.00 0.00 O ATOM 552 ND2 ASN A 49 7.995 -2.165 0.714 1.00 0.00 N ATOM 0 H ASN A 49 7.317 -2.020 -2.263 1.00 0.00 H new ATOM 0 HA ASN A 49 5.647 -2.839 0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.633 -0.196 -1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.452 -0.221 0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.744 -2.328 1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.723 -2.903 0.064 1.00 0.00 H new ATOM 559 N CYS A 50 4.378 -1.586 -2.749 1.00 0.00 N ATOM 560 CA CYS A 50 3.084 -1.386 -3.435 1.00 0.00 C ATOM 561 C CYS A 50 2.469 -2.732 -3.786 1.00 0.00 C ATOM 562 O CYS A 50 1.266 -2.891 -3.785 1.00 0.00 O ATOM 563 CB CYS A 50 3.334 -0.601 -4.729 1.00 0.00 C ATOM 564 SG CYS A 50 1.903 0.193 -5.499 1.00 0.00 S ATOM 0 H CYS A 50 5.210 -1.422 -3.316 1.00 0.00 H new ATOM 0 HA CYS A 50 2.404 -0.841 -2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.076 0.169 -4.520 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.776 -1.281 -5.457 1.00 0.00 H new ATOM 0 HG CYS A 50 1.857 -0.124 -6.759 1.00 0.00 H new ATOM 570 N MET A 51 3.318 -3.679 -4.080 1.00 0.00 N ATOM 571 CA MET A 51 2.828 -5.024 -4.432 1.00 0.00 C ATOM 572 C MET A 51 2.197 -5.679 -3.217 1.00 0.00 C ATOM 573 O MET A 51 1.190 -6.342 -3.321 1.00 0.00 O ATOM 574 CB MET A 51 4.031 -5.878 -4.892 1.00 0.00 C ATOM 575 CG MET A 51 4.637 -5.277 -6.168 1.00 0.00 C ATOM 576 SD MET A 51 3.671 -5.411 -7.692 1.00 0.00 S ATOM 577 CE MET A 51 4.047 -7.146 -8.035 1.00 0.00 C ATOM 0 H MET A 51 4.332 -3.570 -4.089 1.00 0.00 H new ATOM 0 HA MET A 51 2.084 -4.947 -5.225 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.783 -5.917 -4.104 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.711 -6.903 -5.078 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.830 -4.220 -5.984 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.603 -5.753 -6.339 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.618 -7.428 -8.997 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.128 -7.285 -8.065 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.622 -7.772 -7.251 1.00 0.00 H new ATOM 587 N ARG A 52 2.806 -5.485 -2.080 1.00 0.00 N ATOM 588 CA ARG A 52 2.249 -6.090 -0.851 1.00 0.00 C ATOM 589 C ARG A 52 1.017 -5.322 -0.394 1.00 0.00 C ATOM 590 O ARG A 52 0.183 -5.845 0.317 1.00 0.00 O ATOM 591 CB ARG A 52 3.313 -6.008 0.251 1.00 0.00 C ATOM 592 CG ARG A 52 4.258 -7.205 0.129 1.00 0.00 C ATOM 593 CD ARG A 52 5.313 -7.120 1.233 1.00 0.00 C ATOM 594 NE ARG A 52 4.626 -6.969 2.547 1.00 0.00 N ATOM 595 CZ ARG A 52 5.114 -7.569 3.597 1.00 0.00 C ATOM 596 NH1 ARG A 52 5.491 -8.814 3.493 1.00 0.00 N ATOM 597 NH2 ARG A 52 5.209 -6.903 4.715 1.00 0.00 N ATOM 0 H ARG A 52 3.658 -4.938 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 52 1.970 -7.124 -1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.873 -5.077 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.838 -6.003 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.699 -8.137 0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.737 -7.209 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.932 -8.017 1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.977 -6.274 1.055 1.00 0.00 H new ATOM 0 HE ARG A 52 3.782 -6.402 2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.402 -9.301 2.601 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.875 -9.300 4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.904 -5.931 4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.588 -7.355 5.547 1.00 0.00 H new ATOM 611 N THR A 53 0.925 -4.088 -0.815 1.00 0.00 N ATOM 612 CA THR A 53 -0.241 -3.267 -0.418 1.00 0.00 C ATOM 613 C THR A 53 -1.507 -3.673 -1.166 1.00 0.00 C ATOM 614 O THR A 53 -2.581 -3.678 -0.597 1.00 0.00 O ATOM 615 CB THR A 53 0.076 -1.800 -0.734 1.00 0.00 C ATOM 616 OG1 THR A 53 0.765 -1.313 0.400 1.00 0.00 O ATOM 617 CG2 THR A 53 -1.209 -0.962 -0.798 1.00 0.00 C ATOM 0 H THR A 53 1.606 -3.621 -1.413 1.00 0.00 H new ATOM 0 HA THR A 53 -0.422 -3.417 0.646 1.00 0.00 H new ATOM 0 HB THR A 53 0.619 -1.735 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.728 -1.456 0.284 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.957 0.074 -1.023 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.861 -1.355 -1.578 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.723 -1.010 0.162 1.00 0.00 H new ATOM 625 N MET A 54 -1.366 -4.003 -2.427 1.00 0.00 N ATOM 626 CA MET A 54 -2.566 -4.408 -3.210 1.00 0.00 C ATOM 627 C MET A 54 -2.232 -5.550 -4.159 1.00 0.00 C ATOM 628 O MET A 54 -2.939 -5.799 -5.117 1.00 0.00 O ATOM 629 CB MET A 54 -3.050 -3.190 -4.021 1.00 0.00 C ATOM 630 CG MET A 54 -4.292 -2.604 -3.345 1.00 0.00 C ATOM 631 SD MET A 54 -5.665 -3.735 -3.006 1.00 0.00 S ATOM 632 CE MET A 54 -6.318 -2.876 -1.552 1.00 0.00 C ATOM 0 H MET A 54 -0.484 -4.009 -2.939 1.00 0.00 H new ATOM 0 HA MET A 54 -3.344 -4.749 -2.527 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.262 -2.439 -4.078 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.282 -3.487 -5.044 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.982 -2.157 -2.400 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.668 -1.796 -3.972 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.187 -3.413 -1.172 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.551 -2.834 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.610 -1.863 -1.829 1.00 0.00 H new ATOM 642 N GLY A 55 -1.159 -6.231 -3.865 1.00 0.00 N ATOM 643 CA GLY A 55 -0.746 -7.368 -4.732 1.00 0.00 C ATOM 644 C GLY A 55 -0.225 -8.522 -3.876 1.00 0.00 C ATOM 645 O GLY A 55 0.396 -9.439 -4.382 1.00 0.00 O ATOM 0 H GLY A 55 -0.553 -6.050 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.592 -7.704 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.028 -7.043 -5.427 1.00 0.00 H new ATOM 649 N TYR A 56 -0.478 -8.445 -2.589 1.00 0.00 N ATOM 650 CA TYR A 56 -0.007 -9.528 -1.676 1.00 0.00 C ATOM 651 C TYR A 56 -0.143 -10.909 -2.327 1.00 0.00 C ATOM 652 O TYR A 56 -1.230 -11.337 -2.664 1.00 0.00 O ATOM 653 CB TYR A 56 -0.876 -9.493 -0.402 1.00 0.00 C ATOM 654 CG TYR A 56 -0.891 -10.882 0.245 1.00 0.00 C ATOM 655 CD1 TYR A 56 0.290 -11.497 0.610 1.00 0.00 C ATOM 656 CD2 TYR A 56 -2.084 -11.541 0.466 1.00 0.00 C ATOM 657 CE1 TYR A 56 0.277 -12.750 1.188 1.00 0.00 C ATOM 658 CE2 TYR A 56 -2.095 -12.794 1.043 1.00 0.00 C ATOM 659 CZ TYR A 56 -0.916 -13.408 1.408 1.00 0.00 C ATOM 660 OH TYR A 56 -0.927 -14.663 1.986 1.00 0.00 O ATOM 0 H TYR A 56 -0.986 -7.684 -2.138 1.00 0.00 H new ATOM 0 HA TYR A 56 1.046 -9.362 -1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.482 -8.758 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.892 -9.185 -0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.231 -10.994 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.015 -11.072 0.185 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.208 -13.219 1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.035 -13.298 1.210 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.852 -14.977 2.068 1.00 0.00 H new ATOM 670 N MET A 57 0.970 -11.580 -2.486 1.00 0.00 N ATOM 671 CA MET A 57 0.932 -12.926 -3.107 1.00 0.00 C ATOM 672 C MET A 57 2.347 -13.426 -3.491 1.00 0.00 C ATOM 673 O MET A 57 2.687 -14.562 -3.227 1.00 0.00 O ATOM 674 CB MET A 57 0.025 -12.873 -4.368 1.00 0.00 C ATOM 675 CG MET A 57 0.644 -13.713 -5.500 1.00 0.00 C ATOM 676 SD MET A 57 -0.407 -14.097 -6.921 1.00 0.00 S ATOM 677 CE MET A 57 -1.489 -15.285 -6.088 1.00 0.00 C ATOM 0 H MET A 57 1.896 -11.251 -2.212 1.00 0.00 H new ATOM 0 HA MET A 57 0.528 -13.630 -2.379 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.969 -13.250 -4.127 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.096 -11.840 -4.695 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.526 -13.188 -5.866 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.988 -14.654 -5.071 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.515 -16.215 -6.657 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.109 -15.483 -5.086 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.496 -14.874 -6.019 1.00 0.00 H new ATOM 687 N PRO A 58 3.149 -12.567 -4.112 1.00 0.00 N ATOM 688 CA PRO A 58 4.502 -12.954 -4.513 1.00 0.00 C ATOM 689 C PRO A 58 5.376 -13.274 -3.304 1.00 0.00 C ATOM 690 O PRO A 58 4.880 -13.471 -2.213 1.00 0.00 O ATOM 691 CB PRO A 58 5.069 -11.725 -5.252 1.00 0.00 C ATOM 692 CG PRO A 58 3.979 -10.612 -5.208 1.00 0.00 C ATOM 693 CD PRO A 58 2.770 -11.184 -4.449 1.00 0.00 C ATOM 0 HA PRO A 58 4.485 -13.851 -5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.988 -11.381 -4.777 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.318 -11.978 -6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.360 -9.721 -4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.693 -10.314 -6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.557 -10.603 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.871 -11.160 -5.064 1.00 0.00 H new ATOM 701 N THR A 59 6.666 -13.317 -3.524 1.00 0.00 N ATOM 702 CA THR A 59 7.592 -13.621 -2.402 1.00 0.00 C ATOM 703 C THR A 59 8.172 -12.342 -1.808 1.00 0.00 C ATOM 704 O THR A 59 7.556 -11.295 -1.861 1.00 0.00 O ATOM 705 CB THR A 59 8.739 -14.475 -2.945 1.00 0.00 C ATOM 706 OG1 THR A 59 9.579 -13.577 -3.642 1.00 0.00 O ATOM 707 CG2 THR A 59 8.231 -15.447 -4.020 1.00 0.00 C ATOM 0 H THR A 59 7.111 -13.155 -4.427 1.00 0.00 H new ATOM 0 HA THR A 59 7.042 -14.147 -1.621 1.00 0.00 H new ATOM 0 HB THR A 59 9.213 -15.021 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.031 -12.944 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.063 -16.045 -4.393 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.476 -16.105 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.793 -14.883 -4.843 1.00 0.00 H new ATOM 715 N GLU A 60 9.355 -12.459 -1.254 1.00 0.00 N ATOM 716 CA GLU A 60 10.012 -11.274 -0.642 1.00 0.00 C ATOM 717 C GLU A 60 11.168 -10.778 -1.508 1.00 0.00 C ATOM 718 O GLU A 60 11.723 -9.726 -1.262 1.00 0.00 O ATOM 719 CB GLU A 60 10.565 -11.702 0.735 1.00 0.00 C ATOM 720 CG GLU A 60 11.110 -10.479 1.487 1.00 0.00 C ATOM 721 CD GLU A 60 10.078 -9.350 1.452 1.00 0.00 C ATOM 722 OE1 GLU A 60 9.197 -9.397 2.296 1.00 0.00 O ATOM 723 OE2 GLU A 60 10.230 -8.506 0.586 1.00 0.00 O ATOM 0 H GLU A 60 9.889 -13.326 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 60 9.286 -10.466 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.778 -12.178 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.356 -12.441 0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.336 -10.746 2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.043 -10.146 1.032 1.00 0.00 H new ATOM 730 N MET A 61 11.507 -11.540 -2.514 1.00 0.00 N ATOM 731 CA MET A 61 12.623 -11.120 -3.396 1.00 0.00 C ATOM 732 C MET A 61 12.408 -11.595 -4.823 1.00 0.00 C ATOM 733 O MET A 61 13.081 -11.154 -5.731 1.00 0.00 O ATOM 734 CB MET A 61 13.911 -11.750 -2.863 1.00 0.00 C ATOM 735 CG MET A 61 13.562 -13.063 -2.167 1.00 0.00 C ATOM 736 SD MET A 61 12.748 -14.340 -3.156 1.00 0.00 S ATOM 737 CE MET A 61 12.084 -15.303 -1.773 1.00 0.00 C ATOM 0 H MET A 61 11.062 -12.425 -2.758 1.00 0.00 H new ATOM 0 HA MET A 61 12.679 -10.031 -3.400 1.00 0.00 H new ATOM 0 HB2 MET A 61 14.610 -11.930 -3.680 1.00 0.00 H new ATOM 0 HB3 MET A 61 14.403 -11.072 -2.166 1.00 0.00 H new ATOM 0 HG2 MET A 61 14.482 -13.485 -1.764 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.918 -12.833 -1.318 1.00 0.00 H new ATOM 0 HE1 MET A 61 11.375 -16.040 -2.150 1.00 0.00 H new ATOM 0 HE2 MET A 61 12.899 -15.813 -1.260 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.577 -14.636 -1.075 1.00 0.00 H new ATOM 747 N GLU A 62 11.484 -12.488 -5.002 1.00 0.00 N ATOM 748 CA GLU A 62 11.230 -12.985 -6.368 1.00 0.00 C ATOM 749 C GLU A 62 10.553 -11.911 -7.198 1.00 0.00 C ATOM 750 O GLU A 62 10.828 -11.763 -8.379 1.00 0.00 O ATOM 751 CB GLU A 62 10.314 -14.212 -6.284 1.00 0.00 C ATOM 752 CG GLU A 62 10.531 -15.087 -7.519 1.00 0.00 C ATOM 753 CD GLU A 62 11.813 -15.904 -7.340 1.00 0.00 C ATOM 754 OE1 GLU A 62 12.504 -15.621 -6.376 1.00 0.00 O ATOM 755 OE2 GLU A 62 12.028 -16.764 -8.179 1.00 0.00 O ATOM 0 H GLU A 62 10.901 -12.890 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 62 12.177 -13.251 -6.839 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.529 -14.780 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.272 -13.899 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.679 -15.752 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.604 -14.465 -8.411 1.00 0.00 H new ATOM 762 N LEU A 63 9.680 -11.167 -6.574 1.00 0.00 N ATOM 763 CA LEU A 63 8.994 -10.104 -7.333 1.00 0.00 C ATOM 764 C LEU A 63 10.035 -9.203 -7.957 1.00 0.00 C ATOM 765 O LEU A 63 9.840 -8.658 -9.026 1.00 0.00 O ATOM 766 CB LEU A 63 8.104 -9.285 -6.377 1.00 0.00 C ATOM 767 CG LEU A 63 8.975 -8.524 -5.372 1.00 0.00 C ATOM 768 CD1 LEU A 63 8.093 -7.564 -4.572 1.00 0.00 C ATOM 769 CD2 LEU A 63 9.630 -9.520 -4.415 1.00 0.00 C ATOM 0 H LEU A 63 9.421 -11.252 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 63 8.372 -10.543 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.494 -8.584 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.419 -9.947 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 63 9.746 -7.964 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.706 -7.019 -3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.615 -6.858 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.329 -8.130 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.251 -8.982 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.858 -10.074 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.250 -10.215 -4.981 1.00 0.00 H new ATOM 781 N ILE A 64 11.134 -9.066 -7.266 1.00 0.00 N ATOM 782 CA ILE A 64 12.212 -8.225 -7.769 1.00 0.00 C ATOM 783 C ILE A 64 12.722 -8.779 -9.092 1.00 0.00 C ATOM 784 O ILE A 64 12.991 -8.040 -10.017 1.00 0.00 O ATOM 785 CB ILE A 64 13.325 -8.241 -6.706 1.00 0.00 C ATOM 786 CG1 ILE A 64 13.609 -6.833 -6.260 1.00 0.00 C ATOM 787 CG2 ILE A 64 14.619 -8.850 -7.292 1.00 0.00 C ATOM 788 CD1 ILE A 64 12.368 -6.275 -5.562 1.00 0.00 C ATOM 0 H ILE A 64 11.316 -9.513 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 64 11.871 -7.205 -7.948 1.00 0.00 H new ATOM 0 HB ILE A 64 12.994 -8.845 -5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.462 -6.817 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.871 -6.212 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.397 -8.855 -6.529 1.00 0.00 H new ATOM 0 HG22 ILE A 64 14.425 -9.872 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.949 -8.254 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 64 12.563 -5.254 -5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 64 11.527 -6.279 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.128 -6.894 -4.697 1.00 0.00 H new ATOM 800 N GLU A 65 12.848 -10.080 -9.157 1.00 0.00 N ATOM 801 CA GLU A 65 13.335 -10.691 -10.410 1.00 0.00 C ATOM 802 C GLU A 65 12.425 -10.293 -11.556 1.00 0.00 C ATOM 803 O GLU A 65 12.866 -10.105 -12.672 1.00 0.00 O ATOM 804 CB GLU A 65 13.313 -12.219 -10.260 1.00 0.00 C ATOM 805 CG GLU A 65 14.092 -12.845 -11.421 1.00 0.00 C ATOM 806 CD GLU A 65 14.111 -14.366 -11.259 1.00 0.00 C ATOM 807 OE1 GLU A 65 13.049 -14.942 -11.432 1.00 0.00 O ATOM 808 OE2 GLU A 65 15.186 -14.868 -10.975 1.00 0.00 O ATOM 0 H GLU A 65 12.635 -10.731 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 65 14.349 -10.348 -10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.757 -12.510 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.285 -12.582 -10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.630 -12.575 -12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.111 -12.458 -11.441 1.00 0.00 H new ATOM 815 N LEU A 66 11.158 -10.180 -11.262 1.00 0.00 N ATOM 816 CA LEU A 66 10.203 -9.792 -12.326 1.00 0.00 C ATOM 817 C LEU A 66 10.414 -8.337 -12.695 1.00 0.00 C ATOM 818 O LEU A 66 10.602 -7.997 -13.855 1.00 0.00 O ATOM 819 CB LEU A 66 8.773 -9.973 -11.793 1.00 0.00 C ATOM 820 CG LEU A 66 8.206 -11.304 -12.298 1.00 0.00 C ATOM 821 CD1 LEU A 66 7.786 -11.150 -13.763 1.00 0.00 C ATOM 822 CD2 LEU A 66 9.282 -12.390 -12.191 1.00 0.00 C ATOM 0 H LEU A 66 10.751 -10.339 -10.340 1.00 0.00 H new ATOM 0 HA LEU A 66 10.360 -10.414 -13.207 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.774 -9.956 -10.703 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.143 -9.148 -12.124 1.00 0.00 H new ATOM 0 HG LEU A 66 7.343 -11.586 -11.695 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.382 -12.095 -14.127 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.024 -10.374 -13.844 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.653 -10.871 -14.363 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.880 -13.337 -12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.144 -12.109 -12.796 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.589 -12.497 -11.151 1.00 0.00 H new ATOM 834 N SER A 67 10.388 -7.496 -11.704 1.00 0.00 N ATOM 835 CA SER A 67 10.586 -6.066 -11.974 1.00 0.00 C ATOM 836 C SER A 67 11.978 -5.843 -12.529 1.00 0.00 C ATOM 837 O SER A 67 12.293 -4.788 -13.036 1.00 0.00 O ATOM 838 CB SER A 67 10.425 -5.303 -10.663 1.00 0.00 C ATOM 839 OG SER A 67 11.295 -5.976 -9.765 1.00 0.00 O ATOM 0 H SER A 67 10.238 -7.743 -10.726 1.00 0.00 H new ATOM 0 HA SER A 67 9.856 -5.715 -12.703 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.700 -4.254 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.393 -5.326 -10.312 1.00 0.00 H new ATOM 0 HG SER A 67 11.830 -6.632 -10.258 1.00 0.00 H new ATOM 845 N GLN A 68 12.795 -6.849 -12.400 1.00 0.00 N ATOM 846 CA GLN A 68 14.174 -6.740 -12.910 1.00 0.00 C ATOM 847 C GLN A 68 14.158 -7.142 -14.354 1.00 0.00 C ATOM 848 O GLN A 68 14.950 -6.678 -15.145 1.00 0.00 O ATOM 849 CB GLN A 68 15.076 -7.697 -12.118 1.00 0.00 C ATOM 850 CG GLN A 68 16.476 -7.699 -12.736 1.00 0.00 C ATOM 851 CD GLN A 68 16.890 -6.263 -13.075 1.00 0.00 C ATOM 852 OE1 GLN A 68 17.354 -5.980 -14.161 1.00 0.00 O ATOM 853 NE2 GLN A 68 16.744 -5.327 -12.174 1.00 0.00 N ATOM 0 H GLN A 68 12.561 -7.740 -11.962 1.00 0.00 H new ATOM 0 HA GLN A 68 14.552 -5.723 -12.803 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.127 -7.387 -11.074 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.658 -8.704 -12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.191 -8.140 -12.041 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.486 -8.313 -13.636 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.355 -5.556 -11.259 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.019 -4.368 -12.386 1.00 0.00 H new ATOM 862 N GLN A 69 13.240 -8.012 -14.681 1.00 0.00 N ATOM 863 CA GLN A 69 13.147 -8.458 -16.071 1.00 0.00 C ATOM 864 C GLN A 69 12.846 -7.251 -16.923 1.00 0.00 C ATOM 865 O GLN A 69 13.320 -7.131 -18.036 1.00 0.00 O ATOM 866 CB GLN A 69 11.996 -9.467 -16.192 1.00 0.00 C ATOM 867 CG GLN A 69 12.288 -10.433 -17.343 1.00 0.00 C ATOM 868 CD GLN A 69 11.281 -11.585 -17.296 1.00 0.00 C ATOM 869 OE1 GLN A 69 11.308 -12.483 -18.115 1.00 0.00 O ATOM 870 NE2 GLN A 69 10.378 -11.597 -16.353 1.00 0.00 N ATOM 0 H GLN A 69 12.561 -8.422 -14.039 1.00 0.00 H new ATOM 0 HA GLN A 69 14.076 -8.928 -16.392 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.882 -10.019 -15.259 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.056 -8.944 -16.370 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.219 -9.912 -18.298 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.304 -10.818 -17.262 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.351 -10.846 -15.663 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.700 -12.357 -16.306 1.00 0.00 H new ATOM 879 N ILE A 70 12.043 -6.363 -16.372 1.00 0.00 N ATOM 880 CA ILE A 70 11.688 -5.139 -17.124 1.00 0.00 C ATOM 881 C ILE A 70 12.933 -4.573 -17.778 1.00 0.00 C ATOM 882 O ILE A 70 12.873 -3.956 -18.822 1.00 0.00 O ATOM 883 CB ILE A 70 11.163 -4.102 -16.132 1.00 0.00 C ATOM 884 CG1 ILE A 70 9.724 -4.405 -15.761 1.00 0.00 C ATOM 885 CG2 ILE A 70 11.213 -2.720 -16.796 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.254 -3.366 -14.741 1.00 0.00 C ATOM 0 H ILE A 70 11.629 -6.443 -15.443 1.00 0.00 H new ATOM 0 HA ILE A 70 10.940 -5.373 -17.881 1.00 0.00 H new ATOM 0 HB ILE A 70 11.778 -4.126 -15.232 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.091 -4.378 -16.648 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.644 -5.409 -15.343 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.841 -1.968 -16.100 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.242 -2.484 -17.069 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.592 -2.724 -17.692 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.220 -3.570 -14.464 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.884 -3.417 -13.853 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.322 -2.370 -15.178 1.00 0.00 H new ATOM 898 N ASN A 71 14.046 -4.797 -17.136 1.00 0.00 N ATOM 899 CA ASN A 71 15.320 -4.292 -17.678 1.00 0.00 C ATOM 900 C ASN A 71 15.452 -4.646 -19.152 1.00 0.00 C ATOM 901 O ASN A 71 16.285 -4.107 -19.852 1.00 0.00 O ATOM 902 CB ASN A 71 16.464 -4.951 -16.888 1.00 0.00 C ATOM 903 CG ASN A 71 17.806 -4.569 -17.522 1.00 0.00 C ATOM 904 OD1 ASN A 71 18.557 -3.785 -16.979 1.00 0.00 O ATOM 905 ND2 ASN A 71 18.145 -5.100 -18.667 1.00 0.00 N ATOM 0 H ASN A 71 14.120 -5.310 -16.258 1.00 0.00 H new ATOM 0 HA ASN A 71 15.357 -3.207 -17.583 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.436 -4.628 -15.847 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.344 -6.034 -16.889 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.036 -4.855 -19.099 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.519 -5.760 -19.129 1.00 0.00 H new ATOM 912 N MET A 72 14.620 -5.546 -19.595 1.00 0.00 N ATOM 913 CA MET A 72 14.672 -5.952 -21.016 1.00 0.00 C ATOM 914 C MET A 72 13.779 -5.054 -21.859 1.00 0.00 C ATOM 915 O MET A 72 13.632 -5.260 -23.048 1.00 0.00 O ATOM 916 CB MET A 72 14.163 -7.399 -21.120 1.00 0.00 C ATOM 917 CG MET A 72 15.110 -8.323 -20.350 1.00 0.00 C ATOM 918 SD MET A 72 16.209 -9.380 -21.322 1.00 0.00 S ATOM 919 CE MET A 72 16.386 -10.704 -20.102 1.00 0.00 C ATOM 0 H MET A 72 13.910 -6.014 -19.032 1.00 0.00 H new ATOM 0 HA MET A 72 15.696 -5.870 -21.380 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.154 -7.472 -20.714 1.00 0.00 H new ATOM 0 HB3 MET A 72 14.109 -7.704 -22.165 1.00 0.00 H new ATOM 0 HG2 MET A 72 15.727 -7.706 -19.697 1.00 0.00 H new ATOM 0 HG3 MET A 72 14.507 -8.964 -19.707 1.00 0.00 H new ATOM 0 HE1 MET A 72 17.038 -11.481 -20.500 1.00 0.00 H new ATOM 0 HE2 MET A 72 16.820 -10.300 -19.187 1.00 0.00 H new ATOM 0 HE3 MET A 72 15.407 -11.130 -19.882 1.00 0.00 H new ATOM 929 N ASN A 73 13.199 -4.071 -21.220 1.00 0.00 N ATOM 930 CA ASN A 73 12.304 -3.136 -21.954 1.00 0.00 C ATOM 931 C ASN A 73 12.535 -1.702 -21.503 1.00 0.00 C ATOM 932 O ASN A 73 13.030 -0.884 -22.251 1.00 0.00 O ATOM 933 CB ASN A 73 10.849 -3.514 -21.640 1.00 0.00 C ATOM 934 CG ASN A 73 10.411 -4.658 -22.556 1.00 0.00 C ATOM 935 OD1 ASN A 73 11.144 -5.596 -22.791 1.00 0.00 O ATOM 936 ND2 ASN A 73 9.223 -4.620 -23.093 1.00 0.00 N ATOM 0 H ASN A 73 13.308 -3.878 -20.224 1.00 0.00 H new ATOM 0 HA ASN A 73 12.512 -3.209 -23.021 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.757 -3.814 -20.596 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.199 -2.651 -21.782 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.916 -5.375 -23.706 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.601 -3.835 -22.900 1.00 0.00 H new ATOM 943 N LEU A 74 12.170 -1.426 -20.283 1.00 0.00 N ATOM 944 CA LEU A 74 12.356 -0.055 -19.759 1.00 0.00 C ATOM 945 C LEU A 74 13.723 0.094 -19.103 1.00 0.00 C ATOM 946 O LEU A 74 14.644 0.616 -19.699 1.00 0.00 O ATOM 947 CB LEU A 74 11.265 0.210 -18.713 1.00 0.00 C ATOM 948 CG LEU A 74 9.921 0.376 -19.425 1.00 0.00 C ATOM 949 CD1 LEU A 74 8.789 0.076 -18.442 1.00 0.00 C ATOM 950 CD2 LEU A 74 9.789 1.816 -19.923 1.00 0.00 C ATOM 0 H LEU A 74 11.753 -2.091 -19.632 1.00 0.00 H new ATOM 0 HA LEU A 74 12.290 0.657 -20.582 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.215 -0.616 -18.003 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.502 1.108 -18.142 1.00 0.00 H new ATOM 0 HG LEU A 74 9.865 -0.311 -20.269 1.00 0.00 H new ATOM 0 HD11 LEU A 74 7.829 0.193 -18.945 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.885 -0.947 -18.078 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.844 0.767 -17.601 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.833 1.939 -20.431 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.840 2.500 -19.076 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.600 2.037 -20.617 1.00 0.00 H new ATOM 962 N GLY A 75 13.833 -0.367 -17.886 1.00 0.00 N ATOM 963 CA GLY A 75 15.145 -0.253 -17.181 1.00 0.00 C ATOM 964 C GLY A 75 14.955 -0.235 -15.659 1.00 0.00 C ATOM 965 O GLY A 75 15.400 0.678 -14.991 1.00 0.00 O ATOM 0 H GLY A 75 13.084 -0.811 -17.355 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.785 -1.090 -17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.654 0.658 -17.498 1.00 0.00 H new ATOM 969 N GLY A 76 14.302 -1.242 -15.139 1.00 0.00 N ATOM 970 CA GLY A 76 14.085 -1.282 -13.662 1.00 0.00 C ATOM 971 C GLY A 76 13.225 -0.097 -13.233 1.00 0.00 C ATOM 972 O GLY A 76 13.309 0.369 -12.113 1.00 0.00 O ATOM 0 H GLY A 76 13.915 -2.027 -15.663 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.598 -2.216 -13.382 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.043 -1.254 -13.144 1.00 0.00 H new ATOM 976 N HIS A 77 12.414 0.359 -14.141 1.00 0.00 N ATOM 977 CA HIS A 77 11.530 1.507 -13.837 1.00 0.00 C ATOM 978 C HIS A 77 10.191 1.303 -14.514 1.00 0.00 C ATOM 979 O HIS A 77 10.127 1.130 -15.715 1.00 0.00 O ATOM 980 CB HIS A 77 12.176 2.785 -14.388 1.00 0.00 C ATOM 981 CG HIS A 77 12.782 3.585 -13.234 1.00 0.00 C ATOM 982 ND1 HIS A 77 12.335 4.667 -12.807 1.00 0.00 N ATOM 983 CD2 HIS A 77 13.889 3.310 -12.452 1.00 0.00 C ATOM 984 CE1 HIS A 77 13.027 5.111 -11.843 1.00 0.00 C ATOM 985 NE2 HIS A 77 14.049 4.309 -11.540 1.00 0.00 N ATOM 0 H HIS A 77 12.327 -0.018 -15.085 1.00 0.00 H new ATOM 0 HA HIS A 77 11.387 1.589 -12.760 1.00 0.00 H new ATOM 0 HB2 HIS A 77 12.948 2.531 -15.114 1.00 0.00 H new ATOM 0 HB3 HIS A 77 11.432 3.386 -14.910 1.00 0.00 H new ATOM 0 HD1 HIS A 77 11.513 5.137 -13.187 1.00 0.00 H new ATOM 0 HD2 HIS A 77 14.525 2.442 -12.549 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.814 6.034 -11.325 1.00 0.00 H new ATOM 993 N VAL A 78 9.146 1.334 -13.732 1.00 0.00 N ATOM 994 CA VAL A 78 7.791 1.138 -14.309 1.00 0.00 C ATOM 995 C VAL A 78 6.967 2.416 -14.289 1.00 0.00 C ATOM 996 O VAL A 78 7.047 3.212 -13.369 1.00 0.00 O ATOM 997 CB VAL A 78 7.052 0.043 -13.469 1.00 0.00 C ATOM 998 CG1 VAL A 78 7.901 -0.356 -12.282 1.00 0.00 C ATOM 999 CG2 VAL A 78 5.705 0.573 -12.943 1.00 0.00 C ATOM 0 H VAL A 78 9.174 1.486 -12.724 1.00 0.00 H new ATOM 0 HA VAL A 78 7.904 0.835 -15.350 1.00 0.00 H new ATOM 0 HB VAL A 78 6.877 -0.815 -14.118 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.380 -1.118 -11.702 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.853 -0.754 -12.633 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.082 0.517 -11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.210 -0.205 -12.362 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.879 1.443 -12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.072 0.857 -13.784 1.00 0.00 H new ATOM 1009 N ASP A 79 6.202 2.577 -15.324 1.00 0.00 N ATOM 1010 CA ASP A 79 5.340 3.763 -15.442 1.00 0.00 C ATOM 1011 C ASP A 79 3.939 3.327 -15.082 1.00 0.00 C ATOM 1012 O ASP A 79 3.668 2.146 -15.077 1.00 0.00 O ATOM 1013 CB ASP A 79 5.358 4.255 -16.899 1.00 0.00 C ATOM 1014 CG ASP A 79 6.807 4.441 -17.353 1.00 0.00 C ATOM 1015 OD1 ASP A 79 7.665 3.943 -16.644 1.00 0.00 O ATOM 1016 OD2 ASP A 79 6.974 5.072 -18.385 1.00 0.00 O ATOM 0 H ASP A 79 6.141 1.922 -16.104 1.00 0.00 H new ATOM 0 HA ASP A 79 5.682 4.567 -14.790 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.852 3.536 -17.544 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.815 5.196 -16.984 1.00 0.00 H new ATOM 1021 N PHE A 80 3.074 4.244 -14.760 1.00 0.00 N ATOM 1022 CA PHE A 80 1.700 3.805 -14.405 1.00 0.00 C ATOM 1023 C PHE A 80 1.201 2.741 -15.380 1.00 0.00 C ATOM 1024 O PHE A 80 0.263 2.025 -15.093 1.00 0.00 O ATOM 1025 CB PHE A 80 0.741 4.994 -14.440 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.548 4.560 -13.749 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.523 4.146 -12.427 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.741 4.514 -14.445 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.669 3.690 -11.818 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.887 4.055 -13.832 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.851 3.644 -12.520 1.00 0.00 C ATOM 0 H PHE A 80 3.250 5.248 -14.727 1.00 0.00 H new ATOM 0 HA PHE A 80 1.733 3.384 -13.400 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.178 5.854 -13.933 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.542 5.297 -15.468 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.402 4.182 -11.871 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.776 4.839 -15.474 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.641 3.368 -10.788 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.815 4.018 -14.383 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.750 3.285 -12.041 1.00 0.00 H new ATOM 1041 N ASP A 81 1.842 2.658 -16.517 1.00 0.00 N ATOM 1042 CA ASP A 81 1.423 1.650 -17.516 1.00 0.00 C ATOM 1043 C ASP A 81 2.092 0.309 -17.220 1.00 0.00 C ATOM 1044 O ASP A 81 1.448 -0.721 -17.233 1.00 0.00 O ATOM 1045 CB ASP A 81 1.856 2.133 -18.908 1.00 0.00 C ATOM 1046 CG ASP A 81 0.907 3.237 -19.378 1.00 0.00 C ATOM 1047 OD1 ASP A 81 -0.220 2.887 -19.686 1.00 0.00 O ATOM 1048 OD2 ASP A 81 1.363 4.369 -19.403 1.00 0.00 O ATOM 0 H ASP A 81 2.632 3.244 -16.789 1.00 0.00 H new ATOM 0 HA ASP A 81 0.341 1.523 -17.476 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.879 2.507 -18.874 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.844 1.302 -19.614 1.00 0.00 H new ATOM 1053 N ASP A 82 3.383 0.340 -16.956 1.00 0.00 N ATOM 1054 CA ASP A 82 4.084 -0.926 -16.658 1.00 0.00 C ATOM 1055 C ASP A 82 3.630 -1.402 -15.296 1.00 0.00 C ATOM 1056 O ASP A 82 3.741 -2.558 -14.953 1.00 0.00 O ATOM 1057 CB ASP A 82 5.595 -0.652 -16.632 1.00 0.00 C ATOM 1058 CG ASP A 82 6.351 -1.975 -16.487 1.00 0.00 C ATOM 1059 OD1 ASP A 82 6.244 -2.546 -15.414 1.00 0.00 O ATOM 1060 OD2 ASP A 82 6.992 -2.341 -17.457 1.00 0.00 O ATOM 0 H ASP A 82 3.961 1.180 -16.937 1.00 0.00 H new ATOM 0 HA ASP A 82 3.864 -1.683 -17.410 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.899 -0.145 -17.548 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.841 0.012 -15.804 1.00 0.00 H new ATOM 1065 N PHE A 83 3.121 -0.462 -14.556 1.00 0.00 N ATOM 1066 CA PHE A 83 2.619 -0.733 -13.192 1.00 0.00 C ATOM 1067 C PHE A 83 1.325 -1.531 -13.288 1.00 0.00 C ATOM 1068 O PHE A 83 1.199 -2.615 -12.733 1.00 0.00 O ATOM 1069 CB PHE A 83 2.351 0.658 -12.592 1.00 0.00 C ATOM 1070 CG PHE A 83 1.816 0.603 -11.164 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.615 0.167 -10.123 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.582 1.166 -10.871 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.194 0.308 -8.813 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.168 1.304 -9.565 1.00 0.00 C ATOM 1075 CZ PHE A 83 0.971 0.881 -8.537 1.00 0.00 C ATOM 0 H PHE A 83 3.031 0.510 -14.852 1.00 0.00 H new ATOM 0 HA PHE A 83 3.317 -1.308 -12.584 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.275 1.236 -12.605 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.635 1.186 -13.221 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.573 -0.286 -10.334 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.059 1.499 -11.674 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.825 -0.032 -8.005 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.793 1.747 -9.349 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.646 0.997 -7.514 1.00 0.00 H new ATOM 1085 N VAL A 84 0.389 -0.982 -14.009 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.905 -1.669 -14.174 1.00 0.00 C ATOM 1087 C VAL A 84 -0.679 -2.986 -14.892 1.00 0.00 C ATOM 1088 O VAL A 84 -1.304 -3.986 -14.589 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.809 -0.762 -15.039 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.761 -1.619 -15.871 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.623 0.155 -14.130 1.00 0.00 C ATOM 0 H VAL A 84 0.471 -0.086 -14.489 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.369 -1.863 -13.207 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.186 -0.165 -15.705 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.395 -0.973 -16.478 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.184 -2.277 -16.521 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.384 -2.219 -15.208 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.262 0.796 -14.738 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.241 -0.448 -13.465 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.948 0.772 -13.537 1.00 0.00 H new ATOM 1101 N GLU A 85 0.222 -2.962 -15.836 1.00 0.00 N ATOM 1102 CA GLU A 85 0.513 -4.194 -16.588 1.00 0.00 C ATOM 1103 C GLU A 85 1.197 -5.199 -15.682 1.00 0.00 C ATOM 1104 O GLU A 85 1.007 -6.385 -15.820 1.00 0.00 O ATOM 1105 CB GLU A 85 1.448 -3.848 -17.755 1.00 0.00 C ATOM 1106 CG GLU A 85 0.609 -3.329 -18.925 1.00 0.00 C ATOM 1107 CD GLU A 85 1.536 -2.866 -20.050 1.00 0.00 C ATOM 1108 OE1 GLU A 85 2.049 -3.742 -20.726 1.00 0.00 O ATOM 1109 OE2 GLU A 85 1.679 -1.660 -20.171 1.00 0.00 O ATOM 0 H GLU A 85 0.762 -2.142 -16.111 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.416 -4.624 -16.963 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.172 -3.094 -17.447 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.014 -4.729 -18.058 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.056 -4.114 -19.286 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.022 -2.503 -18.596 1.00 0.00 H new ATOM 1116 N LEU A 86 1.995 -4.707 -14.766 1.00 0.00 N ATOM 1117 CA LEU A 86 2.689 -5.637 -13.849 1.00 0.00 C ATOM 1118 C LEU A 86 1.665 -6.516 -13.159 1.00 0.00 C ATOM 1119 O LEU A 86 1.869 -7.701 -12.980 1.00 0.00 O ATOM 1120 CB LEU A 86 3.437 -4.816 -12.776 1.00 0.00 C ATOM 1121 CG LEU A 86 4.913 -5.224 -12.762 1.00 0.00 C ATOM 1122 CD1 LEU A 86 5.710 -4.193 -11.961 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.049 -6.593 -12.091 1.00 0.00 C ATOM 0 H LEU A 86 2.188 -3.716 -14.621 1.00 0.00 H new ATOM 0 HA LEU A 86 3.390 -6.253 -14.412 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.345 -3.751 -12.987 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.992 -4.986 -11.796 1.00 0.00 H new ATOM 0 HG LEU A 86 5.292 -5.273 -13.783 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.762 -4.477 -11.947 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.605 -3.212 -12.425 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.331 -4.154 -10.940 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.098 -6.889 -12.078 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.675 -6.536 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.471 -7.330 -12.648 1.00 0.00 H new ATOM 1135 N MET A 87 0.571 -5.909 -12.783 1.00 0.00 N ATOM 1136 CA MET A 87 -0.497 -6.679 -12.098 1.00 0.00 C ATOM 1137 C MET A 87 -1.465 -7.298 -13.112 1.00 0.00 C ATOM 1138 O MET A 87 -2.300 -8.109 -12.767 1.00 0.00 O ATOM 1139 CB MET A 87 -1.272 -5.703 -11.202 1.00 0.00 C ATOM 1140 CG MET A 87 -0.509 -5.512 -9.891 1.00 0.00 C ATOM 1141 SD MET A 87 -1.406 -4.764 -8.510 1.00 0.00 S ATOM 1142 CE MET A 87 -0.044 -3.751 -7.884 1.00 0.00 C ATOM 0 H MET A 87 0.375 -4.918 -12.922 1.00 0.00 H new ATOM 0 HA MET A 87 -0.049 -7.486 -11.518 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.395 -4.745 -11.708 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.272 -6.089 -11.002 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.145 -6.487 -9.568 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.367 -4.897 -10.097 1.00 0.00 H new ATOM 0 HE1 MET A 87 -0.379 -3.190 -7.011 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.789 -4.395 -7.603 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.279 -3.057 -8.660 1.00 0.00 H new ATOM 1152 N GLY A 88 -1.324 -6.899 -14.343 1.00 0.00 N ATOM 1153 CA GLY A 88 -2.215 -7.437 -15.419 1.00 0.00 C ATOM 1154 C GLY A 88 -2.328 -8.984 -15.389 1.00 0.00 C ATOM 1155 O GLY A 88 -3.408 -9.525 -15.265 1.00 0.00 O ATOM 0 H GLY A 88 -0.629 -6.221 -14.657 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.209 -7.003 -15.312 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.833 -7.124 -16.391 1.00 0.00 H new ATOM 1159 N PRO A 89 -1.196 -9.655 -15.507 1.00 0.00 N ATOM 1160 CA PRO A 89 -1.160 -11.123 -15.498 1.00 0.00 C ATOM 1161 C PRO A 89 -1.904 -11.720 -14.309 1.00 0.00 C ATOM 1162 O PRO A 89 -2.388 -12.834 -14.380 1.00 0.00 O ATOM 1163 CB PRO A 89 0.338 -11.477 -15.419 1.00 0.00 C ATOM 1164 CG PRO A 89 1.134 -10.147 -15.592 1.00 0.00 C ATOM 1165 CD PRO A 89 0.108 -9.000 -15.615 1.00 0.00 C ATOM 0 HA PRO A 89 -1.652 -11.528 -16.382 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.573 -11.945 -14.463 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.607 -12.191 -16.198 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.842 -10.013 -14.774 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.713 -10.163 -16.515 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.271 -8.308 -14.789 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.184 -8.421 -16.536 1.00 0.00 H new ATOM 1173 N LYS A 90 -1.982 -10.982 -13.243 1.00 0.00 N ATOM 1174 CA LYS A 90 -2.693 -11.502 -12.049 1.00 0.00 C ATOM 1175 C LYS A 90 -3.401 -10.372 -11.319 1.00 0.00 C ATOM 1176 O LYS A 90 -3.227 -10.184 -10.132 1.00 0.00 O ATOM 1177 CB LYS A 90 -1.660 -12.152 -11.111 1.00 0.00 C ATOM 1178 CG LYS A 90 -1.104 -13.414 -11.784 1.00 0.00 C ATOM 1179 CD LYS A 90 -0.482 -14.327 -10.721 1.00 0.00 C ATOM 1180 CE LYS A 90 -1.311 -15.611 -10.607 1.00 0.00 C ATOM 1181 NZ LYS A 90 -1.481 -16.247 -11.945 1.00 0.00 N ATOM 0 H LYS A 90 -1.587 -10.047 -13.146 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.439 -12.234 -12.359 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.852 -11.452 -10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.123 -12.406 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.901 -13.940 -12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.356 -13.143 -12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.547 -14.568 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.450 -13.815 -9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.821 -16.308 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.288 -15.383 -10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.395 -17.279 -11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.420 -16.011 -12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.747 -15.895 -12.592 1.00 0.00 H new ATOM 1195 N LEU A 91 -4.193 -9.637 -12.054 1.00 0.00 N ATOM 1196 CA LEU A 91 -4.932 -8.508 -11.441 1.00 0.00 C ATOM 1197 C LEU A 91 -5.913 -9.012 -10.389 1.00 0.00 C ATOM 1198 O LEU A 91 -6.774 -9.830 -10.646 1.00 0.00 O ATOM 1199 CB LEU A 91 -5.720 -7.791 -12.552 1.00 0.00 C ATOM 1200 CG LEU A 91 -5.963 -6.333 -12.147 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -4.620 -5.634 -11.945 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -6.731 -5.622 -13.262 1.00 0.00 C ATOM 0 H LEU A 91 -4.357 -9.774 -13.051 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.224 -7.832 -10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.166 -7.832 -13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.671 -8.296 -12.722 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.538 -6.302 -11.222 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.790 -4.597 -11.657 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.060 -6.142 -11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.051 -5.664 -12.874 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.906 -4.584 -12.978 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.148 -5.653 -14.182 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.687 -6.121 -13.421 1.00 0.00 H new TER 1214 LEU A 91 HETATM 1215 MG MG A 601 8.992 8.792 -9.722 1.00 0.00 MG