USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 566 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 Single : A 15 ASN : amide:sc= -0.178 K(o=-0.18,f=-5!) USER MOD Single : A 18 CYS SG : rot -97:sc= -3.02 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0795 X(o=-0.08,f=-0.24) USER MOD Single : A 25 MET CE :methyl 139:sc= -0.452 (180deg=-2.61!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 39:sc= 0.127 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.027) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.0464 X(o=0.046,f=0) USER MOD Single : A 50 THR OG1 : rot -14:sc= 0.188 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.839 USER MOD Single : A 59 CYS SG : rot 22:sc= -1.89! USER MOD Single : A 64 MET CE :methyl -145:sc= -0.0205 (180deg=-1.22) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0892) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0518) USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0132) USER MOD Single : A 73 SER OG : rot 120:sc= 0.442 USER MOD Single : A 83 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.36) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 52:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 15 -5.677 5.779 5.149 1.00 0.92 N ATOM 2 CA ASN A 15 -6.573 4.928 5.966 1.00 0.85 C ATOM 3 C ASN A 15 -8.011 5.444 5.950 1.00 0.80 C ATOM 4 O ASN A 15 -8.941 4.691 6.236 1.00 0.75 O ATOM 5 CB ASN A 15 -6.055 4.827 7.409 1.00 0.93 C ATOM 6 CG ASN A 15 -5.732 6.175 8.030 1.00 1.63 C ATOM 7 OD1 ASN A 15 -6.345 7.190 7.707 1.00 2.49 O ATOM 8 ND2 ASN A 15 -4.757 6.191 8.923 1.00 1.95 N ATOM 0 HA ASN A 15 -6.574 3.932 5.522 1.00 0.85 H new ATOM 0 HB2 ASN A 15 -6.803 4.323 8.021 1.00 0.93 H new ATOM 0 HB3 ASN A 15 -5.160 4.205 7.423 1.00 0.93 H new ATOM 0 HD21 ASN A 15 -4.490 7.068 9.371 1.00 1.95 H new ATOM 0 HD22 ASN A 15 -4.272 5.327 9.164 1.00 1.95 H new ATOM 17 N ASP A 16 -8.201 6.711 5.582 1.00 0.85 N ATOM 18 CA ASP A 16 -9.526 7.334 5.635 1.00 0.87 C ATOM 19 C ASP A 16 -10.477 6.693 4.633 1.00 0.75 C ATOM 20 O ASP A 16 -11.617 6.368 4.964 1.00 0.74 O ATOM 21 CB ASP A 16 -9.427 8.830 5.347 1.00 1.00 C ATOM 22 CG ASP A 16 -10.768 9.528 5.464 1.00 1.63 C ATOM 23 OD1 ASP A 16 -11.234 9.733 6.604 1.00 1.81 O ATOM 24 OD2 ASP A 16 -11.358 9.880 4.420 1.00 2.46 O ATOM 0 H ASP A 16 -7.459 7.325 5.245 1.00 0.85 H new ATOM 0 HA ASP A 16 -9.919 7.182 6.640 1.00 0.87 H new ATOM 0 HB2 ASP A 16 -8.721 9.286 6.041 1.00 1.00 H new ATOM 0 HB3 ASP A 16 -9.029 8.979 4.343 1.00 1.00 H new ATOM 29 N ILE A 17 -9.987 6.504 3.417 1.00 0.70 N ATOM 30 CA ILE A 17 -10.789 5.929 2.341 1.00 0.64 C ATOM 31 C ILE A 17 -11.238 4.517 2.701 1.00 0.57 C ATOM 32 O ILE A 17 -12.391 4.144 2.485 1.00 0.57 O ATOM 33 CB ILE A 17 -10.023 5.902 0.991 1.00 0.65 C ATOM 34 CG1 ILE A 17 -9.810 7.320 0.453 1.00 0.74 C ATOM 35 CG2 ILE A 17 -10.776 5.071 -0.039 1.00 0.65 C ATOM 36 CD1 ILE A 17 -8.836 8.152 1.253 1.00 0.80 C ATOM 0 H ILE A 17 -9.032 6.741 3.147 1.00 0.70 H new ATOM 0 HA ILE A 17 -11.662 6.570 2.220 1.00 0.64 H new ATOM 0 HB ILE A 17 -9.050 5.446 1.172 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -9.455 7.256 -0.575 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -10.771 7.833 0.426 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -10.222 5.065 -0.978 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -10.883 4.049 0.325 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -11.763 5.503 -0.203 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -8.745 9.140 0.802 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -9.198 8.252 2.276 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -7.861 7.665 1.259 1.00 0.80 H new ATOM 48 N CYS A 18 -10.330 3.751 3.289 1.00 0.55 N ATOM 49 CA CYS A 18 -10.619 2.374 3.663 1.00 0.51 C ATOM 50 C CYS A 18 -11.575 2.340 4.850 1.00 0.53 C ATOM 51 O CYS A 18 -12.513 1.544 4.890 1.00 0.51 O ATOM 52 CB CYS A 18 -9.316 1.645 4.006 1.00 0.52 C ATOM 53 SG CYS A 18 -9.518 -0.108 4.398 1.00 1.35 S ATOM 0 H CYS A 18 -9.385 4.061 3.518 1.00 0.55 H new ATOM 0 HA CYS A 18 -11.095 1.869 2.822 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -8.630 1.739 3.165 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -8.849 2.143 4.856 1.00 0.52 H new ATOM 0 HG CYS A 18 -9.577 -0.260 5.688 1.00 1.35 H new ATOM 59 N LEU A 19 -11.328 3.225 5.802 1.00 0.58 N ATOM 60 CA LEU A 19 -12.151 3.331 6.997 1.00 0.63 C ATOM 61 C LEU A 19 -13.585 3.676 6.630 1.00 0.63 C ATOM 62 O LEU A 19 -14.526 2.980 7.016 1.00 0.63 O ATOM 63 CB LEU A 19 -11.587 4.413 7.910 1.00 0.72 C ATOM 64 CG LEU A 19 -12.297 4.587 9.253 1.00 0.83 C ATOM 65 CD1 LEU A 19 -12.202 3.316 10.082 1.00 1.14 C ATOM 66 CD2 LEU A 19 -11.706 5.768 10.007 1.00 1.16 C ATOM 0 H LEU A 19 -10.554 3.888 5.769 1.00 0.58 H new ATOM 0 HA LEU A 19 -12.142 2.371 7.512 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -10.537 4.190 8.102 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -11.619 5.364 7.378 1.00 0.72 H new ATOM 0 HG LEU A 19 -13.352 4.787 9.065 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -12.714 3.463 11.033 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -12.670 2.493 9.541 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -11.154 3.080 10.267 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -12.219 5.883 10.962 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -10.645 5.593 10.184 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -11.830 6.676 9.417 1.00 1.16 H new ATOM 78 N ARG A 20 -13.731 4.760 5.885 1.00 0.64 N ATOM 79 CA ARG A 20 -15.036 5.261 5.460 1.00 0.65 C ATOM 80 C ARG A 20 -15.815 4.217 4.662 1.00 0.58 C ATOM 81 O ARG A 20 -17.043 4.144 4.748 1.00 0.60 O ATOM 82 CB ARG A 20 -14.846 6.509 4.606 1.00 0.69 C ATOM 83 CG ARG A 20 -16.132 7.264 4.322 1.00 0.82 C ATOM 84 CD ARG A 20 -15.892 8.398 3.343 1.00 1.37 C ATOM 85 NE ARG A 20 -14.784 9.257 3.763 1.00 2.06 N ATOM 86 CZ ARG A 20 -14.686 10.546 3.457 1.00 2.90 C ATOM 87 NH1 ARG A 20 -15.634 11.136 2.742 1.00 3.23 N ATOM 88 NH2 ARG A 20 -13.628 11.242 3.853 1.00 3.84 N ATOM 0 H ARG A 20 -12.947 5.322 5.555 1.00 0.64 H new ATOM 0 HA ARG A 20 -15.611 5.496 6.356 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -14.147 7.178 5.109 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -14.388 6.223 3.659 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -16.877 6.580 3.916 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -16.537 7.662 5.252 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -15.678 7.987 2.356 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -16.799 8.995 3.250 1.00 1.37 H new ATOM 0 HE ARG A 20 -14.042 8.841 4.325 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -16.442 10.600 2.425 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -15.555 12.126 2.509 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -12.891 10.787 4.392 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -13.552 12.232 3.619 1.00 3.84 H new ATOM 102 N LYS A 21 -15.094 3.406 3.895 1.00 0.51 N ATOM 103 CA LYS A 21 -15.698 2.381 3.042 1.00 0.46 C ATOM 104 C LYS A 21 -16.237 1.210 3.853 1.00 0.45 C ATOM 105 O LYS A 21 -16.713 0.217 3.298 1.00 0.44 O ATOM 106 CB LYS A 21 -14.663 1.875 2.047 1.00 0.41 C ATOM 107 CG LYS A 21 -14.712 2.574 0.708 1.00 0.52 C ATOM 108 CD LYS A 21 -16.004 2.252 -0.011 1.00 0.72 C ATOM 109 CE LYS A 21 -16.020 2.840 -1.410 1.00 0.72 C ATOM 110 NZ LYS A 21 -17.238 2.457 -2.168 1.00 1.10 N ATOM 0 H LYS A 21 -14.076 3.438 3.845 1.00 0.51 H new ATOM 0 HA LYS A 21 -16.538 2.837 2.517 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -13.669 2.000 2.476 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -14.812 0.806 1.894 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -14.627 3.651 0.850 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -13.863 2.265 0.098 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -16.131 1.171 -0.068 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -16.847 2.643 0.559 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -15.961 3.927 -1.346 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -15.136 2.505 -1.953 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -17.204 2.882 -3.117 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -17.282 1.421 -2.253 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -18.082 2.799 -1.665 1.00 1.10 H new ATOM 124 N ASN A 22 -16.147 1.353 5.160 1.00 0.48 N ATOM 125 CA ASN A 22 -16.634 0.362 6.109 1.00 0.50 C ATOM 126 C ASN A 22 -15.863 -0.947 5.950 1.00 0.42 C ATOM 127 O ASN A 22 -16.422 -2.041 6.024 1.00 0.49 O ATOM 128 CB ASN A 22 -18.144 0.154 5.930 1.00 0.59 C ATOM 129 CG ASN A 22 -18.799 -0.553 7.104 1.00 1.08 C ATOM 130 OD1 ASN A 22 -18.931 -1.776 7.120 1.00 1.55 O ATOM 131 ND2 ASN A 22 -19.224 0.217 8.093 1.00 1.92 N ATOM 0 H ASN A 22 -15.728 2.171 5.603 1.00 0.48 H new ATOM 0 HA ASN A 22 -16.466 0.724 7.123 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -18.622 1.123 5.786 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -18.318 -0.425 5.023 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -19.679 -0.200 8.905 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -19.096 1.228 8.043 1.00 1.92 H new ATOM 138 N TRP A 23 -14.568 -0.818 5.709 1.00 0.35 N ATOM 139 CA TRP A 23 -13.686 -1.968 5.617 1.00 0.29 C ATOM 140 C TRP A 23 -12.845 -2.071 6.884 1.00 0.34 C ATOM 141 O TRP A 23 -12.785 -1.122 7.671 1.00 0.40 O ATOM 142 CB TRP A 23 -12.748 -1.837 4.414 1.00 0.26 C ATOM 143 CG TRP A 23 -13.423 -1.759 3.079 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.584 -2.359 2.684 1.00 0.25 C ATOM 145 CD2 TRP A 23 -12.929 -1.054 1.944 1.00 0.24 C ATOM 146 NE1 TRP A 23 -14.845 -2.050 1.364 1.00 0.25 N ATOM 147 CE2 TRP A 23 -13.835 -1.251 0.889 1.00 0.25 C ATOM 148 CE3 TRP A 23 -11.802 -0.270 1.728 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -13.637 -0.682 -0.372 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.607 0.290 0.489 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.518 0.084 -0.551 1.00 0.31 C ATOM 0 H TRP A 23 -14.103 0.079 5.573 1.00 0.35 H new ATOM 0 HA TRP A 23 -14.300 -2.861 5.497 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -12.137 -0.944 4.546 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -12.069 -2.690 4.410 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -15.205 -2.982 3.310 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.655 -2.364 0.830 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -11.090 -0.103 2.523 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.341 -0.841 -1.175 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -10.734 0.901 0.315 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.335 0.538 -1.514 1.00 0.31 H new ATOM 162 N PRO A 24 -12.201 -3.225 7.115 1.00 0.34 N ATOM 163 CA PRO A 24 -11.217 -3.371 8.187 1.00 0.40 C ATOM 164 C PRO A 24 -9.922 -2.632 7.844 1.00 0.39 C ATOM 165 O PRO A 24 -9.866 -1.895 6.860 1.00 0.41 O ATOM 166 CB PRO A 24 -10.986 -4.880 8.258 1.00 0.43 C ATOM 167 CG PRO A 24 -11.321 -5.383 6.900 1.00 0.44 C ATOM 168 CD PRO A 24 -12.399 -4.480 6.368 1.00 0.34 C ATOM 0 HA PRO A 24 -11.555 -2.950 9.134 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -9.953 -5.110 8.521 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -11.618 -5.341 9.017 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -10.445 -5.365 6.252 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -11.665 -6.416 6.942 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -12.299 -4.327 5.293 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.392 -4.896 6.540 1.00 0.34 H new ATOM 176 N MET A 25 -8.883 -2.818 8.641 1.00 0.47 N ATOM 177 CA MET A 25 -7.617 -2.150 8.387 1.00 0.47 C ATOM 178 C MET A 25 -6.807 -2.912 7.341 1.00 0.38 C ATOM 179 O MET A 25 -6.726 -4.143 7.388 1.00 0.44 O ATOM 180 CB MET A 25 -6.831 -2.029 9.684 1.00 0.61 C ATOM 181 CG MET A 25 -7.548 -1.231 10.762 1.00 0.70 C ATOM 182 SD MET A 25 -7.349 0.562 10.603 1.00 0.90 S ATOM 183 CE MET A 25 -8.593 0.979 9.377 1.00 1.00 C ATOM 0 H MET A 25 -8.890 -3.421 9.463 1.00 0.47 H new ATOM 0 HA MET A 25 -7.817 -1.152 7.998 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.619 -3.028 10.065 1.00 0.61 H new ATOM 0 HB3 MET A 25 -5.871 -1.558 9.474 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.610 -1.473 10.733 1.00 0.70 H new ATOM 0 HG3 MET A 25 -7.177 -1.543 11.738 1.00 0.70 H new ATOM 0 HE1 MET A 25 -9.093 1.904 9.666 1.00 1.00 H new ATOM 0 HE2 MET A 25 -8.116 1.112 8.406 1.00 1.00 H new ATOM 0 HE3 MET A 25 -9.326 0.175 9.314 1.00 1.00 H new ATOM 193 N PRO A 26 -6.209 -2.189 6.377 1.00 0.32 N ATOM 194 CA PRO A 26 -5.443 -2.797 5.284 1.00 0.25 C ATOM 195 C PRO A 26 -4.140 -3.437 5.752 1.00 0.23 C ATOM 196 O PRO A 26 -3.692 -3.238 6.882 1.00 0.27 O ATOM 197 CB PRO A 26 -5.121 -1.625 4.352 1.00 0.30 C ATOM 198 CG PRO A 26 -5.976 -0.494 4.808 1.00 0.46 C ATOM 199 CD PRO A 26 -6.230 -0.723 6.268 1.00 0.44 C ATOM 0 HA PRO A 26 -6.015 -3.599 4.816 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -4.065 -1.362 4.406 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.333 -1.882 3.314 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -5.477 0.461 4.645 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -6.912 -0.464 4.250 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -5.463 -0.260 6.889 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -7.188 -0.308 6.582 1.00 0.44 H new ATOM 207 N SER A 27 -3.539 -4.198 4.854 1.00 0.20 N ATOM 208 CA SER A 27 -2.273 -4.858 5.118 1.00 0.20 C ATOM 209 C SER A 27 -1.112 -3.952 4.726 1.00 0.17 C ATOM 210 O SER A 27 -1.174 -3.267 3.704 1.00 0.17 O ATOM 211 CB SER A 27 -2.204 -6.161 4.329 1.00 0.25 C ATOM 212 OG SER A 27 -1.078 -6.940 4.699 1.00 0.30 O ATOM 0 H SER A 27 -3.915 -4.375 3.922 1.00 0.20 H new ATOM 0 HA SER A 27 -2.201 -5.075 6.184 1.00 0.20 H new ATOM 0 HB2 SER A 27 -3.115 -6.736 4.496 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.158 -5.939 3.263 1.00 0.25 H new ATOM 0 HG SER A 27 -1.067 -7.768 4.175 1.00 0.30 H new ATOM 218 N TYR A 28 -0.053 -3.965 5.528 1.00 0.17 N ATOM 219 CA TYR A 28 1.119 -3.136 5.281 1.00 0.17 C ATOM 220 C TYR A 28 2.374 -3.901 5.694 1.00 0.20 C ATOM 221 O TYR A 28 2.600 -4.129 6.885 1.00 0.25 O ATOM 222 CB TYR A 28 1.050 -1.820 6.067 1.00 0.20 C ATOM 223 CG TYR A 28 0.082 -0.799 5.508 1.00 0.19 C ATOM 224 CD1 TYR A 28 -1.242 -0.767 5.924 1.00 0.20 C ATOM 225 CD2 TYR A 28 0.496 0.142 4.571 1.00 0.22 C ATOM 226 CE1 TYR A 28 -2.124 0.170 5.422 1.00 0.23 C ATOM 227 CE2 TYR A 28 -0.377 1.082 4.067 1.00 0.25 C ATOM 228 CZ TYR A 28 -1.687 1.091 4.496 1.00 0.25 C ATOM 229 OH TYR A 28 -2.562 2.025 3.993 1.00 0.30 O ATOM 0 H TYR A 28 0.017 -4.547 6.363 1.00 0.17 H new ATOM 0 HA TYR A 28 1.150 -2.899 4.218 1.00 0.17 H new ATOM 0 HB2 TYR A 28 0.769 -2.042 7.096 1.00 0.20 H new ATOM 0 HB3 TYR A 28 2.046 -1.378 6.097 1.00 0.20 H new ATOM 0 HD1 TYR A 28 -1.588 -1.486 6.652 1.00 0.20 H new ATOM 0 HD2 TYR A 28 1.521 0.136 4.232 1.00 0.22 H new ATOM 0 HE1 TYR A 28 -3.152 0.180 5.754 1.00 0.23 H new ATOM 0 HE2 TYR A 28 -0.037 1.806 3.341 1.00 0.25 H new ATOM 0 HH TYR A 28 -2.094 2.600 3.352 1.00 0.30 H new ATOM 239 N ARG A 29 3.192 -4.304 4.726 1.00 0.23 N ATOM 240 CA ARG A 29 4.387 -5.076 5.019 1.00 0.33 C ATOM 241 C ARG A 29 5.412 -4.919 3.901 1.00 0.24 C ATOM 242 O ARG A 29 5.092 -5.090 2.726 1.00 0.22 O ATOM 243 CB ARG A 29 4.016 -6.545 5.194 1.00 0.50 C ATOM 244 CG ARG A 29 5.119 -7.388 5.802 1.00 1.34 C ATOM 245 CD ARG A 29 4.629 -8.793 6.106 1.00 1.55 C ATOM 246 NE ARG A 29 3.420 -8.777 6.931 1.00 2.13 N ATOM 247 CZ ARG A 29 2.895 -9.854 7.509 1.00 2.75 C ATOM 248 NH1 ARG A 29 3.499 -11.031 7.405 1.00 2.84 N ATOM 249 NH2 ARG A 29 1.764 -9.748 8.196 1.00 3.69 N ATOM 0 H ARG A 29 3.047 -4.108 3.736 1.00 0.23 H new ATOM 0 HA ARG A 29 4.831 -4.706 5.943 1.00 0.33 H new ATOM 0 HB2 ARG A 29 3.130 -6.613 5.825 1.00 0.50 H new ATOM 0 HB3 ARG A 29 3.748 -6.960 4.222 1.00 0.50 H new ATOM 0 HG2 ARG A 29 5.965 -7.435 5.116 1.00 1.34 H new ATOM 0 HG3 ARG A 29 5.477 -6.918 6.718 1.00 1.34 H new ATOM 0 HD2 ARG A 29 4.426 -9.318 5.172 1.00 1.55 H new ATOM 0 HD3 ARG A 29 5.413 -9.349 6.620 1.00 1.55 H new ATOM 0 HE ARG A 29 2.950 -7.883 7.072 1.00 2.13 H new ATOM 0 HH11 ARG A 29 4.370 -11.113 6.880 1.00 2.84 H new ATOM 0 HH12 ARG A 29 3.093 -11.854 7.850 1.00 2.84 H new ATOM 0 HH21 ARG A 29 1.301 -8.843 8.279 1.00 3.69 H new ATOM 0 HH22 ARG A 29 1.358 -10.571 8.641 1.00 3.69 H new ATOM 263 N CYS A 30 6.639 -4.571 4.270 1.00 0.31 N ATOM 264 CA CYS A 30 7.704 -4.366 3.299 1.00 0.31 C ATOM 265 C CYS A 30 8.058 -5.670 2.595 1.00 0.27 C ATOM 266 O CYS A 30 8.373 -6.673 3.236 1.00 0.30 O ATOM 267 CB CYS A 30 8.935 -3.765 3.986 1.00 0.45 C ATOM 268 SG CYS A 30 9.385 -4.574 5.539 1.00 1.53 S ATOM 0 H CYS A 30 6.921 -4.425 5.239 1.00 0.31 H new ATOM 0 HA CYS A 30 7.352 -3.665 2.542 1.00 0.31 H new ATOM 0 HB2 CYS A 30 9.782 -3.820 3.302 1.00 0.45 H new ATOM 0 HB3 CYS A 30 8.750 -2.709 4.180 1.00 0.45 H new ATOM 0 HG CYS A 30 9.210 -5.857 5.427 1.00 1.53 H new ATOM 274 N VAL A 31 7.988 -5.653 1.270 1.00 0.26 N ATOM 275 CA VAL A 31 8.236 -6.848 0.482 1.00 0.28 C ATOM 276 C VAL A 31 9.712 -7.006 0.163 1.00 0.27 C ATOM 277 O VAL A 31 10.240 -8.116 0.161 1.00 0.32 O ATOM 278 CB VAL A 31 7.423 -6.852 -0.829 1.00 0.34 C ATOM 279 CG1 VAL A 31 5.939 -6.864 -0.525 1.00 1.15 C ATOM 280 CG2 VAL A 31 7.766 -5.662 -1.713 1.00 1.15 C ATOM 0 H VAL A 31 7.761 -4.824 0.721 1.00 0.26 H new ATOM 0 HA VAL A 31 7.913 -7.692 1.092 1.00 0.28 H new ATOM 0 HB VAL A 31 7.688 -7.757 -1.376 1.00 0.34 H new ATOM 0 HG11 VAL A 31 5.376 -6.867 -1.459 1.00 1.15 H new ATOM 0 HG12 VAL A 31 5.693 -7.757 0.050 1.00 1.15 H new ATOM 0 HG13 VAL A 31 5.679 -5.977 0.053 1.00 1.15 H new ATOM 0 HG21 VAL A 31 7.171 -5.703 -2.626 1.00 1.15 H new ATOM 0 HG22 VAL A 31 7.548 -4.737 -1.179 1.00 1.15 H new ATOM 0 HG23 VAL A 31 8.825 -5.692 -1.969 1.00 1.15 H new ATOM 290 N LYS A 32 10.379 -5.893 -0.087 1.00 0.24 N ATOM 291 CA LYS A 32 11.798 -5.913 -0.412 1.00 0.26 C ATOM 292 C LYS A 32 12.535 -4.816 0.346 1.00 0.31 C ATOM 293 O LYS A 32 12.199 -3.634 0.241 1.00 0.31 O ATOM 294 CB LYS A 32 12.008 -5.732 -1.911 1.00 0.30 C ATOM 295 CG LYS A 32 13.440 -5.974 -2.350 1.00 0.61 C ATOM 296 CD LYS A 32 13.587 -5.864 -3.854 1.00 1.14 C ATOM 297 CE LYS A 32 15.017 -6.130 -4.286 1.00 1.37 C ATOM 298 NZ LYS A 32 15.164 -6.110 -5.764 1.00 2.25 N ATOM 0 H LYS A 32 9.962 -4.962 -0.072 1.00 0.24 H new ATOM 0 HA LYS A 32 12.199 -6.882 -0.114 1.00 0.26 H new ATOM 0 HB2 LYS A 32 11.350 -6.415 -2.448 1.00 0.30 H new ATOM 0 HB3 LYS A 32 11.715 -4.721 -2.192 1.00 0.30 H new ATOM 0 HG2 LYS A 32 14.097 -5.252 -1.866 1.00 0.61 H new ATOM 0 HG3 LYS A 32 13.759 -6.964 -2.024 1.00 0.61 H new ATOM 0 HD2 LYS A 32 12.919 -6.575 -4.340 1.00 1.14 H new ATOM 0 HD3 LYS A 32 13.285 -4.869 -4.180 1.00 1.14 H new ATOM 0 HE2 LYS A 32 15.674 -5.380 -3.846 1.00 1.37 H new ATOM 0 HE3 LYS A 32 15.337 -7.099 -3.903 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 16.156 -6.296 -6.017 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 14.557 -6.843 -6.183 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 14.883 -5.177 -6.128 1.00 2.25 H new ATOM 312 N GLU A 33 13.529 -5.229 1.114 1.00 0.52 N ATOM 313 CA GLU A 33 14.318 -4.324 1.938 1.00 0.65 C ATOM 314 C GLU A 33 15.730 -4.877 2.130 1.00 0.98 C ATOM 315 O GLU A 33 15.906 -6.093 2.246 1.00 1.39 O ATOM 316 CB GLU A 33 13.624 -4.156 3.296 1.00 1.01 C ATOM 317 CG GLU A 33 14.486 -3.518 4.373 1.00 1.34 C ATOM 318 CD GLU A 33 13.824 -3.550 5.733 1.00 1.80 C ATOM 319 OE1 GLU A 33 13.596 -4.654 6.270 1.00 1.99 O ATOM 320 OE2 GLU A 33 13.522 -2.465 6.271 1.00 2.60 O ATOM 0 H GLU A 33 13.814 -6.206 1.185 1.00 0.52 H new ATOM 0 HA GLU A 33 14.396 -3.355 1.445 1.00 0.65 H new ATOM 0 HB2 GLU A 33 12.729 -3.549 3.159 1.00 1.01 H new ATOM 0 HB3 GLU A 33 13.295 -5.135 3.645 1.00 1.01 H new ATOM 0 HG2 GLU A 33 15.443 -4.038 4.425 1.00 1.34 H new ATOM 0 HG3 GLU A 33 14.699 -2.485 4.100 1.00 1.34 H new ATOM 327 N GLY A 34 16.733 -4.002 2.153 1.00 1.02 N ATOM 328 CA GLY A 34 18.066 -4.434 2.514 1.00 1.52 C ATOM 329 C GLY A 34 18.897 -4.918 1.341 1.00 1.29 C ATOM 330 O GLY A 34 18.500 -4.799 0.182 1.00 1.69 O ATOM 0 H GLY A 34 16.645 -3.011 1.930 1.00 1.02 H new ATOM 0 HA2 GLY A 34 18.586 -3.607 2.998 1.00 1.52 H new ATOM 0 HA3 GLY A 34 17.990 -5.236 3.248 1.00 1.52 H new ATOM 334 N GLY A 35 20.043 -5.492 1.668 1.00 1.53 N ATOM 335 CA GLY A 35 21.015 -5.892 0.673 1.00 1.64 C ATOM 336 C GLY A 35 22.421 -5.672 1.189 1.00 1.92 C ATOM 337 O GLY A 35 22.624 -5.651 2.404 1.00 2.13 O ATOM 0 H GLY A 35 20.322 -5.692 2.629 1.00 1.53 H new ATOM 0 HA2 GLY A 35 20.874 -6.943 0.420 1.00 1.64 H new ATOM 0 HA3 GLY A 35 20.863 -5.321 -0.243 1.00 1.64 H new ATOM 341 N PRO A 36 23.411 -5.497 0.301 1.00 2.06 N ATOM 342 CA PRO A 36 24.799 -5.218 0.696 1.00 2.40 C ATOM 343 C PRO A 36 24.897 -4.012 1.633 1.00 2.43 C ATOM 344 O PRO A 36 25.257 -4.144 2.805 1.00 3.00 O ATOM 345 CB PRO A 36 25.491 -4.926 -0.641 1.00 2.51 C ATOM 346 CG PRO A 36 24.678 -5.656 -1.650 1.00 2.43 C ATOM 347 CD PRO A 36 23.260 -5.579 -1.162 1.00 2.06 C ATOM 0 HA PRO A 36 25.248 -6.043 1.249 1.00 2.40 H new ATOM 0 HB2 PRO A 36 25.515 -3.856 -0.850 1.00 2.51 H new ATOM 0 HB3 PRO A 36 26.524 -5.274 -0.637 1.00 2.51 H new ATOM 0 HG2 PRO A 36 24.778 -5.202 -2.636 1.00 2.43 H new ATOM 0 HG3 PRO A 36 25.005 -6.692 -1.741 1.00 2.43 H new ATOM 0 HD2 PRO A 36 22.743 -4.707 -1.563 1.00 2.06 H new ATOM 0 HD3 PRO A 36 22.684 -6.455 -1.459 1.00 2.06 H new ATOM 355 N ALA A 37 24.552 -2.843 1.105 1.00 2.18 N ATOM 356 CA ALA A 37 24.535 -1.603 1.877 1.00 2.20 C ATOM 357 C ALA A 37 23.878 -0.503 1.061 1.00 1.91 C ATOM 358 O ALA A 37 23.058 0.261 1.566 1.00 1.86 O ATOM 359 CB ALA A 37 25.942 -1.188 2.290 1.00 2.61 C ATOM 0 H ALA A 37 24.276 -2.727 0.130 1.00 2.18 H new ATOM 0 HA ALA A 37 23.960 -1.772 2.787 1.00 2.20 H new ATOM 0 HB1 ALA A 37 25.895 -0.262 2.863 1.00 2.61 H new ATOM 0 HB2 ALA A 37 26.387 -1.972 2.903 1.00 2.61 H new ATOM 0 HB3 ALA A 37 26.552 -1.033 1.400 1.00 2.61 H new ATOM 365 N HIS A 38 24.225 -0.459 -0.224 1.00 1.80 N ATOM 366 CA HIS A 38 23.642 0.508 -1.157 1.00 1.61 C ATOM 367 C HIS A 38 22.250 0.069 -1.611 1.00 1.37 C ATOM 368 O HIS A 38 21.740 0.543 -2.623 1.00 1.39 O ATOM 369 CB HIS A 38 24.553 0.694 -2.384 1.00 1.69 C ATOM 370 CG HIS A 38 24.762 -0.555 -3.198 1.00 1.73 C ATOM 371 ND1 HIS A 38 25.914 -1.306 -3.138 1.00 2.01 N ATOM 372 CD2 HIS A 38 23.954 -1.188 -4.084 1.00 1.66 C ATOM 373 CE1 HIS A 38 25.806 -2.346 -3.944 1.00 2.10 C ATOM 374 NE2 HIS A 38 24.627 -2.296 -4.530 1.00 1.91 N ATOM 0 H HIS A 38 24.911 -1.085 -0.646 1.00 1.80 H new ATOM 0 HA HIS A 38 23.551 1.459 -0.631 1.00 1.61 H new ATOM 0 HB2 HIS A 38 24.125 1.464 -3.026 1.00 1.69 H new ATOM 0 HB3 HIS A 38 25.523 1.061 -2.049 1.00 1.69 H new ATOM 0 HD2 HIS A 38 22.964 -0.877 -4.383 1.00 1.66 H new ATOM 0 HE1 HIS A 38 26.556 -3.108 -4.097 1.00 2.10 H new ATOM 0 HE2 HIS A 38 24.272 -2.972 -5.206 1.00 1.91 H new ATOM 383 N ALA A 39 21.644 -0.838 -0.865 1.00 1.26 N ATOM 384 CA ALA A 39 20.354 -1.392 -1.238 1.00 1.12 C ATOM 385 C ALA A 39 19.337 -1.176 -0.129 1.00 0.93 C ATOM 386 O ALA A 39 18.475 -2.012 0.120 1.00 1.07 O ATOM 387 CB ALA A 39 20.494 -2.866 -1.563 1.00 1.28 C ATOM 0 H ALA A 39 22.026 -1.208 0.006 1.00 1.26 H new ATOM 0 HA ALA A 39 19.995 -0.875 -2.128 1.00 1.12 H new ATOM 0 HB1 ALA A 39 19.521 -3.271 -1.841 1.00 1.28 H new ATOM 0 HB2 ALA A 39 21.190 -2.991 -2.392 1.00 1.28 H new ATOM 0 HB3 ALA A 39 20.872 -3.397 -0.689 1.00 1.28 H new ATOM 393 N LYS A 40 19.439 -0.037 0.528 1.00 0.78 N ATOM 394 CA LYS A 40 18.552 0.312 1.606 1.00 0.61 C ATOM 395 C LYS A 40 17.310 1.011 1.073 1.00 0.43 C ATOM 396 O LYS A 40 16.614 1.720 1.796 1.00 0.39 O ATOM 397 CB LYS A 40 19.288 1.177 2.601 1.00 0.71 C ATOM 398 CG LYS A 40 19.654 0.462 3.893 1.00 0.90 C ATOM 399 CD LYS A 40 18.426 0.038 4.681 1.00 0.86 C ATOM 400 CE LYS A 40 18.808 -0.560 6.027 1.00 1.03 C ATOM 401 NZ LYS A 40 17.614 -0.868 6.860 1.00 1.93 N ATOM 0 H LYS A 40 20.144 0.671 0.324 1.00 0.78 H new ATOM 0 HA LYS A 40 18.222 -0.595 2.112 1.00 0.61 H new ATOM 0 HB2 LYS A 40 20.199 1.553 2.136 1.00 0.71 H new ATOM 0 HB3 LYS A 40 18.671 2.043 2.840 1.00 0.71 H new ATOM 0 HG2 LYS A 40 20.257 -0.416 3.662 1.00 0.90 H new ATOM 0 HG3 LYS A 40 20.270 1.118 4.508 1.00 0.90 H new ATOM 0 HD2 LYS A 40 17.776 0.899 4.835 1.00 0.86 H new ATOM 0 HD3 LYS A 40 17.857 -0.692 4.105 1.00 0.86 H new ATOM 0 HE2 LYS A 40 19.384 -1.472 5.868 1.00 1.03 H new ATOM 0 HE3 LYS A 40 19.454 0.136 6.563 1.00 1.03 H new ATOM 0 HZ1 LYS A 40 17.919 -1.273 7.768 1.00 1.93 H new ATOM 0 HZ2 LYS A 40 17.077 0.006 7.034 1.00 1.93 H new ATOM 0 HZ3 LYS A 40 17.010 -1.552 6.361 1.00 1.93 H new ATOM 415 N ARG A 41 17.063 0.833 -0.211 1.00 0.39 N ATOM 416 CA ARG A 41 15.838 1.312 -0.814 1.00 0.33 C ATOM 417 C ARG A 41 14.750 0.291 -0.561 1.00 0.28 C ATOM 418 O ARG A 41 14.954 -0.910 -0.750 1.00 0.36 O ATOM 419 CB ARG A 41 16.007 1.541 -2.320 1.00 0.39 C ATOM 420 CG ARG A 41 17.035 0.621 -2.967 1.00 1.16 C ATOM 421 CD ARG A 41 17.059 0.768 -4.480 1.00 1.48 C ATOM 422 NE ARG A 41 15.924 0.103 -5.120 1.00 2.15 N ATOM 423 CZ ARG A 41 15.696 0.120 -6.434 1.00 2.71 C ATOM 424 NH1 ARG A 41 16.484 0.822 -7.237 1.00 2.69 N ATOM 425 NH2 ARG A 41 14.674 -0.563 -6.944 1.00 3.64 N ATOM 0 H ARG A 41 17.696 0.360 -0.855 1.00 0.39 H new ATOM 0 HA ARG A 41 15.572 2.270 -0.368 1.00 0.33 H new ATOM 0 HB2 ARG A 41 15.044 1.398 -2.811 1.00 0.39 H new ATOM 0 HB3 ARG A 41 16.301 2.577 -2.491 1.00 0.39 H new ATOM 0 HG2 ARG A 41 18.024 0.843 -2.566 1.00 1.16 H new ATOM 0 HG3 ARG A 41 16.810 -0.413 -2.707 1.00 1.16 H new ATOM 0 HD2 ARG A 41 17.051 1.826 -4.740 1.00 1.48 H new ATOM 0 HD3 ARG A 41 17.988 0.351 -4.869 1.00 1.48 H new ATOM 0 HE ARG A 41 15.268 -0.404 -4.526 1.00 2.15 H new ATOM 0 HH11 ARG A 41 17.266 1.350 -6.850 1.00 2.69 H new ATOM 0 HH12 ARG A 41 16.308 0.834 -8.242 1.00 2.69 H new ATOM 0 HH21 ARG A 41 14.063 -1.101 -6.330 1.00 3.64 H new ATOM 0 HH22 ARG A 41 14.502 -0.548 -7.949 1.00 3.64 H new ATOM 439 N PHE A 42 13.598 0.770 -0.147 1.00 0.23 N ATOM 440 CA PHE A 42 12.552 -0.105 0.328 1.00 0.24 C ATOM 441 C PHE A 42 11.397 -0.132 -0.646 1.00 0.19 C ATOM 442 O PHE A 42 10.969 0.903 -1.159 1.00 0.20 O ATOM 443 CB PHE A 42 12.059 0.355 1.702 1.00 0.32 C ATOM 444 CG PHE A 42 13.167 0.680 2.668 1.00 0.33 C ATOM 445 CD1 PHE A 42 14.076 -0.288 3.063 1.00 0.71 C ATOM 446 CD2 PHE A 42 13.290 1.956 3.187 1.00 0.37 C ATOM 447 CE1 PHE A 42 15.084 0.014 3.957 1.00 0.79 C ATOM 448 CE2 PHE A 42 14.299 2.264 4.079 1.00 0.37 C ATOM 449 CZ PHE A 42 15.194 1.293 4.466 1.00 0.46 C ATOM 0 H PHE A 42 13.363 1.762 -0.130 1.00 0.23 H new ATOM 0 HA PHE A 42 12.962 -1.111 0.414 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.430 1.236 1.576 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.432 -0.426 2.133 1.00 0.32 H new ATOM 0 HD1 PHE A 42 13.995 -1.290 2.667 1.00 0.71 H new ATOM 0 HD2 PHE A 42 12.588 2.722 2.891 1.00 0.37 H new ATOM 0 HE1 PHE A 42 15.786 -0.750 4.258 1.00 0.79 H new ATOM 0 HE2 PHE A 42 14.385 3.266 4.472 1.00 0.37 H new ATOM 0 HZ PHE A 42 15.981 1.531 5.166 1.00 0.46 H new ATOM 459 N THR A 43 10.910 -1.327 -0.899 1.00 0.17 N ATOM 460 CA THR A 43 9.770 -1.534 -1.758 1.00 0.17 C ATOM 461 C THR A 43 8.708 -2.270 -0.955 1.00 0.17 C ATOM 462 O THR A 43 9.012 -3.264 -0.289 1.00 0.24 O ATOM 463 CB THR A 43 10.162 -2.361 -3.000 1.00 0.20 C ATOM 464 OG1 THR A 43 11.292 -1.760 -3.653 1.00 0.26 O ATOM 465 CG2 THR A 43 9.003 -2.453 -3.977 1.00 0.25 C ATOM 0 H THR A 43 11.298 -2.187 -0.511 1.00 0.17 H new ATOM 0 HA THR A 43 9.390 -0.574 -2.107 1.00 0.17 H new ATOM 0 HB THR A 43 10.422 -3.367 -2.670 1.00 0.20 H new ATOM 0 HG1 THR A 43 11.536 -2.291 -4.439 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.304 -3.041 -4.844 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.154 -2.933 -3.490 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.718 -1.451 -4.299 1.00 0.25 H new ATOM 473 N PHE A 44 7.479 -1.787 -0.975 1.00 0.14 N ATOM 474 CA PHE A 44 6.433 -2.360 -0.154 1.00 0.12 C ATOM 475 C PHE A 44 5.133 -2.426 -0.959 1.00 0.13 C ATOM 476 O PHE A 44 4.922 -1.615 -1.861 1.00 0.16 O ATOM 477 CB PHE A 44 6.277 -1.505 1.122 1.00 0.14 C ATOM 478 CG PHE A 44 4.866 -1.301 1.563 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.133 -2.344 2.086 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.267 -0.067 1.427 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.827 -2.162 2.466 1.00 0.16 C ATOM 482 CE2 PHE A 44 2.960 0.121 1.805 1.00 0.17 C ATOM 483 CZ PHE A 44 2.238 -0.931 2.321 1.00 0.15 C ATOM 0 H PHE A 44 7.183 -0.999 -1.551 1.00 0.14 H new ATOM 0 HA PHE A 44 6.689 -3.377 0.145 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.832 -1.979 1.931 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.735 -0.531 0.949 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.591 -3.315 2.198 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.830 0.759 1.020 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.264 -2.986 2.878 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.500 1.092 1.698 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.208 -0.788 2.612 1.00 0.15 H new ATOM 493 N GLY A 45 4.276 -3.392 -0.642 1.00 0.13 N ATOM 494 CA GLY A 45 3.009 -3.524 -1.337 1.00 0.17 C ATOM 495 C GLY A 45 1.836 -3.535 -0.381 1.00 0.15 C ATOM 496 O GLY A 45 1.878 -4.220 0.643 1.00 0.15 O ATOM 0 H GLY A 45 4.438 -4.088 0.086 1.00 0.13 H new ATOM 0 HA2 GLY A 45 2.895 -2.700 -2.042 1.00 0.17 H new ATOM 0 HA3 GLY A 45 3.010 -4.445 -1.920 1.00 0.17 H new ATOM 500 N VAL A 46 0.773 -2.815 -0.724 1.00 0.15 N ATOM 501 CA VAL A 46 -0.391 -2.696 0.150 1.00 0.15 C ATOM 502 C VAL A 46 -1.532 -3.508 -0.423 1.00 0.14 C ATOM 503 O VAL A 46 -1.570 -3.765 -1.625 1.00 0.19 O ATOM 504 CB VAL A 46 -0.912 -1.246 0.252 1.00 0.23 C ATOM 505 CG1 VAL A 46 -1.519 -0.988 1.618 1.00 0.80 C ATOM 506 CG2 VAL A 46 0.165 -0.233 -0.072 1.00 0.76 C ATOM 0 H VAL A 46 0.693 -2.304 -1.603 1.00 0.15 H new ATOM 0 HA VAL A 46 -0.073 -3.042 1.133 1.00 0.15 H new ATOM 0 HB VAL A 46 -1.695 -1.126 -0.497 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -1.880 0.039 1.668 1.00 0.80 H new ATOM 0 HG12 VAL A 46 -2.351 -1.673 1.782 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -0.763 -1.145 2.388 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -0.245 0.773 0.012 1.00 0.76 H new ATOM 0 HG22 VAL A 46 0.994 -0.347 0.627 1.00 0.76 H new ATOM 0 HG23 VAL A 46 0.523 -0.395 -1.089 1.00 0.76 H new ATOM 516 N ARG A 47 -2.467 -3.904 0.417 1.00 0.15 N ATOM 517 CA ARG A 47 -3.688 -4.519 -0.052 1.00 0.18 C ATOM 518 C ARG A 47 -4.811 -4.174 0.912 1.00 0.15 C ATOM 519 O ARG A 47 -4.574 -3.992 2.110 1.00 0.19 O ATOM 520 CB ARG A 47 -3.529 -6.039 -0.218 1.00 0.33 C ATOM 521 CG ARG A 47 -2.955 -6.762 0.989 1.00 0.66 C ATOM 522 CD ARG A 47 -2.630 -8.206 0.647 1.00 1.02 C ATOM 523 NE ARG A 47 -2.047 -8.926 1.774 1.00 1.43 N ATOM 524 CZ ARG A 47 -1.134 -9.887 1.649 1.00 1.85 C ATOM 525 NH1 ARG A 47 -0.688 -10.235 0.449 1.00 1.99 N ATOM 526 NH2 ARG A 47 -0.671 -10.501 2.725 1.00 2.62 N ATOM 0 H ARG A 47 -2.402 -3.810 1.431 1.00 0.15 H new ATOM 0 HA ARG A 47 -3.931 -4.128 -1.040 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.504 -6.468 -0.449 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -2.885 -6.230 -1.077 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -2.054 -6.252 1.329 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.669 -6.730 1.812 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -3.539 -8.714 0.326 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -1.937 -8.230 -0.194 1.00 1.02 H new ATOM 0 HE ARG A 47 -2.357 -8.678 2.714 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -1.045 -9.766 -0.383 1.00 1.99 H new ATOM 0 HH12 ARG A 47 0.012 -10.972 0.359 1.00 1.99 H new ATOM 0 HH21 ARG A 47 -1.013 -10.238 3.649 1.00 2.62 H new ATOM 0 HH22 ARG A 47 0.028 -11.237 2.631 1.00 2.62 H new ATOM 540 N VAL A 48 -6.013 -4.051 0.382 1.00 0.13 N ATOM 541 CA VAL A 48 -7.175 -3.667 1.177 1.00 0.13 C ATOM 542 C VAL A 48 -8.288 -4.700 1.023 1.00 0.12 C ATOM 543 O VAL A 48 -8.360 -5.389 0.005 1.00 0.13 O ATOM 544 CB VAL A 48 -7.680 -2.271 0.748 1.00 0.15 C ATOM 545 CG1 VAL A 48 -8.989 -1.910 1.422 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.639 -1.215 1.062 1.00 0.22 C ATOM 0 H VAL A 48 -6.216 -4.212 -0.605 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.880 -3.626 2.225 1.00 0.13 H new ATOM 0 HB VAL A 48 -7.854 -2.307 -0.327 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.308 -0.921 1.092 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.750 -2.644 1.156 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.852 -1.905 2.503 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -7.009 -0.237 0.754 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.440 -1.207 2.134 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.718 -1.441 0.524 1.00 0.22 H new ATOM 556 N ASN A 49 -9.146 -4.812 2.032 1.00 0.13 N ATOM 557 CA ASN A 49 -10.239 -5.768 1.996 1.00 0.15 C ATOM 558 C ASN A 49 -11.498 -5.095 1.457 1.00 0.16 C ATOM 559 O ASN A 49 -12.354 -4.635 2.211 1.00 0.18 O ATOM 560 CB ASN A 49 -10.502 -6.352 3.385 1.00 0.20 C ATOM 561 CG ASN A 49 -11.432 -7.553 3.339 1.00 0.66 C ATOM 562 OD1 ASN A 49 -10.983 -8.695 3.223 1.00 1.59 O ATOM 563 ND2 ASN A 49 -12.731 -7.307 3.434 1.00 1.21 N ATOM 0 H ASN A 49 -9.103 -4.251 2.883 1.00 0.13 H new ATOM 0 HA ASN A 49 -9.960 -6.588 1.334 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.555 -6.646 3.838 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -10.937 -5.583 4.024 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -13.399 -8.078 3.412 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -13.063 -6.347 3.529 1.00 1.21 H new ATOM 570 N THR A 50 -11.574 -5.045 0.143 1.00 0.17 N ATOM 571 CA THR A 50 -12.744 -4.477 -0.517 1.00 0.21 C ATOM 572 C THR A 50 -13.924 -5.406 -0.313 1.00 0.25 C ATOM 573 O THR A 50 -13.990 -6.457 -0.916 1.00 0.33 O ATOM 574 CB THR A 50 -12.533 -4.195 -2.019 1.00 0.27 C ATOM 575 OG1 THR A 50 -12.014 -5.349 -2.693 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.597 -3.015 -2.218 1.00 0.29 C ATOM 0 H THR A 50 -10.850 -5.386 -0.489 1.00 0.17 H new ATOM 0 HA THR A 50 -12.934 -3.506 -0.059 1.00 0.21 H new ATOM 0 HB THR A 50 -13.504 -3.951 -2.449 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.688 -5.995 -2.032 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.462 -2.833 -3.284 1.00 0.29 H new ATOM 0 HG22 THR A 50 -12.025 -2.128 -1.750 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.632 -3.235 -1.762 1.00 0.29 H new ATOM 584 N SER A 51 -14.837 -5.011 0.559 1.00 0.25 N ATOM 585 CA SER A 51 -15.909 -5.883 1.038 1.00 0.30 C ATOM 586 C SER A 51 -16.562 -6.695 -0.087 1.00 0.33 C ATOM 587 O SER A 51 -16.784 -7.897 0.062 1.00 0.42 O ATOM 588 CB SER A 51 -16.963 -5.043 1.761 1.00 0.35 C ATOM 589 OG SER A 51 -17.903 -5.857 2.439 1.00 1.32 O ATOM 0 H SER A 51 -14.860 -4.073 0.959 1.00 0.25 H new ATOM 0 HA SER A 51 -15.463 -6.602 1.725 1.00 0.30 H new ATOM 0 HB2 SER A 51 -16.474 -4.380 2.474 1.00 0.35 H new ATOM 0 HB3 SER A 51 -17.481 -4.410 1.041 1.00 0.35 H new ATOM 0 HG SER A 51 -18.561 -5.289 2.891 1.00 1.32 H new ATOM 595 N ASP A 52 -16.843 -6.046 -1.207 1.00 0.33 N ATOM 596 CA ASP A 52 -17.551 -6.694 -2.307 1.00 0.41 C ATOM 597 C ASP A 52 -16.637 -7.549 -3.196 1.00 0.31 C ATOM 598 O ASP A 52 -17.126 -8.244 -4.085 1.00 0.37 O ATOM 599 CB ASP A 52 -18.277 -5.653 -3.159 1.00 0.64 C ATOM 600 CG ASP A 52 -17.338 -4.742 -3.923 1.00 0.82 C ATOM 601 OD1 ASP A 52 -16.638 -3.929 -3.282 1.00 0.85 O ATOM 602 OD2 ASP A 52 -17.272 -4.853 -5.165 1.00 1.30 O ATOM 0 H ASP A 52 -16.593 -5.072 -1.380 1.00 0.33 H new ATOM 0 HA ASP A 52 -18.273 -7.371 -1.850 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -18.931 -6.164 -3.866 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -18.915 -5.048 -2.515 1.00 0.64 H new ATOM 607 N ARG A 53 -15.326 -7.515 -2.976 1.00 0.28 N ATOM 608 CA ARG A 53 -14.403 -8.307 -3.796 1.00 0.28 C ATOM 609 C ARG A 53 -13.390 -9.060 -2.933 1.00 0.24 C ATOM 610 O ARG A 53 -13.180 -10.260 -3.104 1.00 0.29 O ATOM 611 CB ARG A 53 -13.657 -7.417 -4.791 1.00 0.42 C ATOM 612 CG ARG A 53 -14.555 -6.742 -5.807 1.00 1.14 C ATOM 613 CD ARG A 53 -13.742 -5.900 -6.768 1.00 1.45 C ATOM 614 NE ARG A 53 -12.840 -6.715 -7.581 1.00 2.15 N ATOM 615 CZ ARG A 53 -12.205 -6.264 -8.660 1.00 2.81 C ATOM 616 NH1 ARG A 53 -12.378 -5.008 -9.053 1.00 3.05 N ATOM 617 NH2 ARG A 53 -11.400 -7.067 -9.346 1.00 3.68 N ATOM 0 H ARG A 53 -14.879 -6.957 -2.248 1.00 0.28 H new ATOM 0 HA ARG A 53 -15.005 -9.034 -4.342 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -13.110 -6.652 -4.240 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -12.918 -8.020 -5.318 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -15.115 -7.495 -6.361 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -15.284 -6.115 -5.294 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -14.414 -5.343 -7.420 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -13.162 -5.167 -6.207 1.00 1.45 H new ATOM 0 HE ARG A 53 -12.689 -7.685 -7.305 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -12.997 -4.390 -8.528 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -11.892 -4.661 -9.880 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -11.267 -8.033 -9.046 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -10.915 -6.718 -10.173 1.00 3.68 H new ATOM 631 N GLY A 54 -12.777 -8.345 -2.006 1.00 0.18 N ATOM 632 CA GLY A 54 -11.815 -8.938 -1.108 1.00 0.19 C ATOM 633 C GLY A 54 -10.475 -8.247 -1.156 1.00 0.17 C ATOM 634 O GLY A 54 -10.397 -7.055 -1.457 1.00 0.17 O ATOM 0 H GLY A 54 -12.933 -7.348 -1.859 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.203 -8.901 -0.090 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.687 -9.990 -1.362 1.00 0.19 H new ATOM 638 N TRP A 55 -9.432 -8.991 -0.824 1.00 0.18 N ATOM 639 CA TRP A 55 -8.070 -8.493 -0.945 1.00 0.18 C ATOM 640 C TRP A 55 -7.818 -7.950 -2.347 1.00 0.19 C ATOM 641 O TRP A 55 -7.907 -8.683 -3.335 1.00 0.24 O ATOM 642 CB TRP A 55 -7.054 -9.591 -0.631 1.00 0.24 C ATOM 643 CG TRP A 55 -6.717 -9.720 0.825 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.680 -10.869 1.558 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.356 -8.663 1.722 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.307 -10.591 2.849 1.00 0.39 N ATOM 647 CE2 TRP A 55 -6.106 -9.243 2.975 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.219 -7.284 1.587 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -5.723 -8.487 4.081 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.842 -6.540 2.687 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.595 -7.140 3.917 1.00 0.27 C ATOM 0 H TRP A 55 -9.502 -9.944 -0.468 1.00 0.18 H new ATOM 0 HA TRP A 55 -7.949 -7.686 -0.222 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.444 -10.544 -0.988 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -6.138 -9.393 -1.188 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -6.910 -11.853 1.178 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -6.197 -11.278 3.595 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.405 -6.804 0.637 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.534 -8.953 5.037 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.737 -5.470 2.590 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -5.297 -6.529 4.756 1.00 0.27 H new ATOM 662 N THR A 56 -7.527 -6.662 -2.420 1.00 0.18 N ATOM 663 CA THR A 56 -7.235 -6.005 -3.685 1.00 0.22 C ATOM 664 C THR A 56 -5.914 -6.488 -4.264 1.00 0.26 C ATOM 665 O THR A 56 -5.148 -7.190 -3.595 1.00 0.36 O ATOM 666 CB THR A 56 -7.167 -4.478 -3.511 1.00 0.22 C ATOM 667 OG1 THR A 56 -6.259 -4.141 -2.451 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.536 -3.902 -3.212 1.00 0.24 C ATOM 0 H THR A 56 -7.486 -6.044 -1.609 1.00 0.18 H new ATOM 0 HA THR A 56 -8.045 -6.259 -4.369 1.00 0.22 H new ATOM 0 HB THR A 56 -6.808 -4.048 -4.446 1.00 0.22 H new ATOM 0 HG1 THR A 56 -6.222 -3.167 -2.350 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.458 -2.821 -3.094 1.00 0.24 H new ATOM 0 HG22 THR A 56 -9.214 -4.129 -4.035 1.00 0.24 H new ATOM 0 HG23 THR A 56 -8.922 -4.341 -2.292 1.00 0.24 H new ATOM 676 N ASP A 57 -5.648 -6.117 -5.509 1.00 0.30 N ATOM 677 CA ASP A 57 -4.348 -6.378 -6.099 1.00 0.34 C ATOM 678 C ASP A 57 -3.297 -5.630 -5.308 1.00 0.23 C ATOM 679 O ASP A 57 -3.445 -4.434 -5.039 1.00 0.35 O ATOM 680 CB ASP A 57 -4.289 -5.948 -7.564 1.00 0.49 C ATOM 681 CG ASP A 57 -5.210 -6.753 -8.453 1.00 0.93 C ATOM 682 OD1 ASP A 57 -5.016 -7.980 -8.563 1.00 1.84 O ATOM 683 OD2 ASP A 57 -6.129 -6.160 -9.056 1.00 0.98 O ATOM 0 H ASP A 57 -6.309 -5.640 -6.122 1.00 0.30 H new ATOM 0 HA ASP A 57 -4.165 -7.452 -6.066 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -4.552 -4.893 -7.638 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -3.265 -6.048 -7.925 1.00 0.49 H new ATOM 688 N GLU A 58 -2.259 -6.339 -4.915 1.00 0.27 N ATOM 689 CA GLU A 58 -1.220 -5.768 -4.084 1.00 0.27 C ATOM 690 C GLU A 58 -0.553 -4.601 -4.789 1.00 0.23 C ATOM 691 O GLU A 58 0.008 -4.744 -5.877 1.00 0.28 O ATOM 692 CB GLU A 58 -0.202 -6.833 -3.695 1.00 0.42 C ATOM 693 CG GLU A 58 0.959 -6.312 -2.870 1.00 0.44 C ATOM 694 CD GLU A 58 1.853 -7.430 -2.385 1.00 0.67 C ATOM 695 OE1 GLU A 58 2.476 -8.105 -3.234 1.00 0.83 O ATOM 696 OE2 GLU A 58 1.917 -7.660 -1.161 1.00 1.00 O ATOM 0 H GLU A 58 -2.112 -7.318 -5.160 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.675 -5.389 -3.169 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.710 -7.617 -3.133 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.189 -7.294 -4.602 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.544 -5.613 -3.468 1.00 0.44 H new ATOM 0 HG3 GLU A 58 0.576 -5.757 -2.014 1.00 0.44 H new ATOM 703 N CYS A 59 -0.645 -3.449 -4.161 1.00 0.19 N ATOM 704 CA CYS A 59 -0.143 -2.215 -4.733 1.00 0.20 C ATOM 705 C CYS A 59 1.285 -1.971 -4.283 1.00 0.17 C ATOM 706 O CYS A 59 1.523 -1.492 -3.174 1.00 0.17 O ATOM 707 CB CYS A 59 -1.031 -1.045 -4.314 1.00 0.27 C ATOM 708 SG CYS A 59 -2.782 -1.301 -4.673 1.00 0.36 S ATOM 0 H CYS A 59 -1.069 -3.340 -3.240 1.00 0.19 H new ATOM 0 HA CYS A 59 -0.158 -2.300 -5.820 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -0.909 -0.872 -3.245 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.693 -0.143 -4.823 1.00 0.27 H new ATOM 0 HG CYS A 59 -3.018 -2.573 -4.796 1.00 0.36 H new ATOM 714 N ILE A 60 2.224 -2.323 -5.139 1.00 0.18 N ATOM 715 CA ILE A 60 3.629 -2.139 -4.854 1.00 0.16 C ATOM 716 C ILE A 60 4.032 -0.694 -5.122 1.00 0.16 C ATOM 717 O ILE A 60 3.828 -0.177 -6.223 1.00 0.18 O ATOM 718 CB ILE A 60 4.484 -3.081 -5.729 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.105 -4.543 -5.491 1.00 0.44 C ATOM 720 CG2 ILE A 60 5.958 -2.862 -5.460 1.00 0.27 C ATOM 721 CD1 ILE A 60 4.533 -5.063 -4.144 1.00 0.74 C ATOM 0 H ILE A 60 2.033 -2.743 -6.049 1.00 0.18 H new ATOM 0 HA ILE A 60 3.801 -2.375 -3.804 1.00 0.16 H new ATOM 0 HB ILE A 60 4.284 -2.847 -6.775 1.00 0.21 H new ATOM 0 HG12 ILE A 60 3.024 -4.650 -5.586 1.00 0.44 H new ATOM 0 HG13 ILE A 60 4.556 -5.158 -6.269 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.546 -3.534 -6.085 1.00 0.27 H new ATOM 0 HG22 ILE A 60 6.220 -1.830 -5.691 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.170 -3.064 -4.410 1.00 0.27 H new ATOM 0 HD11 ILE A 60 4.232 -6.106 -4.044 1.00 0.74 H new ATOM 0 HD12 ILE A 60 5.617 -4.988 -4.053 1.00 0.74 H new ATOM 0 HD13 ILE A 60 4.061 -4.472 -3.359 1.00 0.74 H new ATOM 733 N GLY A 61 4.591 -0.047 -4.110 1.00 0.16 N ATOM 734 CA GLY A 61 5.031 1.323 -4.257 1.00 0.20 C ATOM 735 C GLY A 61 6.391 1.420 -4.905 1.00 0.21 C ATOM 736 O GLY A 61 6.962 0.409 -5.326 1.00 0.23 O ATOM 0 H GLY A 61 4.748 -0.449 -3.186 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.305 1.873 -4.856 1.00 0.20 H new ATOM 0 HA3 GLY A 61 5.063 1.800 -3.277 1.00 0.20 H new ATOM 740 N GLU A 62 6.919 2.626 -4.984 1.00 0.27 N ATOM 741 CA GLU A 62 8.220 2.845 -5.578 1.00 0.31 C ATOM 742 C GLU A 62 9.306 2.587 -4.545 1.00 0.25 C ATOM 743 O GLU A 62 9.069 2.723 -3.345 1.00 0.29 O ATOM 744 CB GLU A 62 8.326 4.275 -6.110 1.00 0.47 C ATOM 745 CG GLU A 62 7.363 4.574 -7.245 1.00 0.79 C ATOM 746 CD GLU A 62 7.581 5.948 -7.844 1.00 1.07 C ATOM 747 OE1 GLU A 62 8.548 6.121 -8.615 1.00 1.37 O ATOM 748 OE2 GLU A 62 6.786 6.866 -7.546 1.00 1.32 O ATOM 0 H GLU A 62 6.463 3.472 -4.642 1.00 0.27 H new ATOM 0 HA GLU A 62 8.350 2.155 -6.412 1.00 0.31 H new ATOM 0 HB2 GLU A 62 8.140 4.972 -5.293 1.00 0.47 H new ATOM 0 HB3 GLU A 62 9.345 4.451 -6.453 1.00 0.47 H new ATOM 0 HG2 GLU A 62 7.478 3.820 -8.023 1.00 0.79 H new ATOM 0 HG3 GLU A 62 6.339 4.499 -6.878 1.00 0.79 H new ATOM 755 N PRO A 63 10.501 2.179 -4.994 1.00 0.24 N ATOM 756 CA PRO A 63 11.644 1.978 -4.105 1.00 0.24 C ATOM 757 C PRO A 63 12.082 3.288 -3.466 1.00 0.21 C ATOM 758 O PRO A 63 12.644 4.162 -4.132 1.00 0.24 O ATOM 759 CB PRO A 63 12.736 1.435 -5.031 1.00 0.32 C ATOM 760 CG PRO A 63 12.328 1.859 -6.401 1.00 0.51 C ATOM 761 CD PRO A 63 10.828 1.872 -6.398 1.00 0.30 C ATOM 0 HA PRO A 63 11.415 1.306 -3.278 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.713 1.839 -4.768 1.00 0.32 H new ATOM 0 HB3 PRO A 63 12.810 0.350 -4.960 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.727 2.845 -6.640 1.00 0.51 H new ATOM 0 HG3 PRO A 63 12.711 1.170 -7.153 1.00 0.51 H new ATOM 0 HD2 PRO A 63 10.430 2.624 -7.079 1.00 0.30 H new ATOM 0 HD3 PRO A 63 10.416 0.912 -6.708 1.00 0.30 H new ATOM 769 N MET A 64 11.835 3.421 -2.174 1.00 0.19 N ATOM 770 CA MET A 64 12.077 4.671 -1.475 1.00 0.20 C ATOM 771 C MET A 64 13.170 4.474 -0.436 1.00 0.21 C ATOM 772 O MET A 64 13.225 3.434 0.212 1.00 0.26 O ATOM 773 CB MET A 64 10.796 5.164 -0.803 1.00 0.24 C ATOM 774 CG MET A 64 9.620 5.282 -1.757 1.00 0.32 C ATOM 775 SD MET A 64 9.938 6.379 -3.156 1.00 0.62 S ATOM 776 CE MET A 64 9.927 7.972 -2.346 1.00 0.67 C ATOM 0 H MET A 64 11.465 2.674 -1.586 1.00 0.19 H new ATOM 0 HA MET A 64 12.399 5.422 -2.197 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.532 4.481 0.004 1.00 0.24 H new ATOM 0 HB3 MET A 64 10.984 6.137 -0.348 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.366 4.291 -2.133 1.00 0.32 H new ATOM 0 HG3 MET A 64 8.752 5.647 -1.208 1.00 0.32 H new ATOM 0 HE1 MET A 64 9.497 8.717 -3.015 1.00 0.67 H new ATOM 0 HE2 MET A 64 9.330 7.913 -1.436 1.00 0.67 H new ATOM 0 HE3 MET A 64 10.948 8.258 -2.092 1.00 0.67 H new ATOM 786 N PRO A 65 14.055 5.463 -0.259 1.00 0.23 N ATOM 787 CA PRO A 65 15.192 5.350 0.661 1.00 0.26 C ATOM 788 C PRO A 65 14.816 5.566 2.128 1.00 0.25 C ATOM 789 O PRO A 65 15.683 5.823 2.967 1.00 0.27 O ATOM 790 CB PRO A 65 16.126 6.456 0.179 1.00 0.31 C ATOM 791 CG PRO A 65 15.217 7.497 -0.376 1.00 0.32 C ATOM 792 CD PRO A 65 14.036 6.764 -0.955 1.00 0.29 C ATOM 0 HA PRO A 65 15.625 4.350 0.644 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.729 6.851 0.997 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.818 6.089 -0.579 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.900 8.191 0.402 1.00 0.32 H new ATOM 0 HG3 PRO A 65 15.722 8.086 -1.142 1.00 0.32 H new ATOM 0 HD2 PRO A 65 13.104 7.301 -0.775 1.00 0.29 H new ATOM 0 HD3 PRO A 65 14.130 6.642 -2.034 1.00 0.29 H new ATOM 800 N SER A 66 13.530 5.457 2.440 1.00 0.23 N ATOM 801 CA SER A 66 13.046 5.598 3.803 1.00 0.24 C ATOM 802 C SER A 66 11.728 4.844 3.951 1.00 0.22 C ATOM 803 O SER A 66 10.883 4.868 3.054 1.00 0.20 O ATOM 804 CB SER A 66 12.863 7.080 4.147 1.00 0.29 C ATOM 805 OG SER A 66 12.084 7.248 5.320 1.00 1.30 O ATOM 0 H SER A 66 12.797 5.269 1.756 1.00 0.23 H new ATOM 0 HA SER A 66 13.775 5.176 4.494 1.00 0.24 H new ATOM 0 HB2 SER A 66 13.839 7.545 4.287 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.382 7.592 3.313 1.00 0.29 H new ATOM 0 HG SER A 66 11.987 8.204 5.514 1.00 1.30 H new ATOM 811 N VAL A 67 11.568 4.176 5.087 1.00 0.25 N ATOM 812 CA VAL A 67 10.423 3.302 5.321 1.00 0.26 C ATOM 813 C VAL A 67 9.136 4.110 5.456 1.00 0.25 C ATOM 814 O VAL A 67 8.042 3.607 5.196 1.00 0.29 O ATOM 815 CB VAL A 67 10.613 2.444 6.595 1.00 0.37 C ATOM 816 CG1 VAL A 67 9.506 1.408 6.723 1.00 1.14 C ATOM 817 CG2 VAL A 67 11.976 1.771 6.599 1.00 1.08 C ATOM 0 H VAL A 67 12.223 4.223 5.868 1.00 0.25 H new ATOM 0 HA VAL A 67 10.350 2.642 4.457 1.00 0.26 H new ATOM 0 HB VAL A 67 10.559 3.110 7.456 1.00 0.37 H new ATOM 0 HG11 VAL A 67 9.662 0.818 7.626 1.00 1.14 H new ATOM 0 HG12 VAL A 67 8.541 1.912 6.781 1.00 1.14 H new ATOM 0 HG13 VAL A 67 9.520 0.751 5.853 1.00 1.14 H new ATOM 0 HG21 VAL A 67 12.084 1.174 7.505 1.00 1.08 H new ATOM 0 HG22 VAL A 67 12.065 1.125 5.726 1.00 1.08 H new ATOM 0 HG23 VAL A 67 12.757 2.531 6.569 1.00 1.08 H new ATOM 827 N LYS A 68 9.272 5.374 5.833 1.00 0.29 N ATOM 828 CA LYS A 68 8.115 6.225 6.070 1.00 0.32 C ATOM 829 C LYS A 68 7.474 6.624 4.746 1.00 0.30 C ATOM 830 O LYS A 68 6.250 6.581 4.593 1.00 0.33 O ATOM 831 CB LYS A 68 8.536 7.471 6.851 1.00 0.41 C ATOM 832 CG LYS A 68 9.244 7.160 8.159 1.00 1.12 C ATOM 833 CD LYS A 68 8.300 6.542 9.175 1.00 1.56 C ATOM 834 CE LYS A 68 9.050 6.033 10.394 1.00 2.37 C ATOM 835 NZ LYS A 68 9.853 7.096 11.052 1.00 2.82 N ATOM 0 H LYS A 68 10.171 5.832 5.981 1.00 0.29 H new ATOM 0 HA LYS A 68 7.383 5.671 6.657 1.00 0.32 H new ATOM 0 HB2 LYS A 68 9.194 8.076 6.227 1.00 0.41 H new ATOM 0 HB3 LYS A 68 7.652 8.074 7.060 1.00 0.41 H new ATOM 0 HG2 LYS A 68 10.073 6.478 7.971 1.00 1.12 H new ATOM 0 HG3 LYS A 68 9.671 8.076 8.569 1.00 1.12 H new ATOM 0 HD2 LYS A 68 7.561 7.282 9.484 1.00 1.56 H new ATOM 0 HD3 LYS A 68 7.754 5.720 8.713 1.00 1.56 H new ATOM 0 HE2 LYS A 68 8.338 5.624 11.111 1.00 2.37 H new ATOM 0 HE3 LYS A 68 9.708 5.216 10.097 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 10.236 6.737 11.950 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 10.637 7.375 10.428 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 9.249 7.922 11.239 1.00 2.82 H new ATOM 849 N LYS A 69 8.312 6.989 3.781 1.00 0.29 N ATOM 850 CA LYS A 69 7.835 7.376 2.460 1.00 0.32 C ATOM 851 C LYS A 69 7.557 6.145 1.608 1.00 0.24 C ATOM 852 O LYS A 69 6.853 6.226 0.604 1.00 0.24 O ATOM 853 CB LYS A 69 8.824 8.313 1.760 1.00 0.47 C ATOM 854 CG LYS A 69 10.276 7.910 1.927 1.00 0.57 C ATOM 855 CD LYS A 69 11.221 8.860 1.201 1.00 0.45 C ATOM 856 CE LYS A 69 11.157 10.281 1.755 1.00 0.90 C ATOM 857 NZ LYS A 69 11.620 10.366 3.167 1.00 1.36 N ATOM 0 H LYS A 69 9.326 7.025 3.890 1.00 0.29 H new ATOM 0 HA LYS A 69 6.901 7.922 2.590 1.00 0.32 H new ATOM 0 HB2 LYS A 69 8.587 8.347 0.697 1.00 0.47 H new ATOM 0 HB3 LYS A 69 8.690 9.322 2.149 1.00 0.47 H new ATOM 0 HG2 LYS A 69 10.527 7.890 2.988 1.00 0.57 H new ATOM 0 HG3 LYS A 69 10.417 6.898 1.547 1.00 0.57 H new ATOM 0 HD2 LYS A 69 12.242 8.486 1.284 1.00 0.45 H new ATOM 0 HD3 LYS A 69 10.972 8.875 0.140 1.00 0.45 H new ATOM 0 HE2 LYS A 69 11.769 10.936 1.136 1.00 0.90 H new ATOM 0 HE3 LYS A 69 10.132 10.647 1.690 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 11.669 11.364 3.457 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 10.952 9.859 3.782 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 12.563 9.934 3.250 1.00 1.36 H new ATOM 871 N ALA A 70 8.121 5.005 2.008 1.00 0.21 N ATOM 872 CA ALA A 70 7.840 3.736 1.346 1.00 0.19 C ATOM 873 C ALA A 70 6.356 3.407 1.432 1.00 0.16 C ATOM 874 O ALA A 70 5.697 3.217 0.408 1.00 0.17 O ATOM 875 CB ALA A 70 8.672 2.618 1.956 1.00 0.21 C ATOM 0 H ALA A 70 8.775 4.937 2.788 1.00 0.21 H new ATOM 0 HA ALA A 70 8.111 3.829 0.294 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.448 1.680 1.449 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.731 2.849 1.842 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.434 2.524 3.015 1.00 0.21 H new ATOM 881 N LYS A 71 5.830 3.335 2.662 1.00 0.15 N ATOM 882 CA LYS A 71 4.403 3.140 2.895 1.00 0.17 C ATOM 883 C LYS A 71 3.595 4.183 2.128 1.00 0.16 C ATOM 884 O LYS A 71 2.645 3.852 1.420 1.00 0.17 O ATOM 885 CB LYS A 71 4.098 3.264 4.392 1.00 0.29 C ATOM 886 CG LYS A 71 4.889 2.308 5.274 1.00 0.92 C ATOM 887 CD LYS A 71 4.691 2.638 6.747 1.00 1.29 C ATOM 888 CE LYS A 71 5.512 1.732 7.655 1.00 1.99 C ATOM 889 NZ LYS A 71 5.038 0.323 7.626 1.00 2.42 N ATOM 0 H LYS A 71 6.383 3.410 3.516 1.00 0.15 H new ATOM 0 HA LYS A 71 4.126 2.145 2.547 1.00 0.17 H new ATOM 0 HB2 LYS A 71 4.303 4.286 4.709 1.00 0.29 H new ATOM 0 HB3 LYS A 71 3.034 3.089 4.550 1.00 0.29 H new ATOM 0 HG2 LYS A 71 4.573 1.283 5.081 1.00 0.92 H new ATOM 0 HG3 LYS A 71 5.948 2.367 5.023 1.00 0.92 H new ATOM 0 HD2 LYS A 71 4.969 3.677 6.925 1.00 1.29 H new ATOM 0 HD3 LYS A 71 3.635 2.543 7.000 1.00 1.29 H new ATOM 0 HE2 LYS A 71 6.558 1.767 7.350 1.00 1.99 H new ATOM 0 HE3 LYS A 71 5.465 2.108 8.677 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 5.594 -0.244 8.297 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 4.034 0.289 7.893 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 5.154 -0.063 6.667 1.00 2.42 H new ATOM 903 N ASP A 72 3.989 5.446 2.294 1.00 0.19 N ATOM 904 CA ASP A 72 3.335 6.571 1.624 1.00 0.24 C ATOM 905 C ASP A 72 3.212 6.356 0.119 1.00 0.22 C ATOM 906 O ASP A 72 2.122 6.479 -0.435 1.00 0.23 O ATOM 907 CB ASP A 72 4.097 7.868 1.898 1.00 0.32 C ATOM 908 CG ASP A 72 3.479 9.067 1.200 1.00 1.06 C ATOM 909 OD1 ASP A 72 2.406 9.529 1.641 1.00 0.99 O ATOM 910 OD2 ASP A 72 4.070 9.554 0.210 1.00 2.01 O ATOM 0 H ASP A 72 4.768 5.718 2.894 1.00 0.19 H new ATOM 0 HA ASP A 72 2.327 6.643 2.032 1.00 0.24 H new ATOM 0 HB2 ASP A 72 4.122 8.051 2.972 1.00 0.32 H new ATOM 0 HB3 ASP A 72 5.130 7.754 1.570 1.00 0.32 H new ATOM 915 N SER A 73 4.319 6.022 -0.535 1.00 0.21 N ATOM 916 CA SER A 73 4.332 5.836 -1.981 1.00 0.24 C ATOM 917 C SER A 73 3.306 4.790 -2.412 1.00 0.20 C ATOM 918 O SER A 73 2.529 5.014 -3.344 1.00 0.24 O ATOM 919 CB SER A 73 5.738 5.421 -2.438 1.00 0.30 C ATOM 920 OG SER A 73 5.788 5.195 -3.837 1.00 1.14 O ATOM 0 H SER A 73 5.222 5.874 -0.085 1.00 0.21 H new ATOM 0 HA SER A 73 4.064 6.782 -2.452 1.00 0.24 H new ATOM 0 HB2 SER A 73 6.453 6.199 -2.169 1.00 0.30 H new ATOM 0 HB3 SER A 73 6.039 4.515 -1.912 1.00 0.30 H new ATOM 0 HG SER A 73 6.436 5.807 -4.244 1.00 1.14 H new ATOM 926 N ALA A 74 3.288 3.666 -1.715 1.00 0.16 N ATOM 927 CA ALA A 74 2.390 2.580 -2.066 1.00 0.17 C ATOM 928 C ALA A 74 0.937 2.956 -1.774 1.00 0.16 C ATOM 929 O ALA A 74 0.042 2.686 -2.574 1.00 0.17 O ATOM 930 CB ALA A 74 2.782 1.322 -1.318 1.00 0.18 C ATOM 0 H ALA A 74 3.882 3.483 -0.907 1.00 0.16 H new ATOM 0 HA ALA A 74 2.475 2.391 -3.136 1.00 0.17 H new ATOM 0 HB1 ALA A 74 2.103 0.512 -1.587 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.802 1.044 -1.583 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.723 1.503 -0.245 1.00 0.18 H new ATOM 936 N ALA A 75 0.720 3.576 -0.616 1.00 0.18 N ATOM 937 CA ALA A 75 -0.600 4.043 -0.207 1.00 0.21 C ATOM 938 C ALA A 75 -1.227 4.965 -1.254 1.00 0.21 C ATOM 939 O ALA A 75 -2.415 4.851 -1.546 1.00 0.24 O ATOM 940 CB ALA A 75 -0.517 4.751 1.138 1.00 0.26 C ATOM 0 H ALA A 75 1.455 3.768 0.064 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.243 3.168 -0.112 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.509 5.094 1.430 1.00 0.26 H new ATOM 0 HB2 ALA A 75 -0.136 4.060 1.890 1.00 0.26 H new ATOM 0 HB3 ALA A 75 0.154 5.607 1.058 1.00 0.26 H new ATOM 946 N VAL A 76 -0.428 5.858 -1.841 1.00 0.21 N ATOM 947 CA VAL A 76 -0.931 6.807 -2.834 1.00 0.25 C ATOM 948 C VAL A 76 -1.445 6.073 -4.072 1.00 0.20 C ATOM 949 O VAL A 76 -2.441 6.471 -4.679 1.00 0.21 O ATOM 950 CB VAL A 76 0.161 7.824 -3.243 1.00 0.36 C ATOM 951 CG1 VAL A 76 -0.333 8.751 -4.344 1.00 0.77 C ATOM 952 CG2 VAL A 76 0.608 8.634 -2.036 1.00 0.83 C ATOM 0 H VAL A 76 0.569 5.943 -1.646 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.756 7.353 -2.376 1.00 0.25 H new ATOM 0 HB VAL A 76 1.012 7.264 -3.630 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.457 9.454 -4.609 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.605 8.163 -5.220 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -1.205 9.302 -3.992 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.376 9.345 -2.339 1.00 0.83 H new ATOM 0 HG22 VAL A 76 -0.244 9.174 -1.625 1.00 0.83 H new ATOM 0 HG23 VAL A 76 1.013 7.964 -1.278 1.00 0.83 H new ATOM 962 N LEU A 77 -0.783 4.979 -4.412 1.00 0.19 N ATOM 963 CA LEU A 77 -1.175 4.162 -5.549 1.00 0.21 C ATOM 964 C LEU A 77 -2.417 3.355 -5.196 1.00 0.22 C ATOM 965 O LEU A 77 -3.307 3.145 -6.018 1.00 0.28 O ATOM 966 CB LEU A 77 -0.028 3.226 -5.924 1.00 0.26 C ATOM 967 CG LEU A 77 1.284 3.922 -6.282 1.00 0.32 C ATOM 968 CD1 LEU A 77 2.412 2.910 -6.375 1.00 0.39 C ATOM 969 CD2 LEU A 77 1.142 4.677 -7.593 1.00 0.39 C ATOM 0 H LEU A 77 0.036 4.634 -3.911 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.402 4.805 -6.399 1.00 0.21 H new ATOM 0 HB2 LEU A 77 0.154 2.547 -5.091 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.340 2.615 -6.771 1.00 0.26 H new ATOM 0 HG LEU A 77 1.523 4.636 -5.494 1.00 0.32 H new ATOM 0 HD11 LEU A 77 3.340 3.422 -6.631 1.00 0.39 H new ATOM 0 HD12 LEU A 77 2.528 2.406 -5.416 1.00 0.39 H new ATOM 0 HD13 LEU A 77 2.179 2.175 -7.145 1.00 0.39 H new ATOM 0 HD21 LEU A 77 2.085 5.167 -7.834 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.882 3.979 -8.389 1.00 0.39 H new ATOM 0 HD23 LEU A 77 0.357 5.427 -7.498 1.00 0.39 H new ATOM 981 N LEU A 78 -2.459 2.921 -3.947 1.00 0.22 N ATOM 982 CA LEU A 78 -3.574 2.160 -3.411 1.00 0.27 C ATOM 983 C LEU A 78 -4.850 2.998 -3.386 1.00 0.27 C ATOM 984 O LEU A 78 -5.930 2.522 -3.735 1.00 0.29 O ATOM 985 CB LEU A 78 -3.214 1.712 -2.003 1.00 0.36 C ATOM 986 CG LEU A 78 -4.351 1.117 -1.190 1.00 0.35 C ATOM 987 CD1 LEU A 78 -4.692 -0.278 -1.691 1.00 0.77 C ATOM 988 CD2 LEU A 78 -3.970 1.104 0.279 1.00 0.81 C ATOM 0 H LEU A 78 -1.713 3.089 -3.271 1.00 0.22 H new ATOM 0 HA LEU A 78 -3.761 1.295 -4.048 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.415 0.974 -2.070 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -2.813 2.568 -1.460 1.00 0.36 H new ATOM 0 HG LEU A 78 -5.243 1.732 -1.309 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -5.508 -0.688 -1.097 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -4.995 -0.225 -2.737 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.817 -0.922 -1.599 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.786 0.677 0.863 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -3.072 0.502 0.417 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -3.779 2.123 0.614 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.713 4.246 -2.965 1.00 0.30 N ATOM 1001 CA LEU A 79 -5.842 5.163 -2.912 1.00 0.38 C ATOM 1002 C LEU A 79 -6.420 5.418 -4.299 1.00 0.34 C ATOM 1003 O LEU A 79 -7.571 5.830 -4.430 1.00 0.37 O ATOM 1004 CB LEU A 79 -5.438 6.479 -2.252 1.00 0.48 C ATOM 1005 CG LEU A 79 -5.735 6.571 -0.753 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -4.982 5.501 0.021 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -5.392 7.955 -0.229 1.00 1.08 C ATOM 0 H LEU A 79 -3.829 4.648 -2.654 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.619 4.694 -2.308 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -4.370 6.631 -2.405 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -5.952 7.295 -2.759 1.00 0.48 H new ATOM 0 HG LEU A 79 -6.802 6.400 -0.607 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -5.212 5.590 1.083 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -5.283 4.515 -0.334 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -3.910 5.629 -0.130 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -5.609 8.004 0.838 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -4.333 8.154 -0.394 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -5.988 8.701 -0.755 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.622 5.172 -5.329 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.107 5.274 -6.697 1.00 0.33 C ATOM 1021 C GLU A 80 -6.956 4.061 -7.046 1.00 0.27 C ATOM 1022 O GLU A 80 -7.984 4.183 -7.709 1.00 0.30 O ATOM 1023 CB GLU A 80 -4.951 5.400 -7.681 1.00 0.43 C ATOM 1024 CG GLU A 80 -4.119 6.650 -7.478 1.00 0.80 C ATOM 1025 CD GLU A 80 -3.295 6.992 -8.696 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -2.193 6.438 -8.853 1.00 2.13 O ATOM 1027 OE2 GLU A 80 -3.756 7.818 -9.512 1.00 1.86 O ATOM 0 H GLU A 80 -4.642 4.902 -5.244 1.00 0.30 H new ATOM 0 HA GLU A 80 -6.719 6.173 -6.771 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -4.307 4.525 -7.587 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -5.347 5.397 -8.697 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -4.776 7.487 -7.239 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -3.458 6.509 -6.623 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.534 2.897 -6.562 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.254 1.657 -6.784 1.00 0.24 C ATOM 1036 C LEU A 81 -8.593 1.724 -6.064 1.00 0.25 C ATOM 1037 O LEU A 81 -9.631 1.335 -6.592 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.430 0.495 -6.237 1.00 0.31 C ATOM 1039 CG LEU A 81 -6.452 -0.785 -7.064 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -5.563 -1.835 -6.422 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -7.868 -1.320 -7.226 1.00 1.17 C ATOM 0 H LEU A 81 -5.685 2.791 -6.007 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.423 1.508 -7.850 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.395 0.823 -6.139 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -6.787 0.262 -5.234 1.00 0.31 H new ATOM 0 HG LEU A 81 -6.070 -0.550 -8.058 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -5.585 -2.746 -7.020 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -4.540 -1.462 -6.367 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -5.924 -2.052 -5.417 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -7.846 -2.233 -7.821 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -8.290 -1.536 -6.244 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -8.483 -0.574 -7.729 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.540 2.236 -4.847 1.00 0.28 N ATOM 1054 CA LEU A 82 -9.711 2.426 -4.014 1.00 0.41 C ATOM 1055 C LEU A 82 -10.620 3.522 -4.552 1.00 0.46 C ATOM 1056 O LEU A 82 -11.788 3.611 -4.177 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.256 2.757 -2.601 1.00 0.50 C ATOM 1058 CG LEU A 82 -9.333 1.602 -1.611 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -8.831 0.302 -2.223 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -8.551 1.934 -0.349 1.00 1.15 C ATOM 0 H LEU A 82 -7.671 2.535 -4.405 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.293 1.505 -4.015 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.226 3.113 -2.641 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -9.863 3.580 -2.224 1.00 0.50 H new ATOM 0 HG LEU A 82 -10.382 1.459 -1.350 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -8.902 -0.498 -1.486 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -9.439 0.050 -3.092 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -7.792 0.422 -2.530 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -8.615 1.099 0.349 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -7.507 2.114 -0.605 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -8.970 2.827 0.114 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.079 4.354 -5.421 1.00 0.45 N ATOM 1073 CA ASN A 83 -10.873 5.375 -6.092 1.00 0.55 C ATOM 1074 C ASN A 83 -11.462 4.781 -7.369 1.00 0.53 C ATOM 1075 O ASN A 83 -12.167 5.456 -8.123 1.00 0.59 O ATOM 1076 CB ASN A 83 -10.004 6.603 -6.405 1.00 0.67 C ATOM 1077 CG ASN A 83 -10.801 7.781 -6.942 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -10.957 7.946 -8.152 1.00 1.37 O ATOM 1079 ND2 ASN A 83 -11.311 8.610 -6.043 1.00 1.46 N ATOM 0 H ASN A 83 -9.093 4.346 -5.682 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.685 5.701 -5.442 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -9.481 6.910 -5.499 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.243 6.325 -7.134 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -11.855 9.418 -6.345 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -11.160 8.440 -5.049 1.00 1.46 H new ATOM 1086 N LYS A 84 -11.148 3.496 -7.577 1.00 0.50 N ATOM 1087 CA LYS A 84 -11.562 2.716 -8.731 1.00 0.58 C ATOM 1088 C LYS A 84 -10.663 3.021 -9.920 1.00 1.18 C ATOM 1089 O LYS A 84 -10.182 4.145 -10.079 1.00 1.86 O ATOM 1090 CB LYS A 84 -13.029 2.960 -9.027 1.00 1.18 C ATOM 1091 CG LYS A 84 -13.968 2.121 -8.169 1.00 1.90 C ATOM 1092 CD LYS A 84 -15.430 2.472 -8.404 1.00 2.86 C ATOM 1093 CE LYS A 84 -15.888 2.094 -9.804 1.00 3.49 C ATOM 1094 NZ LYS A 84 -17.327 2.399 -10.016 1.00 4.17 N ATOM 0 H LYS A 84 -10.580 2.961 -6.920 1.00 0.50 H new ATOM 0 HA LYS A 84 -11.453 1.653 -8.515 1.00 0.58 H new ATOM 0 HB2 LYS A 84 -13.253 4.015 -8.871 1.00 1.18 H new ATOM 0 HB3 LYS A 84 -13.220 2.745 -10.078 1.00 1.18 H new ATOM 0 HG2 LYS A 84 -13.810 1.065 -8.387 1.00 1.90 H new ATOM 0 HG3 LYS A 84 -13.725 2.269 -7.117 1.00 1.90 H new ATOM 0 HD2 LYS A 84 -16.049 1.958 -7.669 1.00 2.86 H new ATOM 0 HD3 LYS A 84 -15.575 3.541 -8.251 1.00 2.86 H new ATOM 0 HE2 LYS A 84 -15.290 2.632 -10.540 1.00 3.49 H new ATOM 0 HE3 LYS A 84 -15.714 1.031 -9.969 1.00 3.49 H new ATOM 0 HZ1 LYS A 84 -17.601 2.127 -10.982 1.00 4.17 H new ATOM 0 HZ2 LYS A 84 -17.899 1.866 -9.331 1.00 4.17 H new ATOM 0 HZ3 LYS A 84 -17.489 3.418 -9.884 1.00 4.17 H new ATOM 1108 N THR A 85 -10.434 2.017 -10.751 1.00 1.78 N ATOM 1109 CA THR A 85 -9.414 2.096 -11.783 1.00 2.69 C ATOM 1110 C THR A 85 -9.850 1.322 -13.023 1.00 3.28 C ATOM 1111 O THR A 85 -9.469 0.138 -13.159 1.00 3.79 O ATOM 1112 CB THR A 85 -8.056 1.547 -11.278 1.00 3.20 C ATOM 1113 OG1 THR A 85 -8.240 0.280 -10.628 1.00 3.79 O ATOM 1114 CG2 THR A 85 -7.383 2.516 -10.314 1.00 2.93 C ATOM 1115 OXT THR A 85 -10.598 1.888 -13.846 1.00 3.62 O ATOM 0 H THR A 85 -10.944 1.134 -10.730 1.00 1.78 H new ATOM 0 HA THR A 85 -9.286 3.148 -12.039 1.00 2.69 H new ATOM 0 HB THR A 85 -7.411 1.423 -12.148 1.00 3.20 H new ATOM 0 HG1 THR A 85 -8.745 -0.319 -11.217 1.00 3.79 H new ATOM 0 HG21 THR A 85 -6.433 2.097 -9.981 1.00 2.93 H new ATOM 0 HG22 THR A 85 -7.204 3.465 -10.818 1.00 2.93 H new ATOM 0 HG23 THR A 85 -8.030 2.680 -9.452 1.00 2.93 H new TER 1123 THR A 85