USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 806 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 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -50:sc= 0.931 USER MOD Single : A 22 THR OG1 : rot 30:sc= 0.432 USER MOD Single : A 24 SER OG : rot 69:sc= 1.29 USER MOD Single : A 27 HIS : no HE2:sc= 0.836 K(o=0.84,f=-4.1!) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00321) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.21) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= -0.0606 (180deg=-0.705) USER MOD Single : A 49 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.25) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.16) USER MOD Single : A 56 SER OG : rot -89:sc= 0.0324 USER MOD Single : A 69 LYS NZ :NH3+ -168:sc=-9.68e-05 (180deg=-0.0884) USER MOD Single : A 72 SER OG : rot -170:sc= -0.406 USER MOD Single : A 79 SER OG : rot -152:sc= 1.07 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00252 USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00633) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 126:sc= 1.24 (180deg=-0.338) USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= -0.0315 (180deg=-0.0554) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -80:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 9.669 -4.082 8.549 1.00 0.73 N ATOM 49 CA THR A 4 11.021 -4.645 8.471 1.00 0.61 C ATOM 50 C THR A 4 11.013 -6.020 9.129 1.00 0.61 C ATOM 51 O THR A 4 11.476 -6.986 8.525 1.00 0.71 O ATOM 52 CB THR A 4 12.016 -3.691 9.167 1.00 0.71 C ATOM 53 OG1 THR A 4 12.337 -2.671 8.249 1.00 0.83 O ATOM 54 CG2 THR A 4 13.327 -4.318 9.649 1.00 0.81 C ATOM 0 HA THR A 4 11.335 -4.756 7.433 1.00 0.61 H new ATOM 0 HB THR A 4 11.512 -3.343 10.069 1.00 0.71 H new ATOM 0 HG1 THR A 4 12.968 -2.045 8.662 1.00 0.83 H new ATOM 0 HG21 THR A 4 13.944 -3.553 10.121 1.00 0.81 H new ATOM 0 HG22 THR A 4 13.110 -5.105 10.371 1.00 0.81 H new ATOM 0 HG23 THR A 4 13.861 -4.742 8.799 1.00 0.81 H new ATOM 62 N ASP A 5 10.460 -6.082 10.348 1.00 0.65 N ATOM 63 CA ASP A 5 10.394 -7.272 11.195 1.00 0.68 C ATOM 64 C ASP A 5 9.134 -8.113 10.928 1.00 0.70 C ATOM 65 O ASP A 5 9.213 -9.336 10.855 1.00 0.86 O ATOM 66 CB ASP A 5 10.429 -6.784 12.651 1.00 0.75 C ATOM 67 CG ASP A 5 10.590 -7.937 13.638 1.00 1.01 C ATOM 68 OD1 ASP A 5 11.718 -8.473 13.697 1.00 1.75 O ATOM 69 OD2 ASP A 5 9.594 -8.241 14.330 1.00 1.89 O ATOM 0 H ASP A 5 10.029 -5.268 10.786 1.00 0.65 H new ATOM 0 HA ASP A 5 11.237 -7.928 10.976 1.00 0.68 H new ATOM 0 HB2 ASP A 5 11.252 -6.081 12.778 1.00 0.75 H new ATOM 0 HB3 ASP A 5 9.510 -6.242 12.874 1.00 0.75 H new ATOM 74 N LEU A 6 7.983 -7.446 10.763 1.00 0.70 N ATOM 75 CA LEU A 6 6.671 -8.059 10.528 1.00 0.80 C ATOM 76 C LEU A 6 6.615 -8.740 9.156 1.00 0.73 C ATOM 77 O LEU A 6 6.538 -9.963 9.097 1.00 0.76 O ATOM 78 CB LEU A 6 5.577 -6.988 10.721 1.00 0.94 C ATOM 79 CG LEU A 6 5.077 -6.831 12.173 1.00 1.04 C ATOM 80 CD1 LEU A 6 4.024 -7.874 12.548 1.00 1.95 C ATOM 81 CD2 LEU A 6 6.177 -6.885 13.240 1.00 1.85 C ATOM 0 H LEU A 6 7.940 -6.427 10.791 1.00 0.70 H new ATOM 0 HA LEU A 6 6.494 -8.853 11.253 1.00 0.80 H new ATOM 0 HB2 LEU A 6 5.963 -6.028 10.378 1.00 0.94 H new ATOM 0 HB3 LEU A 6 4.728 -7.236 10.084 1.00 0.94 H new ATOM 0 HG LEU A 6 4.646 -5.830 12.172 1.00 1.04 H new ATOM 0 HD11 LEU A 6 3.708 -7.717 13.579 1.00 1.95 H new ATOM 0 HD12 LEU A 6 3.164 -7.777 11.886 1.00 1.95 H new ATOM 0 HD13 LEU A 6 4.449 -8.873 12.447 1.00 1.95 H new ATOM 0 HD21 LEU A 6 5.732 -6.766 14.228 1.00 1.85 H new ATOM 0 HD22 LEU A 6 6.689 -7.846 13.186 1.00 1.85 H new ATOM 0 HD23 LEU A 6 6.893 -6.082 13.066 1.00 1.85 H new ATOM 93 N LEU A 7 6.713 -7.960 8.068 1.00 0.83 N ATOM 94 CA LEU A 7 6.971 -8.468 6.717 1.00 0.68 C ATOM 95 C LEU A 7 8.417 -9.011 6.627 1.00 0.83 C ATOM 96 O LEU A 7 8.760 -9.972 7.305 1.00 1.70 O ATOM 97 CB LEU A 7 6.639 -7.374 5.671 1.00 0.66 C ATOM 98 CG LEU A 7 5.139 -7.188 5.388 1.00 0.75 C ATOM 99 CD1 LEU A 7 4.930 -5.894 4.593 1.00 2.11 C ATOM 100 CD2 LEU A 7 4.586 -8.335 4.538 1.00 1.90 C ATOM 0 H LEU A 7 6.613 -6.946 8.106 1.00 0.83 H new ATOM 0 HA LEU A 7 6.317 -9.310 6.491 1.00 0.68 H new ATOM 0 HB2 LEU A 7 7.050 -6.425 6.015 1.00 0.66 H new ATOM 0 HB3 LEU A 7 7.143 -7.619 4.736 1.00 0.66 H new ATOM 0 HG LEU A 7 4.623 -7.160 6.348 1.00 0.75 H new ATOM 0 HD11 LEU A 7 3.868 -5.759 4.391 1.00 2.11 H new ATOM 0 HD12 LEU A 7 5.300 -5.048 5.172 1.00 2.11 H new ATOM 0 HD13 LEU A 7 5.474 -5.954 3.650 1.00 2.11 H new ATOM 0 HD21 LEU A 7 3.524 -8.173 4.356 1.00 1.90 H new ATOM 0 HD22 LEU A 7 5.116 -8.371 3.586 1.00 1.90 H new ATOM 0 HD23 LEU A 7 4.724 -9.279 5.066 1.00 1.90 H new ATOM 112 N ASN A 8 9.262 -8.424 5.775 1.00 0.64 N ATOM 113 CA ASN A 8 10.668 -8.763 5.580 1.00 0.56 C ATOM 114 C ASN A 8 11.327 -7.595 4.832 1.00 0.44 C ATOM 115 O ASN A 8 10.906 -7.276 3.719 1.00 0.43 O ATOM 116 CB ASN A 8 10.780 -10.058 4.744 1.00 0.60 C ATOM 117 CG ASN A 8 10.698 -11.353 5.546 1.00 0.98 C ATOM 118 OD1 ASN A 8 9.739 -12.117 5.484 1.00 2.25 O ATOM 119 ND2 ASN A 8 11.736 -11.657 6.303 1.00 2.25 N ATOM 0 H ASN A 8 8.964 -7.658 5.171 1.00 0.64 H new ATOM 0 HA ASN A 8 11.162 -8.929 6.537 1.00 0.56 H new ATOM 0 HB2 ASN A 8 9.986 -10.060 3.997 1.00 0.60 H new ATOM 0 HB3 ASN A 8 11.726 -10.043 4.203 1.00 0.60 H new ATOM 0 HD21 ASN A 8 11.741 -12.527 6.836 1.00 2.25 H new ATOM 0 HD22 ASN A 8 12.533 -11.022 6.355 1.00 2.25 H new ATOM 126 N ALA A 9 12.348 -6.953 5.418 1.00 0.45 N ATOM 127 CA ALA A 9 13.073 -5.841 4.784 1.00 0.41 C ATOM 128 C ALA A 9 13.593 -6.160 3.363 1.00 0.32 C ATOM 129 O ALA A 9 13.593 -5.292 2.491 1.00 0.32 O ATOM 130 CB ALA A 9 14.218 -5.407 5.703 1.00 0.53 C ATOM 0 H ALA A 9 12.695 -7.190 6.347 1.00 0.45 H new ATOM 0 HA ALA A 9 12.362 -5.025 4.649 1.00 0.41 H new ATOM 0 HB1 ALA A 9 14.762 -4.583 5.242 1.00 0.53 H new ATOM 0 HB2 ALA A 9 13.812 -5.083 6.661 1.00 0.53 H new ATOM 0 HB3 ALA A 9 14.896 -6.246 5.861 1.00 0.53 H new ATOM 136 N GLU A 10 13.996 -7.413 3.119 1.00 0.34 N ATOM 137 CA GLU A 10 14.419 -7.927 1.812 1.00 0.35 C ATOM 138 C GLU A 10 13.300 -7.820 0.766 1.00 0.34 C ATOM 139 O GLU A 10 13.466 -7.147 -0.251 1.00 0.58 O ATOM 140 CB GLU A 10 14.888 -9.382 1.965 1.00 0.49 C ATOM 141 CG GLU A 10 16.171 -9.483 2.800 1.00 1.30 C ATOM 142 CD GLU A 10 16.613 -10.941 2.941 1.00 1.71 C ATOM 143 OE1 GLU A 10 17.280 -11.427 2.000 1.00 2.26 O ATOM 144 OE2 GLU A 10 16.273 -11.541 3.985 1.00 2.94 O ATOM 0 H GLU A 10 14.038 -8.121 3.852 1.00 0.34 H new ATOM 0 HA GLU A 10 15.246 -7.315 1.452 1.00 0.35 H new ATOM 0 HB2 GLU A 10 14.100 -9.970 2.436 1.00 0.49 H new ATOM 0 HB3 GLU A 10 15.061 -9.814 0.979 1.00 0.49 H new ATOM 0 HG2 GLU A 10 16.964 -8.902 2.329 1.00 1.30 H new ATOM 0 HG3 GLU A 10 16.003 -9.052 3.787 1.00 1.30 H new ATOM 151 N ASP A 11 12.151 -8.448 1.026 1.00 0.24 N ATOM 152 CA ASP A 11 10.940 -8.404 0.210 1.00 0.25 C ATOM 153 C ASP A 11 10.464 -6.946 0.028 1.00 0.23 C ATOM 154 O ASP A 11 10.159 -6.525 -1.091 1.00 0.25 O ATOM 155 CB ASP A 11 9.869 -9.312 0.853 1.00 0.29 C ATOM 156 CG ASP A 11 10.308 -10.762 1.140 1.00 0.69 C ATOM 157 OD1 ASP A 11 11.330 -10.928 1.842 1.00 1.92 O ATOM 158 OD2 ASP A 11 9.598 -11.696 0.695 1.00 1.59 O ATOM 0 H ASP A 11 12.037 -9.031 1.855 1.00 0.24 H new ATOM 0 HA ASP A 11 11.142 -8.785 -0.791 1.00 0.25 H new ATOM 0 HB2 ASP A 11 9.548 -8.857 1.790 1.00 0.29 H new ATOM 0 HB3 ASP A 11 8.999 -9.338 0.197 1.00 0.29 H new ATOM 163 N ILE A 12 10.506 -6.136 1.099 1.00 0.22 N ATOM 164 CA ILE A 12 10.282 -4.681 1.063 1.00 0.23 C ATOM 165 C ILE A 12 11.176 -3.965 0.040 1.00 0.24 C ATOM 166 O ILE A 12 10.694 -3.046 -0.625 1.00 0.26 O ATOM 167 CB ILE A 12 10.385 -4.074 2.489 1.00 0.28 C ATOM 168 CG1 ILE A 12 8.999 -3.861 3.137 1.00 0.38 C ATOM 169 CG2 ILE A 12 11.101 -2.720 2.564 1.00 0.36 C ATOM 170 CD1 ILE A 12 8.507 -5.108 3.859 1.00 0.49 C ATOM 0 H ILE A 12 10.702 -6.484 2.038 1.00 0.22 H new ATOM 0 HA ILE A 12 9.264 -4.514 0.711 1.00 0.23 H new ATOM 0 HB ILE A 12 10.974 -4.821 3.022 1.00 0.28 H new ATOM 0 HG12 ILE A 12 9.053 -3.032 3.842 1.00 0.38 H new ATOM 0 HG13 ILE A 12 8.279 -3.580 2.368 1.00 0.38 H new ATOM 0 HG21 ILE A 12 11.123 -2.377 3.598 1.00 0.36 H new ATOM 0 HG22 ILE A 12 12.121 -2.827 2.195 1.00 0.36 H new ATOM 0 HG23 ILE A 12 10.568 -1.992 1.952 1.00 0.36 H new ATOM 0 HD11 ILE A 12 7.529 -4.912 4.299 1.00 0.49 H new ATOM 0 HD12 ILE A 12 8.427 -5.931 3.149 1.00 0.49 H new ATOM 0 HD13 ILE A 12 9.212 -5.375 4.646 1.00 0.49 H new ATOM 182 N LYS A 13 12.445 -4.365 -0.136 1.00 0.28 N ATOM 183 CA LYS A 13 13.336 -3.738 -1.126 1.00 0.32 C ATOM 184 C LYS A 13 12.787 -3.894 -2.551 1.00 0.33 C ATOM 185 O LYS A 13 12.745 -2.920 -3.305 1.00 0.39 O ATOM 186 CB LYS A 13 14.796 -4.206 -0.930 1.00 0.42 C ATOM 187 CG LYS A 13 15.367 -5.128 -2.020 1.00 1.44 C ATOM 188 CD LYS A 13 16.801 -5.552 -1.684 1.00 2.60 C ATOM 189 CE LYS A 13 17.350 -6.403 -2.831 1.00 3.85 C ATOM 190 NZ LYS A 13 18.775 -6.754 -2.616 1.00 5.07 N ATOM 0 H LYS A 13 12.878 -5.121 0.395 1.00 0.28 H new ATOM 0 HA LYS A 13 13.360 -2.661 -0.959 1.00 0.32 H new ATOM 0 HB2 LYS A 13 15.432 -3.323 -0.860 1.00 0.42 H new ATOM 0 HB3 LYS A 13 14.864 -4.724 0.027 1.00 0.42 H new ATOM 0 HG2 LYS A 13 14.737 -6.012 -2.121 1.00 1.44 H new ATOM 0 HG3 LYS A 13 15.352 -4.614 -2.981 1.00 1.44 H new ATOM 0 HD2 LYS A 13 17.428 -4.673 -1.534 1.00 2.60 H new ATOM 0 HD3 LYS A 13 16.818 -6.119 -0.753 1.00 2.60 H new ATOM 0 HE2 LYS A 13 16.760 -7.315 -2.923 1.00 3.85 H new ATOM 0 HE3 LYS A 13 17.246 -5.860 -3.770 1.00 3.85 H new ATOM 0 HZ1 LYS A 13 19.114 -7.331 -3.412 1.00 5.07 H new ATOM 0 HZ2 LYS A 13 19.341 -5.884 -2.553 1.00 5.07 H new ATOM 0 HZ3 LYS A 13 18.870 -7.294 -1.732 1.00 5.07 H new ATOM 204 N LYS A 14 12.305 -5.095 -2.906 1.00 0.33 N ATOM 205 CA LYS A 14 11.603 -5.337 -4.175 1.00 0.39 C ATOM 206 C LYS A 14 10.257 -4.619 -4.230 1.00 0.38 C ATOM 207 O LYS A 14 9.914 -4.086 -5.277 1.00 0.45 O ATOM 208 CB LYS A 14 11.421 -6.839 -4.438 1.00 0.48 C ATOM 209 CG LYS A 14 12.650 -7.458 -5.115 1.00 0.85 C ATOM 210 CD LYS A 14 12.385 -8.931 -5.467 1.00 1.72 C ATOM 211 CE LYS A 14 13.344 -9.457 -6.543 1.00 2.23 C ATOM 212 NZ LYS A 14 14.753 -9.471 -6.086 1.00 2.69 N ATOM 0 H LYS A 14 12.391 -5.926 -2.321 1.00 0.33 H new ATOM 0 HA LYS A 14 12.232 -4.924 -4.964 1.00 0.39 H new ATOM 0 HB2 LYS A 14 11.230 -7.351 -3.495 1.00 0.48 H new ATOM 0 HB3 LYS A 14 10.545 -6.993 -5.067 1.00 0.48 H new ATOM 0 HG2 LYS A 14 12.894 -6.900 -6.019 1.00 0.85 H new ATOM 0 HG3 LYS A 14 13.513 -7.386 -4.453 1.00 0.85 H new ATOM 0 HD2 LYS A 14 12.483 -9.540 -4.568 1.00 1.72 H new ATOM 0 HD3 LYS A 14 11.358 -9.039 -5.815 1.00 1.72 H new ATOM 0 HE2 LYS A 14 13.047 -10.466 -6.828 1.00 2.23 H new ATOM 0 HE3 LYS A 14 13.260 -8.836 -7.435 1.00 2.23 H new ATOM 0 HZ1 LYS A 14 15.361 -9.834 -6.847 1.00 2.69 H new ATOM 0 HZ2 LYS A 14 15.047 -8.505 -5.839 1.00 2.69 H new ATOM 0 HZ3 LYS A 14 14.841 -10.084 -5.251 1.00 2.69 H new ATOM 226 N ALA A 15 9.530 -4.558 -3.114 1.00 0.34 N ATOM 227 CA ALA A 15 8.261 -3.851 -3.002 1.00 0.39 C ATOM 228 C ALA A 15 8.396 -2.364 -3.347 1.00 0.34 C ATOM 229 O ALA A 15 7.756 -1.879 -4.277 1.00 0.36 O ATOM 230 CB ALA A 15 7.738 -4.037 -1.581 1.00 0.45 C ATOM 0 H ALA A 15 9.816 -5.010 -2.246 1.00 0.34 H new ATOM 0 HA ALA A 15 7.556 -4.266 -3.722 1.00 0.39 H new ATOM 0 HB1 ALA A 15 6.787 -3.516 -1.472 1.00 0.45 H new ATOM 0 HB2 ALA A 15 7.595 -5.099 -1.382 1.00 0.45 H new ATOM 0 HB3 ALA A 15 8.458 -3.629 -0.872 1.00 0.45 H new ATOM 236 N VAL A 16 9.263 -1.637 -2.630 1.00 0.30 N ATOM 237 CA VAL A 16 9.531 -0.219 -2.899 1.00 0.32 C ATOM 238 C VAL A 16 10.013 -0.035 -4.343 1.00 0.30 C ATOM 239 O VAL A 16 9.583 0.906 -5.002 1.00 0.39 O ATOM 240 CB VAL A 16 10.511 0.364 -1.860 1.00 0.36 C ATOM 241 CG1 VAL A 16 10.837 1.839 -2.118 1.00 0.66 C ATOM 242 CG2 VAL A 16 9.930 0.280 -0.441 1.00 0.65 C ATOM 0 H VAL A 16 9.798 -2.015 -1.848 1.00 0.30 H new ATOM 0 HA VAL A 16 8.605 0.346 -2.796 1.00 0.32 H new ATOM 0 HB VAL A 16 11.417 -0.235 -1.953 1.00 0.36 H new ATOM 0 HG11 VAL A 16 11.530 2.197 -1.357 1.00 0.66 H new ATOM 0 HG12 VAL A 16 11.293 1.944 -3.103 1.00 0.66 H new ATOM 0 HG13 VAL A 16 9.920 2.427 -2.078 1.00 0.66 H new ATOM 0 HG21 VAL A 16 10.643 0.698 0.269 1.00 0.65 H new ATOM 0 HG22 VAL A 16 8.999 0.844 -0.395 1.00 0.65 H new ATOM 0 HG23 VAL A 16 9.735 -0.762 -0.189 1.00 0.65 H new ATOM 252 N GLY A 17 10.802 -0.982 -4.873 1.00 0.25 N ATOM 253 CA GLY A 17 11.222 -1.022 -6.274 1.00 0.29 C ATOM 254 C GLY A 17 10.101 -1.284 -7.292 1.00 0.33 C ATOM 255 O GLY A 17 10.270 -0.947 -8.459 1.00 0.49 O ATOM 0 H GLY A 17 11.172 -1.757 -4.323 1.00 0.25 H new ATOM 0 HA2 GLY A 17 11.698 -0.073 -6.520 1.00 0.29 H new ATOM 0 HA3 GLY A 17 11.980 -1.797 -6.386 1.00 0.29 H new ATOM 259 N ALA A 18 8.963 -1.857 -6.883 1.00 0.34 N ATOM 260 CA ALA A 18 7.813 -2.151 -7.740 1.00 0.41 C ATOM 261 C ALA A 18 7.015 -0.870 -8.048 1.00 0.43 C ATOM 262 O ALA A 18 6.889 -0.471 -9.204 1.00 0.74 O ATOM 263 CB ALA A 18 6.976 -3.239 -7.051 1.00 0.49 C ATOM 0 H ALA A 18 8.814 -2.137 -5.914 1.00 0.34 H new ATOM 0 HA ALA A 18 8.136 -2.528 -8.710 1.00 0.41 H new ATOM 0 HB1 ALA A 18 6.111 -3.478 -7.669 1.00 0.49 H new ATOM 0 HB2 ALA A 18 7.583 -4.134 -6.915 1.00 0.49 H new ATOM 0 HB3 ALA A 18 6.639 -2.878 -6.079 1.00 0.49 H new ATOM 269 N PHE A 19 6.577 -0.152 -7.003 1.00 0.40 N ATOM 270 CA PHE A 19 5.953 1.178 -7.103 1.00 0.43 C ATOM 271 C PHE A 19 6.963 2.308 -7.424 1.00 0.55 C ATOM 272 O PHE A 19 6.550 3.462 -7.514 1.00 0.62 O ATOM 273 CB PHE A 19 5.215 1.501 -5.787 1.00 0.44 C ATOM 274 CG PHE A 19 4.032 0.625 -5.389 1.00 0.45 C ATOM 275 CD1 PHE A 19 3.339 -0.132 -6.350 1.00 2.12 C ATOM 276 CD2 PHE A 19 3.566 0.617 -4.055 1.00 1.86 C ATOM 277 CE1 PHE A 19 2.222 -0.885 -5.975 1.00 2.15 C ATOM 278 CE2 PHE A 19 2.456 -0.161 -3.673 1.00 1.87 C ATOM 279 CZ PHE A 19 1.789 -0.924 -4.639 1.00 0.58 C ATOM 0 H PHE A 19 6.648 -0.487 -6.042 1.00 0.40 H new ATOM 0 HA PHE A 19 5.254 1.136 -7.938 1.00 0.43 H new ATOM 0 HB2 PHE A 19 5.945 1.462 -4.978 1.00 0.44 H new ATOM 0 HB3 PHE A 19 4.861 2.530 -5.848 1.00 0.44 H new ATOM 0 HD1 PHE A 19 3.670 -0.132 -7.378 1.00 2.12 H new ATOM 0 HD2 PHE A 19 4.071 1.219 -3.314 1.00 1.86 H new ATOM 0 HE1 PHE A 19 1.683 -1.446 -6.725 1.00 2.15 H new ATOM 0 HE2 PHE A 19 2.123 -0.169 -2.646 1.00 1.87 H new ATOM 0 HZ PHE A 19 0.947 -1.539 -4.359 1.00 0.58 H new ATOM 289 N SER A 20 8.266 2.022 -7.604 1.00 0.74 N ATOM 290 CA SER A 20 9.332 2.991 -7.945 1.00 0.90 C ATOM 291 C SER A 20 9.223 3.529 -9.390 1.00 0.83 C ATOM 292 O SER A 20 10.191 3.513 -10.158 1.00 0.88 O ATOM 293 CB SER A 20 10.715 2.370 -7.684 1.00 1.19 C ATOM 294 OG SER A 20 11.737 3.259 -8.079 1.00 2.28 O ATOM 0 H SER A 20 8.623 1.071 -7.513 1.00 0.74 H new ATOM 0 HA SER A 20 9.200 3.855 -7.294 1.00 0.90 H new ATOM 0 HB2 SER A 20 10.820 2.133 -6.625 1.00 1.19 H new ATOM 0 HB3 SER A 20 10.809 1.432 -8.232 1.00 1.19 H new ATOM 0 HG SER A 20 11.559 3.579 -8.988 1.00 2.28 H new ATOM 300 N ALA A 21 8.043 4.025 -9.752 1.00 0.79 N ATOM 301 CA ALA A 21 7.672 4.519 -11.068 1.00 0.84 C ATOM 302 C ALA A 21 6.694 5.700 -10.944 1.00 0.83 C ATOM 303 O ALA A 21 6.407 6.184 -9.852 1.00 1.28 O ATOM 304 CB ALA A 21 7.051 3.344 -11.839 1.00 0.86 C ATOM 0 H ALA A 21 7.272 4.096 -9.088 1.00 0.79 H new ATOM 0 HA ALA A 21 8.543 4.893 -11.605 1.00 0.84 H new ATOM 0 HB1 ALA A 21 6.759 3.676 -12.835 1.00 0.86 H new ATOM 0 HB2 ALA A 21 7.781 2.539 -11.925 1.00 0.86 H new ATOM 0 HB3 ALA A 21 6.172 2.982 -11.305 1.00 0.86 H new ATOM 310 N THR A 22 6.179 6.158 -12.085 1.00 0.91 N ATOM 311 CA THR A 22 5.129 7.173 -12.193 1.00 0.97 C ATOM 312 C THR A 22 3.861 6.510 -12.735 1.00 1.45 C ATOM 313 O THR A 22 3.926 5.868 -13.790 1.00 3.23 O ATOM 314 CB THR A 22 5.585 8.304 -13.133 1.00 0.87 C ATOM 315 OG1 THR A 22 5.906 7.772 -14.404 1.00 1.07 O ATOM 316 CG2 THR A 22 6.810 9.050 -12.598 1.00 1.05 C ATOM 0 H THR A 22 6.493 5.820 -12.995 1.00 0.91 H new ATOM 0 HA THR A 22 4.926 7.604 -11.213 1.00 0.97 H new ATOM 0 HB THR A 22 4.757 9.010 -13.203 1.00 0.87 H new ATOM 0 HG1 THR A 22 5.361 6.975 -14.572 1.00 1.07 H new ATOM 0 HG21 THR A 22 7.091 9.837 -13.298 1.00 1.05 H new ATOM 0 HG22 THR A 22 6.573 9.492 -11.630 1.00 1.05 H new ATOM 0 HG23 THR A 22 7.640 8.352 -12.484 1.00 1.05 H new ATOM 324 N ASP A 23 2.726 6.660 -12.038 1.00 0.59 N ATOM 325 CA ASP A 23 1.378 6.299 -12.520 1.00 0.66 C ATOM 326 C ASP A 23 1.204 4.821 -12.943 1.00 0.80 C ATOM 327 O ASP A 23 0.282 4.485 -13.686 1.00 1.19 O ATOM 328 CB ASP A 23 0.966 7.239 -13.654 1.00 0.74 C ATOM 329 CG ASP A 23 1.181 8.724 -13.339 1.00 2.04 C ATOM 330 OD1 ASP A 23 2.346 9.192 -13.382 1.00 3.05 O ATOM 331 OD2 ASP A 23 0.197 9.388 -12.947 1.00 3.13 O ATOM 0 H ASP A 23 2.716 7.047 -11.094 1.00 0.59 H new ATOM 0 HA ASP A 23 0.716 6.419 -11.662 1.00 0.66 H new ATOM 0 HB2 ASP A 23 1.532 6.982 -14.549 1.00 0.74 H new ATOM 0 HB3 ASP A 23 -0.087 7.075 -13.884 1.00 0.74 H new ATOM 336 N SER A 24 2.097 3.935 -12.496 1.00 0.87 N ATOM 337 CA SER A 24 2.278 2.572 -13.008 1.00 0.91 C ATOM 338 C SER A 24 1.874 1.491 -11.989 1.00 1.04 C ATOM 339 O SER A 24 2.156 0.315 -12.201 1.00 1.87 O ATOM 340 CB SER A 24 3.734 2.410 -13.462 1.00 0.95 C ATOM 341 OG SER A 24 4.064 3.342 -14.481 1.00 2.09 O ATOM 0 H SER A 24 2.741 4.155 -11.736 1.00 0.87 H new ATOM 0 HA SER A 24 1.609 2.428 -13.857 1.00 0.91 H new ATOM 0 HB2 SER A 24 4.400 2.548 -12.610 1.00 0.95 H new ATOM 0 HB3 SER A 24 3.892 1.396 -13.829 1.00 0.95 H new ATOM 0 HG SER A 24 4.075 4.247 -14.105 1.00 2.09 H new ATOM 347 N PHE A 25 1.232 1.900 -10.887 1.00 0.67 N ATOM 348 CA PHE A 25 1.044 1.213 -9.607 1.00 0.56 C ATOM 349 C PHE A 25 0.703 -0.302 -9.649 1.00 0.78 C ATOM 350 O PHE A 25 -0.464 -0.712 -9.553 1.00 2.00 O ATOM 351 CB PHE A 25 -0.032 1.971 -8.816 1.00 0.74 C ATOM 352 CG PHE A 25 0.025 1.802 -7.314 1.00 1.06 C ATOM 353 CD1 PHE A 25 0.965 2.536 -6.566 1.00 2.72 C ATOM 354 CD2 PHE A 25 -0.890 0.960 -6.657 1.00 1.94 C ATOM 355 CE1 PHE A 25 0.977 2.439 -5.164 1.00 3.15 C ATOM 356 CE2 PHE A 25 -0.870 0.858 -5.255 1.00 2.01 C ATOM 357 CZ PHE A 25 0.050 1.612 -4.507 1.00 1.98 C ATOM 0 H PHE A 25 0.785 2.817 -10.871 1.00 0.67 H new ATOM 0 HA PHE A 25 2.024 1.229 -9.130 1.00 0.56 H new ATOM 0 HB2 PHE A 25 0.051 3.033 -9.048 1.00 0.74 H new ATOM 0 HB3 PHE A 25 -1.012 1.644 -9.164 1.00 0.74 H new ATOM 0 HD1 PHE A 25 1.677 3.173 -7.069 1.00 2.72 H new ATOM 0 HD2 PHE A 25 -1.608 0.392 -7.230 1.00 1.94 H new ATOM 0 HE1 PHE A 25 1.700 3.001 -4.591 1.00 3.15 H new ATOM 0 HE2 PHE A 25 -1.563 0.199 -4.752 1.00 2.01 H new ATOM 0 HZ PHE A 25 0.045 1.556 -3.428 1.00 1.98 H new ATOM 367 N ASP A 26 1.716 -1.167 -9.728 1.00 0.74 N ATOM 368 CA ASP A 26 1.610 -2.613 -9.955 1.00 0.85 C ATOM 369 C ASP A 26 1.204 -3.423 -8.702 1.00 0.81 C ATOM 370 O ASP A 26 1.757 -4.480 -8.418 1.00 0.96 O ATOM 371 CB ASP A 26 2.921 -3.107 -10.595 1.00 0.99 C ATOM 372 CG ASP A 26 4.115 -3.172 -9.633 1.00 2.68 C ATOM 373 OD1 ASP A 26 4.153 -2.354 -8.686 1.00 4.20 O ATOM 374 OD2 ASP A 26 4.965 -4.061 -9.860 1.00 3.51 O ATOM 0 H ASP A 26 2.685 -0.863 -9.630 1.00 0.74 H new ATOM 0 HA ASP A 26 0.783 -2.789 -10.643 1.00 0.85 H new ATOM 0 HB2 ASP A 26 2.754 -4.099 -11.014 1.00 0.99 H new ATOM 0 HB3 ASP A 26 3.175 -2.449 -11.426 1.00 0.99 H new ATOM 379 N HIS A 27 0.203 -2.954 -7.952 1.00 0.81 N ATOM 380 CA HIS A 27 -0.199 -3.419 -6.614 1.00 0.78 C ATOM 381 C HIS A 27 -0.208 -4.941 -6.425 1.00 0.66 C ATOM 382 O HIS A 27 0.336 -5.445 -5.444 1.00 0.60 O ATOM 383 CB HIS A 27 -1.532 -2.763 -6.221 1.00 0.91 C ATOM 384 CG HIS A 27 -2.635 -2.814 -7.256 1.00 1.78 C ATOM 385 ND1 HIS A 27 -2.704 -2.067 -8.419 1.00 3.26 N ATOM 386 CD2 HIS A 27 -3.802 -3.525 -7.153 1.00 2.58 C ATOM 387 CE1 HIS A 27 -3.891 -2.327 -8.993 1.00 3.79 C ATOM 388 NE2 HIS A 27 -4.581 -3.224 -8.273 1.00 3.41 N ATOM 0 H HIS A 27 -0.388 -2.191 -8.281 1.00 0.81 H new ATOM 0 HA HIS A 27 0.581 -3.094 -5.925 1.00 0.78 H new ATOM 0 HB2 HIS A 27 -1.894 -3.242 -5.311 1.00 0.91 H new ATOM 0 HB3 HIS A 27 -1.340 -1.718 -5.976 1.00 0.91 H new ATOM 0 HD1 HIS A 27 -1.986 -1.436 -8.775 1.00 3.26 H new ATOM 0 HD2 HIS A 27 -4.071 -4.197 -6.351 1.00 2.58 H new ATOM 0 HE1 HIS A 27 -4.242 -1.875 -9.909 1.00 3.79 H new ATOM 396 N LYS A 28 -0.760 -5.669 -7.396 1.00 0.67 N ATOM 397 CA LYS A 28 -0.736 -7.133 -7.529 1.00 0.65 C ATOM 398 C LYS A 28 0.684 -7.694 -7.352 1.00 0.52 C ATOM 399 O LYS A 28 0.896 -8.561 -6.507 1.00 0.52 O ATOM 400 CB LYS A 28 -1.312 -7.549 -8.901 1.00 0.87 C ATOM 401 CG LYS A 28 -2.491 -6.694 -9.400 1.00 1.11 C ATOM 402 CD LYS A 28 -2.076 -5.462 -10.232 1.00 1.92 C ATOM 403 CE LYS A 28 -2.120 -5.744 -11.737 1.00 2.44 C ATOM 404 NZ LYS A 28 -3.513 -5.752 -12.251 1.00 3.17 N ATOM 0 H LYS A 28 -1.269 -5.227 -8.161 1.00 0.67 H new ATOM 0 HA LYS A 28 -1.357 -7.553 -6.737 1.00 0.65 H new ATOM 0 HB2 LYS A 28 -0.513 -7.506 -9.641 1.00 0.87 H new ATOM 0 HB3 LYS A 28 -1.636 -8.588 -8.842 1.00 0.87 H new ATOM 0 HG2 LYS A 28 -3.149 -7.320 -10.003 1.00 1.11 H new ATOM 0 HG3 LYS A 28 -3.071 -6.358 -8.540 1.00 1.11 H new ATOM 0 HD2 LYS A 28 -2.738 -4.628 -10.000 1.00 1.92 H new ATOM 0 HD3 LYS A 28 -1.068 -5.157 -9.950 1.00 1.92 H new ATOM 0 HE2 LYS A 28 -1.540 -4.988 -12.267 1.00 2.44 H new ATOM 0 HE3 LYS A 28 -1.651 -6.706 -11.941 1.00 2.44 H new ATOM 0 HZ1 LYS A 28 -3.562 -6.334 -13.111 1.00 3.17 H new ATOM 0 HZ2 LYS A 28 -4.147 -6.148 -11.528 1.00 3.17 H new ATOM 0 HZ3 LYS A 28 -3.806 -4.779 -12.474 1.00 3.17 H new ATOM 418 N LYS A 29 1.626 -7.202 -8.169 1.00 0.56 N ATOM 419 CA LYS A 29 3.055 -7.532 -8.206 1.00 0.52 C ATOM 420 C LYS A 29 3.770 -7.036 -6.956 1.00 0.41 C ATOM 421 O LYS A 29 4.484 -7.833 -6.360 1.00 0.37 O ATOM 422 CB LYS A 29 3.701 -6.923 -9.464 1.00 0.67 C ATOM 423 CG LYS A 29 3.612 -7.837 -10.691 1.00 1.12 C ATOM 424 CD LYS A 29 4.705 -8.921 -10.682 1.00 2.11 C ATOM 425 CE LYS A 29 5.643 -8.727 -11.879 1.00 2.03 C ATOM 426 NZ LYS A 29 6.791 -9.660 -11.831 1.00 3.73 N ATOM 0 H LYS A 29 1.388 -6.508 -8.877 1.00 0.56 H new ATOM 0 HA LYS A 29 3.153 -8.617 -8.239 1.00 0.52 H new ATOM 0 HB2 LYS A 29 3.216 -5.974 -9.690 1.00 0.67 H new ATOM 0 HB3 LYS A 29 4.749 -6.704 -9.257 1.00 0.67 H new ATOM 0 HG2 LYS A 29 2.631 -8.311 -10.720 1.00 1.12 H new ATOM 0 HG3 LYS A 29 3.703 -7.238 -11.597 1.00 1.12 H new ATOM 0 HD2 LYS A 29 5.272 -8.870 -9.753 1.00 2.11 H new ATOM 0 HD3 LYS A 29 4.249 -9.910 -10.723 1.00 2.11 H new ATOM 0 HE2 LYS A 29 5.088 -8.880 -12.805 1.00 2.03 H new ATOM 0 HE3 LYS A 29 6.009 -7.700 -11.892 1.00 2.03 H new ATOM 0 HZ1 LYS A 29 7.403 -9.500 -12.656 1.00 3.73 H new ATOM 0 HZ2 LYS A 29 7.335 -9.497 -10.959 1.00 3.73 H new ATOM 0 HZ3 LYS A 29 6.443 -10.640 -11.844 1.00 3.73 H new ATOM 440 N PHE A 30 3.523 -5.798 -6.511 1.00 0.45 N ATOM 441 CA PHE A 30 4.018 -5.295 -5.220 1.00 0.43 C ATOM 442 C PHE A 30 3.706 -6.285 -4.089 1.00 0.40 C ATOM 443 O PHE A 30 4.622 -6.751 -3.416 1.00 0.38 O ATOM 444 CB PHE A 30 3.430 -3.908 -4.921 1.00 0.50 C ATOM 445 CG PHE A 30 3.875 -3.306 -3.596 1.00 0.52 C ATOM 446 CD1 PHE A 30 3.324 -3.744 -2.375 1.00 1.69 C ATOM 447 CD2 PHE A 30 4.842 -2.288 -3.581 1.00 1.77 C ATOM 448 CE1 PHE A 30 3.784 -3.218 -1.158 1.00 1.80 C ATOM 449 CE2 PHE A 30 5.275 -1.732 -2.365 1.00 1.76 C ATOM 450 CZ PHE A 30 4.762 -2.211 -1.152 1.00 0.78 C ATOM 0 H PHE A 30 2.975 -5.115 -7.034 1.00 0.45 H new ATOM 0 HA PHE A 30 5.102 -5.197 -5.283 1.00 0.43 H new ATOM 0 HB2 PHE A 30 3.708 -3.228 -5.726 1.00 0.50 H new ATOM 0 HB3 PHE A 30 2.342 -3.980 -4.926 1.00 0.50 H new ATOM 0 HD1 PHE A 30 2.543 -4.489 -2.376 1.00 1.69 H new ATOM 0 HD2 PHE A 30 5.256 -1.929 -4.512 1.00 1.77 H new ATOM 0 HE1 PHE A 30 3.385 -3.588 -0.225 1.00 1.80 H new ATOM 0 HE2 PHE A 30 6.004 -0.935 -2.365 1.00 1.76 H new ATOM 0 HZ PHE A 30 5.118 -1.807 -0.216 1.00 0.78 H new ATOM 460 N PHE A 31 2.424 -6.634 -3.899 1.00 0.43 N ATOM 461 CA PHE A 31 1.975 -7.534 -2.832 1.00 0.40 C ATOM 462 C PHE A 31 2.575 -8.942 -2.926 1.00 0.32 C ATOM 463 O PHE A 31 2.787 -9.582 -1.896 1.00 0.35 O ATOM 464 CB PHE A 31 0.448 -7.627 -2.819 1.00 0.49 C ATOM 465 CG PHE A 31 -0.226 -6.705 -1.819 1.00 0.61 C ATOM 466 CD1 PHE A 31 -0.227 -5.309 -2.006 1.00 1.93 C ATOM 467 CD2 PHE A 31 -0.901 -7.256 -0.714 1.00 1.56 C ATOM 468 CE1 PHE A 31 -0.903 -4.478 -1.094 1.00 1.99 C ATOM 469 CE2 PHE A 31 -1.565 -6.429 0.202 1.00 1.63 C ATOM 470 CZ PHE A 31 -1.574 -5.042 0.003 1.00 0.92 C ATOM 0 H PHE A 31 1.665 -6.294 -4.489 1.00 0.43 H new ATOM 0 HA PHE A 31 2.334 -7.098 -1.900 1.00 0.40 H new ATOM 0 HB2 PHE A 31 0.073 -7.398 -3.817 1.00 0.49 H new ATOM 0 HB3 PHE A 31 0.160 -8.655 -2.599 1.00 0.49 H new ATOM 0 HD1 PHE A 31 0.291 -4.877 -2.849 1.00 1.93 H new ATOM 0 HD2 PHE A 31 -0.907 -8.326 -0.571 1.00 1.56 H new ATOM 0 HE1 PHE A 31 -0.906 -3.408 -1.237 1.00 1.99 H new ATOM 0 HE2 PHE A 31 -2.067 -6.858 1.056 1.00 1.63 H new ATOM 0 HZ PHE A 31 -2.100 -4.403 0.697 1.00 0.92 H new ATOM 480 N GLN A 32 2.855 -9.422 -4.141 1.00 0.30 N ATOM 481 CA GLN A 32 3.582 -10.670 -4.358 1.00 0.28 C ATOM 482 C GLN A 32 5.066 -10.508 -3.977 1.00 0.26 C ATOM 483 O GLN A 32 5.575 -11.264 -3.154 1.00 0.31 O ATOM 484 CB GLN A 32 3.431 -11.099 -5.832 1.00 0.42 C ATOM 485 CG GLN A 32 2.008 -11.561 -6.181 1.00 0.54 C ATOM 486 CD GLN A 32 1.718 -11.492 -7.681 1.00 1.15 C ATOM 487 OE1 GLN A 32 2.478 -11.949 -8.519 1.00 2.13 O ATOM 488 NE2 GLN A 32 0.594 -10.921 -8.072 1.00 1.09 N ATOM 0 H GLN A 32 2.581 -8.952 -5.004 1.00 0.30 H new ATOM 0 HA GLN A 32 3.163 -11.448 -3.719 1.00 0.28 H new ATOM 0 HB2 GLN A 32 3.704 -10.264 -6.477 1.00 0.42 H new ATOM 0 HB3 GLN A 32 4.131 -11.907 -6.043 1.00 0.42 H new ATOM 0 HG2 GLN A 32 1.867 -12.585 -5.834 1.00 0.54 H new ATOM 0 HG3 GLN A 32 1.288 -10.942 -5.647 1.00 0.54 H new ATOM 0 HE21 GLN A 32 -0.049 -10.535 -7.381 1.00 1.09 H new ATOM 0 HE22 GLN A 32 0.369 -10.865 -9.065 1.00 1.09 H new ATOM 497 N MET A 33 5.749 -9.505 -4.545 1.00 0.29 N ATOM 498 CA MET A 33 7.175 -9.202 -4.364 1.00 0.32 C ATOM 499 C MET A 33 7.566 -8.911 -2.909 1.00 0.34 C ATOM 500 O MET A 33 8.645 -9.316 -2.485 1.00 0.44 O ATOM 501 CB MET A 33 7.541 -7.994 -5.240 1.00 0.38 C ATOM 502 CG MET A 33 7.647 -8.361 -6.724 1.00 0.50 C ATOM 503 SD MET A 33 7.729 -6.918 -7.817 1.00 1.74 S ATOM 504 CE MET A 33 9.128 -7.365 -8.876 1.00 1.46 C ATOM 0 H MET A 33 5.296 -8.846 -5.179 1.00 0.29 H new ATOM 0 HA MET A 33 7.728 -10.094 -4.659 1.00 0.32 H new ATOM 0 HB2 MET A 33 6.789 -7.215 -5.114 1.00 0.38 H new ATOM 0 HB3 MET A 33 8.490 -7.578 -4.902 1.00 0.38 H new ATOM 0 HG2 MET A 33 8.535 -8.974 -6.877 1.00 0.50 H new ATOM 0 HG3 MET A 33 6.787 -8.970 -7.002 1.00 0.50 H new ATOM 0 HE1 MET A 33 9.302 -6.572 -9.603 1.00 1.46 H new ATOM 0 HE2 MET A 33 10.020 -7.498 -8.264 1.00 1.46 H new ATOM 0 HE3 MET A 33 8.906 -8.295 -9.400 1.00 1.46 H new ATOM 514 N VAL A 34 6.696 -8.231 -2.155 1.00 0.30 N ATOM 515 CA VAL A 34 6.841 -7.964 -0.714 1.00 0.31 C ATOM 516 C VAL A 34 6.422 -9.165 0.166 1.00 0.30 C ATOM 517 O VAL A 34 6.580 -9.120 1.385 1.00 0.38 O ATOM 518 CB VAL A 34 6.009 -6.721 -0.361 1.00 0.34 C ATOM 519 CG1 VAL A 34 4.532 -7.029 -0.230 1.00 0.42 C ATOM 520 CG2 VAL A 34 6.479 -6.028 0.921 1.00 0.34 C ATOM 0 H VAL A 34 5.839 -7.836 -2.542 1.00 0.30 H new ATOM 0 HA VAL A 34 7.897 -7.791 -0.505 1.00 0.31 H new ATOM 0 HB VAL A 34 6.163 -6.044 -1.201 1.00 0.34 H new ATOM 0 HG11 VAL A 34 3.991 -6.116 0.020 1.00 0.42 H new ATOM 0 HG12 VAL A 34 4.158 -7.426 -1.174 1.00 0.42 H new ATOM 0 HG13 VAL A 34 4.383 -7.767 0.558 1.00 0.42 H new ATOM 0 HG21 VAL A 34 5.852 -5.158 1.115 1.00 0.34 H new ATOM 0 HG22 VAL A 34 6.406 -6.723 1.758 1.00 0.34 H new ATOM 0 HG23 VAL A 34 7.515 -5.709 0.804 1.00 0.34 H new ATOM 530 N GLY A 35 5.833 -10.218 -0.421 1.00 0.29 N ATOM 531 CA GLY A 35 5.325 -11.381 0.309 1.00 0.34 C ATOM 532 C GLY A 35 4.073 -11.115 1.159 1.00 0.28 C ATOM 533 O GLY A 35 3.793 -11.888 2.072 1.00 0.36 O ATOM 0 H GLY A 35 5.696 -10.283 -1.430 1.00 0.29 H new ATOM 0 HA2 GLY A 35 5.099 -12.171 -0.407 1.00 0.34 H new ATOM 0 HA3 GLY A 35 6.115 -11.757 0.959 1.00 0.34 H new ATOM 537 N LEU A 36 3.309 -10.049 0.888 1.00 0.32 N ATOM 538 CA LEU A 36 2.202 -9.578 1.732 1.00 0.37 C ATOM 539 C LEU A 36 1.103 -10.619 1.898 1.00 0.36 C ATOM 540 O LEU A 36 0.847 -11.097 2.996 1.00 0.37 O ATOM 541 CB LEU A 36 1.596 -8.281 1.160 1.00 0.44 C ATOM 542 CG LEU A 36 1.977 -7.069 1.999 1.00 0.58 C ATOM 543 CD1 LEU A 36 1.670 -5.743 1.300 1.00 0.55 C ATOM 544 CD2 LEU A 36 1.216 -7.115 3.310 1.00 0.87 C ATOM 0 H LEU A 36 3.446 -9.476 0.056 1.00 0.32 H new ATOM 0 HA LEU A 36 2.628 -9.386 2.717 1.00 0.37 H new ATOM 0 HB2 LEU A 36 1.940 -8.138 0.136 1.00 0.44 H new ATOM 0 HB3 LEU A 36 0.510 -8.371 1.122 1.00 0.44 H new ATOM 0 HG LEU A 36 3.054 -7.114 2.161 1.00 0.58 H new ATOM 0 HD11 LEU A 36 1.963 -4.915 1.946 1.00 0.55 H new ATOM 0 HD12 LEU A 36 2.226 -5.688 0.364 1.00 0.55 H new ATOM 0 HD13 LEU A 36 0.602 -5.680 1.091 1.00 0.55 H new ATOM 0 HD21 LEU A 36 1.484 -6.250 3.917 1.00 0.87 H new ATOM 0 HD22 LEU A 36 0.145 -7.100 3.110 1.00 0.87 H new ATOM 0 HD23 LEU A 36 1.472 -8.028 3.847 1.00 0.87 H new ATOM 556 N LYS A 37 0.499 -10.990 0.768 1.00 0.37 N ATOM 557 CA LYS A 37 -0.445 -12.123 0.627 1.00 0.41 C ATOM 558 C LYS A 37 0.079 -13.454 1.215 1.00 0.39 C ATOM 559 O LYS A 37 -0.721 -14.346 1.478 1.00 0.43 O ATOM 560 CB LYS A 37 -0.816 -12.359 -0.852 1.00 0.52 C ATOM 561 CG LYS A 37 -1.805 -11.344 -1.449 1.00 0.68 C ATOM 562 CD LYS A 37 -2.403 -11.836 -2.774 1.00 0.68 C ATOM 563 CE LYS A 37 -1.360 -11.951 -3.891 1.00 0.62 C ATOM 564 NZ LYS A 37 -1.992 -12.309 -5.182 1.00 1.22 N ATOM 0 H LYS A 37 0.653 -10.498 -0.112 1.00 0.37 H new ATOM 0 HA LYS A 37 -1.322 -11.827 1.203 1.00 0.41 H new ATOM 0 HB2 LYS A 37 0.098 -12.344 -1.446 1.00 0.52 H new ATOM 0 HB3 LYS A 37 -1.243 -13.357 -0.948 1.00 0.52 H new ATOM 0 HG2 LYS A 37 -2.608 -11.157 -0.736 1.00 0.68 H new ATOM 0 HG3 LYS A 37 -1.296 -10.394 -1.611 1.00 0.68 H new ATOM 0 HD2 LYS A 37 -2.870 -12.809 -2.618 1.00 0.68 H new ATOM 0 HD3 LYS A 37 -3.191 -11.151 -3.088 1.00 0.68 H new ATOM 0 HE2 LYS A 37 -0.828 -11.005 -3.994 1.00 0.62 H new ATOM 0 HE3 LYS A 37 -0.620 -12.705 -3.624 1.00 0.62 H new ATOM 0 HZ1 LYS A 37 -1.254 -12.463 -5.899 1.00 1.22 H new ATOM 0 HZ2 LYS A 37 -2.549 -13.180 -5.066 1.00 1.22 H new ATOM 0 HZ3 LYS A 37 -2.617 -11.536 -5.489 1.00 1.22 H new ATOM 578 N LYS A 38 1.401 -13.603 1.396 1.00 0.38 N ATOM 579 CA LYS A 38 2.076 -14.756 2.021 1.00 0.41 C ATOM 580 C LYS A 38 2.187 -14.610 3.549 1.00 0.39 C ATOM 581 O LYS A 38 2.270 -15.618 4.250 1.00 0.52 O ATOM 582 CB LYS A 38 3.435 -14.971 1.307 1.00 0.49 C ATOM 583 CG LYS A 38 4.678 -15.193 2.192 1.00 1.23 C ATOM 584 CD LYS A 38 5.949 -15.206 1.329 1.00 1.25 C ATOM 585 CE LYS A 38 7.141 -15.790 2.095 1.00 1.92 C ATOM 586 NZ LYS A 38 8.377 -15.750 1.276 1.00 2.53 N ATOM 0 H LYS A 38 2.063 -12.887 1.096 1.00 0.38 H new ATOM 0 HA LYS A 38 1.476 -15.657 1.889 1.00 0.41 H new ATOM 0 HB2 LYS A 38 3.335 -15.832 0.646 1.00 0.49 H new ATOM 0 HB3 LYS A 38 3.623 -14.104 0.674 1.00 0.49 H new ATOM 0 HG2 LYS A 38 4.746 -14.404 2.940 1.00 1.23 H new ATOM 0 HG3 LYS A 38 4.586 -16.136 2.731 1.00 1.23 H new ATOM 0 HD2 LYS A 38 5.772 -15.792 0.427 1.00 1.25 H new ATOM 0 HD3 LYS A 38 6.183 -14.191 1.008 1.00 1.25 H new ATOM 0 HE2 LYS A 38 7.294 -15.229 3.017 1.00 1.92 H new ATOM 0 HE3 LYS A 38 6.924 -16.819 2.381 1.00 1.92 H new ATOM 0 HZ1 LYS A 38 9.167 -16.152 1.820 1.00 2.53 H new ATOM 0 HZ2 LYS A 38 8.236 -16.306 0.408 1.00 2.53 H new ATOM 0 HZ3 LYS A 38 8.595 -14.765 1.025 1.00 2.53 H new ATOM 600 N LYS A 39 2.186 -13.378 4.066 1.00 0.35 N ATOM 601 CA LYS A 39 2.097 -13.042 5.486 1.00 0.40 C ATOM 602 C LYS A 39 0.674 -13.255 6.032 1.00 0.35 C ATOM 603 O LYS A 39 -0.292 -13.374 5.283 1.00 0.38 O ATOM 604 CB LYS A 39 2.592 -11.590 5.667 1.00 0.50 C ATOM 605 CG LYS A 39 3.783 -11.507 6.626 1.00 1.14 C ATOM 606 CD LYS A 39 5.056 -12.178 6.085 1.00 0.63 C ATOM 607 CE LYS A 39 6.139 -12.009 7.151 1.00 1.79 C ATOM 608 NZ LYS A 39 6.848 -13.256 7.500 1.00 1.91 N ATOM 0 H LYS A 39 2.250 -12.549 3.475 1.00 0.35 H new ATOM 0 HA LYS A 39 2.731 -13.710 6.069 1.00 0.40 H new ATOM 0 HB2 LYS A 39 2.877 -11.180 4.698 1.00 0.50 H new ATOM 0 HB3 LYS A 39 1.777 -10.973 6.046 1.00 0.50 H new ATOM 0 HG2 LYS A 39 3.996 -10.459 6.837 1.00 1.14 H new ATOM 0 HG3 LYS A 39 3.510 -11.974 7.572 1.00 1.14 H new ATOM 0 HD2 LYS A 39 4.878 -13.234 5.880 1.00 0.63 H new ATOM 0 HD3 LYS A 39 5.364 -11.719 5.146 1.00 0.63 H new ATOM 0 HE2 LYS A 39 6.867 -11.277 6.800 1.00 1.79 H new ATOM 0 HE3 LYS A 39 5.684 -11.599 8.053 1.00 1.79 H new ATOM 0 HZ1 LYS A 39 7.564 -13.056 8.227 1.00 1.91 H new ATOM 0 HZ2 LYS A 39 6.167 -13.952 7.866 1.00 1.91 H new ATOM 0 HZ3 LYS A 39 7.313 -13.640 6.653 1.00 1.91 H new ATOM 622 N SER A 40 0.563 -13.343 7.361 1.00 0.32 N ATOM 623 CA SER A 40 -0.692 -13.672 8.052 1.00 0.31 C ATOM 624 C SER A 40 -1.661 -12.480 8.127 1.00 0.43 C ATOM 625 O SER A 40 -1.262 -11.330 7.951 1.00 0.43 O ATOM 626 CB SER A 40 -0.371 -14.193 9.458 1.00 0.39 C ATOM 627 OG SER A 40 -1.539 -14.720 10.053 1.00 1.44 O ATOM 0 H SER A 40 1.347 -13.187 7.995 1.00 0.32 H new ATOM 0 HA SER A 40 -1.199 -14.443 7.472 1.00 0.31 H new ATOM 0 HB2 SER A 40 0.399 -14.963 9.403 1.00 0.39 H new ATOM 0 HB3 SER A 40 0.028 -13.386 10.072 1.00 0.39 H new ATOM 0 HG SER A 40 -1.327 -15.053 10.950 1.00 1.44 H new ATOM 633 N ALA A 41 -2.927 -12.747 8.475 1.00 0.60 N ATOM 634 CA ALA A 41 -3.969 -11.744 8.720 1.00 0.74 C ATOM 635 C ALA A 41 -3.536 -10.704 9.760 1.00 0.72 C ATOM 636 O ALA A 41 -3.639 -9.500 9.522 1.00 0.70 O ATOM 637 CB ALA A 41 -5.240 -12.461 9.184 1.00 0.97 C ATOM 0 H ALA A 41 -3.264 -13.702 8.598 1.00 0.60 H new ATOM 0 HA ALA A 41 -4.155 -11.204 7.792 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -6.024 -11.727 9.370 1.00 0.97 H new ATOM 0 HB2 ALA A 41 -5.569 -13.155 8.411 1.00 0.97 H new ATOM 0 HB3 ALA A 41 -5.033 -13.011 10.102 1.00 0.97 H new ATOM 643 N ASP A 42 -3.003 -11.174 10.895 1.00 0.75 N ATOM 644 CA ASP A 42 -2.447 -10.337 11.952 1.00 0.82 C ATOM 645 C ASP A 42 -1.333 -9.411 11.455 1.00 0.65 C ATOM 646 O ASP A 42 -1.201 -8.288 11.942 1.00 0.72 O ATOM 647 CB ASP A 42 -1.871 -11.237 13.048 1.00 1.06 C ATOM 648 CG ASP A 42 -2.970 -11.919 13.843 1.00 1.57 C ATOM 649 OD1 ASP A 42 -3.522 -12.905 13.309 1.00 2.65 O ATOM 650 OD2 ASP A 42 -3.228 -11.417 14.961 1.00 2.64 O ATOM 0 H ASP A 42 -2.948 -12.171 11.103 1.00 0.75 H new ATOM 0 HA ASP A 42 -3.258 -9.712 12.326 1.00 0.82 H new ATOM 0 HB2 ASP A 42 -1.224 -11.991 12.599 1.00 1.06 H new ATOM 0 HB3 ASP A 42 -1.250 -10.643 13.719 1.00 1.06 H new ATOM 655 N ASP A 43 -0.530 -9.886 10.499 1.00 0.53 N ATOM 656 CA ASP A 43 0.514 -9.101 9.861 1.00 0.45 C ATOM 657 C ASP A 43 -0.098 -8.081 8.902 1.00 0.36 C ATOM 658 O ASP A 43 0.154 -6.894 9.048 1.00 0.41 O ATOM 659 CB ASP A 43 1.512 -10.018 9.149 1.00 0.45 C ATOM 660 CG ASP A 43 2.866 -9.325 9.086 1.00 0.96 C ATOM 661 OD1 ASP A 43 3.045 -8.458 8.204 1.00 2.07 O ATOM 662 OD2 ASP A 43 3.684 -9.651 9.968 1.00 1.79 O ATOM 0 H ASP A 43 -0.593 -10.841 10.146 1.00 0.53 H new ATOM 0 HA ASP A 43 1.060 -8.549 10.626 1.00 0.45 H new ATOM 0 HB2 ASP A 43 1.599 -10.965 9.681 1.00 0.45 H new ATOM 0 HB3 ASP A 43 1.160 -10.248 8.143 1.00 0.45 H new ATOM 667 N VAL A 44 -0.984 -8.515 7.995 1.00 0.35 N ATOM 668 CA VAL A 44 -1.763 -7.668 7.084 1.00 0.37 C ATOM 669 C VAL A 44 -2.464 -6.514 7.827 1.00 0.36 C ATOM 670 O VAL A 44 -2.361 -5.365 7.397 1.00 0.42 O ATOM 671 CB VAL A 44 -2.690 -8.580 6.242 1.00 0.48 C ATOM 672 CG1 VAL A 44 -4.089 -8.033 5.972 1.00 0.84 C ATOM 673 CG2 VAL A 44 -2.022 -8.893 4.895 1.00 0.66 C ATOM 0 H VAL A 44 -1.185 -9.507 7.872 1.00 0.35 H new ATOM 0 HA VAL A 44 -1.110 -7.147 6.385 1.00 0.37 H new ATOM 0 HB VAL A 44 -2.830 -9.471 6.854 1.00 0.48 H new ATOM 0 HG11 VAL A 44 -4.652 -8.751 5.375 1.00 0.84 H new ATOM 0 HG12 VAL A 44 -4.603 -7.866 6.918 1.00 0.84 H new ATOM 0 HG13 VAL A 44 -4.013 -7.091 5.429 1.00 0.84 H new ATOM 0 HG21 VAL A 44 -2.676 -9.535 4.305 1.00 0.66 H new ATOM 0 HG22 VAL A 44 -1.841 -7.964 4.354 1.00 0.66 H new ATOM 0 HG23 VAL A 44 -1.074 -9.403 5.069 1.00 0.66 H new ATOM 683 N LYS A 45 -3.071 -6.763 8.999 1.00 0.33 N ATOM 684 CA LYS A 45 -3.549 -5.743 9.940 1.00 0.37 C ATOM 685 C LYS A 45 -2.456 -4.698 10.251 1.00 0.41 C ATOM 686 O LYS A 45 -2.685 -3.494 10.116 1.00 0.58 O ATOM 687 CB LYS A 45 -4.128 -6.496 11.153 1.00 0.44 C ATOM 688 CG LYS A 45 -4.044 -5.749 12.481 1.00 1.95 C ATOM 689 CD LYS A 45 -4.951 -4.520 12.642 1.00 2.55 C ATOM 690 CE LYS A 45 -6.412 -4.910 12.884 1.00 2.73 C ATOM 691 NZ LYS A 45 -7.231 -3.719 13.215 1.00 4.04 N ATOM 0 H LYS A 45 -3.247 -7.713 9.326 1.00 0.33 H new ATOM 0 HA LYS A 45 -4.345 -5.129 9.519 1.00 0.37 H new ATOM 0 HB2 LYS A 45 -5.173 -6.729 10.951 1.00 0.44 H new ATOM 0 HB3 LYS A 45 -3.604 -7.446 11.255 1.00 0.44 H new ATOM 0 HG2 LYS A 45 -4.278 -6.451 13.281 1.00 1.95 H new ATOM 0 HG3 LYS A 45 -3.012 -5.431 12.627 1.00 1.95 H new ATOM 0 HD2 LYS A 45 -4.595 -3.914 13.475 1.00 2.55 H new ATOM 0 HD3 LYS A 45 -4.885 -3.901 11.747 1.00 2.55 H new ATOM 0 HE2 LYS A 45 -6.814 -5.397 11.996 1.00 2.73 H new ATOM 0 HE3 LYS A 45 -6.469 -5.633 13.698 1.00 2.73 H new ATOM 0 HZ1 LYS A 45 -8.217 -4.009 13.375 1.00 4.04 H new ATOM 0 HZ2 LYS A 45 -6.859 -3.270 14.076 1.00 4.04 H new ATOM 0 HZ3 LYS A 45 -7.193 -3.041 12.427 1.00 4.04 H new ATOM 705 N LYS A 46 -1.276 -5.161 10.682 1.00 0.33 N ATOM 706 CA LYS A 46 -0.114 -4.364 11.114 1.00 0.40 C ATOM 707 C LYS A 46 0.654 -3.718 9.948 1.00 0.50 C ATOM 708 O LYS A 46 1.399 -2.767 10.195 1.00 0.80 O ATOM 709 CB LYS A 46 0.805 -5.265 11.962 1.00 0.50 C ATOM 710 CG LYS A 46 0.137 -5.628 13.304 1.00 0.95 C ATOM 711 CD LYS A 46 0.725 -6.885 13.962 1.00 1.53 C ATOM 712 CE LYS A 46 -0.337 -7.497 14.889 1.00 1.72 C ATOM 713 NZ LYS A 46 -0.016 -8.893 15.261 1.00 2.28 N ATOM 0 H LYS A 46 -1.093 -6.163 10.743 1.00 0.33 H new ATOM 0 HA LYS A 46 -0.479 -3.526 11.709 1.00 0.40 H new ATOM 0 HB2 LYS A 46 1.038 -6.175 11.410 1.00 0.50 H new ATOM 0 HB3 LYS A 46 1.750 -4.754 12.148 1.00 0.50 H new ATOM 0 HG2 LYS A 46 0.239 -4.787 13.990 1.00 0.95 H new ATOM 0 HG3 LYS A 46 -0.930 -5.779 13.140 1.00 0.95 H new ATOM 0 HD2 LYS A 46 1.023 -7.606 13.201 1.00 1.53 H new ATOM 0 HD3 LYS A 46 1.621 -6.631 14.529 1.00 1.53 H new ATOM 0 HE2 LYS A 46 -0.421 -6.892 15.792 1.00 1.72 H new ATOM 0 HE3 LYS A 46 -1.308 -7.468 14.395 1.00 1.72 H new ATOM 0 HZ1 LYS A 46 -0.879 -9.373 15.587 1.00 2.28 H new ATOM 0 HZ2 LYS A 46 0.367 -9.393 14.434 1.00 2.28 H new ATOM 0 HZ3 LYS A 46 0.690 -8.895 16.025 1.00 2.28 H new ATOM 727 N VAL A 47 0.443 -4.199 8.717 1.00 0.34 N ATOM 728 CA VAL A 47 0.810 -3.593 7.429 1.00 0.31 C ATOM 729 C VAL A 47 -0.027 -2.338 7.219 1.00 0.33 C ATOM 730 O VAL A 47 0.532 -1.243 7.220 1.00 0.34 O ATOM 731 CB VAL A 47 0.646 -4.609 6.273 1.00 0.34 C ATOM 732 CG1 VAL A 47 0.756 -4.005 4.861 1.00 0.41 C ATOM 733 CG2 VAL A 47 1.639 -5.772 6.431 1.00 0.44 C ATOM 0 H VAL A 47 -0.027 -5.095 8.584 1.00 0.34 H new ATOM 0 HA VAL A 47 1.862 -3.309 7.439 1.00 0.31 H new ATOM 0 HB VAL A 47 -0.378 -4.973 6.357 1.00 0.34 H new ATOM 0 HG11 VAL A 47 0.628 -4.792 4.118 1.00 0.41 H new ATOM 0 HG12 VAL A 47 -0.019 -3.250 4.727 1.00 0.41 H new ATOM 0 HG13 VAL A 47 1.736 -3.545 4.737 1.00 0.41 H new ATOM 0 HG21 VAL A 47 1.509 -6.476 5.609 1.00 0.44 H new ATOM 0 HG22 VAL A 47 2.658 -5.385 6.419 1.00 0.44 H new ATOM 0 HG23 VAL A 47 1.456 -6.281 7.377 1.00 0.44 H new ATOM 743 N PHE A 48 -1.357 -2.450 7.090 1.00 0.36 N ATOM 744 CA PHE A 48 -2.215 -1.290 6.871 1.00 0.36 C ATOM 745 C PHE A 48 -2.065 -0.224 7.970 1.00 0.36 C ATOM 746 O PHE A 48 -1.970 0.967 7.664 1.00 0.41 O ATOM 747 CB PHE A 48 -3.646 -1.798 6.767 1.00 0.41 C ATOM 748 CG PHE A 48 -4.660 -0.695 6.664 1.00 0.43 C ATOM 749 CD1 PHE A 48 -4.748 0.064 5.486 1.00 1.83 C ATOM 750 CD2 PHE A 48 -5.521 -0.442 7.748 1.00 1.53 C ATOM 751 CE1 PHE A 48 -5.720 1.068 5.388 1.00 1.93 C ATOM 752 CE2 PHE A 48 -6.509 0.540 7.633 1.00 1.49 C ATOM 753 CZ PHE A 48 -6.604 1.292 6.452 1.00 0.70 C ATOM 0 H PHE A 48 -1.857 -3.338 7.135 1.00 0.36 H new ATOM 0 HA PHE A 48 -1.920 -0.786 5.950 1.00 0.36 H new ATOM 0 HB2 PHE A 48 -3.732 -2.445 5.894 1.00 0.41 H new ATOM 0 HB3 PHE A 48 -3.872 -2.410 7.640 1.00 0.41 H new ATOM 0 HD1 PHE A 48 -4.073 -0.124 4.664 1.00 1.83 H new ATOM 0 HD2 PHE A 48 -5.419 -1.004 8.665 1.00 1.53 H new ATOM 0 HE1 PHE A 48 -5.788 1.669 4.493 1.00 1.93 H new ATOM 0 HE2 PHE A 48 -7.195 0.719 8.448 1.00 1.49 H new ATOM 0 HZ PHE A 48 -7.367 2.051 6.362 1.00 0.70 H new ATOM 763 N HIS A 49 -1.934 -0.647 9.235 1.00 0.38 N ATOM 764 CA HIS A 49 -1.629 0.247 10.357 1.00 0.45 C ATOM 765 C HIS A 49 -0.282 0.984 10.247 1.00 0.58 C ATOM 766 O HIS A 49 -0.046 1.894 11.042 1.00 0.95 O ATOM 767 CB HIS A 49 -1.699 -0.527 11.688 1.00 0.52 C ATOM 768 CG HIS A 49 -2.945 -0.296 12.510 1.00 1.28 C ATOM 769 ND1 HIS A 49 -3.752 0.825 12.517 1.00 2.39 N ATOM 770 CD2 HIS A 49 -3.417 -1.147 13.473 1.00 2.53 C ATOM 771 CE1 HIS A 49 -4.692 0.643 13.462 1.00 2.96 C ATOM 772 NE2 HIS A 49 -4.537 -0.552 14.058 1.00 3.03 N ATOM 0 H HIS A 49 -2.037 -1.624 9.508 1.00 0.38 H new ATOM 0 HA HIS A 49 -2.392 1.024 10.324 1.00 0.45 H new ATOM 0 HB2 HIS A 49 -1.619 -1.593 11.473 1.00 0.52 H new ATOM 0 HB3 HIS A 49 -0.832 -0.257 12.291 1.00 0.52 H new ATOM 0 HD2 HIS A 49 -2.998 -2.108 13.734 1.00 2.53 H new ATOM 0 HE1 HIS A 49 -5.464 1.357 13.708 1.00 2.96 H new ATOM 0 HE2 HIS A 49 -5.123 -0.947 14.794 1.00 3.03 H new ATOM 780 N MET A 50 0.599 0.636 9.303 1.00 0.37 N ATOM 781 CA MET A 50 1.826 1.382 9.026 1.00 0.45 C ATOM 782 C MET A 50 1.652 2.394 7.881 1.00 0.47 C ATOM 783 O MET A 50 2.274 3.454 7.912 1.00 0.52 O ATOM 784 CB MET A 50 2.949 0.380 8.727 1.00 0.59 C ATOM 785 CG MET A 50 4.323 1.011 8.938 1.00 0.69 C ATOM 786 SD MET A 50 4.753 1.423 10.651 1.00 1.20 S ATOM 787 CE MET A 50 4.904 3.222 10.467 1.00 1.71 C ATOM 0 H MET A 50 0.477 -0.181 8.705 1.00 0.37 H new ATOM 0 HA MET A 50 2.084 1.974 9.904 1.00 0.45 H new ATOM 0 HB2 MET A 50 2.843 -0.492 9.373 1.00 0.59 H new ATOM 0 HB3 MET A 50 2.862 0.028 7.699 1.00 0.59 H new ATOM 0 HG2 MET A 50 5.078 0.328 8.549 1.00 0.69 H new ATOM 0 HG3 MET A 50 4.378 1.921 8.341 1.00 0.69 H new ATOM 0 HE1 MET A 50 5.168 3.665 11.427 1.00 1.71 H new ATOM 0 HE2 MET A 50 5.681 3.449 9.737 1.00 1.71 H new ATOM 0 HE3 MET A 50 3.954 3.634 10.126 1.00 1.71 H new ATOM 797 N LEU A 51 0.797 2.086 6.894 1.00 0.49 N ATOM 798 CA LEU A 51 0.449 2.982 5.785 1.00 0.51 C ATOM 799 C LEU A 51 -0.494 4.110 6.222 1.00 0.49 C ATOM 800 O LEU A 51 -0.390 5.207 5.680 1.00 0.57 O ATOM 801 CB LEU A 51 -0.257 2.205 4.667 1.00 0.54 C ATOM 802 CG LEU A 51 0.610 1.346 3.738 1.00 0.82 C ATOM 803 CD1 LEU A 51 1.225 0.127 4.423 1.00 1.98 C ATOM 804 CD2 LEU A 51 -0.316 0.843 2.630 1.00 1.80 C ATOM 0 H LEU A 51 0.319 1.186 6.845 1.00 0.49 H new ATOM 0 HA LEU A 51 1.389 3.410 5.436 1.00 0.51 H new ATOM 0 HB2 LEU A 51 -1.000 1.555 5.128 1.00 0.54 H new ATOM 0 HB3 LEU A 51 -0.799 2.922 4.051 1.00 0.54 H new ATOM 0 HG LEU A 51 1.439 1.958 3.382 1.00 0.82 H new ATOM 0 HD11 LEU A 51 1.824 -0.431 3.703 1.00 1.98 H new ATOM 0 HD12 LEU A 51 1.859 0.454 5.247 1.00 1.98 H new ATOM 0 HD13 LEU A 51 0.431 -0.513 4.808 1.00 1.98 H new ATOM 0 HD21 LEU A 51 0.251 0.223 1.936 1.00 1.80 H new ATOM 0 HD22 LEU A 51 -1.121 0.254 3.068 1.00 1.80 H new ATOM 0 HD23 LEU A 51 -0.738 1.693 2.095 1.00 1.80 H new ATOM 816 N ASP A 52 -1.414 3.847 7.164 1.00 0.46 N ATOM 817 CA ASP A 52 -2.292 4.871 7.738 1.00 0.47 C ATOM 818 C ASP A 52 -1.478 5.847 8.614 1.00 0.54 C ATOM 819 O ASP A 52 -1.319 5.669 9.826 1.00 0.78 O ATOM 820 CB ASP A 52 -3.483 4.230 8.474 1.00 0.51 C ATOM 821 CG ASP A 52 -4.589 5.251 8.774 1.00 0.80 C ATOM 822 OD1 ASP A 52 -4.328 6.475 8.820 1.00 2.39 O ATOM 823 OD2 ASP A 52 -5.766 4.868 8.910 1.00 1.48 O ATOM 0 H ASP A 52 -1.568 2.915 7.548 1.00 0.46 H new ATOM 0 HA ASP A 52 -2.726 5.465 6.933 1.00 0.47 H new ATOM 0 HB2 ASP A 52 -3.891 3.421 7.868 1.00 0.51 H new ATOM 0 HB3 ASP A 52 -3.136 3.786 9.407 1.00 0.51 H new ATOM 828 N LYS A 53 -0.952 6.893 7.972 1.00 0.56 N ATOM 829 CA LYS A 53 0.002 7.902 8.461 1.00 0.82 C ATOM 830 C LYS A 53 -0.687 9.001 9.288 1.00 1.07 C ATOM 831 O LYS A 53 -0.317 10.171 9.255 1.00 2.11 O ATOM 832 CB LYS A 53 0.755 8.438 7.227 1.00 1.09 C ATOM 833 CG LYS A 53 1.812 7.428 6.734 1.00 1.51 C ATOM 834 CD LYS A 53 3.205 7.731 7.294 1.00 1.70 C ATOM 835 CE LYS A 53 3.792 8.956 6.584 1.00 2.37 C ATOM 836 NZ LYS A 53 5.131 9.300 7.112 1.00 3.14 N ATOM 0 H LYS A 53 -1.206 7.076 7.001 1.00 0.56 H new ATOM 0 HA LYS A 53 0.714 7.461 9.158 1.00 0.82 H new ATOM 0 HB2 LYS A 53 0.045 8.645 6.426 1.00 1.09 H new ATOM 0 HB3 LYS A 53 1.239 9.382 7.475 1.00 1.09 H new ATOM 0 HG2 LYS A 53 1.515 6.421 7.028 1.00 1.51 H new ATOM 0 HG3 LYS A 53 1.848 7.445 5.645 1.00 1.51 H new ATOM 0 HD2 LYS A 53 3.144 7.915 8.367 1.00 1.70 H new ATOM 0 HD3 LYS A 53 3.859 6.870 7.155 1.00 1.70 H new ATOM 0 HE2 LYS A 53 3.861 8.759 5.514 1.00 2.37 H new ATOM 0 HE3 LYS A 53 3.121 9.806 6.709 1.00 2.37 H new ATOM 0 HZ1 LYS A 53 5.499 10.133 6.610 1.00 3.14 H new ATOM 0 HZ2 LYS A 53 5.060 9.512 8.128 1.00 3.14 H new ATOM 0 HZ3 LYS A 53 5.777 8.497 6.970 1.00 3.14 H new ATOM 850 N ASP A 54 -1.707 8.578 10.027 1.00 0.76 N ATOM 851 CA ASP A 54 -2.686 9.371 10.777 1.00 0.81 C ATOM 852 C ASP A 54 -3.371 8.489 11.831 1.00 0.84 C ATOM 853 O ASP A 54 -3.576 8.956 12.948 1.00 1.14 O ATOM 854 CB ASP A 54 -3.693 9.973 9.782 1.00 1.01 C ATOM 855 CG ASP A 54 -5.154 9.914 10.228 1.00 1.23 C ATOM 856 OD1 ASP A 54 -5.773 8.866 9.910 1.00 1.57 O ATOM 857 OD2 ASP A 54 -5.639 10.878 10.851 1.00 2.56 O ATOM 0 H ASP A 54 -1.890 7.580 10.128 1.00 0.76 H new ATOM 0 HA ASP A 54 -2.198 10.187 11.309 1.00 0.81 H new ATOM 0 HB2 ASP A 54 -3.425 11.014 9.602 1.00 1.01 H new ATOM 0 HB3 ASP A 54 -3.598 9.450 8.830 1.00 1.01 H new ATOM 862 N LYS A 55 -3.666 7.222 11.472 1.00 0.78 N ATOM 863 CA LYS A 55 -4.023 6.058 12.309 1.00 0.92 C ATOM 864 C LYS A 55 -5.531 5.735 12.272 1.00 1.09 C ATOM 865 O LYS A 55 -5.924 4.741 12.878 1.00 1.90 O ATOM 866 CB LYS A 55 -3.513 6.221 13.765 1.00 1.11 C ATOM 867 CG LYS A 55 -3.185 4.938 14.552 1.00 1.75 C ATOM 868 CD LYS A 55 -1.693 4.562 14.521 1.00 1.60 C ATOM 869 CE LYS A 55 -1.335 3.747 13.280 1.00 1.87 C ATOM 870 NZ LYS A 55 0.111 3.439 13.237 1.00 2.59 N ATOM 0 H LYS A 55 -3.659 6.963 10.486 1.00 0.78 H new ATOM 0 HA LYS A 55 -3.512 5.200 11.872 1.00 0.92 H new ATOM 0 HB2 LYS A 55 -2.615 6.839 13.740 1.00 1.11 H new ATOM 0 HB3 LYS A 55 -4.266 6.776 14.325 1.00 1.11 H new ATOM 0 HG2 LYS A 55 -3.497 5.067 15.588 1.00 1.75 H new ATOM 0 HG3 LYS A 55 -3.768 4.112 14.144 1.00 1.75 H new ATOM 0 HD2 LYS A 55 -1.090 5.469 14.545 1.00 1.60 H new ATOM 0 HD3 LYS A 55 -1.444 3.990 15.415 1.00 1.60 H new ATOM 0 HE2 LYS A 55 -1.907 2.819 13.275 1.00 1.87 H new ATOM 0 HE3 LYS A 55 -1.618 4.301 12.385 1.00 1.87 H new ATOM 0 HZ1 LYS A 55 0.350 3.021 12.315 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 0.657 4.314 13.371 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 0.345 2.765 13.994 1.00 2.59 H new ATOM 884 N SER A 56 -6.370 6.528 11.577 1.00 0.51 N ATOM 885 CA SER A 56 -7.845 6.459 11.649 1.00 0.51 C ATOM 886 C SER A 56 -8.490 5.099 11.336 1.00 0.52 C ATOM 887 O SER A 56 -9.606 4.855 11.794 1.00 0.77 O ATOM 888 CB SER A 56 -8.497 7.535 10.761 1.00 0.61 C ATOM 889 OG SER A 56 -8.354 7.251 9.374 1.00 0.76 O ATOM 0 H SER A 56 -6.036 7.249 10.937 1.00 0.51 H new ATOM 0 HA SER A 56 -8.042 6.637 12.706 1.00 0.51 H new ATOM 0 HB2 SER A 56 -9.556 7.612 11.006 1.00 0.61 H new ATOM 0 HB3 SER A 56 -8.048 8.504 10.979 1.00 0.61 H new ATOM 0 HG SER A 56 -7.518 7.643 9.044 1.00 0.76 H new ATOM 895 N GLY A 57 -7.819 4.220 10.582 1.00 0.47 N ATOM 896 CA GLY A 57 -8.344 2.941 10.101 1.00 0.52 C ATOM 897 C GLY A 57 -8.728 2.965 8.617 1.00 0.42 C ATOM 898 O GLY A 57 -9.378 2.037 8.143 1.00 0.43 O ATOM 0 H GLY A 57 -6.859 4.389 10.280 1.00 0.47 H new ATOM 0 HA2 GLY A 57 -7.596 2.165 10.264 1.00 0.52 H new ATOM 0 HA3 GLY A 57 -9.219 2.670 10.692 1.00 0.52 H new ATOM 902 N PHE A 58 -8.335 4.017 7.890 1.00 0.39 N ATOM 903 CA PHE A 58 -8.741 4.347 6.521 1.00 0.34 C ATOM 904 C PHE A 58 -7.586 5.117 5.857 1.00 0.40 C ATOM 905 O PHE A 58 -7.026 6.010 6.498 1.00 0.75 O ATOM 906 CB PHE A 58 -10.010 5.224 6.585 1.00 0.39 C ATOM 907 CG PHE A 58 -11.098 4.764 7.548 1.00 0.52 C ATOM 908 CD1 PHE A 58 -11.858 3.608 7.281 1.00 1.46 C ATOM 909 CD2 PHE A 58 -11.306 5.463 8.753 1.00 2.15 C ATOM 910 CE1 PHE A 58 -12.796 3.145 8.224 1.00 1.46 C ATOM 911 CE2 PHE A 58 -12.239 5.000 9.696 1.00 2.38 C ATOM 912 CZ PHE A 58 -12.983 3.838 9.434 1.00 1.14 C ATOM 0 H PHE A 58 -7.683 4.704 8.268 1.00 0.39 H new ATOM 0 HA PHE A 58 -8.960 3.450 5.942 1.00 0.34 H new ATOM 0 HB2 PHE A 58 -9.714 6.236 6.861 1.00 0.39 H new ATOM 0 HB3 PHE A 58 -10.439 5.279 5.585 1.00 0.39 H new ATOM 0 HD1 PHE A 58 -11.721 3.076 6.351 1.00 1.46 H new ATOM 0 HD2 PHE A 58 -10.743 6.363 8.954 1.00 2.15 H new ATOM 0 HE1 PHE A 58 -13.373 2.256 8.018 1.00 1.46 H new ATOM 0 HE2 PHE A 58 -12.384 5.537 10.622 1.00 2.38 H new ATOM 0 HZ PHE A 58 -13.697 3.477 10.160 1.00 1.14 H new ATOM 922 N ILE A 59 -7.215 4.817 4.601 1.00 0.25 N ATOM 923 CA ILE A 59 -6.318 5.705 3.831 1.00 0.27 C ATOM 924 C ILE A 59 -7.127 6.481 2.792 1.00 0.28 C ATOM 925 O ILE A 59 -7.839 5.897 1.976 1.00 0.33 O ATOM 926 CB ILE A 59 -5.158 4.946 3.167 1.00 0.40 C ATOM 927 CG1 ILE A 59 -4.285 4.237 4.222 1.00 0.64 C ATOM 928 CG2 ILE A 59 -4.266 5.875 2.318 1.00 0.67 C ATOM 929 CD1 ILE A 59 -3.470 3.122 3.575 1.00 0.86 C ATOM 0 H ILE A 59 -7.515 3.980 4.100 1.00 0.25 H new ATOM 0 HA ILE A 59 -5.864 6.403 4.534 1.00 0.27 H new ATOM 0 HB ILE A 59 -5.612 4.205 2.508 1.00 0.40 H new ATOM 0 HG12 ILE A 59 -3.617 4.957 4.694 1.00 0.64 H new ATOM 0 HG13 ILE A 59 -4.917 3.825 5.009 1.00 0.64 H new ATOM 0 HG21 ILE A 59 -3.460 5.295 1.869 1.00 0.67 H new ATOM 0 HG22 ILE A 59 -4.864 6.335 1.531 1.00 0.67 H new ATOM 0 HG23 ILE A 59 -3.842 6.653 2.953 1.00 0.67 H new ATOM 0 HD11 ILE A 59 -2.859 2.631 4.333 1.00 0.86 H new ATOM 0 HD12 ILE A 59 -4.144 2.393 3.124 1.00 0.86 H new ATOM 0 HD13 ILE A 59 -2.824 3.543 2.805 1.00 0.86 H new ATOM 941 N GLU A 60 -6.964 7.799 2.839 1.00 0.39 N ATOM 942 CA GLU A 60 -7.615 8.843 2.052 1.00 0.46 C ATOM 943 C GLU A 60 -6.572 9.575 1.178 1.00 0.44 C ATOM 944 O GLU A 60 -5.368 9.482 1.439 1.00 0.44 O ATOM 945 CB GLU A 60 -8.303 9.861 2.996 1.00 0.60 C ATOM 946 CG GLU A 60 -9.133 9.288 4.172 1.00 1.46 C ATOM 947 CD GLU A 60 -8.315 8.892 5.428 1.00 1.25 C ATOM 948 OE1 GLU A 60 -7.074 8.782 5.322 1.00 1.52 O ATOM 949 OE2 GLU A 60 -8.905 8.662 6.511 1.00 2.22 O ATOM 0 H GLU A 60 -6.302 8.206 3.500 1.00 0.39 H new ATOM 0 HA GLU A 60 -8.364 8.383 1.407 1.00 0.46 H new ATOM 0 HB2 GLU A 60 -7.532 10.511 3.411 1.00 0.60 H new ATOM 0 HB3 GLU A 60 -8.959 10.490 2.394 1.00 0.60 H new ATOM 0 HG2 GLU A 60 -9.879 10.027 4.463 1.00 1.46 H new ATOM 0 HG3 GLU A 60 -9.674 8.410 3.819 1.00 1.46 H new ATOM 956 N GLU A 61 -7.009 10.318 0.147 1.00 0.51 N ATOM 957 CA GLU A 61 -6.108 10.866 -0.887 1.00 0.54 C ATOM 958 C GLU A 61 -4.941 11.736 -0.376 1.00 0.59 C ATOM 959 O GLU A 61 -3.851 11.651 -0.945 1.00 0.59 O ATOM 960 CB GLU A 61 -6.875 11.493 -2.061 1.00 0.75 C ATOM 961 CG GLU A 61 -7.806 12.669 -1.733 1.00 1.31 C ATOM 962 CD GLU A 61 -7.254 13.981 -2.302 1.00 1.65 C ATOM 963 OE1 GLU A 61 -7.576 14.273 -3.478 1.00 2.43 O ATOM 964 OE2 GLU A 61 -6.497 14.655 -1.574 1.00 2.84 O ATOM 0 H GLU A 61 -7.991 10.556 0.005 1.00 0.51 H new ATOM 0 HA GLU A 61 -5.593 9.988 -1.277 1.00 0.54 H new ATOM 0 HB2 GLU A 61 -6.148 11.831 -2.799 1.00 0.75 H new ATOM 0 HB3 GLU A 61 -7.469 10.711 -2.534 1.00 0.75 H new ATOM 0 HG2 GLU A 61 -8.797 12.479 -2.144 1.00 1.31 H new ATOM 0 HG3 GLU A 61 -7.921 12.757 -0.653 1.00 1.31 H new ATOM 971 N ASP A 62 -5.121 12.444 0.749 1.00 0.65 N ATOM 972 CA ASP A 62 -4.079 13.142 1.514 1.00 0.72 C ATOM 973 C ASP A 62 -2.836 12.276 1.788 1.00 0.69 C ATOM 974 O ASP A 62 -1.705 12.695 1.542 1.00 0.80 O ATOM 975 CB ASP A 62 -4.670 13.581 2.865 1.00 0.73 C ATOM 976 CG ASP A 62 -5.667 14.730 2.738 1.00 2.26 C ATOM 977 OD1 ASP A 62 -5.203 15.892 2.768 1.00 2.85 O ATOM 978 OD2 ASP A 62 -6.876 14.420 2.649 1.00 3.69 O ATOM 0 H ASP A 62 -6.044 12.550 1.170 1.00 0.65 H new ATOM 0 HA ASP A 62 -3.756 13.990 0.910 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -5.164 12.729 3.333 1.00 0.73 H new ATOM 0 HB3 ASP A 62 -3.860 13.883 3.528 1.00 0.73 H new ATOM 983 N GLU A 63 -3.042 11.072 2.330 1.00 0.61 N ATOM 984 CA GLU A 63 -1.981 10.114 2.664 1.00 0.60 C ATOM 985 C GLU A 63 -1.625 9.233 1.468 1.00 0.47 C ATOM 986 O GLU A 63 -0.469 8.841 1.293 1.00 0.47 O ATOM 987 CB GLU A 63 -2.474 9.185 3.773 1.00 0.74 C ATOM 988 CG GLU A 63 -2.633 9.873 5.127 1.00 0.92 C ATOM 989 CD GLU A 63 -3.359 8.926 6.077 1.00 0.88 C ATOM 990 OE1 GLU A 63 -2.914 7.771 6.249 1.00 2.16 O ATOM 991 OE2 GLU A 63 -4.407 9.319 6.633 1.00 1.41 O ATOM 0 H GLU A 63 -3.975 10.727 2.555 1.00 0.61 H new ATOM 0 HA GLU A 63 -1.106 10.687 2.971 1.00 0.60 H new ATOM 0 HB2 GLU A 63 -3.433 8.759 3.478 1.00 0.74 H new ATOM 0 HB3 GLU A 63 -1.775 8.355 3.877 1.00 0.74 H new ATOM 0 HG2 GLU A 63 -1.657 10.139 5.532 1.00 0.92 H new ATOM 0 HG3 GLU A 63 -3.195 10.800 5.016 1.00 0.92 H new ATOM 998 N LEU A 64 -2.633 8.912 0.649 1.00 0.44 N ATOM 999 CA LEU A 64 -2.544 7.994 -0.475 1.00 0.52 C ATOM 1000 C LEU A 64 -1.485 8.415 -1.511 1.00 0.56 C ATOM 1001 O LEU A 64 -0.940 7.562 -2.207 1.00 0.73 O ATOM 1002 CB LEU A 64 -3.950 7.852 -1.062 1.00 0.69 C ATOM 1003 CG LEU A 64 -4.165 6.579 -1.885 1.00 0.60 C ATOM 1004 CD1 LEU A 64 -5.506 5.907 -1.572 1.00 0.97 C ATOM 1005 CD2 LEU A 64 -4.144 6.949 -3.360 1.00 0.95 C ATOM 0 H LEU A 64 -3.568 9.305 0.762 1.00 0.44 H new ATOM 0 HA LEU A 64 -2.193 7.020 -0.135 1.00 0.52 H new ATOM 0 HB2 LEU A 64 -4.674 7.870 -0.248 1.00 0.69 H new ATOM 0 HB3 LEU A 64 -4.157 8.717 -1.692 1.00 0.69 H new ATOM 0 HG LEU A 64 -3.370 5.877 -1.633 1.00 0.60 H new ATOM 0 HD11 LEU A 64 -5.613 5.009 -2.180 1.00 0.97 H new ATOM 0 HD12 LEU A 64 -5.540 5.637 -0.516 1.00 0.97 H new ATOM 0 HD13 LEU A 64 -6.320 6.597 -1.797 1.00 0.97 H new ATOM 0 HD21 LEU A 64 -4.296 6.053 -3.962 1.00 0.95 H new ATOM 0 HD22 LEU A 64 -4.940 7.664 -3.567 1.00 0.95 H new ATOM 0 HD23 LEU A 64 -3.181 7.395 -3.610 1.00 0.95 H new ATOM 1017 N GLY A 65 -1.119 9.703 -1.540 1.00 0.47 N ATOM 1018 CA GLY A 65 0.021 10.223 -2.294 1.00 0.56 C ATOM 1019 C GLY A 65 1.399 9.673 -1.892 1.00 0.50 C ATOM 1020 O GLY A 65 2.329 9.816 -2.679 1.00 0.46 O ATOM 0 H GLY A 65 -1.622 10.427 -1.026 1.00 0.47 H new ATOM 0 HA2 GLY A 65 -0.140 10.010 -3.351 1.00 0.56 H new ATOM 0 HA3 GLY A 65 0.039 11.308 -2.187 1.00 0.56 H new ATOM 1024 N PHE A 66 1.581 9.060 -0.711 1.00 0.55 N ATOM 1025 CA PHE A 66 2.886 8.516 -0.289 1.00 0.58 C ATOM 1026 C PHE A 66 2.779 7.354 0.721 1.00 0.54 C ATOM 1027 O PHE A 66 3.560 7.262 1.672 1.00 0.57 O ATOM 1028 CB PHE A 66 3.825 9.656 0.164 1.00 0.60 C ATOM 1029 CG PHE A 66 3.275 10.626 1.195 1.00 0.54 C ATOM 1030 CD1 PHE A 66 2.602 11.791 0.776 1.00 1.75 C ATOM 1031 CD2 PHE A 66 3.469 10.395 2.570 1.00 1.28 C ATOM 1032 CE1 PHE A 66 2.119 12.709 1.724 1.00 1.94 C ATOM 1033 CE2 PHE A 66 2.998 11.319 3.519 1.00 1.23 C ATOM 1034 CZ PHE A 66 2.322 12.478 3.096 1.00 0.94 C ATOM 0 H PHE A 66 0.837 8.927 -0.026 1.00 0.55 H new ATOM 0 HA PHE A 66 3.342 8.049 -1.162 1.00 0.58 H new ATOM 0 HB2 PHE A 66 4.733 9.208 0.569 1.00 0.60 H new ATOM 0 HB3 PHE A 66 4.117 10.227 -0.718 1.00 0.60 H new ATOM 0 HD1 PHE A 66 2.457 11.979 -0.278 1.00 1.75 H new ATOM 0 HD2 PHE A 66 3.982 9.503 2.898 1.00 1.28 H new ATOM 0 HE1 PHE A 66 1.591 13.593 1.398 1.00 1.94 H new ATOM 0 HE2 PHE A 66 3.155 11.139 4.572 1.00 1.23 H new ATOM 0 HZ PHE A 66 1.960 13.189 3.824 1.00 0.94 H new ATOM 1044 N ILE A 67 1.855 6.409 0.475 1.00 0.59 N ATOM 1045 CA ILE A 67 1.613 5.184 1.273 1.00 0.55 C ATOM 1046 C ILE A 67 2.900 4.421 1.597 1.00 0.47 C ATOM 1047 O ILE A 67 3.079 3.891 2.695 1.00 0.48 O ATOM 1048 CB ILE A 67 0.535 4.292 0.613 1.00 0.79 C ATOM 1049 CG1 ILE A 67 0.993 3.568 -0.670 1.00 1.70 C ATOM 1050 CG2 ILE A 67 -0.709 5.108 0.295 1.00 1.73 C ATOM 1051 CD1 ILE A 67 1.513 2.182 -0.304 1.00 1.00 C ATOM 0 H ILE A 67 1.224 6.478 -0.323 1.00 0.59 H new ATOM 0 HA ILE A 67 1.219 5.502 2.238 1.00 0.55 H new ATOM 0 HB ILE A 67 0.323 3.518 1.351 1.00 0.79 H new ATOM 0 HG12 ILE A 67 0.163 3.485 -1.371 1.00 1.70 H new ATOM 0 HG13 ILE A 67 1.774 4.143 -1.168 1.00 1.70 H new ATOM 0 HG21 ILE A 67 -1.457 4.465 -0.169 1.00 1.73 H new ATOM 0 HG22 ILE A 67 -1.113 5.529 1.216 1.00 1.73 H new ATOM 0 HG23 ILE A 67 -0.449 5.915 -0.390 1.00 1.73 H new ATOM 0 HD11 ILE A 67 1.838 1.665 -1.207 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.355 2.279 0.382 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.718 1.610 0.175 1.00 1.00 H new ATOM 1063 N LEU A 68 3.832 4.424 0.643 1.00 0.47 N ATOM 1064 CA LEU A 68 5.143 3.804 0.765 1.00 0.52 C ATOM 1065 C LEU A 68 5.964 4.314 1.956 1.00 0.49 C ATOM 1066 O LEU A 68 6.793 3.551 2.441 1.00 0.54 O ATOM 1067 CB LEU A 68 5.914 3.997 -0.542 1.00 0.65 C ATOM 1068 CG LEU A 68 5.429 3.085 -1.676 1.00 1.03 C ATOM 1069 CD1 LEU A 68 5.241 3.913 -2.943 1.00 1.02 C ATOM 1070 CD2 LEU A 68 6.454 1.969 -1.914 1.00 2.01 C ATOM 0 H LEU A 68 3.687 4.873 -0.261 1.00 0.47 H new ATOM 0 HA LEU A 68 4.977 2.744 0.959 1.00 0.52 H new ATOM 0 HB2 LEU A 68 5.824 5.036 -0.858 1.00 0.65 H new ATOM 0 HB3 LEU A 68 6.972 3.809 -0.362 1.00 0.65 H new ATOM 0 HG LEU A 68 4.476 2.631 -1.403 1.00 1.03 H new ATOM 0 HD11 LEU A 68 4.896 3.268 -3.751 1.00 1.02 H new ATOM 0 HD12 LEU A 68 4.502 4.693 -2.761 1.00 1.02 H new ATOM 0 HD13 LEU A 68 6.190 4.370 -3.223 1.00 1.02 H new ATOM 0 HD21 LEU A 68 6.107 1.322 -2.720 1.00 2.01 H new ATOM 0 HD22 LEU A 68 7.413 2.408 -2.188 1.00 2.01 H new ATOM 0 HD23 LEU A 68 6.571 1.382 -1.003 1.00 2.01 H new ATOM 1082 N LYS A 69 5.729 5.532 2.478 1.00 0.51 N ATOM 1083 CA LYS A 69 6.386 6.012 3.708 1.00 0.66 C ATOM 1084 C LYS A 69 5.915 5.284 4.976 1.00 0.71 C ATOM 1085 O LYS A 69 6.469 5.538 6.045 1.00 0.99 O ATOM 1086 CB LYS A 69 6.259 7.539 3.864 1.00 0.75 C ATOM 1087 CG LYS A 69 7.288 8.287 3.003 1.00 0.72 C ATOM 1088 CD LYS A 69 7.409 9.770 3.396 1.00 1.80 C ATOM 1089 CE LYS A 69 8.667 10.423 2.804 1.00 2.25 C ATOM 1090 NZ LYS A 69 9.910 9.938 3.457 1.00 2.54 N ATOM 0 H LYS A 69 5.085 6.206 2.064 1.00 0.51 H new ATOM 0 HA LYS A 69 7.442 5.769 3.591 1.00 0.66 H new ATOM 0 HB2 LYS A 69 5.253 7.851 3.582 1.00 0.75 H new ATOM 0 HB3 LYS A 69 6.395 7.810 4.911 1.00 0.75 H new ATOM 0 HG2 LYS A 69 8.261 7.806 3.103 1.00 0.72 H new ATOM 0 HG3 LYS A 69 7.003 8.213 1.954 1.00 0.72 H new ATOM 0 HD2 LYS A 69 6.526 10.309 3.053 1.00 1.80 H new ATOM 0 HD3 LYS A 69 7.433 9.856 4.482 1.00 1.80 H new ATOM 0 HE2 LYS A 69 8.714 10.214 1.735 1.00 2.25 H new ATOM 0 HE3 LYS A 69 8.599 11.505 2.914 1.00 2.25 H new ATOM 0 HZ1 LYS A 69 10.708 10.543 3.176 1.00 2.54 H new ATOM 0 HZ2 LYS A 69 9.796 9.973 4.490 1.00 2.54 H new ATOM 0 HZ3 LYS A 69 10.097 8.958 3.163 1.00 2.54 H new ATOM 1104 N GLY A 70 4.941 4.376 4.867 1.00 0.54 N ATOM 1105 CA GLY A 70 4.724 3.311 5.841 1.00 0.54 C ATOM 1106 C GLY A 70 5.524 2.048 5.538 1.00 0.51 C ATOM 1107 O GLY A 70 6.068 1.440 6.456 1.00 0.72 O ATOM 0 H GLY A 70 4.277 4.362 4.093 1.00 0.54 H new ATOM 0 HA2 GLY A 70 4.993 3.674 6.833 1.00 0.54 H new ATOM 0 HA3 GLY A 70 3.663 3.063 5.869 1.00 0.54 H new ATOM 1111 N PHE A 71 5.617 1.656 4.265 1.00 0.38 N ATOM 1112 CA PHE A 71 6.400 0.493 3.861 1.00 0.37 C ATOM 1113 C PHE A 71 7.907 0.638 4.111 1.00 0.39 C ATOM 1114 O PHE A 71 8.518 -0.360 4.484 1.00 0.49 O ATOM 1115 CB PHE A 71 6.121 0.114 2.398 1.00 0.38 C ATOM 1116 CG PHE A 71 4.818 -0.636 2.193 1.00 0.50 C ATOM 1117 CD1 PHE A 71 4.650 -1.898 2.794 1.00 2.34 C ATOM 1118 CD2 PHE A 71 3.807 -0.130 1.353 1.00 1.87 C ATOM 1119 CE1 PHE A 71 3.469 -2.627 2.595 1.00 2.55 C ATOM 1120 CE2 PHE A 71 2.639 -0.880 1.126 1.00 1.78 C ATOM 1121 CZ PHE A 71 2.457 -2.119 1.764 1.00 0.96 C ATOM 0 H PHE A 71 5.154 2.134 3.492 1.00 0.38 H new ATOM 0 HA PHE A 71 6.067 -0.320 4.506 1.00 0.37 H new ATOM 0 HB2 PHE A 71 6.105 1.022 1.795 1.00 0.38 H new ATOM 0 HB3 PHE A 71 6.943 -0.499 2.029 1.00 0.38 H new ATOM 0 HD1 PHE A 71 5.436 -2.307 3.412 1.00 2.34 H new ATOM 0 HD2 PHE A 71 3.929 0.835 0.883 1.00 1.87 H new ATOM 0 HE1 PHE A 71 3.337 -3.582 3.082 1.00 2.55 H new ATOM 0 HE2 PHE A 71 1.879 -0.502 0.459 1.00 1.78 H new ATOM 0 HZ PHE A 71 1.544 -2.677 1.616 1.00 0.96 H new ATOM 1131 N SER A 72 8.522 1.813 3.882 1.00 0.40 N ATOM 1132 CA SER A 72 9.972 2.009 4.012 1.00 0.35 C ATOM 1133 C SER A 72 10.382 3.468 3.738 1.00 0.50 C ATOM 1134 O SER A 72 9.555 4.265 3.290 1.00 0.69 O ATOM 1135 CB SER A 72 10.663 1.091 2.993 1.00 0.37 C ATOM 1136 OG SER A 72 11.607 0.252 3.625 1.00 0.69 O ATOM 0 H SER A 72 8.021 2.656 3.600 1.00 0.40 H new ATOM 0 HA SER A 72 10.270 1.772 5.033 1.00 0.35 H new ATOM 0 HB2 SER A 72 9.917 0.483 2.481 1.00 0.37 H new ATOM 0 HB3 SER A 72 11.159 1.694 2.233 1.00 0.37 H new ATOM 0 HG SER A 72 12.143 -0.208 2.945 1.00 0.69 H new ATOM 1142 N PRO A 73 11.659 3.850 3.937 1.00 0.47 N ATOM 1143 CA PRO A 73 12.218 5.029 3.287 1.00 0.51 C ATOM 1144 C PRO A 73 12.385 4.822 1.765 1.00 0.49 C ATOM 1145 O PRO A 73 12.166 3.745 1.219 1.00 0.47 O ATOM 1146 CB PRO A 73 13.546 5.290 4.005 1.00 0.53 C ATOM 1147 CG PRO A 73 13.993 3.893 4.425 1.00 0.49 C ATOM 1148 CD PRO A 73 12.676 3.188 4.746 1.00 0.48 C ATOM 0 HA PRO A 73 11.557 5.892 3.366 1.00 0.51 H new ATOM 0 HB2 PRO A 73 14.273 5.765 3.347 1.00 0.53 H new ATOM 0 HB3 PRO A 73 13.417 5.947 4.865 1.00 0.53 H new ATOM 0 HG2 PRO A 73 14.537 3.387 3.627 1.00 0.49 H new ATOM 0 HG3 PRO A 73 14.654 3.925 5.291 1.00 0.49 H new ATOM 0 HD2 PRO A 73 12.734 2.126 4.508 1.00 0.48 H new ATOM 0 HD3 PRO A 73 12.441 3.264 5.808 1.00 0.48 H new ATOM 1156 N ASP A 74 12.738 5.914 1.086 1.00 0.55 N ATOM 1157 CA ASP A 74 12.835 6.087 -0.381 1.00 0.59 C ATOM 1158 C ASP A 74 11.529 5.784 -1.151 1.00 0.58 C ATOM 1159 O ASP A 74 11.502 5.557 -2.355 1.00 0.79 O ATOM 1160 CB ASP A 74 14.084 5.393 -0.961 1.00 0.77 C ATOM 1161 CG ASP A 74 14.610 6.091 -2.226 1.00 1.46 C ATOM 1162 OD1 ASP A 74 14.034 7.122 -2.648 1.00 2.69 O ATOM 1163 OD2 ASP A 74 15.645 5.658 -2.770 1.00 2.17 O ATOM 0 H ASP A 74 12.985 6.773 1.577 1.00 0.55 H new ATOM 0 HA ASP A 74 12.975 7.155 -0.545 1.00 0.59 H new ATOM 0 HB2 ASP A 74 14.870 5.376 -0.206 1.00 0.77 H new ATOM 0 HB3 ASP A 74 13.844 4.356 -1.195 1.00 0.77 H new ATOM 1168 N ALA A 75 10.426 5.841 -0.411 1.00 0.58 N ATOM 1169 CA ALA A 75 9.032 5.723 -0.802 1.00 0.65 C ATOM 1170 C ALA A 75 8.573 6.666 -1.925 1.00 0.81 C ATOM 1171 O ALA A 75 7.933 6.225 -2.876 1.00 1.74 O ATOM 1172 CB ALA A 75 8.285 6.044 0.488 1.00 0.62 C ATOM 0 H ALA A 75 10.502 5.989 0.595 1.00 0.58 H new ATOM 0 HA ALA A 75 8.845 4.734 -1.222 1.00 0.65 H new ATOM 0 HB1 ALA A 75 7.211 5.985 0.311 1.00 0.62 H new ATOM 0 HB2 ALA A 75 8.566 5.327 1.259 1.00 0.62 H new ATOM 0 HB3 ALA A 75 8.544 7.050 0.817 1.00 0.62 H new ATOM 1178 N ARG A 76 8.898 7.958 -1.776 1.00 0.58 N ATOM 1179 CA ARG A 76 8.537 9.100 -2.637 1.00 0.53 C ATOM 1180 C ARG A 76 7.030 9.395 -2.710 1.00 0.53 C ATOM 1181 O ARG A 76 6.184 8.680 -2.173 1.00 0.70 O ATOM 1182 CB ARG A 76 9.177 8.976 -4.044 1.00 0.66 C ATOM 1183 CG ARG A 76 10.596 8.400 -3.965 1.00 0.67 C ATOM 1184 CD ARG A 76 11.523 8.739 -5.132 1.00 0.84 C ATOM 1185 NE ARG A 76 12.896 8.325 -4.788 1.00 1.69 N ATOM 1186 CZ ARG A 76 14.050 8.695 -5.317 1.00 2.15 C ATOM 1187 NH1 ARG A 76 14.124 9.505 -6.347 1.00 2.32 N ATOM 1188 NH2 ARG A 76 15.154 8.246 -4.776 1.00 3.05 N ATOM 0 H ARG A 76 9.467 8.259 -0.985 1.00 0.58 H new ATOM 0 HA ARG A 76 8.964 9.975 -2.147 1.00 0.53 H new ATOM 0 HB2 ARG A 76 8.557 8.336 -4.672 1.00 0.66 H new ATOM 0 HB3 ARG A 76 9.207 9.956 -4.519 1.00 0.66 H new ATOM 0 HG2 ARG A 76 11.060 8.754 -3.044 1.00 0.67 H new ATOM 0 HG3 ARG A 76 10.523 7.315 -3.889 1.00 0.67 H new ATOM 0 HD2 ARG A 76 11.191 8.230 -6.037 1.00 0.84 H new ATOM 0 HD3 ARG A 76 11.493 9.809 -5.339 1.00 0.84 H new ATOM 0 HE ARG A 76 12.966 7.651 -4.026 1.00 1.69 H new ATOM 0 HH11 ARG A 76 13.271 9.873 -6.769 1.00 2.32 H new ATOM 0 HH12 ARG A 76 15.034 9.767 -6.726 1.00 2.32 H new ATOM 0 HH21 ARG A 76 15.110 7.627 -3.967 1.00 3.05 H new ATOM 0 HH22 ARG A 76 16.058 8.515 -5.164 1.00 3.05 H new ATOM 1202 N ASP A 77 6.728 10.524 -3.342 1.00 0.49 N ATOM 1203 CA ASP A 77 5.417 10.992 -3.762 1.00 0.45 C ATOM 1204 C ASP A 77 4.969 10.276 -5.047 1.00 0.48 C ATOM 1205 O ASP A 77 5.580 10.423 -6.104 1.00 0.56 O ATOM 1206 CB ASP A 77 5.457 12.527 -3.928 1.00 0.49 C ATOM 1207 CG ASP A 77 6.636 13.083 -4.752 1.00 1.99 C ATOM 1208 OD1 ASP A 77 7.796 12.711 -4.439 1.00 3.36 O ATOM 1209 OD2 ASP A 77 6.376 13.937 -5.628 1.00 2.96 O ATOM 0 H ASP A 77 7.458 11.190 -3.594 1.00 0.49 H new ATOM 0 HA ASP A 77 4.676 10.752 -3.000 1.00 0.45 H new ATOM 0 HB2 ASP A 77 4.527 12.847 -4.398 1.00 0.49 H new ATOM 0 HB3 ASP A 77 5.485 12.980 -2.937 1.00 0.49 H new ATOM 1214 N LEU A 78 3.898 9.485 -4.940 1.00 0.46 N ATOM 1215 CA LEU A 78 3.163 8.924 -6.077 1.00 0.49 C ATOM 1216 C LEU A 78 2.590 10.027 -6.976 1.00 0.42 C ATOM 1217 O LEU A 78 2.251 11.120 -6.512 1.00 0.45 O ATOM 1218 CB LEU A 78 1.995 8.040 -5.599 1.00 0.60 C ATOM 1219 CG LEU A 78 2.381 6.865 -4.680 1.00 0.68 C ATOM 1220 CD1 LEU A 78 1.179 5.931 -4.524 1.00 1.09 C ATOM 1221 CD2 LEU A 78 3.572 6.059 -5.207 1.00 1.25 C ATOM 0 H LEU A 78 3.508 9.210 -4.038 1.00 0.46 H new ATOM 0 HA LEU A 78 3.877 8.326 -6.643 1.00 0.49 H new ATOM 0 HB2 LEU A 78 1.279 8.670 -5.072 1.00 0.60 H new ATOM 0 HB3 LEU A 78 1.484 7.640 -6.475 1.00 0.60 H new ATOM 0 HG LEU A 78 2.676 7.292 -3.722 1.00 0.68 H new ATOM 0 HD11 LEU A 78 1.447 5.098 -3.874 1.00 1.09 H new ATOM 0 HD12 LEU A 78 0.346 6.480 -4.085 1.00 1.09 H new ATOM 0 HD13 LEU A 78 0.886 5.549 -5.502 1.00 1.09 H new ATOM 0 HD21 LEU A 78 3.795 5.246 -4.516 1.00 1.25 H new ATOM 0 HD22 LEU A 78 3.328 5.647 -6.186 1.00 1.25 H new ATOM 0 HD23 LEU A 78 4.442 6.710 -5.294 1.00 1.25 H new ATOM 1233 N SER A 79 2.399 9.712 -8.259 1.00 0.42 N ATOM 1234 CA SER A 79 1.794 10.657 -9.198 1.00 0.41 C ATOM 1235 C SER A 79 0.324 10.947 -8.874 1.00 0.38 C ATOM 1236 O SER A 79 -0.416 10.096 -8.378 1.00 0.40 O ATOM 1237 CB SER A 79 1.813 10.110 -10.616 1.00 0.47 C ATOM 1238 OG SER A 79 3.077 9.787 -11.147 1.00 2.09 O ATOM 0 H SER A 79 2.654 8.814 -8.669 1.00 0.42 H new ATOM 0 HA SER A 79 2.388 11.567 -9.109 1.00 0.41 H new ATOM 0 HB2 SER A 79 1.192 9.215 -10.645 1.00 0.47 H new ATOM 0 HB3 SER A 79 1.345 10.844 -11.271 1.00 0.47 H new ATOM 0 HG SER A 79 3.057 9.884 -12.122 1.00 2.09 H new ATOM 1244 N ALA A 80 -0.150 12.121 -9.300 1.00 0.40 N ATOM 1245 CA ALA A 80 -1.541 12.544 -9.164 1.00 0.49 C ATOM 1246 C ALA A 80 -2.552 11.553 -9.769 1.00 0.56 C ATOM 1247 O ALA A 80 -3.578 11.274 -9.144 1.00 0.75 O ATOM 1248 CB ALA A 80 -1.677 13.919 -9.821 1.00 0.54 C ATOM 0 H ALA A 80 0.438 12.817 -9.759 1.00 0.40 H new ATOM 0 HA ALA A 80 -1.781 12.584 -8.102 1.00 0.49 H new ATOM 0 HB1 ALA A 80 -2.708 14.263 -9.735 1.00 0.54 H new ATOM 0 HB2 ALA A 80 -1.016 14.628 -9.322 1.00 0.54 H new ATOM 0 HB3 ALA A 80 -1.405 13.848 -10.874 1.00 0.54 H new ATOM 1254 N LYS A 81 -2.287 11.021 -10.977 1.00 0.57 N ATOM 1255 CA LYS A 81 -3.193 10.062 -11.632 1.00 0.79 C ATOM 1256 C LYS A 81 -3.176 8.717 -10.912 1.00 0.72 C ATOM 1257 O LYS A 81 -4.219 8.070 -10.816 1.00 0.79 O ATOM 1258 CB LYS A 81 -2.869 9.838 -13.124 1.00 1.01 C ATOM 1259 CG LYS A 81 -2.366 11.065 -13.902 1.00 0.91 C ATOM 1260 CD LYS A 81 -3.412 12.183 -13.900 1.00 2.26 C ATOM 1261 CE LYS A 81 -2.966 13.335 -14.806 1.00 2.49 C ATOM 1262 NZ LYS A 81 -4.020 14.370 -14.930 1.00 3.59 N ATOM 0 H LYS A 81 -1.451 11.240 -11.519 1.00 0.57 H new ATOM 0 HA LYS A 81 -4.186 10.508 -11.572 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -2.115 9.054 -13.197 1.00 1.01 H new ATOM 0 HB3 LYS A 81 -3.766 9.464 -13.617 1.00 1.01 H new ATOM 0 HG2 LYS A 81 -1.440 11.428 -13.456 1.00 0.91 H new ATOM 0 HG3 LYS A 81 -2.135 10.780 -14.928 1.00 0.91 H new ATOM 0 HD2 LYS A 81 -4.371 11.793 -14.242 1.00 2.26 H new ATOM 0 HD3 LYS A 81 -3.561 12.548 -12.884 1.00 2.26 H new ATOM 0 HE2 LYS A 81 -2.059 13.785 -14.403 1.00 2.49 H new ATOM 0 HE3 LYS A 81 -2.718 12.947 -15.794 1.00 2.49 H new ATOM 0 HZ1 LYS A 81 -3.685 15.135 -15.550 1.00 3.59 H new ATOM 0 HZ2 LYS A 81 -4.878 13.945 -15.337 1.00 3.59 H new ATOM 0 HZ3 LYS A 81 -4.238 14.757 -13.990 1.00 3.59 H new ATOM 1276 N GLU A 82 -2.015 8.345 -10.362 1.00 0.62 N ATOM 1277 CA GLU A 82 -1.840 7.168 -9.534 1.00 0.56 C ATOM 1278 C GLU A 82 -2.727 7.282 -8.304 1.00 0.51 C ATOM 1279 O GLU A 82 -3.577 6.424 -8.113 1.00 0.57 O ATOM 1280 CB GLU A 82 -0.358 7.020 -9.165 1.00 0.56 C ATOM 1281 CG GLU A 82 0.051 5.555 -9.089 1.00 0.77 C ATOM 1282 CD GLU A 82 1.575 5.395 -9.111 1.00 1.76 C ATOM 1283 OE1 GLU A 82 2.264 6.254 -8.519 1.00 2.65 O ATOM 1284 OE2 GLU A 82 2.036 4.439 -9.779 1.00 2.97 O ATOM 0 H GLU A 82 -1.153 8.875 -10.490 1.00 0.62 H new ATOM 0 HA GLU A 82 -2.137 6.271 -10.077 1.00 0.56 H new ATOM 0 HB2 GLU A 82 0.256 7.533 -9.905 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -0.170 7.502 -8.206 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -0.349 5.111 -8.177 1.00 0.77 H new ATOM 0 HG3 GLU A 82 -0.385 5.011 -9.927 1.00 0.77 H new ATOM 1291 N THR A 83 -2.614 8.382 -7.547 1.00 0.48 N ATOM 1292 CA THR A 83 -3.499 8.706 -6.422 1.00 0.51 C ATOM 1293 C THR A 83 -4.975 8.647 -6.820 1.00 0.57 C ATOM 1294 O THR A 83 -5.757 7.974 -6.146 1.00 0.58 O ATOM 1295 CB THR A 83 -3.116 10.066 -5.817 1.00 0.57 C ATOM 1296 OG1 THR A 83 -1.827 9.952 -5.272 1.00 1.61 O ATOM 1297 CG2 THR A 83 -4.030 10.548 -4.688 1.00 1.63 C ATOM 0 H THR A 83 -1.891 9.084 -7.703 1.00 0.48 H new ATOM 0 HA THR A 83 -3.362 7.946 -5.653 1.00 0.51 H new ATOM 0 HB THR A 83 -3.195 10.788 -6.629 1.00 0.57 H new ATOM 0 HG1 THR A 83 -1.560 10.810 -4.881 1.00 1.61 H new ATOM 0 HG21 THR A 83 -3.681 11.515 -4.325 1.00 1.63 H new ATOM 0 HG22 THR A 83 -5.049 10.647 -5.062 1.00 1.63 H new ATOM 0 HG23 THR A 83 -4.012 9.826 -3.872 1.00 1.63 H new ATOM 1305 N LYS A 84 -5.360 9.305 -7.926 1.00 0.65 N ATOM 1306 CA LYS A 84 -6.733 9.294 -8.456 1.00 0.78 C ATOM 1307 C LYS A 84 -7.274 7.873 -8.658 1.00 0.83 C ATOM 1308 O LYS A 84 -8.307 7.530 -8.084 1.00 0.94 O ATOM 1309 CB LYS A 84 -6.819 10.123 -9.755 1.00 0.83 C ATOM 1310 CG LYS A 84 -7.794 11.297 -9.608 1.00 1.61 C ATOM 1311 CD LYS A 84 -7.863 12.114 -10.906 1.00 1.67 C ATOM 1312 CE LYS A 84 -8.921 13.223 -10.834 1.00 2.53 C ATOM 1313 NZ LYS A 84 -8.600 14.245 -9.807 1.00 3.57 N ATOM 0 H LYS A 84 -4.717 9.867 -8.484 1.00 0.65 H new ATOM 0 HA LYS A 84 -7.373 9.760 -7.707 1.00 0.78 H new ATOM 0 HB2 LYS A 84 -5.830 10.500 -10.013 1.00 0.83 H new ATOM 0 HB3 LYS A 84 -7.140 9.482 -10.576 1.00 0.83 H new ATOM 0 HG2 LYS A 84 -8.786 10.922 -9.356 1.00 1.61 H new ATOM 0 HG3 LYS A 84 -7.477 11.938 -8.786 1.00 1.61 H new ATOM 0 HD2 LYS A 84 -6.888 12.557 -11.108 1.00 1.67 H new ATOM 0 HD3 LYS A 84 -8.090 11.450 -11.740 1.00 1.67 H new ATOM 0 HE2 LYS A 84 -9.005 13.705 -11.808 1.00 2.53 H new ATOM 0 HE3 LYS A 84 -9.892 12.781 -10.612 1.00 2.53 H new ATOM 0 HZ1 LYS A 84 -9.326 14.990 -9.820 1.00 3.57 H new ATOM 0 HZ2 LYS A 84 -8.579 13.799 -8.868 1.00 3.57 H new ATOM 0 HZ3 LYS A 84 -7.670 14.664 -10.013 1.00 3.57 H new ATOM 1327 N MET A 85 -6.592 7.054 -9.471 1.00 0.81 N ATOM 1328 CA MET A 85 -7.023 5.677 -9.720 1.00 0.92 C ATOM 1329 C MET A 85 -6.877 4.785 -8.488 1.00 0.85 C ATOM 1330 O MET A 85 -7.790 4.015 -8.225 1.00 0.97 O ATOM 1331 CB MET A 85 -6.301 5.060 -10.932 1.00 1.00 C ATOM 1332 CG MET A 85 -7.130 5.269 -12.205 1.00 1.90 C ATOM 1333 SD MET A 85 -6.448 4.489 -13.694 1.00 2.19 S ATOM 1334 CE MET A 85 -7.541 3.047 -13.847 1.00 2.66 C ATOM 0 H MET A 85 -5.741 7.323 -9.965 1.00 0.81 H new ATOM 0 HA MET A 85 -8.086 5.732 -9.954 1.00 0.92 H new ATOM 0 HB2 MET A 85 -5.318 5.517 -11.050 1.00 1.00 H new ATOM 0 HB3 MET A 85 -6.140 3.995 -10.765 1.00 1.00 H new ATOM 0 HG2 MET A 85 -8.134 4.880 -12.036 1.00 1.90 H new ATOM 0 HG3 MET A 85 -7.229 6.339 -12.386 1.00 1.90 H new ATOM 0 HE1 MET A 85 -7.251 2.462 -14.720 1.00 2.66 H new ATOM 0 HE2 MET A 85 -7.457 2.430 -12.952 1.00 2.66 H new ATOM 0 HE3 MET A 85 -8.572 3.382 -13.961 1.00 2.66 H new ATOM 1344 N LEU A 86 -5.787 4.872 -7.722 1.00 0.67 N ATOM 1345 CA LEU A 86 -5.560 4.049 -6.533 1.00 0.60 C ATOM 1346 C LEU A 86 -6.585 4.320 -5.425 1.00 0.60 C ATOM 1347 O LEU A 86 -6.990 3.364 -4.769 1.00 0.68 O ATOM 1348 CB LEU A 86 -4.113 4.241 -6.053 1.00 0.52 C ATOM 1349 CG LEU A 86 -3.747 3.519 -4.742 1.00 0.75 C ATOM 1350 CD1 LEU A 86 -3.912 2.002 -4.854 1.00 2.06 C ATOM 1351 CD2 LEU A 86 -2.305 3.882 -4.383 1.00 1.55 C ATOM 0 H LEU A 86 -5.027 5.525 -7.913 1.00 0.67 H new ATOM 0 HA LEU A 86 -5.703 3.003 -6.803 1.00 0.60 H new ATOM 0 HB2 LEU A 86 -3.440 3.896 -6.838 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.930 5.308 -5.923 1.00 0.52 H new ATOM 0 HG LEU A 86 -4.428 3.845 -3.956 1.00 0.75 H new ATOM 0 HD11 LEU A 86 -3.643 1.536 -3.906 1.00 2.06 H new ATOM 0 HD12 LEU A 86 -4.949 1.765 -5.093 1.00 2.06 H new ATOM 0 HD13 LEU A 86 -3.262 1.623 -5.643 1.00 2.06 H new ATOM 0 HD21 LEU A 86 -2.024 3.381 -3.457 1.00 1.55 H new ATOM 0 HD22 LEU A 86 -1.639 3.563 -5.185 1.00 1.55 H new ATOM 0 HD23 LEU A 86 -2.223 4.961 -4.252 1.00 1.55 H new ATOM 1363 N MET A 87 -7.059 5.560 -5.243 1.00 0.60 N ATOM 1364 CA MET A 87 -8.191 5.832 -4.351 1.00 0.70 C ATOM 1365 C MET A 87 -9.419 5.002 -4.768 1.00 0.78 C ATOM 1366 O MET A 87 -9.913 4.193 -3.987 1.00 0.80 O ATOM 1367 CB MET A 87 -8.478 7.345 -4.285 1.00 0.81 C ATOM 1368 CG MET A 87 -9.667 7.623 -3.356 1.00 1.40 C ATOM 1369 SD MET A 87 -9.859 9.304 -2.708 1.00 2.18 S ATOM 1370 CE MET A 87 -10.218 10.233 -4.218 1.00 2.28 C ATOM 0 H MET A 87 -6.677 6.387 -5.701 1.00 0.60 H new ATOM 0 HA MET A 87 -7.934 5.521 -3.338 1.00 0.70 H new ATOM 0 HB2 MET A 87 -7.595 7.874 -3.925 1.00 0.81 H new ATOM 0 HB3 MET A 87 -8.692 7.725 -5.284 1.00 0.81 H new ATOM 0 HG2 MET A 87 -10.579 7.365 -3.894 1.00 1.40 H new ATOM 0 HG3 MET A 87 -9.595 6.943 -2.507 1.00 1.40 H new ATOM 0 HE1 MET A 87 -10.360 11.285 -3.973 1.00 2.28 H new ATOM 0 HE2 MET A 87 -9.385 10.132 -4.914 1.00 2.28 H new ATOM 0 HE3 MET A 87 -11.125 9.842 -4.678 1.00 2.28 H new ATOM 1380 N ALA A 88 -9.889 5.170 -6.009 1.00 0.90 N ATOM 1381 CA ALA A 88 -11.060 4.462 -6.526 1.00 1.03 C ATOM 1382 C ALA A 88 -10.870 2.934 -6.608 1.00 0.94 C ATOM 1383 O ALA A 88 -11.737 2.177 -6.183 1.00 1.01 O ATOM 1384 CB ALA A 88 -11.401 5.053 -7.899 1.00 1.23 C ATOM 0 H ALA A 88 -9.464 5.805 -6.685 1.00 0.90 H new ATOM 0 HA ALA A 88 -11.884 4.605 -5.827 1.00 1.03 H new ATOM 0 HB1 ALA A 88 -12.272 4.542 -8.309 1.00 1.23 H new ATOM 0 HB2 ALA A 88 -11.619 6.116 -7.794 1.00 1.23 H new ATOM 0 HB3 ALA A 88 -10.554 4.922 -8.572 1.00 1.23 H new ATOM 1390 N ALA A 89 -9.758 2.471 -7.185 1.00 0.88 N ATOM 1391 CA ALA A 89 -9.495 1.067 -7.481 1.00 0.88 C ATOM 1392 C ALA A 89 -8.950 0.284 -6.281 1.00 0.61 C ATOM 1393 O ALA A 89 -9.263 -0.899 -6.166 1.00 0.70 O ATOM 1394 CB ALA A 89 -8.514 0.978 -8.656 1.00 1.25 C ATOM 0 H ALA A 89 -8.994 3.085 -7.467 1.00 0.88 H new ATOM 0 HA ALA A 89 -10.449 0.606 -7.738 1.00 0.88 H new ATOM 0 HB1 ALA A 89 -8.312 -0.069 -8.883 1.00 1.25 H new ATOM 0 HB2 ALA A 89 -8.949 1.462 -9.531 1.00 1.25 H new ATOM 0 HB3 ALA A 89 -7.582 1.478 -8.391 1.00 1.25 H new ATOM 1400 N GLY A 90 -8.152 0.905 -5.404 1.00 0.53 N ATOM 1401 CA GLY A 90 -7.602 0.265 -4.205 1.00 0.67 C ATOM 1402 C GLY A 90 -8.638 0.077 -3.100 1.00 0.65 C ATOM 1403 O GLY A 90 -8.433 -0.748 -2.213 1.00 0.97 O ATOM 0 H GLY A 90 -7.867 1.879 -5.509 1.00 0.53 H new ATOM 0 HA2 GLY A 90 -7.188 -0.706 -4.476 1.00 0.67 H new ATOM 0 HA3 GLY A 90 -6.778 0.868 -3.824 1.00 0.67 H new ATOM 1407 N ASP A 91 -9.761 0.799 -3.171 1.00 0.56 N ATOM 1408 CA ASP A 91 -10.931 0.589 -2.332 1.00 0.73 C ATOM 1409 C ASP A 91 -12.079 -0.043 -3.134 1.00 0.49 C ATOM 1410 O ASP A 91 -12.981 0.647 -3.607 1.00 0.57 O ATOM 1411 CB ASP A 91 -11.363 1.899 -1.678 1.00 1.08 C ATOM 1412 CG ASP A 91 -12.576 1.641 -0.792 1.00 1.54 C ATOM 1413 OD1 ASP A 91 -12.790 0.494 -0.349 1.00 3.58 O ATOM 1414 OD2 ASP A 91 -13.338 2.571 -0.492 1.00 1.11 O ATOM 0 H ASP A 91 -9.878 1.565 -3.834 1.00 0.56 H new ATOM 0 HA ASP A 91 -10.664 -0.110 -1.539 1.00 0.73 H new ATOM 0 HB2 ASP A 91 -10.546 2.310 -1.085 1.00 1.08 H new ATOM 0 HB3 ASP A 91 -11.606 2.638 -2.442 1.00 1.08 H new ATOM 1419 N LYS A 92 -12.063 -1.374 -3.262 1.00 0.52 N ATOM 1420 CA LYS A 92 -13.035 -2.138 -4.057 1.00 0.58 C ATOM 1421 C LYS A 92 -14.499 -2.034 -3.593 1.00 0.63 C ATOM 1422 O LYS A 92 -15.377 -2.351 -4.391 1.00 0.93 O ATOM 1423 CB LYS A 92 -12.565 -3.598 -4.157 1.00 0.83 C ATOM 1424 CG LYS A 92 -11.468 -3.752 -5.230 1.00 1.93 C ATOM 1425 CD LYS A 92 -12.044 -3.861 -6.658 1.00 3.11 C ATOM 1426 CE LYS A 92 -11.489 -2.836 -7.655 1.00 4.26 C ATOM 1427 NZ LYS A 92 -10.018 -2.921 -7.788 1.00 5.11 N ATOM 0 H LYS A 92 -11.363 -1.962 -2.809 1.00 0.52 H new ATOM 0 HA LYS A 92 -13.055 -1.677 -5.045 1.00 0.58 H new ATOM 0 HB2 LYS A 92 -12.183 -3.928 -3.191 1.00 0.83 H new ATOM 0 HB3 LYS A 92 -13.411 -4.240 -4.402 1.00 0.83 H new ATOM 0 HG2 LYS A 92 -10.793 -2.898 -5.179 1.00 1.93 H new ATOM 0 HG3 LYS A 92 -10.875 -4.640 -5.013 1.00 1.93 H new ATOM 0 HD2 LYS A 92 -11.845 -4.863 -7.039 1.00 3.11 H new ATOM 0 HD3 LYS A 92 -13.127 -3.748 -6.607 1.00 3.11 H new ATOM 0 HE2 LYS A 92 -11.949 -2.995 -8.630 1.00 4.26 H new ATOM 0 HE3 LYS A 92 -11.765 -1.832 -7.332 1.00 4.26 H new ATOM 0 HZ1 LYS A 92 -9.766 -3.037 -8.790 1.00 5.11 H new ATOM 0 HZ2 LYS A 92 -9.585 -2.049 -7.421 1.00 5.11 H new ATOM 0 HZ3 LYS A 92 -9.667 -3.736 -7.246 1.00 5.11 H new ATOM 1441 N ASP A 93 -14.782 -1.525 -2.387 1.00 0.57 N ATOM 1442 CA ASP A 93 -16.148 -1.137 -1.991 1.00 0.96 C ATOM 1443 C ASP A 93 -16.656 0.113 -2.734 1.00 1.19 C ATOM 1444 O ASP A 93 -17.865 0.290 -2.873 1.00 1.62 O ATOM 1445 CB ASP A 93 -16.207 -0.824 -0.487 1.00 1.37 C ATOM 1446 CG ASP A 93 -16.252 -2.031 0.453 1.00 0.92 C ATOM 1447 OD1 ASP A 93 -16.462 -3.166 -0.025 1.00 1.38 O ATOM 1448 OD2 ASP A 93 -16.082 -1.764 1.665 1.00 1.15 O ATOM 0 H ASP A 93 -14.081 -1.370 -1.663 1.00 0.57 H new ATOM 0 HA ASP A 93 -16.780 -1.987 -2.248 1.00 0.96 H new ATOM 0 HB2 ASP A 93 -15.337 -0.220 -0.228 1.00 1.37 H new ATOM 0 HB3 ASP A 93 -17.088 -0.210 -0.299 1.00 1.37 H new ATOM 1453 N GLY A 94 -15.754 0.994 -3.192 1.00 1.11 N ATOM 1454 CA GLY A 94 -16.100 2.264 -3.832 1.00 1.55 C ATOM 1455 C GLY A 94 -16.208 3.467 -2.884 1.00 1.74 C ATOM 1456 O GLY A 94 -16.631 4.532 -3.329 1.00 2.34 O ATOM 0 H GLY A 94 -14.748 0.838 -3.125 1.00 1.11 H new ATOM 0 HA2 GLY A 94 -15.350 2.486 -4.591 1.00 1.55 H new ATOM 0 HA3 GLY A 94 -17.051 2.144 -4.350 1.00 1.55 H new ATOM 1460 N ASP A 95 -15.824 3.346 -1.603 1.00 1.33 N ATOM 1461 CA ASP A 95 -15.796 4.480 -0.659 1.00 1.47 C ATOM 1462 C ASP A 95 -14.614 5.443 -0.924 1.00 1.52 C ATOM 1463 O ASP A 95 -14.588 6.557 -0.401 1.00 1.79 O ATOM 1464 CB ASP A 95 -15.716 4.030 0.823 1.00 1.31 C ATOM 1465 CG ASP A 95 -16.181 2.611 1.159 1.00 1.56 C ATOM 1466 OD1 ASP A 95 -17.389 2.348 1.020 1.00 2.57 O ATOM 1467 OD2 ASP A 95 -15.321 1.812 1.621 1.00 1.34 O ATOM 0 H ASP A 95 -15.524 2.462 -1.191 1.00 1.33 H new ATOM 0 HA ASP A 95 -16.740 4.997 -0.830 1.00 1.47 H new ATOM 0 HB2 ASP A 95 -14.681 4.130 1.149 1.00 1.31 H new ATOM 0 HB3 ASP A 95 -16.307 4.727 1.418 1.00 1.31 H new ATOM 1472 N GLY A 96 -13.601 4.963 -1.656 1.00 1.41 N ATOM 1473 CA GLY A 96 -12.258 5.509 -1.857 1.00 1.61 C ATOM 1474 C GLY A 96 -11.278 5.247 -0.703 1.00 1.29 C ATOM 1475 O GLY A 96 -10.076 5.439 -0.862 1.00 1.91 O ATOM 0 H GLY A 96 -13.717 4.092 -2.175 1.00 1.41 H new ATOM 0 HA2 GLY A 96 -11.842 5.086 -2.772 1.00 1.61 H new ATOM 0 HA3 GLY A 96 -12.338 6.585 -2.011 1.00 1.61 H new ATOM 1479 N LYS A 97 -11.753 4.787 0.459 1.00 0.50 N ATOM 1480 CA LYS A 97 -10.925 4.498 1.631 1.00 0.44 C ATOM 1481 C LYS A 97 -10.447 3.048 1.631 1.00 0.49 C ATOM 1482 O LYS A 97 -11.237 2.120 1.844 1.00 0.65 O ATOM 1483 CB LYS A 97 -11.710 4.814 2.898 1.00 0.73 C ATOM 1484 CG LYS A 97 -11.752 6.336 3.121 1.00 0.75 C ATOM 1485 CD LYS A 97 -13.100 6.781 3.678 1.00 1.25 C ATOM 1486 CE LYS A 97 -14.149 6.765 2.561 1.00 2.94 C ATOM 1487 NZ LYS A 97 -15.526 6.654 3.088 1.00 3.62 N ATOM 0 H LYS A 97 -12.744 4.602 0.613 1.00 0.50 H new ATOM 0 HA LYS A 97 -10.037 5.128 1.595 1.00 0.44 H new ATOM 0 HB2 LYS A 97 -12.724 4.421 2.816 1.00 0.73 H new ATOM 0 HB3 LYS A 97 -11.247 4.325 3.755 1.00 0.73 H new ATOM 0 HG2 LYS A 97 -10.959 6.626 3.810 1.00 0.75 H new ATOM 0 HG3 LYS A 97 -11.559 6.849 2.179 1.00 0.75 H new ATOM 0 HD2 LYS A 97 -13.407 6.119 4.488 1.00 1.25 H new ATOM 0 HD3 LYS A 97 -13.018 7.783 4.099 1.00 1.25 H new ATOM 0 HE2 LYS A 97 -14.061 7.676 1.969 1.00 2.94 H new ATOM 0 HE3 LYS A 97 -13.950 5.929 1.890 1.00 2.94 H new ATOM 0 HZ1 LYS A 97 -16.204 6.698 2.300 1.00 3.62 H new ATOM 0 HZ2 LYS A 97 -15.634 5.748 3.588 1.00 3.62 H new ATOM 0 HZ3 LYS A 97 -15.710 7.437 3.747 1.00 3.62 H new ATOM 1501 N ILE A 98 -9.138 2.882 1.418 1.00 0.34 N ATOM 1502 CA ILE A 98 -8.437 1.600 1.553 1.00 0.34 C ATOM 1503 C ILE A 98 -8.608 1.130 2.999 1.00 0.35 C ATOM 1504 O ILE A 98 -8.264 1.864 3.926 1.00 0.34 O ATOM 1505 CB ILE A 98 -6.951 1.723 1.109 1.00 0.32 C ATOM 1506 CG1 ILE A 98 -6.958 2.004 -0.416 1.00 0.36 C ATOM 1507 CG2 ILE A 98 -6.080 0.497 1.483 1.00 0.37 C ATOM 1508 CD1 ILE A 98 -5.614 1.932 -1.150 1.00 0.37 C ATOM 0 H ILE A 98 -8.524 3.648 1.142 1.00 0.34 H new ATOM 0 HA ILE A 98 -8.864 0.847 0.891 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.478 2.542 1.652 1.00 0.32 H new ATOM 0 HG12 ILE A 98 -7.638 1.294 -0.887 1.00 0.36 H new ATOM 0 HG13 ILE A 98 -7.376 2.998 -0.574 1.00 0.36 H new ATOM 0 HG21 ILE A 98 -5.058 0.659 1.140 1.00 0.37 H new ATOM 0 HG22 ILE A 98 -6.083 0.365 2.565 1.00 0.37 H new ATOM 0 HG23 ILE A 98 -6.485 -0.396 1.007 1.00 0.37 H new ATOM 0 HD11 ILE A 98 -5.765 2.149 -2.207 1.00 0.37 H new ATOM 0 HD12 ILE A 98 -4.927 2.663 -0.724 1.00 0.37 H new ATOM 0 HD13 ILE A 98 -5.193 0.932 -1.041 1.00 0.37 H new ATOM 1520 N GLY A 99 -9.178 -0.069 3.156 1.00 0.40 N ATOM 1521 CA GLY A 99 -9.305 -0.833 4.396 1.00 0.37 C ATOM 1522 C GLY A 99 -8.543 -2.147 4.273 1.00 0.38 C ATOM 1523 O GLY A 99 -8.457 -2.723 3.192 1.00 0.42 O ATOM 0 H GLY A 99 -9.590 -0.563 2.364 1.00 0.40 H new ATOM 0 HA2 GLY A 99 -8.915 -0.253 5.233 1.00 0.37 H new ATOM 0 HA3 GLY A 99 -10.356 -1.030 4.607 1.00 0.37 H new ATOM 1527 N VAL A 100 -7.953 -2.608 5.375 1.00 0.38 N ATOM 1528 CA VAL A 100 -6.946 -3.680 5.377 1.00 0.39 C ATOM 1529 C VAL A 100 -7.391 -4.996 4.748 1.00 0.43 C ATOM 1530 O VAL A 100 -6.701 -5.564 3.902 1.00 0.46 O ATOM 1531 CB VAL A 100 -6.423 -3.873 6.801 1.00 0.54 C ATOM 1532 CG1 VAL A 100 -7.414 -4.341 7.874 1.00 0.75 C ATOM 1533 CG2 VAL A 100 -5.239 -4.819 6.767 1.00 0.82 C ATOM 0 H VAL A 100 -8.160 -2.246 6.306 1.00 0.38 H new ATOM 0 HA VAL A 100 -6.141 -3.350 4.721 1.00 0.39 H new ATOM 0 HB VAL A 100 -6.163 -2.864 7.120 1.00 0.54 H new ATOM 0 HG11 VAL A 100 -6.899 -4.432 8.830 1.00 0.75 H new ATOM 0 HG12 VAL A 100 -8.222 -3.615 7.965 1.00 0.75 H new ATOM 0 HG13 VAL A 100 -7.827 -5.309 7.590 1.00 0.75 H new ATOM 0 HG21 VAL A 100 -4.859 -4.963 7.778 1.00 0.82 H new ATOM 0 HG22 VAL A 100 -5.552 -5.779 6.357 1.00 0.82 H new ATOM 0 HG23 VAL A 100 -4.453 -4.396 6.141 1.00 0.82 H new ATOM 1543 N ASP A 101 -8.569 -5.445 5.151 1.00 0.49 N ATOM 1544 CA ASP A 101 -9.305 -6.590 4.648 1.00 0.45 C ATOM 1545 C ASP A 101 -9.418 -6.598 3.114 1.00 0.45 C ATOM 1546 O ASP A 101 -9.133 -7.590 2.430 1.00 0.51 O ATOM 1547 CB ASP A 101 -10.683 -6.441 5.299 1.00 0.55 C ATOM 1548 CG ASP A 101 -10.625 -6.688 6.807 1.00 2.26 C ATOM 1549 OD1 ASP A 101 -10.275 -5.715 7.513 1.00 4.17 O ATOM 1550 OD2 ASP A 101 -10.887 -7.838 7.220 1.00 2.36 O ATOM 0 H ASP A 101 -9.076 -4.977 5.902 1.00 0.49 H new ATOM 0 HA ASP A 101 -8.808 -7.530 4.889 1.00 0.45 H new ATOM 0 HB2 ASP A 101 -11.069 -5.440 5.109 1.00 0.55 H new ATOM 0 HB3 ASP A 101 -11.380 -7.144 4.842 1.00 0.55 H new ATOM 1555 N GLU A 102 -9.814 -5.445 2.578 1.00 0.42 N ATOM 1556 CA GLU A 102 -9.948 -5.183 1.153 1.00 0.43 C ATOM 1557 C GLU A 102 -8.556 -5.127 0.527 1.00 0.40 C ATOM 1558 O GLU A 102 -8.292 -5.853 -0.416 1.00 0.47 O ATOM 1559 CB GLU A 102 -10.713 -3.870 0.937 1.00 0.57 C ATOM 1560 CG GLU A 102 -12.094 -3.855 1.615 1.00 0.83 C ATOM 1561 CD GLU A 102 -12.457 -2.432 2.021 1.00 1.00 C ATOM 1562 OE1 GLU A 102 -11.998 -1.951 3.076 1.00 1.94 O ATOM 1563 OE2 GLU A 102 -13.161 -1.744 1.254 1.00 1.30 O ATOM 0 H GLU A 102 -10.059 -4.638 3.151 1.00 0.42 H new ATOM 0 HA GLU A 102 -10.514 -5.981 0.673 1.00 0.43 H new ATOM 0 HB2 GLU A 102 -10.117 -3.042 1.322 1.00 0.57 H new ATOM 0 HB3 GLU A 102 -10.839 -3.702 -0.133 1.00 0.57 H new ATOM 0 HG2 GLU A 102 -12.847 -4.252 0.934 1.00 0.83 H new ATOM 0 HG3 GLU A 102 -12.085 -4.502 2.492 1.00 0.83 H new ATOM 1570 N PHE A 103 -7.638 -4.329 1.079 1.00 0.42 N ATOM 1571 CA PHE A 103 -6.267 -4.125 0.602 1.00 0.51 C ATOM 1572 C PHE A 103 -5.483 -5.437 0.434 1.00 0.49 C ATOM 1573 O PHE A 103 -4.758 -5.607 -0.546 1.00 0.54 O ATOM 1574 CB PHE A 103 -5.571 -3.178 1.591 1.00 0.74 C ATOM 1575 CG PHE A 103 -4.316 -2.489 1.097 1.00 0.54 C ATOM 1576 CD1 PHE A 103 -4.315 -1.782 -0.122 1.00 1.59 C ATOM 1577 CD2 PHE A 103 -3.170 -2.467 1.912 1.00 1.89 C ATOM 1578 CE1 PHE A 103 -3.181 -1.056 -0.519 1.00 1.94 C ATOM 1579 CE2 PHE A 103 -2.018 -1.784 1.490 1.00 2.21 C ATOM 1580 CZ PHE A 103 -2.023 -1.070 0.277 1.00 1.68 C ATOM 0 H PHE A 103 -7.841 -3.779 1.914 1.00 0.42 H new ATOM 0 HA PHE A 103 -6.299 -3.689 -0.396 1.00 0.51 H new ATOM 0 HB2 PHE A 103 -6.286 -2.411 1.890 1.00 0.74 H new ATOM 0 HB3 PHE A 103 -5.319 -3.745 2.487 1.00 0.74 H new ATOM 0 HD1 PHE A 103 -5.191 -1.799 -0.754 1.00 1.59 H new ATOM 0 HD2 PHE A 103 -3.176 -2.976 2.864 1.00 1.89 H new ATOM 0 HE1 PHE A 103 -3.199 -0.487 -1.436 1.00 1.94 H new ATOM 0 HE2 PHE A 103 -1.126 -1.807 2.098 1.00 2.21 H new ATOM 0 HZ PHE A 103 -1.140 -0.535 -0.041 1.00 1.68 H new ATOM 1590 N SER A 104 -5.669 -6.383 1.362 1.00 0.47 N ATOM 1591 CA SER A 104 -5.119 -7.741 1.316 1.00 0.52 C ATOM 1592 C SER A 104 -5.663 -8.582 0.156 1.00 0.48 C ATOM 1593 O SER A 104 -4.923 -9.327 -0.486 1.00 0.75 O ATOM 1594 CB SER A 104 -5.460 -8.430 2.637 1.00 0.64 C ATOM 1595 OG SER A 104 -4.824 -9.689 2.710 1.00 1.08 O ATOM 0 H SER A 104 -6.229 -6.216 2.198 1.00 0.47 H new ATOM 0 HA SER A 104 -4.043 -7.658 1.159 1.00 0.52 H new ATOM 0 HB2 SER A 104 -5.144 -7.806 3.473 1.00 0.64 H new ATOM 0 HB3 SER A 104 -6.540 -8.554 2.722 1.00 0.64 H new ATOM 0 HG SER A 104 -5.049 -10.120 3.561 1.00 1.08 H new ATOM 1601 N THR A 105 -6.964 -8.469 -0.117 1.00 0.37 N ATOM 1602 CA THR A 105 -7.690 -9.301 -1.087 1.00 0.40 C ATOM 1603 C THR A 105 -7.734 -8.680 -2.488 1.00 0.40 C ATOM 1604 O THR A 105 -7.746 -9.397 -3.489 1.00 0.42 O ATOM 1605 CB THR A 105 -9.095 -9.614 -0.547 1.00 0.46 C ATOM 1606 OG1 THR A 105 -9.767 -8.467 -0.067 1.00 0.49 O ATOM 1607 CG2 THR A 105 -8.981 -10.590 0.620 1.00 0.47 C ATOM 0 H THR A 105 -7.560 -7.779 0.341 1.00 0.37 H new ATOM 0 HA THR A 105 -7.143 -10.236 -1.206 1.00 0.40 H new ATOM 0 HB THR A 105 -9.662 -10.029 -1.380 1.00 0.46 H new ATOM 0 HG1 THR A 105 -9.452 -8.258 0.837 1.00 0.49 H new ATOM 0 HG21 THR A 105 -9.976 -10.814 1.005 1.00 0.47 H new ATOM 0 HG22 THR A 105 -8.508 -11.511 0.279 1.00 0.47 H new ATOM 0 HG23 THR A 105 -8.378 -10.143 1.410 1.00 0.47 H new ATOM 1615 N LEU A 106 -7.592 -7.355 -2.556 1.00 0.44 N ATOM 1616 CA LEU A 106 -7.438 -6.484 -3.726 1.00 0.47 C ATOM 1617 C LEU A 106 -6.523 -7.081 -4.794 1.00 0.45 C ATOM 1618 O LEU A 106 -6.810 -7.089 -5.986 1.00 0.61 O ATOM 1619 CB LEU A 106 -6.822 -5.142 -3.241 1.00 0.70 C ATOM 1620 CG LEU A 106 -7.565 -3.875 -3.655 1.00 0.84 C ATOM 1621 CD1 LEU A 106 -7.723 -3.821 -5.174 1.00 1.45 C ATOM 1622 CD2 LEU A 106 -8.901 -3.771 -2.919 1.00 2.44 C ATOM 0 H LEU A 106 -7.581 -6.804 -1.698 1.00 0.44 H new ATOM 0 HA LEU A 106 -8.420 -6.350 -4.179 1.00 0.47 H new ATOM 0 HB2 LEU A 106 -6.762 -5.165 -2.153 1.00 0.70 H new ATOM 0 HB3 LEU A 106 -5.800 -5.078 -3.615 1.00 0.70 H new ATOM 0 HG LEU A 106 -6.977 -3.004 -3.366 1.00 0.84 H new ATOM 0 HD11 LEU A 106 -8.255 -2.911 -5.452 1.00 1.45 H new ATOM 0 HD12 LEU A 106 -6.739 -3.824 -5.642 1.00 1.45 H new ATOM 0 HD13 LEU A 106 -8.288 -4.690 -5.512 1.00 1.45 H new ATOM 0 HD21 LEU A 106 -9.416 -2.861 -3.227 1.00 2.44 H new ATOM 0 HD22 LEU A 106 -9.518 -4.637 -3.160 1.00 2.44 H new ATOM 0 HD23 LEU A 106 -8.723 -3.741 -1.844 1.00 2.44 H new ATOM 1634 N VAL A 107 -5.376 -7.555 -4.323 1.00 0.46 N ATOM 1635 CA VAL A 107 -4.241 -8.061 -5.091 1.00 0.57 C ATOM 1636 C VAL A 107 -4.279 -9.572 -5.326 1.00 0.54 C ATOM 1637 O VAL A 107 -3.437 -10.118 -6.041 1.00 0.62 O ATOM 1638 CB VAL A 107 -2.973 -7.704 -4.319 1.00 0.63 C ATOM 1639 CG1 VAL A 107 -2.734 -6.192 -4.405 1.00 0.90 C ATOM 1640 CG2 VAL A 107 -3.064 -8.171 -2.861 1.00 0.64 C ATOM 0 H VAL A 107 -5.200 -7.600 -3.319 1.00 0.46 H new ATOM 0 HA VAL A 107 -4.273 -7.602 -6.079 1.00 0.57 H new ATOM 0 HB VAL A 107 -2.125 -8.221 -4.768 1.00 0.63 H new ATOM 0 HG11 VAL A 107 -1.829 -5.935 -3.854 1.00 0.90 H new ATOM 0 HG12 VAL A 107 -2.619 -5.901 -5.449 1.00 0.90 H new ATOM 0 HG13 VAL A 107 -3.584 -5.664 -3.973 1.00 0.90 H new ATOM 0 HG21 VAL A 107 -2.147 -7.903 -2.335 1.00 0.64 H new ATOM 0 HG22 VAL A 107 -3.914 -7.689 -2.377 1.00 0.64 H new ATOM 0 HG23 VAL A 107 -3.196 -9.253 -2.833 1.00 0.64 H new ATOM 1650 N ALA A 108 -5.244 -10.254 -4.712 1.00 0.48 N ATOM 1651 CA ALA A 108 -5.630 -11.626 -5.006 1.00 0.54 C ATOM 1652 C ALA A 108 -6.712 -11.651 -6.090 1.00 0.68 C ATOM 1653 O ALA A 108 -6.583 -12.414 -7.042 1.00 0.87 O ATOM 1654 CB ALA A 108 -6.084 -12.290 -3.710 1.00 0.47 C ATOM 0 H ALA A 108 -5.801 -9.843 -3.963 1.00 0.48 H new ATOM 0 HA ALA A 108 -4.784 -12.189 -5.400 1.00 0.54 H new ATOM 0 HB1 ALA A 108 -6.377 -13.320 -3.912 1.00 0.47 H new ATOM 0 HB2 ALA A 108 -5.266 -12.280 -2.990 1.00 0.47 H new ATOM 0 HB3 ALA A 108 -6.934 -11.745 -3.300 1.00 0.47 H new