USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 640 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 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.049) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.0583 (180deg=-0.361) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0744) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.354 K(o=-0.35,f=-1.4) USER MOD Single : A 37 SER OG : rot 153:sc= 1.33 USER MOD Single : A 39 CYS SG : rot 117:sc= -3.43! USER MOD Single : A 42 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 17:sc= 0.116! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00715 USER MOD Single : A 52 SER OG : rot -126:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -147:sc= -0.135 (180deg=-0.863) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00493) USER MOD Single : A 80 THR OG1 : rot 180:sc= -2.05! USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 -14.432 -9.292 3.375 1.00 2.87 N ATOM 28 CA GLN A 3 -13.108 -9.539 2.794 1.00 2.29 C ATOM 29 C GLN A 3 -12.384 -8.232 2.498 1.00 1.97 C ATOM 30 O GLN A 3 -13.011 -7.209 2.246 1.00 2.17 O ATOM 31 CB GLN A 3 -13.232 -10.342 1.505 1.00 2.41 C ATOM 32 CG GLN A 3 -13.999 -11.633 1.678 1.00 3.17 C ATOM 33 CD GLN A 3 -13.518 -12.723 0.742 1.00 3.60 C ATOM 34 OE1 GLN A 3 -12.580 -13.453 1.058 1.00 3.44 O ATOM 35 NE2 GLN A 3 -14.157 -12.837 -0.421 1.00 4.47 N ATOM 0 HA GLN A 3 -12.531 -10.106 3.525 1.00 2.29 H new ATOM 0 HB2 GLN A 3 -13.728 -9.731 0.750 1.00 2.41 H new ATOM 0 HB3 GLN A 3 -12.235 -10.567 1.128 1.00 2.41 H new ATOM 0 HG2 GLN A 3 -13.902 -11.974 2.709 1.00 3.17 H new ATOM 0 HG3 GLN A 3 -15.059 -11.449 1.502 1.00 3.17 H new ATOM 0 HE21 GLN A 3 -14.930 -12.210 -0.642 1.00 4.47 H new ATOM 0 HE22 GLN A 3 -13.873 -13.552 -1.091 1.00 4.47 H new ATOM 44 N VAL A 4 -11.061 -8.270 2.527 1.00 1.57 N ATOM 45 CA VAL A 4 -10.260 -7.082 2.258 1.00 1.29 C ATOM 46 C VAL A 4 -9.078 -7.413 1.354 1.00 1.28 C ATOM 47 O VAL A 4 -8.504 -8.500 1.440 1.00 1.44 O ATOM 48 CB VAL A 4 -9.726 -6.436 3.563 1.00 1.17 C ATOM 49 CG1 VAL A 4 -10.866 -5.998 4.471 1.00 1.39 C ATOM 50 CG2 VAL A 4 -8.784 -7.385 4.291 1.00 1.57 C ATOM 0 H VAL A 4 -10.518 -9.108 2.734 1.00 1.57 H new ATOM 0 HA VAL A 4 -10.918 -6.371 1.758 1.00 1.29 H new ATOM 0 HB VAL A 4 -9.163 -5.544 3.286 1.00 1.17 H new ATOM 0 HG11 VAL A 4 -10.458 -5.549 5.377 1.00 1.39 H new ATOM 0 HG12 VAL A 4 -11.485 -5.267 3.951 1.00 1.39 H new ATOM 0 HG13 VAL A 4 -11.473 -6.864 4.737 1.00 1.39 H new ATOM 0 HG21 VAL A 4 -8.422 -6.910 5.203 1.00 1.57 H new ATOM 0 HG22 VAL A 4 -9.316 -8.302 4.546 1.00 1.57 H new ATOM 0 HG23 VAL A 4 -7.938 -7.624 3.646 1.00 1.57 H new ATOM 60 N VAL A 5 -8.701 -6.460 0.515 1.00 1.14 N ATOM 61 CA VAL A 5 -7.563 -6.633 -0.370 1.00 1.22 C ATOM 62 C VAL A 5 -6.361 -5.964 0.274 1.00 1.03 C ATOM 63 O VAL A 5 -6.423 -4.796 0.644 1.00 0.92 O ATOM 64 CB VAL A 5 -7.792 -6.022 -1.770 1.00 1.29 C ATOM 65 CG1 VAL A 5 -8.813 -6.826 -2.556 1.00 1.79 C ATOM 66 CG2 VAL A 5 -8.227 -4.568 -1.676 1.00 1.70 C ATOM 0 H VAL A 5 -9.169 -5.558 0.430 1.00 1.14 H new ATOM 0 HA VAL A 5 -7.406 -7.702 -0.512 1.00 1.22 H new ATOM 0 HB VAL A 5 -6.840 -6.059 -2.300 1.00 1.29 H new ATOM 0 HG11 VAL A 5 -8.955 -6.374 -3.537 1.00 1.79 H new ATOM 0 HG12 VAL A 5 -8.456 -7.849 -2.676 1.00 1.79 H new ATOM 0 HG13 VAL A 5 -9.762 -6.833 -2.019 1.00 1.79 H new ATOM 0 HG21 VAL A 5 -8.380 -4.168 -2.679 1.00 1.70 H new ATOM 0 HG22 VAL A 5 -9.158 -4.503 -1.114 1.00 1.70 H new ATOM 0 HG23 VAL A 5 -7.455 -3.989 -1.168 1.00 1.70 H new ATOM 76 N GLN A 6 -5.288 -6.717 0.455 1.00 1.03 N ATOM 77 CA GLN A 6 -4.104 -6.191 1.113 1.00 0.85 C ATOM 78 C GLN A 6 -3.014 -5.804 0.127 1.00 0.83 C ATOM 79 O GLN A 6 -2.825 -6.461 -0.894 1.00 0.94 O ATOM 80 CB GLN A 6 -3.559 -7.222 2.108 1.00 0.83 C ATOM 81 CG GLN A 6 -4.395 -7.366 3.382 1.00 1.45 C ATOM 82 CD GLN A 6 -4.504 -8.803 3.861 1.00 1.81 C ATOM 83 OE1 GLN A 6 -4.271 -9.101 5.033 1.00 2.26 O ATOM 84 NE2 GLN A 6 -4.856 -9.709 2.959 1.00 2.01 N ATOM 0 H GLN A 6 -5.213 -7.690 0.157 1.00 1.03 H new ATOM 0 HA GLN A 6 -4.404 -5.285 1.639 1.00 0.85 H new ATOM 0 HB2 GLN A 6 -3.500 -8.192 1.614 1.00 0.83 H new ATOM 0 HB3 GLN A 6 -2.542 -6.942 2.384 1.00 0.83 H new ATOM 0 HG2 GLN A 6 -3.952 -6.758 4.171 1.00 1.45 H new ATOM 0 HG3 GLN A 6 -5.395 -6.973 3.200 1.00 1.45 H new ATOM 0 HE21 GLN A 6 -5.041 -9.426 1.997 1.00 2.01 H new ATOM 0 HE22 GLN A 6 -4.941 -10.689 3.227 1.00 2.01 H new ATOM 93 N PHE A 7 -2.294 -4.733 0.455 1.00 0.74 N ATOM 94 CA PHE A 7 -1.207 -4.254 -0.379 1.00 0.78 C ATOM 95 C PHE A 7 0.141 -4.630 0.240 1.00 0.62 C ATOM 96 O PHE A 7 0.321 -4.557 1.461 1.00 0.55 O ATOM 97 CB PHE A 7 -1.307 -2.734 -0.579 1.00 0.86 C ATOM 98 CG PHE A 7 -0.002 -2.050 -0.929 1.00 0.97 C ATOM 99 CD1 PHE A 7 0.685 -2.360 -2.099 1.00 1.14 C ATOM 100 CD2 PHE A 7 0.536 -1.107 -0.072 1.00 0.98 C ATOM 101 CE1 PHE A 7 1.880 -1.721 -2.402 1.00 1.29 C ATOM 102 CE2 PHE A 7 1.723 -0.472 -0.370 1.00 1.17 C ATOM 103 CZ PHE A 7 2.398 -0.782 -1.533 1.00 1.29 C ATOM 0 H PHE A 7 -2.450 -4.181 1.299 1.00 0.74 H new ATOM 0 HA PHE A 7 -1.284 -4.730 -1.356 1.00 0.78 H new ATOM 0 HB2 PHE A 7 -2.029 -2.533 -1.370 1.00 0.86 H new ATOM 0 HB3 PHE A 7 -1.701 -2.287 0.334 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.286 -3.102 -2.775 1.00 1.14 H new ATOM 0 HD2 PHE A 7 0.019 -0.864 0.844 1.00 0.98 H new ATOM 0 HE1 PHE A 7 2.403 -1.958 -3.316 1.00 1.29 H new ATOM 0 HE2 PHE A 7 2.124 0.268 0.307 1.00 1.17 H new ATOM 0 HZ PHE A 7 3.331 -0.290 -1.763 1.00 1.29 H new ATOM 113 N LYS A 8 1.073 -5.031 -0.625 1.00 0.60 N ATOM 114 CA LYS A 8 2.411 -5.427 -0.207 1.00 0.54 C ATOM 115 C LYS A 8 3.478 -4.676 -0.998 1.00 0.68 C ATOM 116 O LYS A 8 3.306 -4.397 -2.181 1.00 0.77 O ATOM 117 CB LYS A 8 2.604 -6.924 -0.401 1.00 0.61 C ATOM 118 CG LYS A 8 2.421 -7.383 -1.839 1.00 1.40 C ATOM 119 CD LYS A 8 1.054 -8.002 -2.045 1.00 2.22 C ATOM 120 CE LYS A 8 1.038 -9.478 -1.666 1.00 1.88 C ATOM 121 NZ LYS A 8 1.870 -10.311 -2.574 1.00 2.42 N ATOM 0 H LYS A 8 0.919 -5.089 -1.632 1.00 0.60 H new ATOM 0 HA LYS A 8 2.516 -5.178 0.849 1.00 0.54 H new ATOM 0 HB2 LYS A 8 3.604 -7.199 -0.066 1.00 0.61 H new ATOM 0 HB3 LYS A 8 1.897 -7.458 0.234 1.00 0.61 H new ATOM 0 HG2 LYS A 8 2.545 -6.535 -2.513 1.00 1.40 H new ATOM 0 HG3 LYS A 8 3.194 -8.108 -2.094 1.00 1.40 H new ATOM 0 HD2 LYS A 8 0.318 -7.465 -1.447 1.00 2.22 H new ATOM 0 HD3 LYS A 8 0.758 -7.891 -3.088 1.00 2.22 H new ATOM 0 HE2 LYS A 8 1.399 -9.591 -0.644 1.00 1.88 H new ATOM 0 HE3 LYS A 8 0.011 -9.843 -1.684 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 1.573 -11.305 -2.502 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 1.749 -9.983 -3.554 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 2.870 -10.228 -2.302 1.00 2.42 H new ATOM 135 N LEU A 9 4.585 -4.365 -0.341 1.00 0.86 N ATOM 136 CA LEU A 9 5.683 -3.655 -0.979 1.00 1.06 C ATOM 137 C LEU A 9 6.032 -4.280 -2.324 1.00 1.74 C ATOM 138 O LEU A 9 6.332 -5.466 -2.409 1.00 2.24 O ATOM 139 CB LEU A 9 6.883 -3.686 -0.044 1.00 1.28 C ATOM 140 CG LEU A 9 8.064 -2.799 -0.425 1.00 1.38 C ATOM 141 CD1 LEU A 9 8.745 -3.324 -1.674 1.00 1.75 C ATOM 142 CD2 LEU A 9 7.624 -1.352 -0.605 1.00 1.96 C ATOM 0 H LEU A 9 4.747 -4.595 0.639 1.00 0.86 H new ATOM 0 HA LEU A 9 5.388 -2.623 -1.170 1.00 1.06 H new ATOM 0 HB2 LEU A 9 6.547 -3.398 0.952 1.00 1.28 H new ATOM 0 HB3 LEU A 9 7.237 -4.715 0.024 1.00 1.28 H new ATOM 0 HG LEU A 9 8.787 -2.825 0.390 1.00 1.38 H new ATOM 0 HD11 LEU A 9 9.585 -2.678 -1.930 1.00 1.75 H new ATOM 0 HD12 LEU A 9 9.108 -4.336 -1.493 1.00 1.75 H new ATOM 0 HD13 LEU A 9 8.033 -3.336 -2.499 1.00 1.75 H new ATOM 0 HD21 LEU A 9 8.485 -0.741 -0.876 1.00 1.96 H new ATOM 0 HD22 LEU A 9 6.875 -1.295 -1.395 1.00 1.96 H new ATOM 0 HD23 LEU A 9 7.197 -0.983 0.327 1.00 1.96 H new ATOM 154 N SER A 10 5.994 -3.470 -3.370 1.00 2.11 N ATOM 155 CA SER A 10 6.306 -3.945 -4.715 1.00 2.83 C ATOM 156 C SER A 10 7.496 -3.187 -5.301 1.00 2.93 C ATOM 157 O SER A 10 7.952 -2.186 -4.741 1.00 3.26 O ATOM 158 CB SER A 10 5.085 -3.781 -5.625 1.00 3.76 C ATOM 159 OG SER A 10 4.246 -2.735 -5.157 1.00 4.49 O ATOM 0 H SER A 10 5.751 -2.481 -3.317 1.00 2.11 H new ATOM 0 HA SER A 10 6.570 -5.001 -4.651 1.00 2.83 H new ATOM 0 HB2 SER A 10 5.410 -3.565 -6.643 1.00 3.76 H new ATOM 0 HB3 SER A 10 4.524 -4.715 -5.661 1.00 3.76 H new ATOM 0 HG SER A 10 3.473 -2.645 -5.752 1.00 4.49 H new ATOM 165 N ASP A 11 7.989 -3.674 -6.443 1.00 3.22 N ATOM 166 CA ASP A 11 9.123 -3.062 -7.150 1.00 3.68 C ATOM 167 C ASP A 11 10.468 -3.603 -6.651 1.00 3.44 C ATOM 168 O ASP A 11 11.495 -3.435 -7.316 1.00 4.01 O ATOM 169 CB ASP A 11 9.094 -1.533 -7.041 1.00 4.18 C ATOM 170 CG ASP A 11 9.858 -0.871 -8.172 1.00 4.90 C ATOM 171 OD1 ASP A 11 11.107 -0.864 -8.118 1.00 5.24 O ATOM 172 OD2 ASP A 11 9.214 -0.367 -9.114 1.00 5.41 O ATOM 0 H ASP A 11 7.615 -4.503 -6.905 1.00 3.22 H new ATOM 0 HA ASP A 11 9.019 -3.335 -8.200 1.00 3.68 H new ATOM 0 HB2 ASP A 11 8.060 -1.188 -7.050 1.00 4.18 H new ATOM 0 HB3 ASP A 11 9.523 -1.229 -6.086 1.00 4.18 H new ATOM 177 N ILE A 12 10.463 -4.250 -5.483 1.00 2.82 N ATOM 178 CA ILE A 12 11.693 -4.816 -4.901 1.00 2.70 C ATOM 179 C ILE A 12 11.673 -6.347 -4.924 1.00 2.96 C ATOM 180 O ILE A 12 10.619 -6.966 -4.772 1.00 3.29 O ATOM 181 CB ILE A 12 11.922 -4.335 -3.441 1.00 2.58 C ATOM 182 CG1 ILE A 12 12.170 -2.833 -3.432 1.00 1.94 C ATOM 183 CG2 ILE A 12 13.108 -5.061 -2.798 1.00 3.25 C ATOM 184 CD1 ILE A 12 11.751 -2.152 -2.154 1.00 1.97 C ATOM 0 H ILE A 12 9.626 -4.397 -4.919 1.00 2.82 H new ATOM 0 HA ILE A 12 12.514 -4.457 -5.522 1.00 2.70 H new ATOM 0 HB ILE A 12 11.029 -4.565 -2.860 1.00 2.58 H new ATOM 0 HG12 ILE A 12 13.231 -2.649 -3.599 1.00 1.94 H new ATOM 0 HG13 ILE A 12 11.633 -2.381 -4.266 1.00 1.94 H new ATOM 0 HG21 ILE A 12 13.243 -4.703 -1.777 1.00 3.25 H new ATOM 0 HG22 ILE A 12 12.914 -6.133 -2.784 1.00 3.25 H new ATOM 0 HG23 ILE A 12 14.012 -4.863 -3.375 1.00 3.25 H new ATOM 0 HD11 ILE A 12 11.960 -1.085 -2.225 1.00 1.97 H new ATOM 0 HD12 ILE A 12 10.683 -2.303 -1.994 1.00 1.97 H new ATOM 0 HD13 ILE A 12 12.307 -2.575 -1.317 1.00 1.97 H new ATOM 196 N GLY A 13 12.854 -6.943 -5.110 1.00 3.15 N ATOM 197 CA GLY A 13 12.968 -8.384 -5.143 1.00 3.67 C ATOM 198 C GLY A 13 13.676 -8.935 -3.920 1.00 3.84 C ATOM 199 O GLY A 13 14.738 -8.446 -3.532 1.00 3.63 O ATOM 0 H GLY A 13 13.734 -6.444 -5.238 1.00 3.15 H new ATOM 0 HA2 GLY A 13 11.973 -8.823 -5.212 1.00 3.67 H new ATOM 0 HA3 GLY A 13 13.511 -8.683 -6.040 1.00 3.67 H new ATOM 203 N GLU A 14 13.084 -9.949 -3.308 1.00 4.49 N ATOM 204 CA GLU A 14 13.653 -10.562 -2.110 1.00 4.81 C ATOM 205 C GLU A 14 15.146 -10.866 -2.277 1.00 4.15 C ATOM 206 O GLU A 14 15.520 -11.923 -2.787 1.00 4.04 O ATOM 207 CB GLU A 14 12.877 -11.839 -1.773 1.00 5.76 C ATOM 208 CG GLU A 14 12.270 -11.829 -0.377 1.00 6.16 C ATOM 209 CD GLU A 14 13.327 -11.856 0.713 1.00 7.04 C ATOM 210 OE1 GLU A 14 14.116 -12.823 0.747 1.00 7.20 O ATOM 211 OE2 GLU A 14 13.370 -10.913 1.534 1.00 7.72 O ATOM 0 H GLU A 14 12.208 -10.368 -3.619 1.00 4.49 H new ATOM 0 HA GLU A 14 13.563 -9.852 -1.288 1.00 4.81 H new ATOM 0 HB2 GLU A 14 12.082 -11.976 -2.506 1.00 5.76 H new ATOM 0 HB3 GLU A 14 13.545 -12.696 -1.864 1.00 5.76 H new ATOM 0 HG2 GLU A 14 11.652 -10.939 -0.259 1.00 6.16 H new ATOM 0 HG3 GLU A 14 11.612 -12.691 -0.263 1.00 6.16 H new ATOM 218 N GLY A 15 16.000 -9.931 -1.850 1.00 3.81 N ATOM 219 CA GLY A 15 17.436 -10.142 -1.967 1.00 3.32 C ATOM 220 C GLY A 15 18.212 -8.847 -2.114 1.00 2.93 C ATOM 221 O GLY A 15 19.421 -8.801 -1.882 1.00 3.13 O ATOM 0 H GLY A 15 15.726 -9.043 -1.431 1.00 3.81 H new ATOM 0 HA2 GLY A 15 17.793 -10.676 -1.086 1.00 3.32 H new ATOM 0 HA3 GLY A 15 17.636 -10.779 -2.828 1.00 3.32 H new ATOM 225 N ILE A 16 17.513 -7.801 -2.527 1.00 2.53 N ATOM 226 CA ILE A 16 18.125 -6.498 -2.734 1.00 2.22 C ATOM 227 C ILE A 16 17.747 -5.533 -1.614 1.00 1.91 C ATOM 228 O ILE A 16 17.375 -5.954 -0.523 1.00 1.88 O ATOM 229 CB ILE A 16 17.710 -5.916 -4.104 1.00 2.22 C ATOM 230 CG1 ILE A 16 16.227 -5.499 -4.101 1.00 2.32 C ATOM 231 CG2 ILE A 16 18.007 -6.921 -5.213 1.00 2.54 C ATOM 232 CD1 ILE A 16 15.843 -4.595 -5.253 1.00 2.22 C ATOM 0 H ILE A 16 16.513 -7.830 -2.727 1.00 2.53 H new ATOM 0 HA ILE A 16 19.207 -6.629 -2.722 1.00 2.22 H new ATOM 0 HB ILE A 16 18.297 -5.017 -4.294 1.00 2.22 H new ATOM 0 HG12 ILE A 16 15.607 -6.395 -4.133 1.00 2.32 H new ATOM 0 HG13 ILE A 16 16.004 -4.991 -3.163 1.00 2.32 H new ATOM 0 HG21 ILE A 16 17.711 -6.501 -6.174 1.00 2.54 H new ATOM 0 HG22 ILE A 16 19.074 -7.142 -5.227 1.00 2.54 H new ATOM 0 HG23 ILE A 16 17.449 -7.839 -5.031 1.00 2.54 H new ATOM 0 HD11 ILE A 16 14.784 -4.345 -5.182 1.00 2.22 H new ATOM 0 HD12 ILE A 16 16.435 -3.681 -5.211 1.00 2.22 H new ATOM 0 HD13 ILE A 16 16.032 -5.107 -6.196 1.00 2.22 H new ATOM 244 N ARG A 17 17.844 -4.242 -1.884 1.00 1.82 N ATOM 245 CA ARG A 17 17.500 -3.241 -0.891 1.00 1.64 C ATOM 246 C ARG A 17 15.979 -3.061 -0.820 1.00 1.22 C ATOM 247 O ARG A 17 15.266 -3.305 -1.792 1.00 1.14 O ATOM 248 CB ARG A 17 18.193 -1.917 -1.208 1.00 1.77 C ATOM 249 CG ARG A 17 19.163 -1.463 -0.121 1.00 2.27 C ATOM 250 CD ARG A 17 19.573 -0.013 -0.301 1.00 2.75 C ATOM 251 NE ARG A 17 19.696 0.339 -1.706 1.00 3.16 N ATOM 252 CZ ARG A 17 18.707 0.850 -2.429 1.00 3.76 C ATOM 253 NH1 ARG A 17 17.495 1.020 -1.908 1.00 4.04 N ATOM 254 NH2 ARG A 17 18.921 1.175 -3.692 1.00 4.40 N ATOM 0 H ARG A 17 18.157 -3.865 -2.779 1.00 1.82 H new ATOM 0 HA ARG A 17 17.848 -3.581 0.085 1.00 1.64 H new ATOM 0 HB2 ARG A 17 18.734 -2.015 -2.149 1.00 1.77 H new ATOM 0 HB3 ARG A 17 17.437 -1.146 -1.354 1.00 1.77 H new ATOM 0 HG2 ARG A 17 18.699 -1.591 0.857 1.00 2.27 H new ATOM 0 HG3 ARG A 17 20.050 -2.096 -0.138 1.00 2.27 H new ATOM 0 HD2 ARG A 17 18.837 0.635 0.174 1.00 2.75 H new ATOM 0 HD3 ARG A 17 20.524 0.162 0.203 1.00 2.75 H new ATOM 0 HE ARG A 17 20.595 0.184 -2.163 1.00 3.16 H new ATOM 0 HH11 ARG A 17 17.315 0.756 -0.939 1.00 4.04 H new ATOM 0 HH12 ARG A 17 16.746 1.414 -2.477 1.00 4.04 H new ATOM 0 HH21 ARG A 17 19.842 1.033 -4.106 1.00 4.40 H new ATOM 0 HH22 ARG A 17 18.165 1.568 -4.253 1.00 4.40 H new ATOM 268 N GLU A 18 15.482 -2.656 0.335 1.00 1.16 N ATOM 269 CA GLU A 18 14.047 -2.466 0.520 1.00 0.91 C ATOM 270 C GLU A 18 13.696 -0.996 0.377 1.00 0.63 C ATOM 271 O GLU A 18 14.592 -0.171 0.206 1.00 0.66 O ATOM 272 CB GLU A 18 13.621 -3.008 1.876 1.00 1.29 C ATOM 273 CG GLU A 18 13.980 -4.470 2.066 1.00 1.64 C ATOM 274 CD GLU A 18 13.143 -5.395 1.205 1.00 1.83 C ATOM 275 OE1 GLU A 18 12.489 -4.899 0.264 1.00 2.11 O ATOM 276 OE2 GLU A 18 13.146 -6.618 1.465 1.00 2.17 O ATOM 0 H GLU A 18 16.046 -2.452 1.160 1.00 1.16 H new ATOM 0 HA GLU A 18 13.506 -3.018 -0.248 1.00 0.91 H new ATOM 0 HB2 GLU A 18 14.092 -2.418 2.662 1.00 1.29 H new ATOM 0 HB3 GLU A 18 12.544 -2.886 1.988 1.00 1.29 H new ATOM 0 HG2 GLU A 18 15.034 -4.615 1.829 1.00 1.64 H new ATOM 0 HG3 GLU A 18 13.849 -4.739 3.114 1.00 1.64 H new ATOM 283 N VAL A 19 12.402 -0.653 0.392 1.00 0.63 N ATOM 284 CA VAL A 19 12.033 0.752 0.202 1.00 0.57 C ATOM 285 C VAL A 19 11.126 1.314 1.291 1.00 0.41 C ATOM 286 O VAL A 19 10.336 0.601 1.916 1.00 0.47 O ATOM 287 CB VAL A 19 11.371 0.983 -1.168 1.00 0.93 C ATOM 288 CG1 VAL A 19 9.997 0.341 -1.238 1.00 1.51 C ATOM 289 CG2 VAL A 19 11.273 2.465 -1.461 1.00 1.16 C ATOM 0 H VAL A 19 11.624 -1.298 0.528 1.00 0.63 H new ATOM 0 HA VAL A 19 12.979 1.291 0.259 1.00 0.57 H new ATOM 0 HB VAL A 19 11.998 0.511 -1.924 1.00 0.93 H new ATOM 0 HG11 VAL A 19 9.559 0.524 -2.219 1.00 1.51 H new ATOM 0 HG12 VAL A 19 10.089 -0.733 -1.076 1.00 1.51 H new ATOM 0 HG13 VAL A 19 9.355 0.770 -0.469 1.00 1.51 H new ATOM 0 HG21 VAL A 19 10.803 2.613 -2.433 1.00 1.16 H new ATOM 0 HG22 VAL A 19 10.674 2.949 -0.690 1.00 1.16 H new ATOM 0 HG23 VAL A 19 12.272 2.901 -1.471 1.00 1.16 H new ATOM 299 N THR A 20 11.253 2.616 1.497 1.00 0.37 N ATOM 300 CA THR A 20 10.476 3.324 2.489 1.00 0.30 C ATOM 301 C THR A 20 9.297 4.023 1.852 1.00 0.33 C ATOM 302 O THR A 20 9.278 4.270 0.645 1.00 0.65 O ATOM 303 CB THR A 20 11.336 4.392 3.185 1.00 0.43 C ATOM 304 OG1 THR A 20 12.725 4.109 2.994 1.00 0.69 O ATOM 305 CG2 THR A 20 11.016 4.480 4.664 1.00 0.54 C ATOM 0 H THR A 20 11.901 3.208 0.977 1.00 0.37 H new ATOM 0 HA THR A 20 10.126 2.587 3.212 1.00 0.30 H new ATOM 0 HB THR A 20 11.104 5.357 2.734 1.00 0.43 H new ATOM 0 HG1 THR A 20 13.263 4.796 3.440 1.00 0.69 H new ATOM 0 HG21 THR A 20 11.641 5.244 5.127 1.00 0.54 H new ATOM 0 HG22 THR A 20 9.966 4.742 4.794 1.00 0.54 H new ATOM 0 HG23 THR A 20 11.211 3.517 5.136 1.00 0.54 H new ATOM 313 N VAL A 21 8.331 4.366 2.683 1.00 0.28 N ATOM 314 CA VAL A 21 7.151 5.079 2.214 1.00 0.25 C ATOM 315 C VAL A 21 7.437 6.583 2.190 1.00 0.29 C ATOM 316 O VAL A 21 7.891 7.152 3.184 1.00 0.33 O ATOM 317 CB VAL A 21 5.937 4.792 3.113 1.00 0.29 C ATOM 318 CG1 VAL A 21 4.681 5.450 2.541 1.00 1.39 C ATOM 319 CG2 VAL A 21 5.752 3.287 3.289 1.00 1.21 C ATOM 0 H VAL A 21 8.337 4.165 3.683 1.00 0.28 H new ATOM 0 HA VAL A 21 6.916 4.733 1.207 1.00 0.25 H new ATOM 0 HB VAL A 21 6.116 5.223 4.098 1.00 0.29 H new ATOM 0 HG11 VAL A 21 3.831 5.237 3.189 1.00 1.39 H new ATOM 0 HG12 VAL A 21 4.830 6.528 2.481 1.00 1.39 H new ATOM 0 HG13 VAL A 21 4.485 5.055 1.544 1.00 1.39 H new ATOM 0 HG21 VAL A 21 4.889 3.099 3.928 1.00 1.21 H new ATOM 0 HG22 VAL A 21 5.591 2.824 2.316 1.00 1.21 H new ATOM 0 HG23 VAL A 21 6.644 2.862 3.750 1.00 1.21 H new ATOM 329 N LYS A 22 7.202 7.222 1.052 1.00 0.36 N ATOM 330 CA LYS A 22 7.475 8.655 0.916 1.00 0.46 C ATOM 331 C LYS A 22 6.225 9.496 1.171 1.00 0.52 C ATOM 332 O LYS A 22 6.319 10.654 1.570 1.00 0.66 O ATOM 333 CB LYS A 22 8.021 8.945 -0.484 1.00 0.52 C ATOM 334 CG LYS A 22 8.835 10.227 -0.586 1.00 0.78 C ATOM 335 CD LYS A 22 10.069 10.177 0.294 1.00 1.48 C ATOM 336 CE LYS A 22 11.175 11.073 -0.227 1.00 2.16 C ATOM 337 NZ LYS A 22 10.733 12.476 -0.412 1.00 2.95 N ATOM 0 H LYS A 22 6.826 6.779 0.213 1.00 0.36 H new ATOM 0 HA LYS A 22 8.217 8.928 1.666 1.00 0.46 H new ATOM 0 HB2 LYS A 22 8.643 8.107 -0.799 1.00 0.52 H new ATOM 0 HB3 LYS A 22 7.186 9.002 -1.182 1.00 0.52 H new ATOM 0 HG2 LYS A 22 9.133 10.388 -1.622 1.00 0.78 H new ATOM 0 HG3 LYS A 22 8.215 11.076 -0.297 1.00 0.78 H new ATOM 0 HD2 LYS A 22 9.804 10.480 1.307 1.00 1.48 H new ATOM 0 HD3 LYS A 22 10.431 9.151 0.352 1.00 1.48 H new ATOM 0 HE2 LYS A 22 12.014 11.049 0.468 1.00 2.16 H new ATOM 0 HE3 LYS A 22 11.537 10.682 -1.178 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 11.549 13.066 -0.671 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 10.021 12.519 -1.169 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 10.319 12.829 0.474 1.00 2.95 H new ATOM 351 N GLU A 23 5.060 8.917 0.921 1.00 0.46 N ATOM 352 CA GLU A 23 3.798 9.629 1.116 1.00 0.56 C ATOM 353 C GLU A 23 2.733 8.714 1.706 1.00 0.42 C ATOM 354 O GLU A 23 2.462 7.647 1.166 1.00 0.42 O ATOM 355 CB GLU A 23 3.300 10.190 -0.208 1.00 0.73 C ATOM 356 CG GLU A 23 2.781 11.606 -0.079 1.00 1.09 C ATOM 357 CD GLU A 23 3.189 12.482 -1.243 1.00 1.33 C ATOM 358 OE1 GLU A 23 2.688 12.252 -2.365 1.00 1.63 O ATOM 359 OE2 GLU A 23 4.012 13.399 -1.036 1.00 2.13 O ATOM 0 H GLU A 23 4.958 7.960 0.584 1.00 0.46 H new ATOM 0 HA GLU A 23 3.983 10.445 1.815 1.00 0.56 H new ATOM 0 HB2 GLU A 23 4.111 10.169 -0.936 1.00 0.73 H new ATOM 0 HB3 GLU A 23 2.507 9.550 -0.595 1.00 0.73 H new ATOM 0 HG2 GLU A 23 1.694 11.586 -0.008 1.00 1.09 H new ATOM 0 HG3 GLU A 23 3.153 12.043 0.848 1.00 1.09 H new ATOM 366 N TRP A 24 2.121 9.152 2.806 1.00 0.35 N ATOM 367 CA TRP A 24 1.070 8.383 3.461 1.00 0.26 C ATOM 368 C TRP A 24 -0.197 9.220 3.563 1.00 0.24 C ATOM 369 O TRP A 24 -0.210 10.252 4.232 1.00 0.33 O ATOM 370 CB TRP A 24 1.526 7.951 4.853 1.00 0.37 C ATOM 371 CG TRP A 24 2.062 6.563 4.891 1.00 0.43 C ATOM 372 CD1 TRP A 24 3.343 6.196 5.185 1.00 0.75 C ATOM 373 CD2 TRP A 24 1.343 5.357 4.624 1.00 0.36 C ATOM 374 NE1 TRP A 24 3.464 4.834 5.123 1.00 0.74 N ATOM 375 CE2 TRP A 24 2.257 4.298 4.775 1.00 0.47 C ATOM 376 CE3 TRP A 24 0.019 5.061 4.269 1.00 0.61 C ATOM 377 CZ2 TRP A 24 1.898 2.973 4.591 1.00 0.52 C ATOM 378 CZ3 TRP A 24 -0.332 3.734 4.089 1.00 0.83 C ATOM 379 CH2 TRP A 24 0.608 2.708 4.247 1.00 0.70 C ATOM 0 H TRP A 24 2.338 10.039 3.261 1.00 0.35 H new ATOM 0 HA TRP A 24 0.860 7.493 2.868 1.00 0.26 H new ATOM 0 HB2 TRP A 24 2.293 8.640 5.207 1.00 0.37 H new ATOM 0 HB3 TRP A 24 0.686 8.028 5.543 1.00 0.37 H new ATOM 0 HD1 TRP A 24 4.143 6.879 5.430 1.00 0.75 H new ATOM 0 HE1 TRP A 24 4.317 4.305 5.307 1.00 0.74 H new ATOM 0 HE3 TRP A 24 -0.709 5.849 4.139 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 2.617 2.177 4.716 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 -1.349 3.486 3.822 1.00 0.83 H new ATOM 0 HH2 TRP A 24 0.303 1.684 4.092 1.00 0.70 H new ATOM 390 N TYR A 25 -1.254 8.786 2.881 1.00 0.20 N ATOM 391 CA TYR A 25 -2.506 9.534 2.892 1.00 0.31 C ATOM 392 C TYR A 25 -3.667 8.720 3.439 1.00 0.27 C ATOM 393 O TYR A 25 -4.813 8.952 3.060 1.00 0.36 O ATOM 394 CB TYR A 25 -2.827 10.022 1.477 1.00 0.42 C ATOM 395 CG TYR A 25 -2.062 11.272 1.104 1.00 0.70 C ATOM 396 CD1 TYR A 25 -2.159 12.421 1.877 1.00 1.16 C ATOM 397 CD2 TYR A 25 -1.240 11.298 -0.013 1.00 1.07 C ATOM 398 CE1 TYR A 25 -1.456 13.563 1.552 1.00 1.44 C ATOM 399 CE2 TYR A 25 -0.529 12.442 -0.350 1.00 1.34 C ATOM 400 CZ TYR A 25 -0.640 13.572 0.439 1.00 1.36 C ATOM 401 OH TYR A 25 0.072 14.721 0.122 1.00 1.72 O ATOM 0 H TYR A 25 -1.269 7.933 2.322 1.00 0.20 H new ATOM 0 HA TYR A 25 -2.372 10.385 3.559 1.00 0.31 H new ATOM 0 HB2 TYR A 25 -2.595 9.232 0.763 1.00 0.42 H new ATOM 0 HB3 TYR A 25 -3.896 10.218 1.398 1.00 0.42 H new ATOM 0 HD1 TYR A 25 -2.796 12.421 2.749 1.00 1.16 H new ATOM 0 HD2 TYR A 25 -1.152 10.416 -0.629 1.00 1.07 H new ATOM 0 HE1 TYR A 25 -1.544 14.447 2.166 1.00 1.44 H new ATOM 0 HE2 TYR A 25 0.107 12.449 -1.223 1.00 1.34 H new ATOM 0 HH TYR A 25 0.600 14.565 -0.689 1.00 1.72 H new ATOM 411 N VAL A 26 -3.391 7.778 4.336 1.00 0.22 N ATOM 412 CA VAL A 26 -4.458 6.962 4.913 1.00 0.22 C ATOM 413 C VAL A 26 -4.124 6.519 6.330 1.00 0.22 C ATOM 414 O VAL A 26 -2.985 6.642 6.773 1.00 0.31 O ATOM 415 CB VAL A 26 -4.751 5.723 4.053 1.00 0.28 C ATOM 416 CG1 VAL A 26 -5.049 6.144 2.634 1.00 0.50 C ATOM 417 CG2 VAL A 26 -3.586 4.744 4.071 1.00 0.40 C ATOM 0 H VAL A 26 -2.454 7.562 4.676 1.00 0.22 H new ATOM 0 HA VAL A 26 -5.346 7.593 4.940 1.00 0.22 H new ATOM 0 HB VAL A 26 -5.620 5.217 4.475 1.00 0.28 H new ATOM 0 HG11 VAL A 26 -5.256 5.262 2.029 1.00 0.50 H new ATOM 0 HG12 VAL A 26 -5.918 6.802 2.625 1.00 0.50 H new ATOM 0 HG13 VAL A 26 -4.189 6.672 2.223 1.00 0.50 H new ATOM 0 HG21 VAL A 26 -3.828 3.880 3.452 1.00 0.40 H new ATOM 0 HG22 VAL A 26 -2.694 5.233 3.679 1.00 0.40 H new ATOM 0 HG23 VAL A 26 -3.401 4.418 5.094 1.00 0.40 H new ATOM 427 N LYS A 27 -5.118 5.993 7.043 1.00 0.24 N ATOM 428 CA LYS A 27 -4.886 5.529 8.407 1.00 0.26 C ATOM 429 C LYS A 27 -5.779 4.347 8.739 1.00 0.29 C ATOM 430 O LYS A 27 -6.778 4.098 8.067 1.00 0.42 O ATOM 431 CB LYS A 27 -5.083 6.661 9.425 1.00 0.38 C ATOM 432 CG LYS A 27 -3.764 7.176 10.011 1.00 0.61 C ATOM 433 CD LYS A 27 -3.370 6.446 11.291 1.00 0.99 C ATOM 434 CE LYS A 27 -2.022 6.932 11.807 1.00 1.52 C ATOM 435 NZ LYS A 27 -0.905 6.202 11.159 1.00 1.89 N ATOM 0 H LYS A 27 -6.074 5.879 6.706 1.00 0.24 H new ATOM 0 HA LYS A 27 -3.848 5.201 8.470 1.00 0.26 H new ATOM 0 HB2 LYS A 27 -5.608 7.487 8.945 1.00 0.38 H new ATOM 0 HB3 LYS A 27 -5.720 6.307 10.235 1.00 0.38 H new ATOM 0 HG2 LYS A 27 -2.972 7.060 9.272 1.00 0.61 H new ATOM 0 HG3 LYS A 27 -3.854 8.243 10.217 1.00 0.61 H new ATOM 0 HD2 LYS A 27 -4.133 6.604 12.053 1.00 0.99 H new ATOM 0 HD3 LYS A 27 -3.325 5.373 11.103 1.00 0.99 H new ATOM 0 HE2 LYS A 27 -1.921 8.000 11.617 1.00 1.52 H new ATOM 0 HE3 LYS A 27 -1.972 6.794 12.887 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.001 6.554 11.530 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 -0.991 5.186 11.362 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 -0.941 6.354 10.131 1.00 1.89 H new ATOM 449 N GLU A 28 -5.408 3.621 9.789 1.00 0.30 N ATOM 450 CA GLU A 28 -6.177 2.459 10.227 1.00 0.34 C ATOM 451 C GLU A 28 -7.624 2.858 10.476 1.00 0.38 C ATOM 452 O GLU A 28 -7.896 3.939 11.005 1.00 0.42 O ATOM 453 CB GLU A 28 -5.574 1.861 11.505 1.00 0.42 C ATOM 454 CG GLU A 28 -4.057 1.851 11.522 1.00 0.35 C ATOM 455 CD GLU A 28 -3.480 0.830 12.488 1.00 1.10 C ATOM 456 OE1 GLU A 28 -3.952 0.762 13.642 1.00 1.23 O ATOM 457 OE2 GLU A 28 -2.552 0.091 12.087 1.00 2.03 O ATOM 0 H GLU A 28 -4.580 3.816 10.353 1.00 0.30 H new ATOM 0 HA GLU A 28 -6.141 1.705 9.441 1.00 0.34 H new ATOM 0 HB2 GLU A 28 -5.934 2.427 12.364 1.00 0.42 H new ATOM 0 HB3 GLU A 28 -5.936 0.840 11.622 1.00 0.42 H new ATOM 0 HG2 GLU A 28 -3.689 1.641 10.518 1.00 0.35 H new ATOM 0 HG3 GLU A 28 -3.696 2.843 11.792 1.00 0.35 H new ATOM 464 N GLY A 29 -8.557 1.995 10.079 1.00 0.39 N ATOM 465 CA GLY A 29 -9.968 2.296 10.267 1.00 0.45 C ATOM 466 C GLY A 29 -10.458 3.431 9.387 1.00 0.40 C ATOM 467 O GLY A 29 -11.600 3.866 9.509 1.00 0.44 O ATOM 0 H GLY A 29 -8.364 1.098 9.633 1.00 0.39 H new ATOM 0 HA2 GLY A 29 -10.555 1.402 10.057 1.00 0.45 H new ATOM 0 HA3 GLY A 29 -10.142 2.553 11.312 1.00 0.45 H new ATOM 471 N ASP A 30 -9.585 3.926 8.515 1.00 0.34 N ATOM 472 CA ASP A 30 -9.919 5.039 7.642 1.00 0.31 C ATOM 473 C ASP A 30 -10.297 4.554 6.261 1.00 0.25 C ATOM 474 O ASP A 30 -9.856 3.493 5.821 1.00 0.24 O ATOM 475 CB ASP A 30 -8.738 5.995 7.543 1.00 0.31 C ATOM 476 CG ASP A 30 -9.170 7.417 7.249 1.00 0.91 C ATOM 477 OD1 ASP A 30 -10.379 7.633 7.024 1.00 1.27 O ATOM 478 OD2 ASP A 30 -8.301 8.312 7.250 1.00 1.36 O ATOM 0 H ASP A 30 -8.637 3.569 8.396 1.00 0.34 H new ATOM 0 HA ASP A 30 -10.776 5.559 8.071 1.00 0.31 H new ATOM 0 HB2 ASP A 30 -8.178 5.974 8.478 1.00 0.31 H new ATOM 0 HB3 ASP A 30 -8.062 5.654 6.759 1.00 0.31 H new ATOM 483 N THR A 31 -11.110 5.345 5.579 1.00 0.23 N ATOM 484 CA THR A 31 -11.549 5.010 4.243 1.00 0.18 C ATOM 485 C THR A 31 -10.786 5.822 3.214 1.00 0.18 C ATOM 486 O THR A 31 -10.420 6.970 3.462 1.00 0.30 O ATOM 487 CB THR A 31 -13.049 5.274 4.073 1.00 0.19 C ATOM 488 OG1 THR A 31 -13.752 4.812 5.224 1.00 0.31 O ATOM 489 CG2 THR A 31 -13.587 4.603 2.813 1.00 0.30 C ATOM 0 H THR A 31 -11.478 6.227 5.935 1.00 0.23 H new ATOM 0 HA THR A 31 -11.355 3.948 4.091 1.00 0.18 H new ATOM 0 HB THR A 31 -13.202 6.348 3.967 1.00 0.19 H new ATOM 0 HG1 THR A 31 -14.710 4.984 5.113 1.00 0.31 H new ATOM 0 HG21 THR A 31 -14.653 4.808 2.719 1.00 0.30 H new ATOM 0 HG22 THR A 31 -13.064 4.995 1.941 1.00 0.30 H new ATOM 0 HG23 THR A 31 -13.429 3.527 2.878 1.00 0.30 H new ATOM 497 N VAL A 32 -10.548 5.217 2.062 1.00 0.14 N ATOM 498 CA VAL A 32 -9.823 5.878 0.985 1.00 0.14 C ATOM 499 C VAL A 32 -10.760 6.293 -0.138 1.00 0.14 C ATOM 500 O VAL A 32 -11.906 5.849 -0.193 1.00 0.18 O ATOM 501 CB VAL A 32 -8.701 4.992 0.392 1.00 0.20 C ATOM 502 CG1 VAL A 32 -7.352 5.561 0.795 1.00 0.28 C ATOM 503 CG2 VAL A 32 -8.819 3.530 0.828 1.00 0.18 C ATOM 0 H VAL A 32 -10.847 4.266 1.846 1.00 0.14 H new ATOM 0 HA VAL A 32 -9.367 6.761 1.433 1.00 0.14 H new ATOM 0 HB VAL A 32 -8.801 5.002 -0.693 1.00 0.20 H new ATOM 0 HG11 VAL A 32 -6.557 4.941 0.380 1.00 0.28 H new ATOM 0 HG12 VAL A 32 -7.257 6.577 0.412 1.00 0.28 H new ATOM 0 HG13 VAL A 32 -7.272 5.574 1.882 1.00 0.28 H new ATOM 0 HG21 VAL A 32 -8.008 2.952 0.385 1.00 0.18 H new ATOM 0 HG22 VAL A 32 -8.757 3.468 1.914 1.00 0.18 H new ATOM 0 HG23 VAL A 32 -9.776 3.127 0.496 1.00 0.18 H new ATOM 513 N SER A 33 -10.264 7.146 -1.033 1.00 0.23 N ATOM 514 CA SER A 33 -11.057 7.629 -2.165 1.00 0.31 C ATOM 515 C SER A 33 -10.205 7.640 -3.444 1.00 0.33 C ATOM 516 O SER A 33 -8.989 7.491 -3.377 1.00 0.35 O ATOM 517 CB SER A 33 -11.575 9.041 -1.868 1.00 0.38 C ATOM 518 OG SER A 33 -12.764 9.329 -2.584 1.00 1.42 O ATOM 0 H SER A 33 -9.315 7.518 -0.997 1.00 0.23 H new ATOM 0 HA SER A 33 -11.904 6.960 -2.316 1.00 0.31 H new ATOM 0 HB2 SER A 33 -11.762 9.142 -0.799 1.00 0.38 H new ATOM 0 HB3 SER A 33 -10.809 9.771 -2.128 1.00 0.38 H new ATOM 0 HG SER A 33 -13.065 10.236 -2.368 1.00 1.42 H new ATOM 524 N GLN A 34 -10.845 7.815 -4.606 1.00 0.37 N ATOM 525 CA GLN A 34 -10.126 7.841 -5.886 1.00 0.41 C ATOM 526 C GLN A 34 -9.067 8.952 -5.939 1.00 0.43 C ATOM 527 O GLN A 34 -8.157 8.919 -6.771 1.00 0.52 O ATOM 528 CB GLN A 34 -11.103 7.999 -7.049 1.00 0.44 C ATOM 529 CG GLN A 34 -10.464 7.710 -8.401 1.00 0.76 C ATOM 530 CD GLN A 34 -10.486 8.898 -9.348 1.00 1.54 C ATOM 531 OE1 GLN A 34 -9.691 9.832 -9.214 1.00 2.38 O ATOM 532 NE2 GLN A 34 -11.387 8.859 -10.328 1.00 1.72 N ATOM 0 H GLN A 34 -11.854 7.940 -4.687 1.00 0.37 H new ATOM 0 HA GLN A 34 -9.607 6.887 -5.975 1.00 0.41 H new ATOM 0 HB2 GLN A 34 -11.948 7.327 -6.901 1.00 0.44 H new ATOM 0 HB3 GLN A 34 -11.499 9.014 -7.049 1.00 0.44 H new ATOM 0 HG2 GLN A 34 -9.431 7.398 -8.247 1.00 0.76 H new ATOM 0 HG3 GLN A 34 -10.984 6.873 -8.868 1.00 0.76 H new ATOM 0 HE21 GLN A 34 -12.026 8.067 -10.402 1.00 1.72 H new ATOM 0 HE22 GLN A 34 -11.438 9.621 -11.004 1.00 1.72 H new ATOM 541 N PHE A 35 -9.183 9.926 -5.049 1.00 0.43 N ATOM 542 CA PHE A 35 -8.232 11.032 -4.998 1.00 0.48 C ATOM 543 C PHE A 35 -7.237 10.864 -3.843 1.00 0.43 C ATOM 544 O PHE A 35 -6.156 11.461 -3.850 1.00 0.47 O ATOM 545 CB PHE A 35 -8.970 12.371 -4.873 1.00 0.58 C ATOM 546 CG PHE A 35 -9.306 12.960 -6.209 1.00 0.99 C ATOM 547 CD1 PHE A 35 -9.828 12.158 -7.211 1.00 1.86 C ATOM 548 CD2 PHE A 35 -9.091 14.303 -6.470 1.00 1.12 C ATOM 549 CE1 PHE A 35 -10.137 12.686 -8.449 1.00 2.52 C ATOM 550 CE2 PHE A 35 -9.398 14.837 -7.711 1.00 1.64 C ATOM 551 CZ PHE A 35 -9.919 14.028 -8.701 1.00 2.31 C ATOM 0 H PHE A 35 -9.925 9.975 -4.351 1.00 0.43 H new ATOM 0 HA PHE A 35 -7.668 11.026 -5.931 1.00 0.48 H new ATOM 0 HB2 PHE A 35 -9.886 12.227 -4.301 1.00 0.58 H new ATOM 0 HB3 PHE A 35 -8.352 13.073 -4.313 1.00 0.58 H new ATOM 0 HD1 PHE A 35 -9.995 11.108 -7.022 1.00 1.86 H new ATOM 0 HD2 PHE A 35 -8.681 14.939 -5.700 1.00 1.12 H new ATOM 0 HE1 PHE A 35 -10.549 12.051 -9.220 1.00 2.52 H new ATOM 0 HE2 PHE A 35 -9.230 15.886 -7.904 1.00 1.64 H new ATOM 0 HZ PHE A 35 -10.156 14.442 -9.670 1.00 2.31 H new ATOM 561 N ASP A 36 -7.611 10.054 -2.854 1.00 0.36 N ATOM 562 CA ASP A 36 -6.757 9.813 -1.693 1.00 0.34 C ATOM 563 C ASP A 36 -6.030 8.471 -1.812 1.00 0.25 C ATOM 564 O ASP A 36 -6.632 7.411 -1.640 1.00 0.21 O ATOM 565 CB ASP A 36 -7.594 9.861 -0.408 1.00 0.41 C ATOM 566 CG ASP A 36 -7.725 11.273 0.130 1.00 0.76 C ATOM 567 OD1 ASP A 36 -8.107 12.173 -0.647 1.00 1.69 O ATOM 568 OD2 ASP A 36 -7.432 11.480 1.328 1.00 0.84 O ATOM 0 H ASP A 36 -8.500 9.554 -2.834 1.00 0.36 H new ATOM 0 HA ASP A 36 -6.002 10.598 -1.653 1.00 0.34 H new ATOM 0 HB2 ASP A 36 -8.586 9.454 -0.606 1.00 0.41 H new ATOM 0 HB3 ASP A 36 -7.134 9.226 0.349 1.00 0.41 H new ATOM 573 N SER A 37 -4.731 8.535 -2.114 1.00 0.26 N ATOM 574 CA SER A 37 -3.902 7.338 -2.269 1.00 0.21 C ATOM 575 C SER A 37 -3.574 6.713 -0.920 1.00 0.23 C ATOM 576 O SER A 37 -3.650 7.376 0.108 1.00 0.28 O ATOM 577 CB SER A 37 -2.598 7.680 -2.997 1.00 0.25 C ATOM 578 OG SER A 37 -2.330 9.071 -2.953 1.00 0.94 O ATOM 0 H SER A 37 -4.228 9.411 -2.257 1.00 0.26 H new ATOM 0 HA SER A 37 -4.472 6.620 -2.858 1.00 0.21 H new ATOM 0 HB2 SER A 37 -1.772 7.134 -2.542 1.00 0.25 H new ATOM 0 HB3 SER A 37 -2.663 7.353 -4.035 1.00 0.25 H new ATOM 0 HG SER A 37 -1.363 9.220 -3.009 1.00 0.94 H new ATOM 584 N ILE A 38 -3.201 5.431 -0.924 1.00 0.22 N ATOM 585 CA ILE A 38 -2.864 4.738 0.314 1.00 0.27 C ATOM 586 C ILE A 38 -1.396 4.927 0.674 1.00 0.27 C ATOM 587 O ILE A 38 -1.060 5.750 1.529 1.00 0.27 O ATOM 588 CB ILE A 38 -3.210 3.232 0.231 1.00 0.32 C ATOM 589 CG1 ILE A 38 -4.701 3.085 -0.104 1.00 0.36 C ATOM 590 CG2 ILE A 38 -2.857 2.525 1.536 1.00 0.34 C ATOM 591 CD1 ILE A 38 -5.306 1.728 0.202 1.00 0.47 C ATOM 0 H ILE A 38 -3.126 4.859 -1.765 1.00 0.22 H new ATOM 0 HA ILE A 38 -3.468 5.182 1.105 1.00 0.27 H new ATOM 0 HB ILE A 38 -2.622 2.760 -0.556 1.00 0.32 H new ATOM 0 HG12 ILE A 38 -5.256 3.844 0.447 1.00 0.36 H new ATOM 0 HG13 ILE A 38 -4.840 3.295 -1.164 1.00 0.36 H new ATOM 0 HG21 ILE A 38 -3.108 1.467 1.456 1.00 0.34 H new ATOM 0 HG22 ILE A 38 -1.790 2.631 1.730 1.00 0.34 H new ATOM 0 HG23 ILE A 38 -3.421 2.971 2.355 1.00 0.34 H new ATOM 0 HD11 ILE A 38 -6.361 1.730 -0.071 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -4.785 0.960 -0.369 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -5.207 1.517 1.267 1.00 0.47 H new ATOM 603 N CYS A 39 -0.526 4.164 0.022 1.00 0.32 N ATOM 604 CA CYS A 39 0.901 4.245 0.282 1.00 0.34 C ATOM 605 C CYS A 39 1.680 4.566 -0.987 1.00 0.40 C ATOM 606 O CYS A 39 1.408 4.008 -2.047 1.00 0.55 O ATOM 607 CB CYS A 39 1.404 2.922 0.861 1.00 0.40 C ATOM 608 SG CYS A 39 3.160 2.921 1.273 1.00 1.29 S ATOM 0 H CYS A 39 -0.787 3.483 -0.691 1.00 0.32 H new ATOM 0 HA CYS A 39 1.062 5.050 1.000 1.00 0.34 H new ATOM 0 HB2 CYS A 39 0.831 2.689 1.758 1.00 0.40 H new ATOM 0 HB3 CYS A 39 1.210 2.126 0.143 1.00 0.40 H new ATOM 0 HG CYS A 39 3.305 2.741 2.552 1.00 1.29 H new ATOM 614 N GLU A 40 2.670 5.450 -0.857 1.00 0.36 N ATOM 615 CA GLU A 40 3.517 5.824 -1.980 1.00 0.44 C ATOM 616 C GLU A 40 4.984 5.729 -1.578 1.00 0.48 C ATOM 617 O GLU A 40 5.417 6.345 -0.607 1.00 0.50 O ATOM 618 CB GLU A 40 3.192 7.242 -2.465 1.00 0.57 C ATOM 619 CG GLU A 40 1.704 7.530 -2.533 1.00 1.15 C ATOM 620 CD GLU A 40 1.405 8.941 -2.968 1.00 1.65 C ATOM 621 OE1 GLU A 40 2.258 9.545 -3.649 1.00 1.74 O ATOM 622 OE2 GLU A 40 0.317 9.444 -2.625 1.00 2.37 O ATOM 0 H GLU A 40 2.902 5.919 0.019 1.00 0.36 H new ATOM 0 HA GLU A 40 3.324 5.133 -2.801 1.00 0.44 H new ATOM 0 HB2 GLU A 40 3.664 7.963 -1.798 1.00 0.57 H new ATOM 0 HB3 GLU A 40 3.628 7.389 -3.453 1.00 0.57 H new ATOM 0 HG2 GLU A 40 1.234 6.833 -3.227 1.00 1.15 H new ATOM 0 HG3 GLU A 40 1.259 7.354 -1.554 1.00 1.15 H new ATOM 629 N VAL A 41 5.743 4.949 -2.339 1.00 0.55 N ATOM 630 CA VAL A 41 7.161 4.773 -2.070 1.00 0.64 C ATOM 631 C VAL A 41 7.991 5.238 -3.252 1.00 0.92 C ATOM 632 O VAL A 41 7.601 5.069 -4.403 1.00 1.08 O ATOM 633 CB VAL A 41 7.516 3.304 -1.756 1.00 0.65 C ATOM 634 CG1 VAL A 41 6.745 2.805 -0.544 1.00 1.35 C ATOM 635 CG2 VAL A 41 7.259 2.428 -2.971 1.00 1.32 C ATOM 0 H VAL A 41 5.398 4.430 -3.146 1.00 0.55 H new ATOM 0 HA VAL A 41 7.390 5.378 -1.192 1.00 0.64 H new ATOM 0 HB VAL A 41 8.578 3.249 -1.515 1.00 0.65 H new ATOM 0 HG11 VAL A 41 7.013 1.768 -0.344 1.00 1.35 H new ATOM 0 HG12 VAL A 41 6.993 3.418 0.323 1.00 1.35 H new ATOM 0 HG13 VAL A 41 5.675 2.872 -0.741 1.00 1.35 H new ATOM 0 HG21 VAL A 41 7.514 1.395 -2.735 1.00 1.32 H new ATOM 0 HG22 VAL A 41 6.206 2.488 -3.247 1.00 1.32 H new ATOM 0 HG23 VAL A 41 7.872 2.772 -3.804 1.00 1.32 H new ATOM 645 N GLN A 42 9.137 5.825 -2.956 1.00 1.03 N ATOM 646 CA GLN A 42 10.023 6.316 -3.994 1.00 1.34 C ATOM 647 C GLN A 42 11.433 5.754 -3.829 1.00 1.39 C ATOM 648 O GLN A 42 12.001 5.778 -2.736 1.00 1.38 O ATOM 649 CB GLN A 42 10.055 7.843 -3.976 1.00 1.58 C ATOM 650 CG GLN A 42 9.101 8.467 -4.973 1.00 1.80 C ATOM 651 CD GLN A 42 8.547 9.794 -4.505 1.00 2.17 C ATOM 652 OE1 GLN A 42 9.208 10.543 -3.787 1.00 2.33 O ATOM 653 NE2 GLN A 42 7.323 10.092 -4.917 1.00 2.60 N ATOM 0 H GLN A 42 9.475 5.973 -2.005 1.00 1.03 H new ATOM 0 HA GLN A 42 9.639 5.978 -4.957 1.00 1.34 H new ATOM 0 HB2 GLN A 42 9.806 8.194 -2.975 1.00 1.58 H new ATOM 0 HB3 GLN A 42 11.069 8.182 -4.190 1.00 1.58 H new ATOM 0 HG2 GLN A 42 9.617 8.609 -5.923 1.00 1.80 H new ATOM 0 HG3 GLN A 42 8.276 7.779 -5.158 1.00 1.80 H new ATOM 0 HE21 GLN A 42 6.812 9.440 -5.512 1.00 2.60 H new ATOM 0 HE22 GLN A 42 6.892 10.974 -4.639 1.00 2.60 H new ATOM 662 N SER A 43 11.992 5.254 -4.926 1.00 1.55 N ATOM 663 CA SER A 43 13.335 4.697 -4.907 1.00 1.64 C ATOM 664 C SER A 43 14.248 5.489 -5.827 1.00 2.05 C ATOM 665 O SER A 43 13.798 6.093 -6.801 1.00 2.29 O ATOM 666 CB SER A 43 13.310 3.233 -5.328 1.00 1.43 C ATOM 667 OG SER A 43 13.521 2.379 -4.217 1.00 1.73 O ATOM 0 H SER A 43 11.535 5.224 -5.837 1.00 1.55 H new ATOM 0 HA SER A 43 13.720 4.761 -3.889 1.00 1.64 H new ATOM 0 HB2 SER A 43 12.351 3.001 -5.792 1.00 1.43 H new ATOM 0 HB3 SER A 43 14.079 3.054 -6.079 1.00 1.43 H new ATOM 0 HG SER A 43 13.499 1.445 -4.513 1.00 1.73 H new ATOM 673 N ASP A 44 15.532 5.491 -5.503 1.00 2.23 N ATOM 674 CA ASP A 44 16.510 6.219 -6.294 1.00 2.66 C ATOM 675 C ASP A 44 16.489 5.778 -7.756 1.00 2.80 C ATOM 676 O ASP A 44 16.929 6.518 -8.636 1.00 3.14 O ATOM 677 CB ASP A 44 17.907 6.034 -5.708 1.00 2.85 C ATOM 678 CG ASP A 44 18.366 4.588 -5.734 1.00 3.67 C ATOM 679 OD1 ASP A 44 17.732 3.755 -5.048 1.00 4.39 O ATOM 680 OD2 ASP A 44 19.359 4.289 -6.427 1.00 3.89 O ATOM 0 H ASP A 44 15.920 4.997 -4.699 1.00 2.23 H new ATOM 0 HA ASP A 44 16.245 7.276 -6.260 1.00 2.66 H new ATOM 0 HB2 ASP A 44 18.615 6.646 -6.267 1.00 2.85 H new ATOM 0 HB3 ASP A 44 17.916 6.395 -4.680 1.00 2.85 H new ATOM 685 N LYS A 45 15.992 4.573 -8.012 1.00 2.69 N ATOM 686 CA LYS A 45 15.941 4.051 -9.374 1.00 2.92 C ATOM 687 C LYS A 45 14.549 4.192 -9.998 1.00 3.03 C ATOM 688 O LYS A 45 14.418 4.575 -11.164 1.00 3.65 O ATOM 689 CB LYS A 45 16.370 2.583 -9.376 1.00 2.89 C ATOM 690 CG LYS A 45 15.441 1.685 -8.577 1.00 2.98 C ATOM 691 CD LYS A 45 16.139 0.422 -8.099 1.00 3.17 C ATOM 692 CE LYS A 45 15.150 -0.724 -7.919 1.00 3.22 C ATOM 693 NZ LYS A 45 15.686 -2.014 -8.447 1.00 3.62 N ATOM 0 H LYS A 45 15.621 3.943 -7.301 1.00 2.69 H new ATOM 0 HA LYS A 45 16.627 4.641 -9.981 1.00 2.92 H new ATOM 0 HB2 LYS A 45 16.414 2.226 -10.405 1.00 2.89 H new ATOM 0 HB3 LYS A 45 17.378 2.506 -8.969 1.00 2.89 H new ATOM 0 HG2 LYS A 45 15.057 2.234 -7.717 1.00 2.98 H new ATOM 0 HG3 LYS A 45 14.582 1.414 -9.191 1.00 2.98 H new ATOM 0 HD2 LYS A 45 16.906 0.134 -8.818 1.00 3.17 H new ATOM 0 HD3 LYS A 45 16.646 0.619 -7.154 1.00 3.17 H new ATOM 0 HE2 LYS A 45 14.913 -0.836 -6.861 1.00 3.22 H new ATOM 0 HE3 LYS A 45 14.218 -0.482 -8.430 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 14.982 -2.766 -8.305 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 15.888 -1.916 -9.463 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 16.562 -2.259 -7.942 1.00 3.62 H new ATOM 707 N ALA A 46 13.513 3.872 -9.230 1.00 2.58 N ATOM 708 CA ALA A 46 12.145 3.959 -9.724 1.00 2.82 C ATOM 709 C ALA A 46 11.191 4.434 -8.630 1.00 2.68 C ATOM 710 O ALA A 46 11.318 4.052 -7.465 1.00 2.63 O ATOM 711 CB ALA A 46 11.700 2.614 -10.294 1.00 2.83 C ATOM 0 H ALA A 46 13.595 3.551 -8.265 1.00 2.58 H new ATOM 0 HA ALA A 46 12.118 4.698 -10.525 1.00 2.82 H new ATOM 0 HB1 ALA A 46 10.676 2.694 -10.659 1.00 2.83 H new ATOM 0 HB2 ALA A 46 12.357 2.332 -11.116 1.00 2.83 H new ATOM 0 HB3 ALA A 46 11.748 1.854 -9.514 1.00 2.83 H new ATOM 717 N SER A 47 10.239 5.272 -9.022 1.00 2.96 N ATOM 718 CA SER A 47 9.251 5.810 -8.098 1.00 2.92 C ATOM 719 C SER A 47 7.935 5.046 -8.232 1.00 2.26 C ATOM 720 O SER A 47 7.505 4.722 -9.340 1.00 2.31 O ATOM 721 CB SER A 47 9.012 7.287 -8.392 1.00 3.72 C ATOM 722 OG SER A 47 10.183 7.898 -8.910 1.00 4.52 O ATOM 0 H SER A 47 10.131 5.596 -9.983 1.00 2.96 H new ATOM 0 HA SER A 47 9.628 5.700 -7.081 1.00 2.92 H new ATOM 0 HB2 SER A 47 8.196 7.392 -9.107 1.00 3.72 H new ATOM 0 HB3 SER A 47 8.704 7.798 -7.480 1.00 3.72 H new ATOM 0 HG SER A 47 10.005 8.844 -9.092 1.00 4.52 H new ATOM 728 N VAL A 48 7.301 4.757 -7.103 1.00 2.12 N ATOM 729 CA VAL A 48 6.036 4.028 -7.098 1.00 1.80 C ATOM 730 C VAL A 48 4.982 4.733 -6.265 1.00 1.55 C ATOM 731 O VAL A 48 5.277 5.351 -5.238 1.00 1.97 O ATOM 732 CB VAL A 48 6.204 2.592 -6.561 1.00 2.53 C ATOM 733 CG1 VAL A 48 5.087 1.696 -7.073 1.00 2.98 C ATOM 734 CG2 VAL A 48 7.571 2.025 -6.935 1.00 3.50 C ATOM 0 H VAL A 48 7.641 5.016 -6.177 1.00 2.12 H new ATOM 0 HA VAL A 48 5.710 3.990 -8.137 1.00 1.80 H new ATOM 0 HB VAL A 48 6.143 2.627 -5.473 1.00 2.53 H new ATOM 0 HG11 VAL A 48 5.223 0.687 -6.684 1.00 2.98 H new ATOM 0 HG12 VAL A 48 4.125 2.087 -6.741 1.00 2.98 H new ATOM 0 HG13 VAL A 48 5.111 1.671 -8.162 1.00 2.98 H new ATOM 0 HG21 VAL A 48 7.664 1.012 -6.544 1.00 3.50 H new ATOM 0 HG22 VAL A 48 7.673 2.006 -8.020 1.00 3.50 H new ATOM 0 HG23 VAL A 48 8.354 2.652 -6.508 1.00 3.50 H new ATOM 744 N THR A 49 3.740 4.618 -6.716 1.00 1.13 N ATOM 745 CA THR A 49 2.610 5.219 -6.027 1.00 0.98 C ATOM 746 C THR A 49 1.422 4.268 -6.039 1.00 0.69 C ATOM 747 O THR A 49 1.055 3.739 -7.085 1.00 0.71 O ATOM 748 CB THR A 49 2.196 6.555 -6.668 1.00 1.22 C ATOM 749 OG1 THR A 49 1.596 6.330 -7.954 1.00 1.28 O ATOM 750 CG2 THR A 49 3.404 7.468 -6.822 1.00 1.46 C ATOM 0 H THR A 49 3.490 4.109 -7.564 1.00 1.13 H new ATOM 0 HA THR A 49 2.921 5.413 -5.001 1.00 0.98 H new ATOM 0 HB THR A 49 1.468 7.035 -6.014 1.00 1.22 H new ATOM 0 HG1 THR A 49 1.333 5.389 -8.032 1.00 1.28 H new ATOM 0 HG21 THR A 49 3.094 8.409 -7.277 1.00 1.46 H new ATOM 0 HG22 THR A 49 3.839 7.665 -5.842 1.00 1.46 H new ATOM 0 HG23 THR A 49 4.146 6.985 -7.458 1.00 1.46 H new ATOM 758 N ILE A 50 0.823 4.049 -4.876 1.00 0.66 N ATOM 759 CA ILE A 50 -0.320 3.153 -4.779 1.00 0.49 C ATOM 760 C ILE A 50 -1.636 3.926 -4.804 1.00 0.37 C ATOM 761 O ILE A 50 -1.991 4.615 -3.843 1.00 0.36 O ATOM 762 CB ILE A 50 -0.270 2.295 -3.499 1.00 0.66 C ATOM 763 CG1 ILE A 50 1.065 1.549 -3.412 1.00 0.95 C ATOM 764 CG2 ILE A 50 -1.431 1.309 -3.468 1.00 0.78 C ATOM 765 CD1 ILE A 50 1.208 0.457 -4.449 1.00 1.01 C ATOM 0 H ILE A 50 1.107 4.476 -3.994 1.00 0.66 H new ATOM 0 HA ILE A 50 -0.268 2.496 -5.647 1.00 0.49 H new ATOM 0 HB ILE A 50 -0.358 2.956 -2.637 1.00 0.66 H new ATOM 0 HG12 ILE A 50 1.881 2.262 -3.531 1.00 0.95 H new ATOM 0 HG13 ILE A 50 1.165 1.112 -2.418 1.00 0.95 H new ATOM 0 HG21 ILE A 50 -1.378 0.713 -2.557 1.00 0.78 H new ATOM 0 HG22 ILE A 50 -2.374 1.856 -3.489 1.00 0.78 H new ATOM 0 HG23 ILE A 50 -1.373 0.652 -4.336 1.00 0.78 H new ATOM 0 HD11 ILE A 50 2.175 -0.031 -4.332 1.00 1.01 H new ATOM 0 HD12 ILE A 50 0.413 -0.277 -4.317 1.00 1.01 H new ATOM 0 HD13 ILE A 50 1.139 0.891 -5.446 1.00 1.01 H new ATOM 777 N THR A 51 -2.357 3.794 -5.914 1.00 0.41 N ATOM 778 CA THR A 51 -3.647 4.457 -6.081 1.00 0.44 C ATOM 779 C THR A 51 -4.776 3.523 -5.670 1.00 0.40 C ATOM 780 O THR A 51 -4.556 2.344 -5.387 1.00 0.50 O ATOM 781 CB THR A 51 -3.885 4.921 -7.544 1.00 0.56 C ATOM 782 OG1 THR A 51 -2.693 4.735 -8.332 1.00 0.79 O ATOM 783 CG2 THR A 51 -4.310 6.394 -7.581 1.00 1.04 C ATOM 0 H THR A 51 -2.068 3.231 -6.714 1.00 0.41 H new ATOM 0 HA THR A 51 -3.634 5.339 -5.441 1.00 0.44 H new ATOM 0 HB THR A 51 -4.686 4.314 -7.966 1.00 0.56 H new ATOM 0 HG1 THR A 51 -2.859 5.030 -9.252 1.00 0.79 H new ATOM 0 HG21 THR A 51 -4.472 6.700 -8.615 1.00 1.04 H new ATOM 0 HG22 THR A 51 -5.234 6.521 -7.016 1.00 1.04 H new ATOM 0 HG23 THR A 51 -3.527 7.010 -7.139 1.00 1.04 H new ATOM 791 N SER A 52 -5.981 4.060 -5.633 1.00 0.49 N ATOM 792 CA SER A 52 -7.159 3.287 -5.255 1.00 0.56 C ATOM 793 C SER A 52 -8.117 3.138 -6.428 1.00 0.56 C ATOM 794 O SER A 52 -8.621 2.049 -6.685 1.00 0.66 O ATOM 795 CB SER A 52 -7.880 3.969 -4.094 1.00 0.63 C ATOM 796 OG SER A 52 -8.013 3.093 -2.991 1.00 1.36 O ATOM 0 H SER A 52 -6.175 5.035 -5.861 1.00 0.49 H new ATOM 0 HA SER A 52 -6.827 2.295 -4.950 1.00 0.56 H new ATOM 0 HB2 SER A 52 -7.328 4.858 -3.791 1.00 0.63 H new ATOM 0 HB3 SER A 52 -8.866 4.301 -4.419 1.00 0.63 H new ATOM 0 HG SER A 52 -8.955 3.041 -2.727 1.00 1.36 H new ATOM 802 N ARG A 53 -8.381 4.245 -7.125 1.00 0.54 N ATOM 803 CA ARG A 53 -9.308 4.237 -8.260 1.00 0.63 C ATOM 804 C ARG A 53 -10.748 3.994 -7.784 1.00 0.58 C ATOM 805 O ARG A 53 -11.642 3.717 -8.584 1.00 0.68 O ATOM 806 CB ARG A 53 -8.880 3.176 -9.299 1.00 0.83 C ATOM 807 CG ARG A 53 -9.558 1.805 -9.168 1.00 1.39 C ATOM 808 CD ARG A 53 -10.562 1.562 -10.279 1.00 2.19 C ATOM 809 NE ARG A 53 -11.494 0.487 -9.942 1.00 2.73 N ATOM 810 CZ ARG A 53 -12.315 -0.082 -10.822 1.00 3.54 C ATOM 811 NH1 ARG A 53 -12.327 0.337 -12.079 1.00 4.04 N ATOM 812 NH2 ARG A 53 -13.134 -1.061 -10.448 1.00 4.23 N ATOM 0 H ARG A 53 -7.968 5.156 -6.925 1.00 0.54 H new ATOM 0 HA ARG A 53 -9.275 5.215 -8.740 1.00 0.63 H new ATOM 0 HB2 ARG A 53 -9.083 3.568 -10.296 1.00 0.83 H new ATOM 0 HB3 ARG A 53 -7.802 3.036 -9.225 1.00 0.83 H new ATOM 0 HG2 ARG A 53 -8.800 1.022 -9.186 1.00 1.39 H new ATOM 0 HG3 ARG A 53 -10.061 1.739 -8.203 1.00 1.39 H new ATOM 0 HD2 ARG A 53 -11.119 2.479 -10.473 1.00 2.19 H new ATOM 0 HD3 ARG A 53 -10.033 1.310 -11.198 1.00 2.19 H new ATOM 0 HE ARG A 53 -11.516 0.154 -8.978 1.00 2.73 H new ATOM 0 HH11 ARG A 53 -11.708 1.094 -12.370 1.00 4.04 H new ATOM 0 HH12 ARG A 53 -12.955 -0.097 -12.755 1.00 4.04 H new ATOM 0 HH21 ARG A 53 -13.137 -1.382 -9.480 1.00 4.23 H new ATOM 0 HH22 ARG A 53 -13.760 -1.491 -11.129 1.00 4.23 H new ATOM 826 N TYR A 54 -10.949 4.070 -6.478 1.00 0.45 N ATOM 827 CA TYR A 54 -12.242 3.840 -5.875 1.00 0.41 C ATOM 828 C TYR A 54 -12.137 4.115 -4.388 1.00 0.31 C ATOM 829 O TYR A 54 -11.043 4.326 -3.869 1.00 0.28 O ATOM 830 CB TYR A 54 -12.698 2.397 -6.099 1.00 0.50 C ATOM 831 CG TYR A 54 -13.994 2.288 -6.860 1.00 1.15 C ATOM 832 CD1 TYR A 54 -15.022 3.185 -6.634 1.00 1.89 C ATOM 833 CD2 TYR A 54 -14.192 1.286 -7.803 1.00 1.77 C ATOM 834 CE1 TYR A 54 -16.211 3.105 -7.328 1.00 2.72 C ATOM 835 CE2 TYR A 54 -15.382 1.198 -8.507 1.00 2.59 C ATOM 836 CZ TYR A 54 -16.389 2.106 -8.261 1.00 2.95 C ATOM 837 OH TYR A 54 -17.577 2.029 -8.959 1.00 3.88 O ATOM 0 H TYR A 54 -10.213 4.294 -5.808 1.00 0.45 H new ATOM 0 HA TYR A 54 -12.975 4.503 -6.334 1.00 0.41 H new ATOM 0 HB2 TYR A 54 -11.921 1.859 -6.642 1.00 0.50 H new ATOM 0 HB3 TYR A 54 -12.811 1.906 -5.133 1.00 0.50 H new ATOM 0 HD1 TYR A 54 -14.891 3.965 -5.898 1.00 1.89 H new ATOM 0 HD2 TYR A 54 -13.408 0.567 -7.989 1.00 1.77 H new ATOM 0 HE1 TYR A 54 -16.998 3.821 -7.142 1.00 2.72 H new ATOM 0 HE2 TYR A 54 -15.520 0.422 -9.245 1.00 2.59 H new ATOM 0 HH TYR A 54 -17.544 1.271 -9.579 1.00 3.88 H new ATOM 847 N ASP A 55 -13.258 4.097 -3.694 1.00 0.30 N ATOM 848 CA ASP A 55 -13.235 4.332 -2.266 1.00 0.24 C ATOM 849 C ASP A 55 -13.268 3.010 -1.513 1.00 0.23 C ATOM 850 O ASP A 55 -14.157 2.186 -1.723 1.00 0.28 O ATOM 851 CB ASP A 55 -14.401 5.215 -1.840 1.00 0.28 C ATOM 852 CG ASP A 55 -15.691 4.863 -2.551 1.00 1.01 C ATOM 853 OD1 ASP A 55 -16.239 3.776 -2.278 1.00 1.33 O ATOM 854 OD2 ASP A 55 -16.152 5.676 -3.381 1.00 1.52 O ATOM 0 H ASP A 55 -14.182 3.925 -4.089 1.00 0.30 H new ATOM 0 HA ASP A 55 -12.309 4.853 -2.021 1.00 0.24 H new ATOM 0 HB2 ASP A 55 -14.547 5.122 -0.764 1.00 0.28 H new ATOM 0 HB3 ASP A 55 -14.154 6.258 -2.040 1.00 0.28 H new ATOM 859 N GLY A 56 -12.287 2.810 -0.647 1.00 0.18 N ATOM 860 CA GLY A 56 -12.206 1.575 0.110 1.00 0.18 C ATOM 861 C GLY A 56 -11.974 1.816 1.576 1.00 0.15 C ATOM 862 O GLY A 56 -11.639 2.925 1.985 1.00 0.15 O ATOM 0 H GLY A 56 -11.543 3.481 -0.453 1.00 0.18 H new ATOM 0 HA2 GLY A 56 -13.129 1.010 -0.021 1.00 0.18 H new ATOM 0 HA3 GLY A 56 -11.398 0.961 -0.287 1.00 0.18 H new ATOM 866 N VAL A 57 -12.163 0.783 2.378 1.00 0.18 N ATOM 867 CA VAL A 57 -11.981 0.908 3.812 1.00 0.21 C ATOM 868 C VAL A 57 -10.669 0.278 4.281 1.00 0.22 C ATOM 869 O VAL A 57 -10.448 -0.918 4.094 1.00 0.26 O ATOM 870 CB VAL A 57 -13.146 0.258 4.566 1.00 0.30 C ATOM 871 CG1 VAL A 57 -12.998 0.505 6.052 1.00 1.06 C ATOM 872 CG2 VAL A 57 -14.478 0.799 4.046 1.00 1.11 C ATOM 0 H VAL A 57 -12.441 -0.146 2.062 1.00 0.18 H new ATOM 0 HA VAL A 57 -11.949 1.975 4.031 1.00 0.21 H new ATOM 0 HB VAL A 57 -13.131 -0.818 4.395 1.00 0.30 H new ATOM 0 HG11 VAL A 57 -13.829 0.041 6.583 1.00 1.06 H new ATOM 0 HG12 VAL A 57 -12.059 0.075 6.401 1.00 1.06 H new ATOM 0 HG13 VAL A 57 -12.999 1.578 6.244 1.00 1.06 H new ATOM 0 HG21 VAL A 57 -15.298 0.330 4.589 1.00 1.11 H new ATOM 0 HG22 VAL A 57 -14.515 1.878 4.194 1.00 1.11 H new ATOM 0 HG23 VAL A 57 -14.572 0.575 2.983 1.00 1.11 H new ATOM 882 N ILE A 58 -9.819 1.095 4.913 1.00 0.21 N ATOM 883 CA ILE A 58 -8.536 0.634 5.444 1.00 0.24 C ATOM 884 C ILE A 58 -8.671 0.392 6.950 1.00 0.33 C ATOM 885 O ILE A 58 -9.180 1.254 7.679 1.00 0.38 O ATOM 886 CB ILE A 58 -7.418 1.659 5.158 1.00 0.19 C ATOM 887 CG1 ILE A 58 -7.441 2.059 3.684 1.00 0.20 C ATOM 888 CG2 ILE A 58 -6.053 1.083 5.510 1.00 0.23 C ATOM 889 CD1 ILE A 58 -6.673 3.327 3.386 1.00 0.17 C ATOM 0 H ILE A 58 -10.001 2.086 5.069 1.00 0.21 H new ATOM 0 HA ILE A 58 -8.263 -0.298 4.950 1.00 0.24 H new ATOM 0 HB ILE A 58 -7.595 2.539 5.776 1.00 0.19 H new ATOM 0 HG12 ILE A 58 -7.026 1.245 3.089 1.00 0.20 H new ATOM 0 HG13 ILE A 58 -8.476 2.189 3.368 1.00 0.20 H new ATOM 0 HG21 ILE A 58 -5.281 1.823 5.300 1.00 0.23 H new ATOM 0 HG22 ILE A 58 -6.029 0.824 6.569 1.00 0.23 H new ATOM 0 HG23 ILE A 58 -5.871 0.189 4.914 1.00 0.23 H new ATOM 0 HD11 ILE A 58 -6.734 3.548 2.320 1.00 0.17 H new ATOM 0 HD12 ILE A 58 -7.101 4.154 3.953 1.00 0.17 H new ATOM 0 HD13 ILE A 58 -5.629 3.195 3.670 1.00 0.17 H new ATOM 901 N LYS A 59 -8.258 -0.800 7.397 1.00 0.40 N ATOM 902 CA LYS A 59 -8.389 -1.191 8.801 1.00 0.53 C ATOM 903 C LYS A 59 -7.113 -1.007 9.603 1.00 0.52 C ATOM 904 O LYS A 59 -7.175 -0.719 10.795 1.00 0.61 O ATOM 905 CB LYS A 59 -8.834 -2.652 8.879 1.00 0.65 C ATOM 906 CG LYS A 59 -9.210 -3.101 10.282 1.00 0.83 C ATOM 907 CD LYS A 59 -8.337 -4.266 10.749 1.00 1.03 C ATOM 908 CE LYS A 59 -9.155 -5.362 11.417 1.00 1.51 C ATOM 909 NZ LYS A 59 -9.563 -6.421 10.449 1.00 2.14 N ATOM 0 H LYS A 59 -7.830 -1.510 6.803 1.00 0.40 H new ATOM 0 HA LYS A 59 -9.134 -0.530 9.244 1.00 0.53 H new ATOM 0 HB2 LYS A 59 -9.689 -2.798 8.219 1.00 0.65 H new ATOM 0 HB3 LYS A 59 -8.031 -3.288 8.506 1.00 0.65 H new ATOM 0 HG2 LYS A 59 -9.104 -2.265 10.974 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -10.258 -3.400 10.301 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -7.802 -4.683 9.896 1.00 1.03 H new ATOM 0 HD3 LYS A 59 -7.586 -3.898 11.448 1.00 1.03 H new ATOM 0 HE2 LYS A 59 -8.572 -5.811 12.221 1.00 1.51 H new ATOM 0 HE3 LYS A 59 -10.044 -4.925 11.873 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 -10.118 -7.148 10.944 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 -10.141 -5.998 9.695 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 -8.715 -6.856 10.033 1.00 2.14 H new ATOM 923 N LYS A 60 -5.962 -1.189 8.977 1.00 0.44 N ATOM 924 CA LYS A 60 -4.702 -1.046 9.704 1.00 0.45 C ATOM 925 C LYS A 60 -3.517 -0.772 8.786 1.00 0.37 C ATOM 926 O LYS A 60 -3.514 -1.128 7.607 1.00 0.53 O ATOM 927 CB LYS A 60 -4.431 -2.306 10.537 1.00 0.55 C ATOM 928 CG LYS A 60 -4.992 -3.577 9.924 1.00 0.76 C ATOM 929 CD LYS A 60 -4.182 -4.029 8.716 1.00 0.51 C ATOM 930 CE LYS A 60 -3.659 -5.448 8.892 1.00 0.71 C ATOM 931 NZ LYS A 60 -2.910 -5.614 10.174 1.00 1.35 N ATOM 0 H LYS A 60 -5.868 -1.431 7.990 1.00 0.44 H new ATOM 0 HA LYS A 60 -4.810 -0.180 10.357 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -3.355 -2.420 10.667 1.00 0.55 H new ATOM 0 HB3 LYS A 60 -4.859 -2.173 11.530 1.00 0.55 H new ATOM 0 HG2 LYS A 60 -5.000 -4.369 10.673 1.00 0.76 H new ATOM 0 HG3 LYS A 60 -6.027 -3.410 9.626 1.00 0.76 H new ATOM 0 HD2 LYS A 60 -4.802 -3.977 7.821 1.00 0.51 H new ATOM 0 HD3 LYS A 60 -3.345 -3.348 8.563 1.00 0.51 H new ATOM 0 HE2 LYS A 60 -4.494 -6.148 8.867 1.00 0.71 H new ATOM 0 HE3 LYS A 60 -3.007 -5.700 8.056 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 -2.145 -6.306 10.042 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 -2.505 -4.700 10.460 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 -3.558 -5.952 10.914 1.00 1.35 H new ATOM 945 N LEU A 61 -2.506 -0.147 9.365 1.00 0.35 N ATOM 946 CA LEU A 61 -1.284 0.195 8.656 1.00 0.37 C ATOM 947 C LEU A 61 -0.083 -0.125 9.532 1.00 0.56 C ATOM 948 O LEU A 61 -0.121 0.078 10.746 1.00 0.94 O ATOM 949 CB LEU A 61 -1.289 1.675 8.272 1.00 0.39 C ATOM 950 CG LEU A 61 -2.177 2.021 7.071 1.00 0.33 C ATOM 951 CD1 LEU A 61 -2.278 3.530 6.894 1.00 1.14 C ATOM 952 CD2 LEU A 61 -1.631 1.361 5.811 1.00 0.91 C ATOM 0 H LEU A 61 -2.509 0.139 10.344 1.00 0.35 H new ATOM 0 HA LEU A 61 -1.223 -0.393 7.740 1.00 0.37 H new ATOM 0 HB2 LEU A 61 -1.620 2.258 9.131 1.00 0.39 H new ATOM 0 HB3 LEU A 61 -0.267 1.983 8.052 1.00 0.39 H new ATOM 0 HG LEU A 61 -3.181 1.638 7.255 1.00 0.33 H new ATOM 0 HD11 LEU A 61 -2.912 3.754 6.036 1.00 1.14 H new ATOM 0 HD12 LEU A 61 -2.710 3.973 7.791 1.00 1.14 H new ATOM 0 HD13 LEU A 61 -1.284 3.944 6.728 1.00 1.14 H new ATOM 0 HD21 LEU A 61 -2.268 1.612 4.963 1.00 0.91 H new ATOM 0 HD22 LEU A 61 -0.619 1.718 5.623 1.00 0.91 H new ATOM 0 HD23 LEU A 61 -1.615 0.279 5.945 1.00 0.91 H new ATOM 964 N TYR A 62 0.977 -0.647 8.924 1.00 0.68 N ATOM 965 CA TYR A 62 2.172 -1.019 9.681 1.00 0.88 C ATOM 966 C TYR A 62 3.390 -0.148 9.337 1.00 0.75 C ATOM 967 O TYR A 62 4.110 0.294 10.227 1.00 0.87 O ATOM 968 CB TYR A 62 2.501 -2.490 9.429 1.00 1.16 C ATOM 969 CG TYR A 62 3.474 -3.068 10.418 1.00 1.24 C ATOM 970 CD1 TYR A 62 3.042 -3.504 11.656 1.00 1.55 C ATOM 971 CD2 TYR A 62 4.812 -3.194 10.106 1.00 1.81 C ATOM 972 CE1 TYR A 62 3.927 -4.037 12.571 1.00 2.07 C ATOM 973 CE2 TYR A 62 5.709 -3.730 11.005 1.00 2.35 C ATOM 974 CZ TYR A 62 5.261 -4.154 12.235 1.00 2.38 C ATOM 975 OH TYR A 62 6.150 -4.694 13.129 1.00 3.08 O ATOM 0 H TYR A 62 1.036 -0.822 7.921 1.00 0.68 H new ATOM 0 HA TYR A 62 1.950 -0.855 10.735 1.00 0.88 H new ATOM 0 HB2 TYR A 62 1.579 -3.070 9.458 1.00 1.16 H new ATOM 0 HB3 TYR A 62 2.912 -2.595 8.425 1.00 1.16 H new ATOM 0 HD1 TYR A 62 1.996 -3.426 11.912 1.00 1.55 H new ATOM 0 HD2 TYR A 62 5.163 -2.866 9.139 1.00 1.81 H new ATOM 0 HE1 TYR A 62 3.579 -4.360 13.541 1.00 2.07 H new ATOM 0 HE2 TYR A 62 6.754 -3.816 10.746 1.00 2.35 H new ATOM 0 HH TYR A 62 7.047 -4.704 12.733 1.00 3.08 H new ATOM 985 N TYR A 63 3.631 0.078 8.051 1.00 0.64 N ATOM 986 CA TYR A 63 4.781 0.877 7.623 1.00 0.62 C ATOM 987 C TYR A 63 4.396 2.334 7.413 1.00 0.63 C ATOM 988 O TYR A 63 3.364 2.641 6.813 1.00 0.73 O ATOM 989 CB TYR A 63 5.370 0.310 6.331 1.00 0.79 C ATOM 990 CG TYR A 63 5.886 -1.102 6.463 1.00 1.02 C ATOM 991 CD1 TYR A 63 6.670 -1.473 7.546 1.00 1.16 C ATOM 992 CD2 TYR A 63 5.587 -2.066 5.505 1.00 1.28 C ATOM 993 CE1 TYR A 63 7.154 -2.757 7.666 1.00 1.45 C ATOM 994 CE2 TYR A 63 6.072 -3.352 5.621 1.00 1.56 C ATOM 995 CZ TYR A 63 6.843 -3.692 6.705 1.00 1.60 C ATOM 996 OH TYR A 63 7.324 -4.972 6.821 1.00 1.93 O ATOM 0 H TYR A 63 3.053 -0.276 7.289 1.00 0.64 H new ATOM 0 HA TYR A 63 5.529 0.830 8.414 1.00 0.62 H new ATOM 0 HB2 TYR A 63 4.607 0.336 5.553 1.00 0.79 H new ATOM 0 HB3 TYR A 63 6.184 0.955 6.001 1.00 0.79 H new ATOM 0 HD1 TYR A 63 6.904 -0.743 8.307 1.00 1.16 H new ATOM 0 HD2 TYR A 63 4.967 -1.804 4.660 1.00 1.28 H new ATOM 0 HE1 TYR A 63 7.773 -3.028 8.508 1.00 1.45 H new ATOM 0 HE2 TYR A 63 5.846 -4.088 4.863 1.00 1.56 H new ATOM 0 HH TYR A 63 7.013 -5.508 6.062 1.00 1.93 H new ATOM 1006 N ASN A 64 5.236 3.232 7.909 1.00 0.63 N ATOM 1007 CA ASN A 64 4.986 4.661 7.767 1.00 0.67 C ATOM 1008 C ASN A 64 5.981 5.311 6.816 1.00 0.49 C ATOM 1009 O ASN A 64 6.775 4.642 6.157 1.00 0.47 O ATOM 1010 CB ASN A 64 5.067 5.361 9.120 1.00 0.93 C ATOM 1011 CG ASN A 64 4.138 4.745 10.143 1.00 1.14 C ATOM 1012 OD1 ASN A 64 4.457 3.718 10.741 1.00 1.70 O ATOM 1013 ND2 ASN A 64 2.982 5.370 10.350 1.00 1.03 N ATOM 0 H ASN A 64 6.093 2.999 8.411 1.00 0.63 H new ATOM 0 HA ASN A 64 3.982 4.769 7.356 1.00 0.67 H new ATOM 0 HB2 ASN A 64 6.092 5.315 9.489 1.00 0.93 H new ATOM 0 HB3 ASN A 64 4.819 6.415 8.996 1.00 0.93 H new ATOM 0 HD21 ASN A 64 2.317 5.000 11.029 1.00 1.03 H new ATOM 0 HD22 ASN A 64 2.761 6.219 9.830 1.00 1.03 H new ATOM 1020 N LEU A 65 5.910 6.634 6.756 1.00 0.54 N ATOM 1021 CA LEU A 65 6.766 7.444 5.901 1.00 0.54 C ATOM 1022 C LEU A 65 8.252 7.190 6.152 1.00 0.66 C ATOM 1023 O LEU A 65 9.099 7.512 5.314 1.00 0.77 O ATOM 1024 CB LEU A 65 6.472 8.918 6.156 1.00 0.66 C ATOM 1025 CG LEU A 65 5.175 9.416 5.531 1.00 0.75 C ATOM 1026 CD1 LEU A 65 4.176 9.785 6.609 1.00 1.06 C ATOM 1027 CD2 LEU A 65 5.435 10.591 4.590 1.00 1.04 C ATOM 0 H LEU A 65 5.248 7.181 7.307 1.00 0.54 H new ATOM 0 HA LEU A 65 6.551 7.169 4.868 1.00 0.54 H new ATOM 0 HB2 LEU A 65 6.432 9.087 7.232 1.00 0.66 H new ATOM 0 HB3 LEU A 65 7.300 9.513 5.770 1.00 0.66 H new ATOM 0 HG LEU A 65 4.748 8.609 4.936 1.00 0.75 H new ATOM 0 HD11 LEU A 65 3.255 10.139 6.146 1.00 1.06 H new ATOM 0 HD12 LEU A 65 3.961 8.909 7.221 1.00 1.06 H new ATOM 0 HD13 LEU A 65 4.592 10.573 7.237 1.00 1.06 H new ATOM 0 HD21 LEU A 65 4.492 10.927 4.158 1.00 1.04 H new ATOM 0 HD22 LEU A 65 5.890 11.410 5.147 1.00 1.04 H new ATOM 0 HD23 LEU A 65 6.108 10.276 3.792 1.00 1.04 H new ATOM 1039 N ASP A 66 8.569 6.650 7.326 1.00 0.75 N ATOM 1040 CA ASP A 66 9.965 6.397 7.703 1.00 0.92 C ATOM 1041 C ASP A 66 10.340 4.920 7.606 1.00 0.87 C ATOM 1042 O ASP A 66 11.508 4.593 7.410 1.00 1.00 O ATOM 1043 CB ASP A 66 10.215 6.875 9.139 1.00 1.12 C ATOM 1044 CG ASP A 66 10.127 8.379 9.280 1.00 1.74 C ATOM 1045 OD1 ASP A 66 9.308 8.988 8.567 1.00 2.33 O ATOM 1046 OD2 ASP A 66 10.869 8.947 10.113 1.00 2.30 O ATOM 0 H ASP A 66 7.885 6.379 8.032 1.00 0.75 H new ATOM 0 HA ASP A 66 10.586 6.950 6.998 1.00 0.92 H new ATOM 0 HB2 ASP A 66 9.488 6.409 9.804 1.00 1.12 H new ATOM 0 HB3 ASP A 66 11.201 6.541 9.462 1.00 1.12 H new ATOM 1051 N ASP A 67 9.362 4.034 7.774 1.00 0.77 N ATOM 1052 CA ASP A 67 9.615 2.584 7.740 1.00 0.81 C ATOM 1053 C ASP A 67 9.820 2.051 6.316 1.00 0.69 C ATOM 1054 O ASP A 67 9.288 2.601 5.341 1.00 0.56 O ATOM 1055 CB ASP A 67 8.462 1.825 8.403 1.00 0.92 C ATOM 1056 CG ASP A 67 8.083 2.389 9.760 1.00 1.35 C ATOM 1057 OD1 ASP A 67 7.364 3.406 9.794 1.00 1.54 O ATOM 1058 OD2 ASP A 67 8.500 1.809 10.787 1.00 1.85 O ATOM 0 H ASP A 67 8.387 4.287 7.935 1.00 0.77 H new ATOM 0 HA ASP A 67 10.540 2.418 8.292 1.00 0.81 H new ATOM 0 HB2 ASP A 67 7.591 1.854 7.748 1.00 0.92 H new ATOM 0 HB3 ASP A 67 8.741 0.778 8.516 1.00 0.92 H new ATOM 1063 N ILE A 68 10.578 0.956 6.217 1.00 0.83 N ATOM 1064 CA ILE A 68 10.861 0.304 4.946 1.00 0.78 C ATOM 1065 C ILE A 68 10.065 -0.969 4.836 1.00 0.99 C ATOM 1066 O ILE A 68 9.973 -1.740 5.788 1.00 1.38 O ATOM 1067 CB ILE A 68 12.343 -0.081 4.798 1.00 1.07 C ATOM 1068 CG1 ILE A 68 13.258 0.874 5.559 1.00 1.27 C ATOM 1069 CG2 ILE A 68 12.726 -0.142 3.331 1.00 1.06 C ATOM 1070 CD1 ILE A 68 13.351 2.227 4.924 1.00 1.10 C ATOM 0 H ILE A 68 11.011 0.500 7.020 1.00 0.83 H new ATOM 0 HA ILE A 68 10.595 1.020 4.169 1.00 0.78 H new ATOM 0 HB ILE A 68 12.475 -1.070 5.238 1.00 1.07 H new ATOM 0 HG12 ILE A 68 12.892 0.982 6.580 1.00 1.27 H new ATOM 0 HG13 ILE A 68 14.256 0.439 5.622 1.00 1.27 H new ATOM 0 HG21 ILE A 68 13.777 -0.415 3.240 1.00 1.06 H new ATOM 0 HG22 ILE A 68 12.112 -0.888 2.825 1.00 1.06 H new ATOM 0 HG23 ILE A 68 12.564 0.833 2.872 1.00 1.06 H new ATOM 0 HD11 ILE A 68 14.016 2.860 5.512 1.00 1.10 H new ATOM 0 HD12 ILE A 68 13.745 2.128 3.912 1.00 1.10 H new ATOM 0 HD13 ILE A 68 12.360 2.679 4.885 1.00 1.10 H new ATOM 1082 N ALA A 69 9.512 -1.196 3.673 1.00 1.00 N ATOM 1083 CA ALA A 69 8.743 -2.393 3.441 1.00 1.34 C ATOM 1084 C ALA A 69 9.530 -3.393 2.613 1.00 1.19 C ATOM 1085 O ALA A 69 10.389 -3.022 1.795 1.00 1.68 O ATOM 1086 CB ALA A 69 7.435 -2.054 2.761 1.00 2.16 C ATOM 0 H ALA A 69 9.579 -0.569 2.871 1.00 1.00 H new ATOM 0 HA ALA A 69 8.526 -2.851 4.406 1.00 1.34 H new ATOM 0 HB1 ALA A 69 6.865 -2.968 2.592 1.00 2.16 H new ATOM 0 HB2 ALA A 69 6.860 -1.379 3.395 1.00 2.16 H new ATOM 0 HB3 ALA A 69 7.636 -1.570 1.805 1.00 2.16 H new ATOM 1092 N TYR A 70 9.218 -4.657 2.842 1.00 1.18 N ATOM 1093 CA TYR A 70 9.847 -5.761 2.151 1.00 1.38 C ATOM 1094 C TYR A 70 8.826 -6.441 1.248 1.00 1.17 C ATOM 1095 O TYR A 70 7.631 -6.452 1.546 1.00 1.21 O ATOM 1096 CB TYR A 70 10.399 -6.767 3.162 1.00 1.97 C ATOM 1097 CG TYR A 70 11.305 -6.165 4.217 1.00 2.80 C ATOM 1098 CD1 TYR A 70 10.843 -5.198 5.104 1.00 3.17 C ATOM 1099 CD2 TYR A 70 12.621 -6.582 4.335 1.00 3.47 C ATOM 1100 CE1 TYR A 70 11.675 -4.660 6.070 1.00 4.07 C ATOM 1101 CE2 TYR A 70 13.458 -6.051 5.297 1.00 4.42 C ATOM 1102 CZ TYR A 70 12.980 -5.094 6.163 1.00 4.67 C ATOM 1103 OH TYR A 70 13.813 -4.566 7.122 1.00 5.65 O ATOM 0 H TYR A 70 8.513 -4.945 3.521 1.00 1.18 H new ATOM 0 HA TYR A 70 10.671 -5.383 1.546 1.00 1.38 H new ATOM 0 HB2 TYR A 70 9.563 -7.261 3.658 1.00 1.97 H new ATOM 0 HB3 TYR A 70 10.951 -7.538 2.624 1.00 1.97 H new ATOM 0 HD1 TYR A 70 9.819 -4.862 5.038 1.00 3.17 H new ATOM 0 HD2 TYR A 70 13.000 -7.337 3.662 1.00 3.47 H new ATOM 0 HE1 TYR A 70 11.304 -3.905 6.747 1.00 4.07 H new ATOM 0 HE2 TYR A 70 14.482 -6.385 5.369 1.00 4.42 H new ATOM 0 HH TYR A 70 14.698 -4.981 7.051 1.00 5.65 H new ATOM 1113 N VAL A 71 9.297 -6.997 0.148 1.00 1.69 N ATOM 1114 CA VAL A 71 8.431 -7.676 -0.796 1.00 2.02 C ATOM 1115 C VAL A 71 8.165 -9.114 -0.356 1.00 2.00 C ATOM 1116 O VAL A 71 9.067 -9.813 0.105 1.00 2.35 O ATOM 1117 CB VAL A 71 9.050 -7.661 -2.204 1.00 2.95 C ATOM 1118 CG1 VAL A 71 10.408 -8.359 -2.218 1.00 3.18 C ATOM 1119 CG2 VAL A 71 8.100 -8.275 -3.223 1.00 3.61 C ATOM 0 H VAL A 71 10.283 -6.991 -0.115 1.00 1.69 H new ATOM 0 HA VAL A 71 7.481 -7.143 -0.823 1.00 2.02 H new ATOM 0 HB VAL A 71 9.214 -6.621 -2.487 1.00 2.95 H new ATOM 0 HG11 VAL A 71 10.820 -8.332 -3.227 1.00 3.18 H new ATOM 0 HG12 VAL A 71 11.087 -7.848 -1.535 1.00 3.18 H new ATOM 0 HG13 VAL A 71 10.288 -9.395 -1.903 1.00 3.18 H new ATOM 0 HG21 VAL A 71 8.561 -8.252 -4.210 1.00 3.61 H new ATOM 0 HG22 VAL A 71 7.887 -9.307 -2.946 1.00 3.61 H new ATOM 0 HG23 VAL A 71 7.171 -7.706 -3.243 1.00 3.61 H new ATOM 1129 N GLY A 72 6.917 -9.544 -0.500 1.00 1.84 N ATOM 1130 CA GLY A 72 6.535 -10.895 -0.107 1.00 1.87 C ATOM 1131 C GLY A 72 5.497 -10.920 1.018 1.00 1.57 C ATOM 1132 O GLY A 72 4.955 -11.978 1.347 1.00 1.63 O ATOM 0 H GLY A 72 6.157 -8.982 -0.883 1.00 1.84 H new ATOM 0 HA2 GLY A 72 6.135 -11.420 -0.974 1.00 1.87 H new ATOM 0 HA3 GLY A 72 7.423 -11.439 0.214 1.00 1.87 H new ATOM 1136 N LYS A 73 5.220 -9.753 1.612 1.00 1.31 N ATOM 1137 CA LYS A 73 4.244 -9.653 2.705 1.00 1.09 C ATOM 1138 C LYS A 73 3.473 -8.340 2.639 1.00 0.83 C ATOM 1139 O LYS A 73 4.080 -7.271 2.541 1.00 0.79 O ATOM 1140 CB LYS A 73 4.943 -9.748 4.061 1.00 1.27 C ATOM 1141 CG LYS A 73 4.954 -11.153 4.620 1.00 1.59 C ATOM 1142 CD LYS A 73 3.547 -11.607 5.001 1.00 1.98 C ATOM 1143 CE LYS A 73 3.555 -13.023 5.540 1.00 2.32 C ATOM 1144 NZ LYS A 73 3.732 -14.022 4.455 1.00 2.96 N ATOM 0 H LYS A 73 5.656 -8.867 1.356 1.00 1.31 H new ATOM 0 HA LYS A 73 3.546 -10.482 2.592 1.00 1.09 H new ATOM 0 HB2 LYS A 73 5.969 -9.394 3.961 1.00 1.27 H new ATOM 0 HB3 LYS A 73 4.445 -9.085 4.768 1.00 1.27 H new ATOM 0 HG2 LYS A 73 5.372 -11.837 3.882 1.00 1.59 H new ATOM 0 HG3 LYS A 73 5.602 -11.194 5.496 1.00 1.59 H new ATOM 0 HD2 LYS A 73 3.135 -10.932 5.751 1.00 1.98 H new ATOM 0 HD3 LYS A 73 2.895 -11.551 4.129 1.00 1.98 H new ATOM 0 HE2 LYS A 73 4.359 -13.131 6.269 1.00 2.32 H new ATOM 0 HE3 LYS A 73 2.620 -13.218 6.065 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 3.698 -14.981 4.857 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 2.970 -13.913 3.755 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 4.651 -13.873 3.992 1.00 2.96 H new ATOM 1158 N PRO A 74 2.122 -8.390 2.713 1.00 0.75 N ATOM 1159 CA PRO A 74 1.292 -7.187 2.682 1.00 0.64 C ATOM 1160 C PRO A 74 1.417 -6.398 3.973 1.00 0.53 C ATOM 1161 O PRO A 74 1.583 -6.975 5.042 1.00 0.75 O ATOM 1162 CB PRO A 74 -0.149 -7.715 2.535 1.00 0.77 C ATOM 1163 CG PRO A 74 -0.025 -9.178 2.286 1.00 0.87 C ATOM 1164 CD PRO A 74 1.298 -9.601 2.855 1.00 0.91 C ATOM 0 HA PRO A 74 1.588 -6.516 1.875 1.00 0.64 H new ATOM 0 HB2 PRO A 74 -0.730 -7.520 3.436 1.00 0.77 H new ATOM 0 HB3 PRO A 74 -0.664 -7.221 1.711 1.00 0.77 H new ATOM 0 HG2 PRO A 74 -0.842 -9.722 2.760 1.00 0.87 H new ATOM 0 HG3 PRO A 74 -0.075 -9.395 1.219 1.00 0.87 H new ATOM 0 HD2 PRO A 74 1.209 -9.909 3.897 1.00 0.91 H new ATOM 0 HD3 PRO A 74 1.721 -10.444 2.309 1.00 0.91 H new ATOM 1172 N LEU A 75 1.327 -5.084 3.888 1.00 0.40 N ATOM 1173 CA LEU A 75 1.416 -4.269 5.090 1.00 0.49 C ATOM 1174 C LEU A 75 0.074 -3.648 5.441 1.00 0.46 C ATOM 1175 O LEU A 75 -0.102 -3.148 6.551 1.00 0.62 O ATOM 1176 CB LEU A 75 2.476 -3.167 4.969 1.00 0.64 C ATOM 1177 CG LEU A 75 2.449 -2.306 3.691 1.00 0.86 C ATOM 1178 CD1 LEU A 75 3.192 -2.981 2.547 1.00 1.84 C ATOM 1179 CD2 LEU A 75 1.025 -1.975 3.273 1.00 1.32 C ATOM 0 H LEU A 75 1.195 -4.565 3.020 1.00 0.40 H new ATOM 0 HA LEU A 75 1.717 -4.943 5.892 1.00 0.49 H new ATOM 0 HB2 LEU A 75 2.373 -2.503 5.827 1.00 0.64 H new ATOM 0 HB3 LEU A 75 3.459 -3.633 5.043 1.00 0.64 H new ATOM 0 HG LEU A 75 2.961 -1.373 3.926 1.00 0.86 H new ATOM 0 HD11 LEU A 75 3.152 -2.346 1.662 1.00 1.84 H new ATOM 0 HD12 LEU A 75 4.232 -3.141 2.833 1.00 1.84 H new ATOM 0 HD13 LEU A 75 2.725 -3.941 2.326 1.00 1.84 H new ATOM 0 HD21 LEU A 75 1.043 -1.367 2.369 1.00 1.32 H new ATOM 0 HD22 LEU A 75 0.479 -2.898 3.079 1.00 1.32 H new ATOM 0 HD23 LEU A 75 0.530 -1.422 4.072 1.00 1.32 H new ATOM 1191 N VAL A 76 -0.874 -3.661 4.502 1.00 0.32 N ATOM 1192 CA VAL A 76 -2.182 -3.067 4.773 1.00 0.29 C ATOM 1193 C VAL A 76 -3.331 -3.899 4.229 1.00 0.27 C ATOM 1194 O VAL A 76 -3.163 -4.688 3.304 1.00 0.35 O ATOM 1195 CB VAL A 76 -2.284 -1.654 4.179 1.00 0.36 C ATOM 1196 CG1 VAL A 76 -2.103 -1.717 2.670 1.00 0.37 C ATOM 1197 CG2 VAL A 76 -3.617 -0.998 4.534 1.00 0.47 C ATOM 0 H VAL A 76 -0.766 -4.065 3.572 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.266 -3.027 5.859 1.00 0.29 H new ATOM 0 HB VAL A 76 -1.492 -1.041 4.609 1.00 0.36 H new ATOM 0 HG11 VAL A 76 -2.176 -0.713 2.253 1.00 0.37 H new ATOM 0 HG12 VAL A 76 -1.124 -2.136 2.438 1.00 0.37 H new ATOM 0 HG13 VAL A 76 -2.879 -2.347 2.236 1.00 0.37 H new ATOM 0 HG21 VAL A 76 -3.658 0.001 4.099 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -4.435 -1.600 4.139 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -3.710 -0.926 5.618 1.00 0.47 H new ATOM 1207 N ASP A 77 -4.502 -3.699 4.834 1.00 0.30 N ATOM 1208 CA ASP A 77 -5.721 -4.400 4.458 1.00 0.41 C ATOM 1209 C ASP A 77 -6.803 -3.374 4.127 1.00 0.38 C ATOM 1210 O ASP A 77 -7.140 -2.535 4.958 1.00 0.41 O ATOM 1211 CB ASP A 77 -6.177 -5.317 5.600 1.00 0.58 C ATOM 1212 CG ASP A 77 -5.037 -6.112 6.228 1.00 0.78 C ATOM 1213 OD1 ASP A 77 -3.864 -5.709 6.089 1.00 0.87 O ATOM 1214 OD2 ASP A 77 -5.316 -7.150 6.861 1.00 1.10 O ATOM 0 H ASP A 77 -4.628 -3.041 5.603 1.00 0.30 H new ATOM 0 HA ASP A 77 -5.533 -5.020 3.581 1.00 0.41 H new ATOM 0 HB2 ASP A 77 -6.658 -4.714 6.371 1.00 0.58 H new ATOM 0 HB3 ASP A 77 -6.929 -6.010 5.222 1.00 0.58 H new ATOM 1219 N ILE A 78 -7.313 -3.415 2.897 1.00 0.44 N ATOM 1220 CA ILE A 78 -8.321 -2.441 2.461 1.00 0.42 C ATOM 1221 C ILE A 78 -9.438 -3.092 1.647 1.00 0.41 C ATOM 1222 O ILE A 78 -9.205 -4.059 0.936 1.00 0.51 O ATOM 1223 CB ILE A 78 -7.688 -1.333 1.590 1.00 0.42 C ATOM 1224 CG1 ILE A 78 -6.236 -1.074 2.000 1.00 0.53 C ATOM 1225 CG2 ILE A 78 -8.506 -0.065 1.676 1.00 0.48 C ATOM 1226 CD1 ILE A 78 -5.249 -1.962 1.277 1.00 0.86 C ATOM 0 H ILE A 78 -7.051 -4.102 2.190 1.00 0.44 H new ATOM 0 HA ILE A 78 -8.738 -2.016 3.374 1.00 0.42 H new ATOM 0 HB ILE A 78 -7.685 -1.672 0.554 1.00 0.42 H new ATOM 0 HG12 ILE A 78 -5.989 -0.031 1.803 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -6.135 -1.228 3.074 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -8.048 0.706 1.057 1.00 0.48 H new ATOM 0 HG22 ILE A 78 -9.518 -0.260 1.322 1.00 0.48 H new ATOM 0 HG23 ILE A 78 -8.543 0.275 2.711 1.00 0.48 H new ATOM 0 HD11 ILE A 78 -4.238 -1.730 1.611 1.00 0.86 H new ATOM 0 HD12 ILE A 78 -5.472 -3.007 1.494 1.00 0.86 H new ATOM 0 HD13 ILE A 78 -5.324 -1.791 0.203 1.00 0.86 H new ATOM 1238 N GLU A 79 -10.652 -2.535 1.727 1.00 0.29 N ATOM 1239 CA GLU A 79 -11.774 -3.067 0.958 1.00 0.29 C ATOM 1240 C GLU A 79 -12.000 -2.218 -0.281 1.00 0.47 C ATOM 1241 O GLU A 79 -12.396 -1.060 -0.188 1.00 0.79 O ATOM 1242 CB GLU A 79 -13.051 -3.089 1.805 1.00 0.62 C ATOM 1243 CG GLU A 79 -12.973 -4.027 2.995 1.00 0.92 C ATOM 1244 CD GLU A 79 -14.201 -3.950 3.883 1.00 0.96 C ATOM 1245 OE1 GLU A 79 -14.782 -2.853 3.998 1.00 1.39 O ATOM 1246 OE2 GLU A 79 -14.581 -4.990 4.462 1.00 1.09 O ATOM 0 H GLU A 79 -10.877 -1.728 2.309 1.00 0.29 H new ATOM 0 HA GLU A 79 -11.534 -4.088 0.662 1.00 0.29 H new ATOM 0 HB2 GLU A 79 -13.259 -2.080 2.161 1.00 0.62 H new ATOM 0 HB3 GLU A 79 -13.890 -3.384 1.175 1.00 0.62 H new ATOM 0 HG2 GLU A 79 -12.851 -5.050 2.639 1.00 0.92 H new ATOM 0 HG3 GLU A 79 -12.088 -3.787 3.584 1.00 0.92 H new ATOM 1253 N THR A 80 -11.759 -2.805 -1.439 1.00 0.64 N ATOM 1254 CA THR A 80 -11.936 -2.106 -2.695 1.00 1.05 C ATOM 1255 C THR A 80 -12.514 -3.050 -3.749 1.00 1.00 C ATOM 1256 O THR A 80 -12.407 -4.271 -3.625 1.00 1.22 O ATOM 1257 CB THR A 80 -10.612 -1.510 -3.211 1.00 1.51 C ATOM 1258 OG1 THR A 80 -9.525 -2.397 -2.919 1.00 2.39 O ATOM 1259 CG2 THR A 80 -10.338 -0.151 -2.577 1.00 1.18 C ATOM 0 H THR A 80 -11.439 -3.769 -1.534 1.00 0.64 H new ATOM 0 HA THR A 80 -12.630 -1.285 -2.514 1.00 1.05 H new ATOM 0 HB THR A 80 -10.701 -1.381 -4.290 1.00 1.51 H new ATOM 0 HG1 THR A 80 -8.689 -2.010 -3.252 1.00 2.39 H new ATOM 0 HG21 THR A 80 -9.398 0.246 -2.959 1.00 1.18 H new ATOM 0 HG22 THR A 80 -11.148 0.535 -2.823 1.00 1.18 H new ATOM 0 HG23 THR A 80 -10.272 -0.261 -1.495 1.00 1.18 H new ATOM 1267 N GLU A 81 -13.118 -2.487 -4.785 1.00 1.27 N ATOM 1268 CA GLU A 81 -13.690 -3.298 -5.853 1.00 1.30 C ATOM 1269 C GLU A 81 -12.611 -4.203 -6.446 1.00 1.99 C ATOM 1270 O GLU A 81 -11.455 -3.809 -6.570 1.00 2.56 O ATOM 1271 CB GLU A 81 -14.290 -2.391 -6.934 1.00 1.53 C ATOM 1272 CG GLU A 81 -15.693 -1.906 -6.599 1.00 1.62 C ATOM 1273 CD GLU A 81 -15.715 -0.550 -5.919 1.00 2.40 C ATOM 1274 OE1 GLU A 81 -14.854 -0.306 -5.044 1.00 3.13 O ATOM 1275 OE2 GLU A 81 -16.602 0.263 -6.252 1.00 2.85 O ATOM 0 H GLU A 81 -13.225 -1.480 -4.910 1.00 1.27 H new ATOM 0 HA GLU A 81 -14.486 -3.923 -5.447 1.00 1.30 H new ATOM 0 HB2 GLU A 81 -13.639 -1.529 -7.078 1.00 1.53 H new ATOM 0 HB3 GLU A 81 -14.316 -2.932 -7.880 1.00 1.53 H new ATOM 0 HG2 GLU A 81 -16.280 -1.854 -7.516 1.00 1.62 H new ATOM 0 HG3 GLU A 81 -16.177 -2.637 -5.951 1.00 1.62 H new ATOM 1282 N ALA A 82 -12.989 -5.427 -6.794 1.00 2.01 N ATOM 1283 CA ALA A 82 -12.054 -6.400 -7.351 1.00 2.67 C ATOM 1284 C ALA A 82 -11.082 -5.770 -8.356 1.00 3.02 C ATOM 1285 O ALA A 82 -11.491 -5.266 -9.401 1.00 3.10 O ATOM 1286 CB ALA A 82 -12.831 -7.519 -8.008 1.00 2.85 C ATOM 0 H ALA A 82 -13.944 -5.772 -6.700 1.00 2.01 H new ATOM 0 HA ALA A 82 -11.451 -6.791 -6.531 1.00 2.67 H new ATOM 0 HB1 ALA A 82 -12.136 -8.248 -8.425 1.00 2.85 H new ATOM 0 HB2 ALA A 82 -13.466 -8.005 -7.267 1.00 2.85 H new ATOM 0 HB3 ALA A 82 -13.452 -7.111 -8.806 1.00 2.85 H new ATOM 1292 N LEU A 83 -9.791 -5.811 -8.039 1.00 3.31 N ATOM 1293 CA LEU A 83 -8.765 -5.250 -8.916 1.00 3.73 C ATOM 1294 C LEU A 83 -7.784 -6.332 -9.378 1.00 4.31 C ATOM 1295 O LEU A 83 -7.339 -7.156 -8.581 1.00 4.31 O ATOM 1296 CB LEU A 83 -8.018 -4.157 -8.170 1.00 3.56 C ATOM 1297 CG LEU A 83 -8.120 -2.751 -8.763 1.00 3.51 C ATOM 1298 CD1 LEU A 83 -9.543 -2.215 -8.655 1.00 3.49 C ATOM 1299 CD2 LEU A 83 -7.138 -1.811 -8.067 1.00 3.60 C ATOM 0 H LEU A 83 -9.429 -6.227 -7.181 1.00 3.31 H new ATOM 0 HA LEU A 83 -9.247 -4.834 -9.801 1.00 3.73 H new ATOM 0 HB2 LEU A 83 -8.388 -4.125 -7.145 1.00 3.56 H new ATOM 0 HB3 LEU A 83 -6.965 -4.433 -8.120 1.00 3.56 H new ATOM 0 HG LEU A 83 -7.861 -2.806 -9.820 1.00 3.51 H new ATOM 0 HD11 LEU A 83 -9.588 -1.214 -9.084 1.00 3.49 H new ATOM 0 HD12 LEU A 83 -10.222 -2.873 -9.197 1.00 3.49 H new ATOM 0 HD13 LEU A 83 -9.838 -2.174 -7.606 1.00 3.49 H new ATOM 0 HD21 LEU A 83 -7.221 -0.814 -8.499 1.00 3.60 H new ATOM 0 HD22 LEU A 83 -7.369 -1.766 -7.003 1.00 3.60 H new ATOM 0 HD23 LEU A 83 -6.122 -2.181 -8.202 1.00 3.60 H new