USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 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 X(o=0,f=-0.19) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -149:sc= -7.43! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 25:sc= 0.146 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0.094) USER MOD Single : A 37 SER OG : rot 167:sc= 0.695 USER MOD Single : A 39 CYS SG : rot 106:sc= 0.611 USER MOD Single : A 42 GLN : amide:sc= -0.109 K(o=-0.11,f=-3.4!) 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 30:sc= 0.351 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -120:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.189 (180deg=-0.804) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= -0.0211 (180deg=-0.173) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 175:sc= 0.00681 USER MOD Single : A 64 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.2) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0285 (180deg=-0.188) USER MOD Single : A 80 THR OG1 : rot -160:sc= -3.19! USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 14.458 8.295 4.309 1.00 2.87 N ATOM 28 CA GLN A 3 13.299 8.640 3.494 1.00 2.29 C ATOM 29 C GLN A 3 12.515 7.391 3.114 1.00 1.97 C ATOM 30 O GLN A 3 13.096 6.339 2.851 1.00 2.17 O ATOM 31 CB GLN A 3 13.733 9.379 2.229 1.00 2.41 C ATOM 32 CG GLN A 3 13.953 10.870 2.435 1.00 3.17 C ATOM 33 CD GLN A 3 15.267 11.353 1.853 1.00 3.60 C ATOM 34 OE1 GLN A 3 16.326 11.182 2.457 1.00 3.44 O ATOM 35 NE2 GLN A 3 15.206 11.963 0.674 1.00 4.47 N ATOM 0 HA GLN A 3 12.656 9.293 4.085 1.00 2.29 H new ATOM 0 HB2 GLN A 3 14.655 8.933 1.857 1.00 2.41 H new ATOM 0 HB3 GLN A 3 12.976 9.236 1.458 1.00 2.41 H new ATOM 0 HG2 GLN A 3 13.132 11.421 1.976 1.00 3.17 H new ATOM 0 HG3 GLN A 3 13.929 11.093 3.502 1.00 3.17 H new ATOM 0 HE21 GLN A 3 14.307 12.084 0.208 1.00 4.47 H new ATOM 0 HE22 GLN A 3 16.059 12.311 0.235 1.00 4.47 H new ATOM 44 N VAL A 4 11.194 7.515 3.086 1.00 1.57 N ATOM 45 CA VAL A 4 10.334 6.394 2.736 1.00 1.29 C ATOM 46 C VAL A 4 9.166 6.841 1.865 1.00 1.28 C ATOM 47 O VAL A 4 8.627 7.934 2.042 1.00 1.44 O ATOM 48 CB VAL A 4 9.779 5.688 3.994 1.00 1.17 C ATOM 49 CG1 VAL A 4 10.914 5.266 4.911 1.00 1.39 C ATOM 50 CG2 VAL A 4 8.796 6.585 4.730 1.00 1.57 C ATOM 0 H VAL A 4 10.697 8.379 3.301 1.00 1.57 H new ATOM 0 HA VAL A 4 10.953 5.692 2.177 1.00 1.29 H new ATOM 0 HB VAL A 4 9.244 4.793 3.675 1.00 1.17 H new ATOM 0 HG11 VAL A 4 10.505 4.771 5.792 1.00 1.39 H new ATOM 0 HG12 VAL A 4 11.573 4.579 4.381 1.00 1.39 H new ATOM 0 HG13 VAL A 4 11.479 6.146 5.219 1.00 1.39 H new ATOM 0 HG21 VAL A 4 8.419 6.066 5.611 1.00 1.57 H new ATOM 0 HG22 VAL A 4 9.299 7.502 5.036 1.00 1.57 H new ATOM 0 HG23 VAL A 4 7.964 6.831 4.071 1.00 1.57 H new ATOM 60 N VAL A 5 8.762 5.975 0.947 1.00 1.14 N ATOM 61 CA VAL A 5 7.638 6.259 0.075 1.00 1.22 C ATOM 62 C VAL A 5 6.398 5.591 0.642 1.00 1.03 C ATOM 63 O VAL A 5 6.375 4.378 0.850 1.00 0.92 O ATOM 64 CB VAL A 5 7.882 5.751 -1.359 1.00 1.29 C ATOM 65 CG1 VAL A 5 8.873 6.652 -2.079 1.00 1.79 C ATOM 66 CG2 VAL A 5 8.373 4.309 -1.346 1.00 1.70 C ATOM 0 H VAL A 5 9.200 5.067 0.789 1.00 1.14 H new ATOM 0 HA VAL A 5 7.508 7.340 0.026 1.00 1.22 H new ATOM 0 HB VAL A 5 6.936 5.779 -1.899 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.035 6.280 -3.091 1.00 1.79 H new ATOM 0 HG12 VAL A 5 8.476 7.666 -2.125 1.00 1.79 H new ATOM 0 HG13 VAL A 5 9.820 6.657 -1.539 1.00 1.79 H new ATOM 0 HG21 VAL A 5 8.538 3.972 -2.369 1.00 1.70 H new ATOM 0 HG22 VAL A 5 9.307 4.248 -0.788 1.00 1.70 H new ATOM 0 HG23 VAL A 5 7.625 3.674 -0.871 1.00 1.70 H new ATOM 76 N GLN A 6 5.382 6.385 0.935 1.00 1.03 N ATOM 77 CA GLN A 6 4.170 5.849 1.523 1.00 0.85 C ATOM 78 C GLN A 6 3.064 5.659 0.500 1.00 0.83 C ATOM 79 O GLN A 6 2.885 6.472 -0.407 1.00 0.94 O ATOM 80 CB GLN A 6 3.687 6.754 2.653 1.00 0.83 C ATOM 81 CG GLN A 6 4.534 6.652 3.907 1.00 1.45 C ATOM 82 CD GLN A 6 4.809 8.002 4.541 1.00 1.81 C ATOM 83 OE1 GLN A 6 4.305 8.307 5.622 1.00 2.26 O ATOM 84 NE2 GLN A 6 5.613 8.819 3.871 1.00 2.01 N ATOM 0 H GLN A 6 5.373 7.393 0.777 1.00 1.03 H new ATOM 0 HA GLN A 6 4.415 4.865 1.921 1.00 0.85 H new ATOM 0 HB2 GLN A 6 3.686 7.787 2.306 1.00 0.83 H new ATOM 0 HB3 GLN A 6 2.656 6.499 2.898 1.00 0.83 H new ATOM 0 HG2 GLN A 6 4.029 6.012 4.630 1.00 1.45 H new ATOM 0 HG3 GLN A 6 5.481 6.171 3.662 1.00 1.45 H new ATOM 0 HE21 GLN A 6 6.009 8.526 2.978 1.00 2.01 H new ATOM 0 HE22 GLN A 6 5.835 9.740 4.249 1.00 2.01 H new ATOM 93 N PHE A 7 2.316 4.576 0.671 1.00 0.74 N ATOM 94 CA PHE A 7 1.210 4.257 -0.209 1.00 0.78 C ATOM 95 C PHE A 7 -0.112 4.617 0.465 1.00 0.62 C ATOM 96 O PHE A 7 -0.275 4.435 1.677 1.00 0.55 O ATOM 97 CB PHE A 7 1.244 2.766 -0.578 1.00 0.86 C ATOM 98 CG PHE A 7 -0.049 2.248 -1.143 1.00 0.97 C ATOM 99 CD1 PHE A 7 -0.408 2.516 -2.453 1.00 0.98 C ATOM 100 CD2 PHE A 7 -0.910 1.503 -0.354 1.00 1.14 C ATOM 101 CE1 PHE A 7 -1.602 2.052 -2.967 1.00 1.17 C ATOM 102 CE2 PHE A 7 -2.104 1.034 -0.862 1.00 1.29 C ATOM 103 CZ PHE A 7 -2.452 1.309 -2.170 1.00 1.29 C ATOM 0 H PHE A 7 2.462 3.900 1.421 1.00 0.74 H new ATOM 0 HA PHE A 7 1.301 4.840 -1.125 1.00 0.78 H new ATOM 0 HB2 PHE A 7 2.039 2.600 -1.305 1.00 0.86 H new ATOM 0 HB3 PHE A 7 1.498 2.188 0.310 1.00 0.86 H new ATOM 0 HD1 PHE A 7 0.254 3.095 -3.080 1.00 0.98 H new ATOM 0 HD2 PHE A 7 -0.644 1.287 0.670 1.00 1.14 H new ATOM 0 HE1 PHE A 7 -1.871 2.269 -3.990 1.00 1.17 H new ATOM 0 HE2 PHE A 7 -2.766 0.452 -0.237 1.00 1.29 H new ATOM 0 HZ PHE A 7 -3.387 0.944 -2.569 1.00 1.29 H new ATOM 113 N LYS A 8 -1.045 5.124 -0.333 1.00 0.60 N ATOM 114 CA LYS A 8 -2.358 5.513 0.162 1.00 0.54 C ATOM 115 C LYS A 8 -3.457 4.819 -0.635 1.00 0.68 C ATOM 116 O LYS A 8 -3.332 4.631 -1.845 1.00 0.77 O ATOM 117 CB LYS A 8 -2.533 7.030 0.068 1.00 0.61 C ATOM 118 CG LYS A 8 -2.563 7.547 -1.360 1.00 1.40 C ATOM 119 CD LYS A 8 -1.300 8.320 -1.697 1.00 2.22 C ATOM 120 CE LYS A 8 -1.252 9.651 -0.965 1.00 1.88 C ATOM 121 NZ LYS A 8 -1.176 10.800 -1.908 1.00 2.42 N ATOM 0 H LYS A 8 -0.913 5.276 -1.333 1.00 0.60 H new ATOM 0 HA LYS A 8 -2.433 5.209 1.206 1.00 0.54 H new ATOM 0 HB2 LYS A 8 -3.459 7.313 0.568 1.00 0.61 H new ATOM 0 HB3 LYS A 8 -1.719 7.516 0.605 1.00 0.61 H new ATOM 0 HG2 LYS A 8 -2.674 6.710 -2.049 1.00 1.40 H new ATOM 0 HG3 LYS A 8 -3.432 8.190 -1.497 1.00 1.40 H new ATOM 0 HD2 LYS A 8 -0.426 7.725 -1.431 1.00 2.22 H new ATOM 0 HD3 LYS A 8 -1.253 8.493 -2.772 1.00 2.22 H new ATOM 0 HE2 LYS A 8 -2.138 9.753 -0.339 1.00 1.88 H new ATOM 0 HE3 LYS A 8 -0.388 9.669 -0.300 1.00 1.88 H new ATOM 0 HZ1 LYS A 8 -1.145 11.689 -1.370 1.00 2.42 H new ATOM 0 HZ2 LYS A 8 -0.317 10.716 -2.488 1.00 2.42 H new ATOM 0 HZ3 LYS A 8 -2.013 10.798 -2.526 1.00 2.42 H new ATOM 135 N LEU A 9 -4.538 4.448 0.046 1.00 0.86 N ATOM 136 CA LEU A 9 -5.665 3.782 -0.604 1.00 1.06 C ATOM 137 C LEU A 9 -6.041 4.509 -1.895 1.00 1.74 C ATOM 138 O LEU A 9 -6.481 5.658 -1.867 1.00 2.24 O ATOM 139 CB LEU A 9 -6.854 3.741 0.361 1.00 1.28 C ATOM 140 CG LEU A 9 -8.084 2.948 -0.104 1.00 1.38 C ATOM 141 CD1 LEU A 9 -8.743 3.624 -1.294 1.00 1.75 C ATOM 142 CD2 LEU A 9 -7.723 1.510 -0.436 1.00 1.96 C ATOM 0 H LEU A 9 -4.658 4.597 1.048 1.00 0.86 H new ATOM 0 HA LEU A 9 -5.382 2.762 -0.864 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -6.513 3.319 1.306 1.00 1.28 H new ATOM 0 HB3 LEU A 9 -7.165 4.766 0.564 1.00 1.28 H new ATOM 0 HG LEU A 9 -8.797 2.930 0.720 1.00 1.38 H new ATOM 0 HD11 LEU A 9 -9.612 3.045 -1.606 1.00 1.75 H new ATOM 0 HD12 LEU A 9 -9.059 4.629 -1.013 1.00 1.75 H new ATOM 0 HD13 LEU A 9 -8.032 3.684 -2.118 1.00 1.75 H new ATOM 0 HD21 LEU A 9 -8.616 0.977 -0.762 1.00 1.96 H new ATOM 0 HD22 LEU A 9 -6.981 1.496 -1.234 1.00 1.96 H new ATOM 0 HD23 LEU A 9 -7.313 1.024 0.449 1.00 1.96 H new ATOM 154 N SER A 10 -5.853 3.833 -3.024 1.00 2.11 N ATOM 155 CA SER A 10 -6.159 4.419 -4.322 1.00 2.83 C ATOM 156 C SER A 10 -7.389 3.770 -4.944 1.00 2.93 C ATOM 157 O SER A 10 -7.944 2.817 -4.397 1.00 3.26 O ATOM 158 CB SER A 10 -4.964 4.276 -5.265 1.00 3.76 C ATOM 159 OG SER A 10 -4.987 3.025 -5.930 1.00 4.49 O ATOM 0 H SER A 10 -5.491 2.880 -3.065 1.00 2.11 H new ATOM 0 HA SER A 10 -6.371 5.477 -4.168 1.00 2.83 H new ATOM 0 HB2 SER A 10 -4.977 5.082 -5.999 1.00 3.76 H new ATOM 0 HB3 SER A 10 -4.037 4.374 -4.700 1.00 3.76 H new ATOM 0 HG SER A 10 -4.214 2.958 -6.528 1.00 4.49 H new ATOM 165 N ASP A 11 -7.813 4.305 -6.092 1.00 3.22 N ATOM 166 CA ASP A 11 -8.986 3.803 -6.815 1.00 3.68 C ATOM 167 C ASP A 11 -10.279 4.430 -6.290 1.00 3.44 C ATOM 168 O ASP A 11 -11.314 4.375 -6.954 1.00 4.01 O ATOM 169 CB ASP A 11 -9.077 2.273 -6.743 1.00 4.18 C ATOM 170 CG ASP A 11 -9.786 1.681 -7.946 1.00 4.90 C ATOM 171 OD1 ASP A 11 -10.566 2.410 -8.595 1.00 5.41 O ATOM 172 OD2 ASP A 11 -9.560 0.488 -8.241 1.00 5.24 O ATOM 0 H ASP A 11 -7.355 5.096 -6.546 1.00 3.22 H new ATOM 0 HA ASP A 11 -8.862 4.093 -7.859 1.00 3.68 H new ATOM 0 HB2 ASP A 11 -8.073 1.854 -6.674 1.00 4.18 H new ATOM 0 HB3 ASP A 11 -9.606 1.985 -5.834 1.00 4.18 H new ATOM 177 N ILE A 12 -10.220 5.024 -5.099 1.00 2.82 N ATOM 178 CA ILE A 12 -11.388 5.653 -4.500 1.00 2.70 C ATOM 179 C ILE A 12 -11.242 7.173 -4.491 1.00 2.96 C ATOM 180 O ILE A 12 -10.134 7.704 -4.564 1.00 3.29 O ATOM 181 CB ILE A 12 -11.617 5.139 -3.057 1.00 2.58 C ATOM 182 CG1 ILE A 12 -12.011 3.664 -3.084 1.00 1.94 C ATOM 183 CG2 ILE A 12 -12.686 5.953 -2.338 1.00 3.25 C ATOM 184 CD1 ILE A 12 -10.861 2.739 -3.416 1.00 1.97 C ATOM 0 H ILE A 12 -9.374 5.081 -4.532 1.00 2.82 H new ATOM 0 HA ILE A 12 -12.253 5.386 -5.107 1.00 2.70 H new ATOM 0 HB ILE A 12 -10.683 5.254 -2.507 1.00 2.58 H new ATOM 0 HG12 ILE A 12 -12.421 3.388 -2.112 1.00 1.94 H new ATOM 0 HG13 ILE A 12 -12.805 3.521 -3.817 1.00 1.94 H new ATOM 0 HG21 ILE A 12 -12.821 5.565 -1.328 1.00 3.25 H new ATOM 0 HG22 ILE A 12 -12.376 6.997 -2.287 1.00 3.25 H new ATOM 0 HG23 ILE A 12 -13.627 5.880 -2.883 1.00 3.25 H new ATOM 0 HD11 ILE A 12 -11.213 1.707 -3.418 1.00 1.97 H new ATOM 0 HD12 ILE A 12 -10.465 2.989 -4.400 1.00 1.97 H new ATOM 0 HD13 ILE A 12 -10.075 2.853 -2.669 1.00 1.97 H new ATOM 196 N GLY A 13 -12.373 7.861 -4.396 1.00 3.15 N ATOM 197 CA GLY A 13 -12.366 9.311 -4.370 1.00 3.67 C ATOM 198 C GLY A 13 -12.857 9.860 -3.045 1.00 3.84 C ATOM 199 O GLY A 13 -13.761 9.295 -2.430 1.00 3.63 O ATOM 0 H GLY A 13 -13.299 7.438 -4.336 1.00 3.15 H new ATOM 0 HA2 GLY A 13 -11.355 9.672 -4.559 1.00 3.67 H new ATOM 0 HA3 GLY A 13 -12.995 9.691 -5.175 1.00 3.67 H new ATOM 203 N GLU A 14 -12.258 10.959 -2.601 1.00 4.49 N ATOM 204 CA GLU A 14 -12.639 11.578 -1.337 1.00 4.81 C ATOM 205 C GLU A 14 -14.110 11.985 -1.343 1.00 4.15 C ATOM 206 O GLU A 14 -14.441 13.143 -1.599 1.00 4.04 O ATOM 207 CB GLU A 14 -11.760 12.800 -1.060 1.00 5.76 C ATOM 208 CG GLU A 14 -10.577 12.504 -0.154 1.00 6.16 C ATOM 209 CD GLU A 14 -10.586 13.343 1.109 1.00 7.04 C ATOM 210 OE1 GLU A 14 -10.435 14.578 1.001 1.00 7.20 O ATOM 211 OE2 GLU A 14 -10.742 12.765 2.205 1.00 7.72 O ATOM 0 H GLU A 14 -11.507 11.439 -3.097 1.00 4.49 H new ATOM 0 HA GLU A 14 -12.492 10.843 -0.546 1.00 4.81 H new ATOM 0 HB2 GLU A 14 -11.392 13.195 -2.007 1.00 5.76 H new ATOM 0 HB3 GLU A 14 -12.370 13.580 -0.605 1.00 5.76 H new ATOM 0 HG2 GLU A 14 -10.586 11.448 0.116 1.00 6.16 H new ATOM 0 HG3 GLU A 14 -9.651 12.686 -0.700 1.00 6.16 H new ATOM 218 N GLY A 15 -14.989 11.029 -1.056 1.00 3.81 N ATOM 219 CA GLY A 15 -16.410 11.318 -1.032 1.00 3.32 C ATOM 220 C GLY A 15 -17.270 10.086 -1.246 1.00 2.93 C ATOM 221 O GLY A 15 -18.420 10.044 -0.808 1.00 3.13 O ATOM 0 H GLY A 15 -14.743 10.063 -0.840 1.00 3.81 H new ATOM 0 HA2 GLY A 15 -16.667 11.772 -0.075 1.00 3.32 H new ATOM 0 HA3 GLY A 15 -16.639 12.052 -1.804 1.00 3.32 H new ATOM 225 N ILE A 16 -16.721 9.084 -1.924 1.00 2.53 N ATOM 226 CA ILE A 16 -17.460 7.855 -2.194 1.00 2.22 C ATOM 227 C ILE A 16 -17.121 6.762 -1.181 1.00 1.91 C ATOM 228 O ILE A 16 -16.565 7.036 -0.117 1.00 1.88 O ATOM 229 CB ILE A 16 -17.191 7.341 -3.629 1.00 2.22 C ATOM 230 CG1 ILE A 16 -15.778 6.762 -3.758 1.00 2.32 C ATOM 231 CG2 ILE A 16 -17.391 8.466 -4.633 1.00 2.54 C ATOM 232 CD1 ILE A 16 -15.602 5.880 -4.973 1.00 2.22 C ATOM 0 H ILE A 16 -15.771 9.098 -2.295 1.00 2.53 H new ATOM 0 HA ILE A 16 -18.519 8.096 -2.101 1.00 2.22 H new ATOM 0 HB ILE A 16 -17.902 6.542 -3.840 1.00 2.22 H new ATOM 0 HG12 ILE A 16 -15.060 7.581 -3.805 1.00 2.32 H new ATOM 0 HG13 ILE A 16 -15.546 6.186 -2.862 1.00 2.32 H new ATOM 0 HG21 ILE A 16 -17.199 8.094 -5.639 1.00 2.54 H new ATOM 0 HG22 ILE A 16 -18.416 8.832 -4.570 1.00 2.54 H new ATOM 0 HG23 ILE A 16 -16.701 9.280 -4.410 1.00 2.54 H new ATOM 0 HD11 ILE A 16 -14.580 5.503 -5.004 1.00 2.22 H new ATOM 0 HD12 ILE A 16 -16.296 5.042 -4.918 1.00 2.22 H new ATOM 0 HD13 ILE A 16 -15.803 6.458 -5.875 1.00 2.22 H new ATOM 244 N ARG A 17 -17.462 5.522 -1.523 1.00 1.82 N ATOM 245 CA ARG A 17 -17.202 4.382 -0.655 1.00 1.64 C ATOM 246 C ARG A 17 -15.714 4.046 -0.607 1.00 1.22 C ATOM 247 O ARG A 17 -14.974 4.307 -1.556 1.00 1.14 O ATOM 248 CB ARG A 17 -17.992 3.164 -1.135 1.00 1.77 C ATOM 249 CG ARG A 17 -18.525 2.297 -0.004 1.00 2.27 C ATOM 250 CD ARG A 17 -20.037 2.150 -0.075 1.00 2.75 C ATOM 251 NE ARG A 17 -20.448 0.751 -0.151 1.00 3.16 N ATOM 252 CZ ARG A 17 -20.543 -0.047 0.908 1.00 3.76 C ATOM 253 NH1 ARG A 17 -20.250 0.413 2.116 1.00 4.04 N ATOM 254 NH2 ARG A 17 -20.931 -1.306 0.757 1.00 4.40 N ATOM 0 H ARG A 17 -17.922 5.283 -2.401 1.00 1.82 H new ATOM 0 HA ARG A 17 -17.523 4.650 0.352 1.00 1.64 H new ATOM 0 HB2 ARG A 17 -18.828 3.502 -1.747 1.00 1.77 H new ATOM 0 HB3 ARG A 17 -17.353 2.557 -1.776 1.00 1.77 H new ATOM 0 HG2 ARG A 17 -18.061 1.312 -0.050 1.00 2.27 H new ATOM 0 HG3 ARG A 17 -18.246 2.736 0.954 1.00 2.27 H new ATOM 0 HD2 ARG A 17 -20.488 2.613 0.803 1.00 2.75 H new ATOM 0 HD3 ARG A 17 -20.413 2.686 -0.947 1.00 2.75 H new ATOM 0 HE ARG A 17 -20.675 0.365 -1.067 1.00 3.16 H new ATOM 0 HH11 ARG A 17 -19.951 1.381 2.234 1.00 4.04 H new ATOM 0 HH12 ARG A 17 -20.324 -0.201 2.927 1.00 4.04 H new ATOM 0 HH21 ARG A 17 -21.157 -1.662 -0.172 1.00 4.40 H new ATOM 0 HH22 ARG A 17 -21.004 -1.918 1.570 1.00 4.40 H new ATOM 268 N GLU A 18 -15.288 3.459 0.507 1.00 1.16 N ATOM 269 CA GLU A 18 -13.893 3.075 0.692 1.00 0.91 C ATOM 270 C GLU A 18 -13.709 1.585 0.412 1.00 0.63 C ATOM 271 O GLU A 18 -14.685 0.872 0.175 1.00 0.66 O ATOM 272 CB GLU A 18 -13.438 3.410 2.111 1.00 1.29 C ATOM 273 CG GLU A 18 -13.155 4.890 2.321 1.00 1.64 C ATOM 274 CD GLU A 18 -14.221 5.582 3.150 1.00 1.83 C ATOM 275 OE1 GLU A 18 -15.113 4.884 3.676 1.00 2.17 O ATOM 276 OE2 GLU A 18 -14.164 6.824 3.272 1.00 2.11 O ATOM 0 H GLU A 18 -15.892 3.238 1.299 1.00 1.16 H new ATOM 0 HA GLU A 18 -13.280 3.637 -0.013 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -14.206 3.091 2.816 1.00 1.29 H new ATOM 0 HB3 GLU A 18 -12.538 2.839 2.340 1.00 1.29 H new ATOM 0 HG2 GLU A 18 -12.189 5.004 2.812 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -13.080 5.382 1.351 1.00 1.64 H new ATOM 283 N VAL A 19 -12.461 1.114 0.421 1.00 0.63 N ATOM 284 CA VAL A 19 -12.192 -0.298 0.143 1.00 0.57 C ATOM 285 C VAL A 19 -11.238 -0.922 1.161 1.00 0.41 C ATOM 286 O VAL A 19 -10.373 -0.246 1.717 1.00 0.47 O ATOM 287 CB VAL A 19 -11.609 -0.488 -1.275 1.00 0.93 C ATOM 288 CG1 VAL A 19 -10.180 0.033 -1.353 1.00 1.51 C ATOM 289 CG2 VAL A 19 -11.673 -1.951 -1.687 1.00 1.16 C ATOM 0 H VAL A 19 -11.633 1.678 0.614 1.00 0.63 H new ATOM 0 HA VAL A 19 -13.153 -0.807 0.216 1.00 0.57 H new ATOM 0 HB VAL A 19 -12.215 0.092 -1.971 1.00 0.93 H new ATOM 0 HG11 VAL A 19 -9.794 -0.113 -2.362 1.00 1.51 H new ATOM 0 HG12 VAL A 19 -10.166 1.095 -1.110 1.00 1.51 H new ATOM 0 HG13 VAL A 19 -9.556 -0.510 -0.643 1.00 1.51 H new ATOM 0 HG21 VAL A 19 -11.258 -2.065 -2.688 1.00 1.16 H new ATOM 0 HG22 VAL A 19 -11.096 -2.552 -0.984 1.00 1.16 H new ATOM 0 HG23 VAL A 19 -12.711 -2.285 -1.684 1.00 1.16 H new ATOM 299 N THR A 20 -11.401 -2.225 1.383 1.00 0.37 N ATOM 300 CA THR A 20 -10.559 -2.962 2.317 1.00 0.30 C ATOM 301 C THR A 20 -9.493 -3.753 1.569 1.00 0.33 C ATOM 302 O THR A 20 -9.584 -3.960 0.358 1.00 0.65 O ATOM 303 CB THR A 20 -11.421 -3.897 3.227 1.00 0.43 C ATOM 304 OG1 THR A 20 -11.639 -3.270 4.487 1.00 0.69 O ATOM 305 CG2 THR A 20 -10.796 -5.264 3.489 1.00 0.54 C ATOM 0 H THR A 20 -12.114 -2.793 0.925 1.00 0.37 H new ATOM 0 HA THR A 20 -10.055 -2.244 2.963 1.00 0.30 H new ATOM 0 HB THR A 20 -12.350 -4.061 2.681 1.00 0.43 H new ATOM 0 HG1 THR A 20 -11.719 -3.955 5.184 1.00 0.69 H new ATOM 0 HG21 THR A 20 -11.457 -5.850 4.128 1.00 0.54 H new ATOM 0 HG22 THR A 20 -10.650 -5.785 2.543 1.00 0.54 H new ATOM 0 HG23 THR A 20 -9.834 -5.135 3.984 1.00 0.54 H new ATOM 313 N VAL A 21 -8.494 -4.202 2.313 1.00 0.28 N ATOM 314 CA VAL A 21 -7.414 -4.988 1.735 1.00 0.25 C ATOM 315 C VAL A 21 -7.847 -6.439 1.555 1.00 0.29 C ATOM 316 O VAL A 21 -8.484 -7.019 2.434 1.00 0.33 O ATOM 317 CB VAL A 21 -6.149 -4.939 2.610 1.00 0.29 C ATOM 318 CG1 VAL A 21 -4.994 -5.644 1.918 1.00 1.39 C ATOM 319 CG2 VAL A 21 -5.785 -3.499 2.938 1.00 1.21 C ATOM 0 H VAL A 21 -8.408 -4.036 3.316 1.00 0.28 H new ATOM 0 HA VAL A 21 -7.180 -4.553 0.763 1.00 0.25 H new ATOM 0 HB VAL A 21 -6.354 -5.461 3.545 1.00 0.29 H new ATOM 0 HG11 VAL A 21 -4.108 -5.599 2.552 1.00 1.39 H new ATOM 0 HG12 VAL A 21 -5.259 -6.686 1.738 1.00 1.39 H new ATOM 0 HG13 VAL A 21 -4.785 -5.153 0.967 1.00 1.39 H new ATOM 0 HG21 VAL A 21 -4.888 -3.482 3.557 1.00 1.21 H new ATOM 0 HG22 VAL A 21 -5.598 -2.951 2.014 1.00 1.21 H new ATOM 0 HG23 VAL A 21 -6.607 -3.030 3.478 1.00 1.21 H new ATOM 329 N LYS A 22 -7.510 -7.017 0.408 1.00 0.36 N ATOM 330 CA LYS A 22 -7.877 -8.398 0.113 1.00 0.46 C ATOM 331 C LYS A 22 -6.680 -9.331 0.264 1.00 0.52 C ATOM 332 O LYS A 22 -6.835 -10.500 0.617 1.00 0.66 O ATOM 333 CB LYS A 22 -8.445 -8.505 -1.304 1.00 0.52 C ATOM 334 CG LYS A 22 -9.338 -9.717 -1.513 1.00 0.78 C ATOM 335 CD LYS A 22 -10.810 -9.337 -1.486 1.00 1.48 C ATOM 336 CE LYS A 22 -11.702 -10.558 -1.643 1.00 2.16 C ATOM 337 NZ LYS A 22 -12.979 -10.413 -0.889 1.00 2.95 N ATOM 0 H LYS A 22 -6.984 -6.552 -0.332 1.00 0.36 H new ATOM 0 HA LYS A 22 -8.640 -8.702 0.830 1.00 0.46 H new ATOM 0 HB2 LYS A 22 -9.014 -7.602 -1.527 1.00 0.52 H new ATOM 0 HB3 LYS A 22 -7.620 -8.546 -2.015 1.00 0.52 H new ATOM 0 HG2 LYS A 22 -9.100 -10.185 -2.468 1.00 0.78 H new ATOM 0 HG3 LYS A 22 -9.138 -10.456 -0.737 1.00 0.78 H new ATOM 0 HD2 LYS A 22 -11.040 -8.835 -0.546 1.00 1.48 H new ATOM 0 HD3 LYS A 22 -11.019 -8.627 -2.286 1.00 1.48 H new ATOM 0 HE2 LYS A 22 -11.920 -10.715 -2.699 1.00 2.16 H new ATOM 0 HE3 LYS A 22 -11.171 -11.443 -1.292 1.00 2.16 H new ATOM 0 HZ1 LYS A 22 -13.559 -11.266 -1.022 1.00 2.95 H new ATOM 0 HZ2 LYS A 22 -12.773 -10.288 0.123 1.00 2.95 H new ATOM 0 HZ3 LYS A 22 -13.498 -9.583 -1.241 1.00 2.95 H new ATOM 351 N GLU A 23 -5.486 -8.813 -0.009 1.00 0.46 N ATOM 352 CA GLU A 23 -4.271 -9.613 0.095 1.00 0.56 C ATOM 353 C GLU A 23 -3.130 -8.820 0.727 1.00 0.42 C ATOM 354 O GLU A 23 -2.760 -7.749 0.246 1.00 0.42 O ATOM 355 CB GLU A 23 -3.847 -10.118 -1.286 1.00 0.73 C ATOM 356 CG GLU A 23 -5.017 -10.497 -2.179 1.00 1.09 C ATOM 357 CD GLU A 23 -4.663 -11.587 -3.170 1.00 1.33 C ATOM 358 OE1 GLU A 23 -3.478 -11.980 -3.224 1.00 1.63 O ATOM 359 OE2 GLU A 23 -5.570 -12.048 -3.894 1.00 2.13 O ATOM 0 H GLU A 23 -5.335 -7.848 -0.302 1.00 0.46 H new ATOM 0 HA GLU A 23 -4.492 -10.464 0.740 1.00 0.56 H new ATOM 0 HB2 GLU A 23 -3.258 -9.346 -1.781 1.00 0.73 H new ATOM 0 HB3 GLU A 23 -3.198 -10.985 -1.163 1.00 0.73 H new ATOM 0 HG2 GLU A 23 -5.849 -10.831 -1.559 1.00 1.09 H new ATOM 0 HG3 GLU A 23 -5.357 -9.614 -2.721 1.00 1.09 H new ATOM 366 N TRP A 24 -2.571 -9.366 1.801 1.00 0.35 N ATOM 367 CA TRP A 24 -1.462 -8.729 2.503 1.00 0.26 C ATOM 368 C TRP A 24 -0.246 -9.650 2.503 1.00 0.24 C ATOM 369 O TRP A 24 -0.298 -10.755 3.045 1.00 0.33 O ATOM 370 CB TRP A 24 -1.872 -8.388 3.938 1.00 0.37 C ATOM 371 CG TRP A 24 -2.345 -6.976 4.099 1.00 0.43 C ATOM 372 CD1 TRP A 24 -3.620 -6.565 4.357 1.00 0.75 C ATOM 373 CD2 TRP A 24 -1.550 -5.788 4.011 1.00 0.36 C ATOM 374 NE1 TRP A 24 -3.667 -5.195 4.437 1.00 0.74 N ATOM 375 CE2 TRP A 24 -2.409 -4.694 4.227 1.00 0.47 C ATOM 376 CE3 TRP A 24 -0.195 -5.541 3.771 1.00 0.61 C ATOM 377 CZ2 TRP A 24 -1.958 -3.377 4.212 1.00 0.52 C ATOM 378 CZ3 TRP A 24 0.252 -4.233 3.756 1.00 0.83 C ATOM 379 CH2 TRP A 24 -0.628 -3.166 3.974 1.00 0.70 C ATOM 0 H TRP A 24 -2.869 -10.253 2.207 1.00 0.35 H new ATOM 0 HA TRP A 24 -1.201 -7.805 1.987 1.00 0.26 H new ATOM 0 HB2 TRP A 24 -2.664 -9.067 4.253 1.00 0.37 H new ATOM 0 HB3 TRP A 24 -1.024 -8.558 4.601 1.00 0.37 H new ATOM 0 HD1 TRP A 24 -4.469 -7.221 4.480 1.00 0.75 H new ATOM 0 HE1 TRP A 24 -4.503 -4.640 4.623 1.00 0.74 H new ATOM 0 HE3 TRP A 24 0.491 -6.358 3.600 1.00 0.61 H new ATOM 0 HZ2 TRP A 24 -2.634 -2.552 4.382 1.00 0.52 H new ATOM 0 HZ3 TRP A 24 1.297 -4.031 3.573 1.00 0.83 H new ATOM 0 HH2 TRP A 24 -0.248 -2.155 3.954 1.00 0.70 H new ATOM 390 N TYR A 25 0.842 -9.203 1.879 1.00 0.20 N ATOM 391 CA TYR A 25 2.055 -10.012 1.802 1.00 0.31 C ATOM 392 C TYR A 25 3.263 -9.280 2.381 1.00 0.27 C ATOM 393 O TYR A 25 4.386 -9.449 1.906 1.00 0.36 O ATOM 394 CB TYR A 25 2.332 -10.405 0.350 1.00 0.42 C ATOM 395 CG TYR A 25 1.817 -11.779 -0.012 1.00 0.70 C ATOM 396 CD1 TYR A 25 2.597 -12.910 0.193 1.00 1.16 C ATOM 397 CD2 TYR A 25 0.550 -11.945 -0.555 1.00 1.07 C ATOM 398 CE1 TYR A 25 2.128 -14.169 -0.133 1.00 1.44 C ATOM 399 CE2 TYR A 25 0.074 -13.201 -0.884 1.00 1.34 C ATOM 400 CZ TYR A 25 0.867 -14.309 -0.671 1.00 1.36 C ATOM 401 OH TYR A 25 0.396 -15.560 -0.996 1.00 1.72 O ATOM 0 H TYR A 25 0.908 -8.293 1.423 1.00 0.20 H new ATOM 0 HA TYR A 25 1.891 -10.909 2.399 1.00 0.31 H new ATOM 0 HB2 TYR A 25 1.875 -9.669 -0.311 1.00 0.42 H new ATOM 0 HB3 TYR A 25 3.407 -10.370 0.171 1.00 0.42 H new ATOM 0 HD1 TYR A 25 3.586 -12.804 0.614 1.00 1.16 H new ATOM 0 HD2 TYR A 25 -0.074 -11.079 -0.723 1.00 1.07 H new ATOM 0 HE1 TYR A 25 2.747 -15.038 0.033 1.00 1.44 H new ATOM 0 HE2 TYR A 25 -0.914 -13.314 -1.306 1.00 1.34 H new ATOM 0 HH TYR A 25 -0.510 -15.484 -1.363 1.00 1.72 H new ATOM 411 N VAL A 26 3.030 -8.476 3.411 1.00 0.22 N ATOM 412 CA VAL A 26 4.106 -7.730 4.054 1.00 0.22 C ATOM 413 C VAL A 26 3.731 -7.361 5.486 1.00 0.22 C ATOM 414 O VAL A 26 2.551 -7.295 5.830 1.00 0.31 O ATOM 415 CB VAL A 26 4.463 -6.455 3.259 1.00 0.28 C ATOM 416 CG1 VAL A 26 4.731 -6.798 1.806 1.00 0.50 C ATOM 417 CG2 VAL A 26 3.356 -5.414 3.368 1.00 0.40 C ATOM 0 H VAL A 26 2.108 -8.324 3.819 1.00 0.22 H new ATOM 0 HA VAL A 26 4.982 -8.378 4.074 1.00 0.22 H new ATOM 0 HB VAL A 26 5.369 -6.028 3.690 1.00 0.28 H new ATOM 0 HG11 VAL A 26 4.981 -5.890 1.258 1.00 0.50 H new ATOM 0 HG12 VAL A 26 5.563 -7.499 1.745 1.00 0.50 H new ATOM 0 HG13 VAL A 26 3.841 -7.252 1.369 1.00 0.50 H new ATOM 0 HG21 VAL A 26 3.634 -4.527 2.799 1.00 0.40 H new ATOM 0 HG22 VAL A 26 2.429 -5.826 2.969 1.00 0.40 H new ATOM 0 HG23 VAL A 26 3.212 -5.144 4.414 1.00 0.40 H new ATOM 427 N LYS A 27 4.739 -7.131 6.319 1.00 0.24 N ATOM 428 CA LYS A 27 4.506 -6.781 7.715 1.00 0.26 C ATOM 429 C LYS A 27 5.381 -5.611 8.147 1.00 0.29 C ATOM 430 O LYS A 27 6.299 -5.207 7.434 1.00 0.42 O ATOM 431 CB LYS A 27 4.776 -7.990 8.613 1.00 0.38 C ATOM 432 CG LYS A 27 3.573 -8.416 9.438 1.00 0.61 C ATOM 433 CD LYS A 27 2.615 -9.269 8.623 1.00 0.99 C ATOM 434 CE LYS A 27 1.500 -9.835 9.487 1.00 1.52 C ATOM 435 NZ LYS A 27 1.066 -11.181 9.021 1.00 1.89 N ATOM 0 H LYS A 27 5.723 -7.180 6.053 1.00 0.24 H new ATOM 0 HA LYS A 27 3.463 -6.481 7.815 1.00 0.26 H new ATOM 0 HB2 LYS A 27 5.096 -8.828 7.994 1.00 0.38 H new ATOM 0 HB3 LYS A 27 5.602 -7.756 9.285 1.00 0.38 H new ATOM 0 HG2 LYS A 27 3.909 -8.976 10.311 1.00 0.61 H new ATOM 0 HG3 LYS A 27 3.052 -7.533 9.807 1.00 0.61 H new ATOM 0 HD2 LYS A 27 2.186 -8.670 7.820 1.00 0.99 H new ATOM 0 HD3 LYS A 27 3.163 -10.086 8.153 1.00 0.99 H new ATOM 0 HE2 LYS A 27 1.839 -9.901 10.521 1.00 1.52 H new ATOM 0 HE3 LYS A 27 0.649 -9.154 9.473 1.00 1.52 H new ATOM 0 HZ1 LYS A 27 0.305 -11.532 9.636 1.00 1.89 H new ATOM 0 HZ2 LYS A 27 0.718 -11.114 8.043 1.00 1.89 H new ATOM 0 HZ3 LYS A 27 1.872 -11.838 9.058 1.00 1.89 H new ATOM 449 N GLU A 28 5.087 -5.078 9.327 1.00 0.30 N ATOM 450 CA GLU A 28 5.844 -3.955 9.872 1.00 0.34 C ATOM 451 C GLU A 28 7.303 -4.344 10.074 1.00 0.38 C ATOM 452 O GLU A 28 7.600 -5.424 10.585 1.00 0.42 O ATOM 453 CB GLU A 28 5.245 -3.493 11.204 1.00 0.42 C ATOM 454 CG GLU A 28 3.733 -3.631 11.285 1.00 0.35 C ATOM 455 CD GLU A 28 3.132 -2.786 12.390 1.00 1.10 C ATOM 456 OE1 GLU A 28 3.742 -2.709 13.477 1.00 1.23 O ATOM 457 OE2 GLU A 28 2.052 -2.200 12.168 1.00 2.03 O ATOM 0 H GLU A 28 4.329 -5.405 9.926 1.00 0.30 H new ATOM 0 HA GLU A 28 5.789 -3.134 9.158 1.00 0.34 H new ATOM 0 HB2 GLU A 28 5.696 -4.069 12.012 1.00 0.42 H new ATOM 0 HB3 GLU A 28 5.513 -2.449 11.368 1.00 0.42 H new ATOM 0 HG2 GLU A 28 3.293 -3.342 10.331 1.00 0.35 H new ATOM 0 HG3 GLU A 28 3.475 -4.677 11.451 1.00 0.35 H new ATOM 464 N GLY A 29 8.213 -3.467 9.661 1.00 0.39 N ATOM 465 CA GLY A 29 9.627 -3.760 9.801 1.00 0.45 C ATOM 466 C GLY A 29 10.110 -4.796 8.800 1.00 0.40 C ATOM 467 O GLY A 29 11.268 -5.212 8.840 1.00 0.44 O ATOM 0 H GLY A 29 7.998 -2.565 9.235 1.00 0.39 H new ATOM 0 HA2 GLY A 29 10.199 -2.841 9.672 1.00 0.45 H new ATOM 0 HA3 GLY A 29 9.822 -4.118 10.812 1.00 0.45 H new ATOM 471 N ASP A 30 9.216 -5.229 7.911 1.00 0.34 N ATOM 472 CA ASP A 30 9.549 -6.238 6.913 1.00 0.31 C ATOM 473 C ASP A 30 9.933 -5.601 5.584 1.00 0.25 C ATOM 474 O ASP A 30 9.520 -4.483 5.276 1.00 0.24 O ATOM 475 CB ASP A 30 8.368 -7.186 6.710 1.00 0.31 C ATOM 476 CG ASP A 30 8.781 -8.644 6.765 1.00 0.91 C ATOM 477 OD1 ASP A 30 9.680 -9.035 5.992 1.00 1.36 O ATOM 478 OD2 ASP A 30 8.206 -9.393 7.582 1.00 1.27 O ATOM 0 H ASP A 30 8.254 -4.894 7.864 1.00 0.34 H new ATOM 0 HA ASP A 30 10.408 -6.800 7.281 1.00 0.31 H new ATOM 0 HB2 ASP A 30 7.616 -6.995 7.476 1.00 0.31 H new ATOM 0 HB3 ASP A 30 7.901 -6.979 5.747 1.00 0.31 H new ATOM 483 N THR A 31 10.725 -6.324 4.798 1.00 0.23 N ATOM 484 CA THR A 31 11.161 -5.831 3.499 1.00 0.18 C ATOM 485 C THR A 31 10.325 -6.424 2.370 1.00 0.18 C ATOM 486 O THR A 31 9.838 -7.551 2.464 1.00 0.30 O ATOM 487 CB THR A 31 12.644 -6.148 3.237 1.00 0.19 C ATOM 488 OG1 THR A 31 13.429 -5.823 4.391 1.00 0.31 O ATOM 489 CG2 THR A 31 13.152 -5.368 2.035 1.00 0.30 C ATOM 0 H THR A 31 11.076 -7.251 5.038 1.00 0.23 H new ATOM 0 HA THR A 31 11.027 -4.750 3.521 1.00 0.18 H new ATOM 0 HB THR A 31 12.736 -7.214 3.029 1.00 0.19 H new ATOM 0 HG1 THR A 31 14.371 -6.030 4.215 1.00 0.31 H new ATOM 0 HG21 THR A 31 14.202 -5.605 1.865 1.00 0.30 H new ATOM 0 HG22 THR A 31 12.571 -5.639 1.153 1.00 0.30 H new ATOM 0 HG23 THR A 31 13.047 -4.300 2.224 1.00 0.30 H new ATOM 497 N VAL A 32 10.169 -5.650 1.305 1.00 0.14 N ATOM 498 CA VAL A 32 9.400 -6.069 0.141 1.00 0.14 C ATOM 499 C VAL A 32 10.325 -6.435 -1.012 1.00 0.14 C ATOM 500 O VAL A 32 11.503 -6.077 -1.011 1.00 0.18 O ATOM 501 CB VAL A 32 8.412 -4.974 -0.341 1.00 0.20 C ATOM 502 CG1 VAL A 32 6.982 -5.423 -0.118 1.00 0.28 C ATOM 503 CG2 VAL A 32 8.657 -3.633 0.344 1.00 0.18 C ATOM 0 H VAL A 32 10.571 -4.716 1.223 1.00 0.14 H new ATOM 0 HA VAL A 32 8.823 -6.940 0.452 1.00 0.14 H new ATOM 0 HB VAL A 32 8.584 -4.829 -1.408 1.00 0.20 H new ATOM 0 HG11 VAL A 32 6.299 -4.646 -0.460 1.00 0.28 H new ATOM 0 HG12 VAL A 32 6.797 -6.340 -0.677 1.00 0.28 H new ATOM 0 HG13 VAL A 32 6.820 -5.606 0.944 1.00 0.28 H new ATOM 0 HG21 VAL A 32 7.941 -2.899 -0.026 1.00 0.18 H new ATOM 0 HG22 VAL A 32 8.536 -3.747 1.421 1.00 0.18 H new ATOM 0 HG23 VAL A 32 9.670 -3.293 0.127 1.00 0.18 H new ATOM 513 N SER A 33 9.782 -7.147 -1.995 1.00 0.23 N ATOM 514 CA SER A 33 10.554 -7.562 -3.160 1.00 0.31 C ATOM 515 C SER A 33 9.730 -7.421 -4.437 1.00 0.33 C ATOM 516 O SER A 33 8.510 -7.262 -4.386 1.00 0.35 O ATOM 517 CB SER A 33 11.020 -9.010 -2.996 1.00 0.38 C ATOM 518 OG SER A 33 12.367 -9.163 -3.408 1.00 1.42 O ATOM 0 H SER A 33 8.808 -7.449 -2.007 1.00 0.23 H new ATOM 0 HA SER A 33 11.426 -6.913 -3.239 1.00 0.31 H new ATOM 0 HB2 SER A 33 10.919 -9.312 -1.953 1.00 0.38 H new ATOM 0 HB3 SER A 33 10.380 -9.670 -3.582 1.00 0.38 H new ATOM 0 HG SER A 33 12.833 -8.304 -3.329 1.00 1.42 H new ATOM 524 N GLN A 34 10.405 -7.477 -5.580 1.00 0.37 N ATOM 525 CA GLN A 34 9.737 -7.354 -6.871 1.00 0.41 C ATOM 526 C GLN A 34 8.615 -8.377 -7.006 1.00 0.43 C ATOM 527 O GLN A 34 7.661 -8.171 -7.756 1.00 0.52 O ATOM 528 CB GLN A 34 10.745 -7.532 -8.007 1.00 0.44 C ATOM 529 CG GLN A 34 11.615 -6.308 -8.240 1.00 0.76 C ATOM 530 CD GLN A 34 12.084 -6.197 -9.676 1.00 1.54 C ATOM 531 OE1 GLN A 34 11.884 -5.173 -10.330 1.00 2.38 O ATOM 532 NE2 GLN A 34 12.711 -7.256 -10.176 1.00 1.72 N ATOM 0 H GLN A 34 11.415 -7.607 -5.639 1.00 0.37 H new ATOM 0 HA GLN A 34 9.301 -6.357 -6.932 1.00 0.41 H new ATOM 0 HB2 GLN A 34 11.385 -8.386 -7.785 1.00 0.44 H new ATOM 0 HB3 GLN A 34 10.208 -7.767 -8.926 1.00 0.44 H new ATOM 0 HG2 GLN A 34 11.055 -5.412 -7.973 1.00 0.76 H new ATOM 0 HG3 GLN A 34 12.481 -6.351 -7.580 1.00 0.76 H new ATOM 0 HE21 GLN A 34 12.855 -8.084 -9.598 1.00 1.72 H new ATOM 0 HE22 GLN A 34 13.049 -7.241 -11.138 1.00 1.72 H new ATOM 541 N PHE A 35 8.734 -9.479 -6.274 1.00 0.43 N ATOM 542 CA PHE A 35 7.728 -10.533 -6.312 1.00 0.48 C ATOM 543 C PHE A 35 6.812 -10.467 -5.091 1.00 0.43 C ATOM 544 O PHE A 35 5.713 -11.021 -5.101 1.00 0.47 O ATOM 545 CB PHE A 35 8.401 -11.905 -6.381 1.00 0.58 C ATOM 546 CG PHE A 35 7.681 -12.882 -7.266 1.00 0.99 C ATOM 547 CD1 PHE A 35 7.763 -12.778 -8.646 1.00 1.12 C ATOM 548 CD2 PHE A 35 6.924 -13.904 -6.718 1.00 1.86 C ATOM 549 CE1 PHE A 35 7.101 -13.676 -9.462 1.00 1.64 C ATOM 550 CE2 PHE A 35 6.259 -14.804 -7.529 1.00 2.52 C ATOM 551 CZ PHE A 35 6.349 -14.691 -8.903 1.00 2.31 C ATOM 0 H PHE A 35 9.517 -9.665 -5.647 1.00 0.43 H new ATOM 0 HA PHE A 35 7.121 -10.384 -7.205 1.00 0.48 H new ATOM 0 HB2 PHE A 35 9.422 -11.782 -6.744 1.00 0.58 H new ATOM 0 HB3 PHE A 35 8.468 -12.319 -5.375 1.00 0.58 H new ATOM 0 HD1 PHE A 35 8.350 -11.987 -9.088 1.00 1.12 H new ATOM 0 HD2 PHE A 35 6.853 -13.999 -5.645 1.00 1.86 H new ATOM 0 HE1 PHE A 35 7.172 -13.584 -10.536 1.00 1.64 H new ATOM 0 HE2 PHE A 35 5.670 -15.595 -7.089 1.00 2.52 H new ATOM 0 HZ PHE A 35 5.832 -15.395 -9.539 1.00 2.31 H new ATOM 561 N ASP A 36 7.270 -9.793 -4.040 1.00 0.36 N ATOM 562 CA ASP A 36 6.487 -9.665 -2.816 1.00 0.34 C ATOM 563 C ASP A 36 5.703 -8.357 -2.795 1.00 0.25 C ATOM 564 O ASP A 36 6.246 -7.301 -2.471 1.00 0.21 O ATOM 565 CB ASP A 36 7.403 -9.741 -1.592 1.00 0.41 C ATOM 566 CG ASP A 36 6.952 -10.790 -0.596 1.00 0.76 C ATOM 567 OD1 ASP A 36 6.614 -11.912 -1.029 1.00 0.84 O ATOM 568 OD2 ASP A 36 6.936 -10.490 0.616 1.00 1.69 O ATOM 0 H ASP A 36 8.177 -9.328 -4.012 1.00 0.36 H new ATOM 0 HA ASP A 36 5.775 -10.490 -2.787 1.00 0.34 H new ATOM 0 HB2 ASP A 36 8.419 -9.965 -1.916 1.00 0.41 H new ATOM 0 HB3 ASP A 36 7.432 -8.768 -1.102 1.00 0.41 H new ATOM 573 N SER A 37 4.419 -8.435 -3.133 1.00 0.26 N ATOM 574 CA SER A 37 3.558 -7.258 -3.143 1.00 0.21 C ATOM 575 C SER A 37 3.290 -6.780 -1.720 1.00 0.23 C ATOM 576 O SER A 37 3.443 -7.542 -0.765 1.00 0.28 O ATOM 577 CB SER A 37 2.236 -7.571 -3.845 1.00 0.25 C ATOM 578 OG SER A 37 1.852 -8.919 -3.631 1.00 0.94 O ATOM 0 H SER A 37 3.953 -9.301 -3.403 1.00 0.26 H new ATOM 0 HA SER A 37 4.069 -6.465 -3.689 1.00 0.21 H new ATOM 0 HB2 SER A 37 1.457 -6.904 -3.475 1.00 0.25 H new ATOM 0 HB3 SER A 37 2.335 -7.383 -4.914 1.00 0.25 H new ATOM 0 HG SER A 37 0.921 -9.042 -3.910 1.00 0.94 H new ATOM 584 N ILE A 38 2.892 -5.520 -1.579 1.00 0.22 N ATOM 585 CA ILE A 38 2.610 -4.960 -0.262 1.00 0.27 C ATOM 586 C ILE A 38 1.150 -5.171 0.127 1.00 0.27 C ATOM 587 O ILE A 38 0.841 -6.016 0.971 1.00 0.27 O ATOM 588 CB ILE A 38 2.956 -3.458 -0.196 1.00 0.32 C ATOM 589 CG1 ILE A 38 4.391 -3.238 -0.696 1.00 0.36 C ATOM 590 CG2 ILE A 38 2.783 -2.943 1.229 1.00 0.34 C ATOM 591 CD1 ILE A 38 4.982 -1.886 -0.343 1.00 0.47 C ATOM 0 H ILE A 38 2.758 -4.871 -2.354 1.00 0.22 H new ATOM 0 HA ILE A 38 3.244 -5.490 0.449 1.00 0.27 H new ATOM 0 HB ILE A 38 2.277 -2.898 -0.839 1.00 0.32 H new ATOM 0 HG12 ILE A 38 5.030 -4.018 -0.282 1.00 0.36 H new ATOM 0 HG13 ILE A 38 4.406 -3.355 -1.780 1.00 0.36 H new ATOM 0 HG21 ILE A 38 3.030 -1.882 1.265 1.00 0.34 H new ATOM 0 HG22 ILE A 38 1.750 -3.086 1.545 1.00 0.34 H new ATOM 0 HG23 ILE A 38 3.446 -3.492 1.897 1.00 0.34 H new ATOM 0 HD11 ILE A 38 5.997 -1.819 -0.736 1.00 0.47 H new ATOM 0 HD12 ILE A 38 4.371 -1.096 -0.780 1.00 0.47 H new ATOM 0 HD13 ILE A 38 5.004 -1.770 0.741 1.00 0.47 H new ATOM 603 N CYS A 39 0.254 -4.408 -0.491 1.00 0.32 N ATOM 604 CA CYS A 39 -1.170 -4.523 -0.200 1.00 0.34 C ATOM 605 C CYS A 39 -1.996 -4.564 -1.482 1.00 0.40 C ATOM 606 O CYS A 39 -1.668 -3.906 -2.468 1.00 0.55 O ATOM 607 CB CYS A 39 -1.627 -3.355 0.675 1.00 0.40 C ATOM 608 SG CYS A 39 -0.866 -1.771 0.250 1.00 1.29 S ATOM 0 H CYS A 39 0.488 -3.706 -1.194 1.00 0.32 H new ATOM 0 HA CYS A 39 -1.327 -5.459 0.337 1.00 0.34 H new ATOM 0 HB2 CYS A 39 -2.710 -3.258 0.596 1.00 0.40 H new ATOM 0 HB3 CYS A 39 -1.402 -3.586 1.716 1.00 0.40 H new ATOM 0 HG CYS A 39 -1.738 -1.018 -0.352 1.00 1.29 H new ATOM 614 N GLU A 40 -3.074 -5.338 -1.458 1.00 0.36 N ATOM 615 CA GLU A 40 -3.952 -5.462 -2.613 1.00 0.44 C ATOM 616 C GLU A 40 -5.410 -5.325 -2.193 1.00 0.48 C ATOM 617 O GLU A 40 -5.880 -6.047 -1.316 1.00 0.50 O ATOM 618 CB GLU A 40 -3.736 -6.810 -3.303 1.00 0.57 C ATOM 619 CG GLU A 40 -2.272 -7.199 -3.435 1.00 1.15 C ATOM 620 CD GLU A 40 -2.080 -8.510 -4.171 1.00 1.65 C ATOM 621 OE1 GLU A 40 -3.083 -9.223 -4.385 1.00 1.74 O ATOM 622 OE2 GLU A 40 -0.927 -8.825 -4.534 1.00 2.37 O ATOM 0 H GLU A 40 -3.361 -5.890 -0.650 1.00 0.36 H new ATOM 0 HA GLU A 40 -3.711 -4.662 -3.313 1.00 0.44 H new ATOM 0 HB2 GLU A 40 -4.260 -7.584 -2.742 1.00 0.57 H new ATOM 0 HB3 GLU A 40 -4.185 -6.777 -4.296 1.00 0.57 H new ATOM 0 HG2 GLU A 40 -1.736 -6.409 -3.962 1.00 1.15 H new ATOM 0 HG3 GLU A 40 -1.830 -7.276 -2.442 1.00 1.15 H new ATOM 629 N VAL A 41 -6.124 -4.398 -2.824 1.00 0.55 N ATOM 630 CA VAL A 41 -7.530 -4.179 -2.507 1.00 0.64 C ATOM 631 C VAL A 41 -8.415 -4.489 -3.708 1.00 0.92 C ATOM 632 O VAL A 41 -7.996 -4.340 -4.856 1.00 1.08 O ATOM 633 CB VAL A 41 -7.792 -2.731 -2.049 1.00 0.65 C ATOM 634 CG1 VAL A 41 -6.940 -2.389 -0.838 1.00 1.35 C ATOM 635 CG2 VAL A 41 -7.532 -1.754 -3.184 1.00 1.32 C ATOM 0 H VAL A 41 -5.754 -3.789 -3.554 1.00 0.55 H new ATOM 0 HA VAL A 41 -7.777 -4.856 -1.689 1.00 0.64 H new ATOM 0 HB VAL A 41 -8.840 -2.648 -1.762 1.00 0.65 H new ATOM 0 HG11 VAL A 41 -7.140 -1.363 -0.531 1.00 1.35 H new ATOM 0 HG12 VAL A 41 -7.182 -3.067 -0.019 1.00 1.35 H new ATOM 0 HG13 VAL A 41 -5.886 -2.492 -1.094 1.00 1.35 H new ATOM 0 HG21 VAL A 41 -7.723 -0.737 -2.840 1.00 1.32 H new ATOM 0 HG22 VAL A 41 -6.494 -1.839 -3.507 1.00 1.32 H new ATOM 0 HG23 VAL A 41 -8.192 -1.984 -4.020 1.00 1.32 H new ATOM 645 N GLN A 42 -9.640 -4.921 -3.436 1.00 1.03 N ATOM 646 CA GLN A 42 -10.583 -5.253 -4.497 1.00 1.34 C ATOM 647 C GLN A 42 -11.951 -4.637 -4.225 1.00 1.39 C ATOM 648 O GLN A 42 -12.476 -4.728 -3.115 1.00 1.38 O ATOM 649 CB GLN A 42 -10.709 -6.771 -4.639 1.00 1.58 C ATOM 650 CG GLN A 42 -9.402 -7.455 -5.009 1.00 1.80 C ATOM 651 CD GLN A 42 -9.543 -8.959 -5.136 1.00 2.17 C ATOM 652 OE1 GLN A 42 -10.411 -9.569 -4.512 1.00 2.33 O ATOM 653 NE2 GLN A 42 -8.683 -9.566 -5.948 1.00 2.60 N ATOM 0 H GLN A 42 -10.004 -5.050 -2.492 1.00 1.03 H new ATOM 0 HA GLN A 42 -10.201 -4.839 -5.430 1.00 1.34 H new ATOM 0 HB2 GLN A 42 -11.075 -7.187 -3.700 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -11.456 -6.996 -5.400 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -9.038 -7.048 -5.952 1.00 1.80 H new ATOM 0 HG3 GLN A 42 -8.651 -7.227 -4.253 1.00 1.80 H new ATOM 0 HE21 GLN A 42 -7.979 -9.020 -6.446 1.00 2.60 H new ATOM 0 HE22 GLN A 42 -8.727 -10.577 -6.073 1.00 2.60 H new ATOM 662 N SER A 43 -12.521 -4.009 -5.248 1.00 1.55 N ATOM 663 CA SER A 43 -13.828 -3.375 -5.124 1.00 1.64 C ATOM 664 C SER A 43 -14.817 -3.970 -6.121 1.00 2.05 C ATOM 665 O SER A 43 -14.424 -4.489 -7.166 1.00 2.29 O ATOM 666 CB SER A 43 -13.712 -1.866 -5.344 1.00 1.43 C ATOM 667 OG SER A 43 -14.948 -1.218 -5.098 1.00 1.73 O ATOM 0 H SER A 43 -12.098 -3.926 -6.172 1.00 1.55 H new ATOM 0 HA SER A 43 -14.198 -3.560 -4.116 1.00 1.64 H new ATOM 0 HB2 SER A 43 -12.946 -1.457 -4.685 1.00 1.43 H new ATOM 0 HB3 SER A 43 -13.391 -1.668 -6.367 1.00 1.43 H new ATOM 0 HG SER A 43 -14.847 -0.254 -5.244 1.00 1.73 H new ATOM 673 N ASP A 44 -16.101 -3.889 -5.790 1.00 2.23 N ATOM 674 CA ASP A 44 -17.152 -4.417 -6.654 1.00 2.66 C ATOM 675 C ASP A 44 -16.997 -3.909 -8.085 1.00 2.80 C ATOM 676 O ASP A 44 -17.473 -4.538 -9.030 1.00 3.14 O ATOM 677 CB ASP A 44 -18.528 -4.028 -6.111 1.00 2.85 C ATOM 678 CG ASP A 44 -19.375 -5.235 -5.759 1.00 3.67 C ATOM 679 OD1 ASP A 44 -19.515 -6.132 -6.617 1.00 3.89 O ATOM 680 OD2 ASP A 44 -19.897 -5.284 -4.626 1.00 4.39 O ATOM 0 H ASP A 44 -16.440 -3.462 -4.928 1.00 2.23 H new ATOM 0 HA ASP A 44 -17.063 -5.503 -6.665 1.00 2.66 H new ATOM 0 HB2 ASP A 44 -18.403 -3.405 -5.225 1.00 2.85 H new ATOM 0 HB3 ASP A 44 -19.051 -3.425 -6.853 1.00 2.85 H new ATOM 685 N LYS A 45 -16.330 -2.769 -8.240 1.00 2.69 N ATOM 686 CA LYS A 45 -16.120 -2.188 -9.566 1.00 2.92 C ATOM 687 C LYS A 45 -14.863 -2.756 -10.222 1.00 3.03 C ATOM 688 O LYS A 45 -14.948 -3.552 -11.157 1.00 3.65 O ATOM 689 CB LYS A 45 -16.038 -0.653 -9.509 1.00 2.89 C ATOM 690 CG LYS A 45 -15.631 -0.083 -8.157 1.00 2.98 C ATOM 691 CD LYS A 45 -15.491 1.429 -8.208 1.00 3.17 C ATOM 692 CE LYS A 45 -14.079 1.846 -8.586 1.00 3.22 C ATOM 693 NZ LYS A 45 -13.989 3.302 -8.885 1.00 3.62 N ATOM 0 H LYS A 45 -15.928 -2.231 -7.472 1.00 2.69 H new ATOM 0 HA LYS A 45 -16.985 -2.458 -10.172 1.00 2.92 H new ATOM 0 HB2 LYS A 45 -15.324 -0.314 -10.260 1.00 2.89 H new ATOM 0 HB3 LYS A 45 -17.009 -0.241 -9.783 1.00 2.89 H new ATOM 0 HG2 LYS A 45 -16.374 -0.355 -7.408 1.00 2.98 H new ATOM 0 HG3 LYS A 45 -14.686 -0.526 -7.844 1.00 2.98 H new ATOM 0 HD2 LYS A 45 -16.198 1.837 -8.931 1.00 3.17 H new ATOM 0 HD3 LYS A 45 -15.749 1.852 -7.237 1.00 3.17 H new ATOM 0 HE2 LYS A 45 -13.398 1.600 -7.771 1.00 3.22 H new ATOM 0 HE3 LYS A 45 -13.753 1.276 -9.456 1.00 3.22 H new ATOM 0 HZ1 LYS A 45 -13.010 3.545 -9.138 1.00 3.62 H new ATOM 0 HZ2 LYS A 45 -14.619 3.533 -9.679 1.00 3.62 H new ATOM 0 HZ3 LYS A 45 -14.275 3.847 -8.047 1.00 3.62 H new ATOM 707 N ALA A 46 -13.699 -2.344 -9.731 1.00 2.58 N ATOM 708 CA ALA A 46 -12.432 -2.815 -10.277 1.00 2.82 C ATOM 709 C ALA A 46 -11.546 -3.399 -9.182 1.00 2.68 C ATOM 710 O ALA A 46 -11.737 -3.119 -7.999 1.00 2.63 O ATOM 711 CB ALA A 46 -11.711 -1.682 -10.992 1.00 2.83 C ATOM 0 H ALA A 46 -13.607 -1.686 -8.957 1.00 2.58 H new ATOM 0 HA ALA A 46 -12.647 -3.606 -10.996 1.00 2.82 H new ATOM 0 HB1 ALA A 46 -10.767 -2.048 -11.395 1.00 2.83 H new ATOM 0 HB2 ALA A 46 -12.333 -1.311 -11.807 1.00 2.83 H new ATOM 0 HB3 ALA A 46 -11.516 -0.873 -10.288 1.00 2.83 H new ATOM 717 N SER A 47 -10.573 -4.208 -9.588 1.00 2.96 N ATOM 718 CA SER A 47 -9.650 -4.828 -8.645 1.00 2.92 C ATOM 719 C SER A 47 -8.336 -4.056 -8.608 1.00 2.26 C ATOM 720 O SER A 47 -7.878 -3.549 -9.632 1.00 2.31 O ATOM 721 CB SER A 47 -9.395 -6.285 -9.034 1.00 3.72 C ATOM 722 OG SER A 47 -10.368 -6.745 -9.956 1.00 4.52 O ATOM 0 H SER A 47 -10.403 -4.450 -10.564 1.00 2.96 H new ATOM 0 HA SER A 47 -10.098 -4.804 -7.652 1.00 2.92 H new ATOM 0 HB2 SER A 47 -8.401 -6.379 -9.472 1.00 3.72 H new ATOM 0 HB3 SER A 47 -9.411 -6.911 -8.142 1.00 3.72 H new ATOM 0 HG SER A 47 -10.182 -7.678 -10.190 1.00 4.52 H new ATOM 728 N VAL A 48 -7.736 -3.959 -7.426 1.00 2.12 N ATOM 729 CA VAL A 48 -6.481 -3.233 -7.275 1.00 1.80 C ATOM 730 C VAL A 48 -5.410 -4.086 -6.604 1.00 1.55 C ATOM 731 O VAL A 48 -5.666 -4.758 -5.605 1.00 1.97 O ATOM 732 CB VAL A 48 -6.671 -1.941 -6.456 1.00 2.53 C ATOM 733 CG1 VAL A 48 -5.516 -0.980 -6.693 1.00 2.98 C ATOM 734 CG2 VAL A 48 -7.999 -1.278 -6.792 1.00 3.50 C ATOM 0 H VAL A 48 -8.096 -4.371 -6.565 1.00 2.12 H new ATOM 0 HA VAL A 48 -6.154 -2.978 -8.283 1.00 1.80 H new ATOM 0 HB VAL A 48 -6.683 -2.208 -5.399 1.00 2.53 H new ATOM 0 HG11 VAL A 48 -5.670 -0.075 -6.106 1.00 2.98 H new ATOM 0 HG12 VAL A 48 -4.581 -1.453 -6.392 1.00 2.98 H new ATOM 0 HG13 VAL A 48 -5.468 -0.722 -7.751 1.00 2.98 H new ATOM 0 HG21 VAL A 48 -8.111 -0.368 -6.202 1.00 3.50 H new ATOM 0 HG22 VAL A 48 -8.023 -1.028 -7.853 1.00 3.50 H new ATOM 0 HG23 VAL A 48 -8.816 -1.962 -6.562 1.00 3.50 H new ATOM 744 N THR A 49 -4.204 -4.038 -7.160 1.00 1.13 N ATOM 745 CA THR A 49 -3.073 -4.785 -6.625 1.00 0.98 C ATOM 746 C THR A 49 -1.825 -3.908 -6.622 1.00 0.69 C ATOM 747 O THR A 49 -1.429 -3.378 -7.660 1.00 0.71 O ATOM 748 CB THR A 49 -2.801 -6.062 -7.444 1.00 1.22 C ATOM 749 OG1 THR A 49 -2.515 -5.719 -8.806 1.00 1.28 O ATOM 750 CG2 THR A 49 -3.998 -7.000 -7.394 1.00 1.46 C ATOM 0 H THR A 49 -3.985 -3.484 -7.988 1.00 1.13 H new ATOM 0 HA THR A 49 -3.321 -5.080 -5.605 1.00 0.98 H new ATOM 0 HB THR A 49 -1.941 -6.571 -7.009 1.00 1.22 H new ATOM 0 HG1 THR A 49 -2.088 -4.838 -8.839 1.00 1.28 H new ATOM 0 HG21 THR A 49 -3.784 -7.895 -7.979 1.00 1.46 H new ATOM 0 HG22 THR A 49 -4.197 -7.281 -6.360 1.00 1.46 H new ATOM 0 HG23 THR A 49 -4.872 -6.497 -7.808 1.00 1.46 H new ATOM 758 N ILE A 50 -1.222 -3.736 -5.449 1.00 0.66 N ATOM 759 CA ILE A 50 -0.039 -2.892 -5.322 1.00 0.49 C ATOM 760 C ILE A 50 1.254 -3.696 -5.293 1.00 0.37 C ATOM 761 O ILE A 50 1.568 -4.362 -4.303 1.00 0.36 O ATOM 762 CB ILE A 50 -0.102 -2.025 -4.052 1.00 0.66 C ATOM 763 CG1 ILE A 50 -1.420 -1.254 -4.002 1.00 0.95 C ATOM 764 CG2 ILE A 50 1.083 -1.070 -4.001 1.00 0.78 C ATOM 765 CD1 ILE A 50 -1.576 -0.253 -5.125 1.00 1.01 C ATOM 0 H ILE A 50 -1.531 -4.167 -4.578 1.00 0.66 H new ATOM 0 HA ILE A 50 -0.036 -2.257 -6.208 1.00 0.49 H new ATOM 0 HB ILE A 50 -0.052 -2.678 -3.180 1.00 0.66 H new ATOM 0 HG12 ILE A 50 -2.248 -1.962 -4.040 1.00 0.95 H new ATOM 0 HG13 ILE A 50 -1.490 -0.732 -3.048 1.00 0.95 H new ATOM 0 HG21 ILE A 50 1.023 -0.464 -3.097 1.00 0.78 H new ATOM 0 HG22 ILE A 50 2.011 -1.642 -3.994 1.00 0.78 H new ATOM 0 HG23 ILE A 50 1.064 -0.420 -4.875 1.00 0.78 H new ATOM 0 HD11 ILE A 50 -2.534 0.258 -5.027 1.00 1.01 H new ATOM 0 HD12 ILE A 50 -0.769 0.478 -5.076 1.00 1.01 H new ATOM 0 HD13 ILE A 50 -1.538 -0.772 -6.083 1.00 1.01 H new ATOM 777 N THR A 51 2.015 -3.600 -6.376 1.00 0.41 N ATOM 778 CA THR A 51 3.294 -4.284 -6.475 1.00 0.44 C ATOM 779 C THR A 51 4.393 -3.407 -5.888 1.00 0.40 C ATOM 780 O THR A 51 4.125 -2.305 -5.411 1.00 0.50 O ATOM 781 CB THR A 51 3.641 -4.629 -7.935 1.00 0.56 C ATOM 782 OG1 THR A 51 2.439 -4.802 -8.697 1.00 0.79 O ATOM 783 CG2 THR A 51 4.476 -5.898 -8.010 1.00 1.04 C ATOM 0 H THR A 51 1.766 -3.053 -7.200 1.00 0.41 H new ATOM 0 HA THR A 51 3.218 -5.216 -5.914 1.00 0.44 H new ATOM 0 HB THR A 51 4.221 -3.805 -8.349 1.00 0.56 H new ATOM 0 HG1 THR A 51 2.668 -5.019 -9.625 1.00 0.79 H new ATOM 0 HG21 THR A 51 4.708 -6.120 -9.052 1.00 1.04 H new ATOM 0 HG22 THR A 51 5.403 -5.757 -7.454 1.00 1.04 H new ATOM 0 HG23 THR A 51 3.917 -6.728 -7.578 1.00 1.04 H new ATOM 791 N SER A 52 5.627 -3.893 -5.915 1.00 0.49 N ATOM 792 CA SER A 52 6.746 -3.134 -5.372 1.00 0.56 C ATOM 793 C SER A 52 7.766 -2.784 -6.452 1.00 0.56 C ATOM 794 O SER A 52 8.519 -1.821 -6.308 1.00 0.66 O ATOM 795 CB SER A 52 7.425 -3.924 -4.252 1.00 0.63 C ATOM 796 OG SER A 52 7.246 -3.288 -2.999 1.00 1.36 O ATOM 0 H SER A 52 5.878 -4.802 -6.304 1.00 0.49 H new ATOM 0 HA SER A 52 6.349 -2.202 -4.970 1.00 0.56 H new ATOM 0 HB2 SER A 52 7.014 -4.933 -4.213 1.00 0.63 H new ATOM 0 HB3 SER A 52 8.489 -4.022 -4.465 1.00 0.63 H new ATOM 0 HG SER A 52 8.121 -3.062 -2.619 1.00 1.36 H new ATOM 802 N ARG A 53 7.806 -3.587 -7.521 1.00 0.54 N ATOM 803 CA ARG A 53 8.749 -3.379 -8.630 1.00 0.63 C ATOM 804 C ARG A 53 10.181 -3.122 -8.141 1.00 0.58 C ATOM 805 O ARG A 53 11.022 -2.643 -8.903 1.00 0.68 O ATOM 806 CB ARG A 53 8.302 -2.239 -9.568 1.00 0.83 C ATOM 807 CG ARG A 53 7.287 -1.259 -8.987 1.00 1.39 C ATOM 808 CD ARG A 53 5.892 -1.863 -8.902 1.00 2.19 C ATOM 809 NE ARG A 53 5.491 -2.499 -10.154 1.00 2.73 N ATOM 810 CZ ARG A 53 5.009 -1.831 -11.197 1.00 3.54 C ATOM 811 NH1 ARG A 53 4.886 -0.511 -11.142 1.00 4.04 N ATOM 812 NH2 ARG A 53 4.654 -2.480 -12.298 1.00 4.23 N ATOM 0 H ARG A 53 7.193 -4.393 -7.643 1.00 0.54 H new ATOM 0 HA ARG A 53 8.747 -4.311 -9.196 1.00 0.63 H new ATOM 0 HB2 ARG A 53 9.185 -1.679 -9.874 1.00 0.83 H new ATOM 0 HB3 ARG A 53 7.877 -2.681 -10.469 1.00 0.83 H new ATOM 0 HG2 ARG A 53 7.609 -0.951 -7.992 1.00 1.39 H new ATOM 0 HG3 ARG A 53 7.256 -0.361 -9.604 1.00 1.39 H new ATOM 0 HD2 ARG A 53 5.864 -2.598 -8.098 1.00 2.19 H new ATOM 0 HD3 ARG A 53 5.175 -1.083 -8.646 1.00 2.19 H new ATOM 0 HE ARG A 53 5.586 -3.512 -10.232 1.00 2.73 H new ATOM 0 HH11 ARG A 53 5.162 -0.008 -10.299 1.00 4.04 H new ATOM 0 HH12 ARG A 53 4.516 0.001 -11.943 1.00 4.04 H new ATOM 0 HH21 ARG A 53 4.751 -3.494 -12.346 1.00 4.23 H new ATOM 0 HH22 ARG A 53 4.284 -1.965 -13.097 1.00 4.23 H new ATOM 826 N TYR A 54 10.454 -3.428 -6.874 1.00 0.45 N ATOM 827 CA TYR A 54 11.769 -3.216 -6.290 1.00 0.41 C ATOM 828 C TYR A 54 11.778 -3.742 -4.861 1.00 0.31 C ATOM 829 O TYR A 54 10.732 -4.103 -4.322 1.00 0.28 O ATOM 830 CB TYR A 54 12.129 -1.729 -6.303 1.00 0.50 C ATOM 831 CG TYR A 54 13.117 -1.348 -7.383 1.00 1.15 C ATOM 832 CD1 TYR A 54 14.379 -1.925 -7.433 1.00 1.89 C ATOM 833 CD2 TYR A 54 12.787 -0.407 -8.351 1.00 1.77 C ATOM 834 CE1 TYR A 54 15.285 -1.577 -8.417 1.00 2.72 C ATOM 835 CE2 TYR A 54 13.687 -0.053 -9.339 1.00 2.59 C ATOM 836 CZ TYR A 54 14.934 -0.641 -9.367 1.00 2.95 C ATOM 837 OH TYR A 54 15.833 -0.290 -10.348 1.00 3.88 O ATOM 0 H TYR A 54 9.771 -3.827 -6.230 1.00 0.45 H new ATOM 0 HA TYR A 54 12.510 -3.754 -6.881 1.00 0.41 H new ATOM 0 HB2 TYR A 54 11.218 -1.146 -6.435 1.00 0.50 H new ATOM 0 HB3 TYR A 54 12.544 -1.457 -5.332 1.00 0.50 H new ATOM 0 HD1 TYR A 54 14.657 -2.658 -6.690 1.00 1.89 H new ATOM 0 HD2 TYR A 54 11.811 0.055 -8.331 1.00 1.77 H new ATOM 0 HE1 TYR A 54 16.262 -2.036 -8.442 1.00 2.72 H new ATOM 0 HE2 TYR A 54 13.415 0.680 -10.084 1.00 2.59 H new ATOM 0 HH TYR A 54 15.429 0.380 -10.938 1.00 3.88 H new ATOM 847 N ASP A 55 12.948 -3.777 -4.242 1.00 0.30 N ATOM 848 CA ASP A 55 13.051 -4.252 -2.868 1.00 0.24 C ATOM 849 C ASP A 55 13.093 -3.068 -1.910 1.00 0.23 C ATOM 850 O ASP A 55 13.972 -2.212 -2.007 1.00 0.28 O ATOM 851 CB ASP A 55 14.291 -5.130 -2.680 1.00 0.28 C ATOM 852 CG ASP A 55 14.666 -5.898 -3.935 1.00 1.01 C ATOM 853 OD1 ASP A 55 15.087 -5.255 -4.920 1.00 1.52 O ATOM 854 OD2 ASP A 55 14.538 -7.140 -3.933 1.00 1.33 O ATOM 0 H ASP A 55 13.831 -3.486 -4.662 1.00 0.30 H new ATOM 0 HA ASP A 55 12.172 -4.859 -2.649 1.00 0.24 H new ATOM 0 HB2 ASP A 55 15.131 -4.504 -2.378 1.00 0.28 H new ATOM 0 HB3 ASP A 55 14.111 -5.835 -1.868 1.00 0.28 H new ATOM 859 N GLY A 56 12.125 -3.010 -0.997 1.00 0.18 N ATOM 860 CA GLY A 56 12.069 -1.903 -0.057 1.00 0.18 C ATOM 861 C GLY A 56 11.778 -2.330 1.367 1.00 0.15 C ATOM 862 O GLY A 56 11.352 -3.452 1.610 1.00 0.15 O ATOM 0 H GLY A 56 11.385 -3.704 -0.892 1.00 0.18 H new ATOM 0 HA2 GLY A 56 13.019 -1.369 -0.080 1.00 0.18 H new ATOM 0 HA3 GLY A 56 11.301 -1.201 -0.381 1.00 0.18 H new ATOM 866 N VAL A 57 12.020 -1.432 2.316 1.00 0.18 N ATOM 867 CA VAL A 57 11.793 -1.733 3.728 1.00 0.21 C ATOM 868 C VAL A 57 10.492 -1.122 4.247 1.00 0.22 C ATOM 869 O VAL A 57 10.333 0.096 4.264 1.00 0.26 O ATOM 870 CB VAL A 57 12.966 -1.226 4.602 1.00 0.30 C ATOM 871 CG1 VAL A 57 12.669 -1.407 6.090 1.00 1.06 C ATOM 872 CG2 VAL A 57 14.256 -1.936 4.223 1.00 1.11 C ATOM 0 H VAL A 57 12.372 -0.492 2.136 1.00 0.18 H new ATOM 0 HA VAL A 57 11.721 -2.818 3.800 1.00 0.21 H new ATOM 0 HB VAL A 57 13.087 -0.159 4.415 1.00 0.30 H new ATOM 0 HG11 VAL A 57 13.512 -1.041 6.676 1.00 1.06 H new ATOM 0 HG12 VAL A 57 11.773 -0.845 6.353 1.00 1.06 H new ATOM 0 HG13 VAL A 57 12.510 -2.464 6.303 1.00 1.06 H new ATOM 0 HG21 VAL A 57 15.071 -1.568 4.847 1.00 1.11 H new ATOM 0 HG22 VAL A 57 14.139 -3.009 4.375 1.00 1.11 H new ATOM 0 HG23 VAL A 57 14.485 -1.741 3.175 1.00 1.11 H new ATOM 882 N ILE A 58 9.593 -1.982 4.721 1.00 0.21 N ATOM 883 CA ILE A 58 8.329 -1.537 5.299 1.00 0.24 C ATOM 884 C ILE A 58 8.469 -1.538 6.811 1.00 0.33 C ATOM 885 O ILE A 58 8.837 -2.555 7.405 1.00 0.38 O ATOM 886 CB ILE A 58 7.156 -2.442 4.878 1.00 0.19 C ATOM 887 CG1 ILE A 58 7.212 -2.689 3.373 1.00 0.20 C ATOM 888 CG2 ILE A 58 5.825 -1.813 5.261 1.00 0.23 C ATOM 889 CD1 ILE A 58 6.311 -3.812 2.906 1.00 0.17 C ATOM 0 H ILE A 58 9.718 -2.994 4.716 1.00 0.21 H new ATOM 0 HA ILE A 58 8.108 -0.534 4.933 1.00 0.24 H new ATOM 0 HB ILE A 58 7.243 -3.394 5.401 1.00 0.19 H new ATOM 0 HG12 ILE A 58 6.934 -1.772 2.853 1.00 0.20 H new ATOM 0 HG13 ILE A 58 8.239 -2.918 3.089 1.00 0.20 H new ATOM 0 HG21 ILE A 58 5.011 -2.469 4.954 1.00 0.23 H new ATOM 0 HG22 ILE A 58 5.788 -1.669 6.341 1.00 0.23 H new ATOM 0 HG23 ILE A 58 5.721 -0.849 4.763 1.00 0.23 H new ATOM 0 HD11 ILE A 58 6.404 -3.928 1.826 1.00 0.17 H new ATOM 0 HD12 ILE A 58 6.602 -4.740 3.398 1.00 0.17 H new ATOM 0 HD13 ILE A 58 5.277 -3.577 3.157 1.00 0.17 H new ATOM 901 N LYS A 59 8.238 -0.383 7.424 1.00 0.40 N ATOM 902 CA LYS A 59 8.418 -0.254 8.868 1.00 0.53 C ATOM 903 C LYS A 59 7.113 -0.343 9.667 1.00 0.52 C ATOM 904 O LYS A 59 7.138 -0.756 10.826 1.00 0.61 O ATOM 905 CB LYS A 59 9.155 1.057 9.175 1.00 0.65 C ATOM 906 CG LYS A 59 9.164 1.441 10.650 1.00 0.83 C ATOM 907 CD LYS A 59 10.381 2.282 11.001 1.00 1.03 C ATOM 908 CE LYS A 59 10.500 2.487 12.503 1.00 1.51 C ATOM 909 NZ LYS A 59 10.433 1.198 13.245 1.00 2.14 N ATOM 0 H LYS A 59 7.930 0.468 6.953 1.00 0.40 H new ATOM 0 HA LYS A 59 9.014 -1.108 9.190 1.00 0.53 H new ATOM 0 HB2 LYS A 59 10.185 0.971 8.828 1.00 0.65 H new ATOM 0 HB3 LYS A 59 8.692 1.862 8.605 1.00 0.65 H new ATOM 0 HG2 LYS A 59 8.256 1.996 10.888 1.00 0.83 H new ATOM 0 HG3 LYS A 59 9.156 0.539 11.262 1.00 0.83 H new ATOM 0 HD2 LYS A 59 11.282 1.795 10.626 1.00 1.03 H new ATOM 0 HD3 LYS A 59 10.312 3.250 10.505 1.00 1.03 H new ATOM 0 HE2 LYS A 59 11.442 2.987 12.728 1.00 1.51 H new ATOM 0 HE3 LYS A 59 9.701 3.145 12.844 1.00 1.51 H new ATOM 0 HZ1 LYS A 59 10.814 1.329 14.204 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 9.444 0.883 13.305 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 10.995 0.480 12.745 1.00 2.14 H new ATOM 923 N LYS A 60 5.982 0.046 9.086 1.00 0.44 N ATOM 924 CA LYS A 60 4.727 -0.015 9.835 1.00 0.45 C ATOM 925 C LYS A 60 3.508 -0.226 8.938 1.00 0.37 C ATOM 926 O LYS A 60 3.398 0.359 7.864 1.00 0.53 O ATOM 927 CB LYS A 60 4.557 1.254 10.684 1.00 0.55 C ATOM 928 CG LYS A 60 3.965 2.441 9.936 1.00 0.76 C ATOM 929 CD LYS A 60 4.894 2.936 8.841 1.00 0.51 C ATOM 930 CE LYS A 60 6.269 3.284 9.390 1.00 0.71 C ATOM 931 NZ LYS A 60 6.191 4.277 10.497 1.00 1.35 N ATOM 0 H LYS A 60 5.905 0.396 8.131 1.00 0.44 H new ATOM 0 HA LYS A 60 4.787 -0.886 10.487 1.00 0.45 H new ATOM 0 HB2 LYS A 60 3.918 1.023 11.536 1.00 0.55 H new ATOM 0 HB3 LYS A 60 5.530 1.541 11.084 1.00 0.55 H new ATOM 0 HG2 LYS A 60 3.008 2.155 9.499 1.00 0.76 H new ATOM 0 HG3 LYS A 60 3.766 3.251 10.638 1.00 0.76 H new ATOM 0 HD2 LYS A 60 4.992 2.170 8.072 1.00 0.51 H new ATOM 0 HD3 LYS A 60 4.459 3.814 8.363 1.00 0.51 H new ATOM 0 HE2 LYS A 60 6.756 2.378 9.749 1.00 0.71 H new ATOM 0 HE3 LYS A 60 6.890 3.683 8.588 1.00 0.71 H new ATOM 0 HZ1 LYS A 60 7.150 4.589 10.752 1.00 1.35 H new ATOM 0 HZ2 LYS A 60 5.630 5.097 10.189 1.00 1.35 H new ATOM 0 HZ3 LYS A 60 5.738 3.839 11.325 1.00 1.35 H new ATOM 945 N LEU A 61 2.585 -1.057 9.418 1.00 0.35 N ATOM 946 CA LEU A 61 1.350 -1.353 8.702 1.00 0.37 C ATOM 947 C LEU A 61 0.151 -1.126 9.622 1.00 0.56 C ATOM 948 O LEU A 61 0.180 -1.506 10.792 1.00 0.94 O ATOM 949 CB LEU A 61 1.360 -2.797 8.196 1.00 0.39 C ATOM 950 CG LEU A 61 2.044 -3.004 6.844 1.00 0.33 C ATOM 951 CD1 LEU A 61 1.931 -4.456 6.406 1.00 1.14 C ATOM 952 CD2 LEU A 61 1.441 -2.081 5.797 1.00 0.91 C ATOM 0 H LEU A 61 2.673 -1.542 10.311 1.00 0.35 H new ATOM 0 HA LEU A 61 1.272 -0.686 7.843 1.00 0.37 H new ATOM 0 HB2 LEU A 61 1.858 -3.422 8.937 1.00 0.39 H new ATOM 0 HB3 LEU A 61 0.330 -3.147 8.123 1.00 0.39 H new ATOM 0 HG LEU A 61 3.101 -2.760 6.951 1.00 0.33 H new ATOM 0 HD11 LEU A 61 2.423 -4.585 5.442 1.00 1.14 H new ATOM 0 HD12 LEU A 61 2.409 -5.098 7.146 1.00 1.14 H new ATOM 0 HD13 LEU A 61 0.879 -4.728 6.315 1.00 1.14 H new ATOM 0 HD21 LEU A 61 1.939 -2.241 4.841 1.00 0.91 H new ATOM 0 HD22 LEU A 61 0.377 -2.295 5.692 1.00 0.91 H new ATOM 0 HD23 LEU A 61 1.574 -1.044 6.106 1.00 0.91 H new ATOM 964 N TYR A 62 -0.894 -0.490 9.100 1.00 0.68 N ATOM 965 CA TYR A 62 -2.081 -0.205 9.902 1.00 0.88 C ATOM 966 C TYR A 62 -3.317 -0.926 9.371 1.00 0.75 C ATOM 967 O TYR A 62 -4.080 -1.512 10.140 1.00 0.87 O ATOM 968 CB TYR A 62 -2.339 1.301 9.934 1.00 1.16 C ATOM 969 CG TYR A 62 -3.058 1.770 11.179 1.00 1.24 C ATOM 970 CD1 TYR A 62 -2.349 2.147 12.313 1.00 1.81 C ATOM 971 CD2 TYR A 62 -4.444 1.838 11.220 1.00 1.55 C ATOM 972 CE1 TYR A 62 -3.001 2.578 13.452 1.00 2.35 C ATOM 973 CE2 TYR A 62 -5.104 2.268 12.355 1.00 2.07 C ATOM 974 CZ TYR A 62 -4.378 2.637 13.469 1.00 2.38 C ATOM 975 OH TYR A 62 -5.031 3.067 14.601 1.00 3.08 O ATOM 0 H TYR A 62 -0.944 -0.165 8.135 1.00 0.68 H new ATOM 0 HA TYR A 62 -1.890 -0.571 10.911 1.00 0.88 H new ATOM 0 HB2 TYR A 62 -1.386 1.825 9.856 1.00 1.16 H new ATOM 0 HB3 TYR A 62 -2.928 1.578 9.059 1.00 1.16 H new ATOM 0 HD1 TYR A 62 -1.270 2.102 12.304 1.00 1.81 H new ATOM 0 HD2 TYR A 62 -5.016 1.550 10.350 1.00 1.55 H new ATOM 0 HE1 TYR A 62 -2.435 2.867 14.325 1.00 2.35 H new ATOM 0 HE2 TYR A 62 -6.183 2.315 12.370 1.00 2.07 H new ATOM 0 HH TYR A 62 -5.999 3.050 14.447 1.00 3.08 H new ATOM 985 N TYR A 63 -3.520 -0.874 8.061 1.00 0.64 N ATOM 986 CA TYR A 63 -4.676 -1.518 7.447 1.00 0.62 C ATOM 987 C TYR A 63 -4.388 -2.980 7.130 1.00 0.63 C ATOM 988 O TYR A 63 -3.277 -3.335 6.737 1.00 0.73 O ATOM 989 CB TYR A 63 -5.089 -0.770 6.181 1.00 0.79 C ATOM 990 CG TYR A 63 -5.495 0.663 6.442 1.00 1.02 C ATOM 991 CD1 TYR A 63 -4.542 1.632 6.732 1.00 1.28 C ATOM 992 CD2 TYR A 63 -6.829 1.047 6.404 1.00 1.16 C ATOM 993 CE1 TYR A 63 -4.907 2.942 6.977 1.00 1.56 C ATOM 994 CE2 TYR A 63 -7.202 2.356 6.647 1.00 1.45 C ATOM 995 CZ TYR A 63 -6.238 3.299 6.933 1.00 1.60 C ATOM 996 OH TYR A 63 -6.606 4.603 7.176 1.00 1.93 O ATOM 0 H TYR A 63 -2.903 -0.395 7.405 1.00 0.64 H new ATOM 0 HA TYR A 63 -5.499 -1.485 8.160 1.00 0.62 H new ATOM 0 HB2 TYR A 63 -4.261 -0.783 5.472 1.00 0.79 H new ATOM 0 HB3 TYR A 63 -5.919 -1.296 5.710 1.00 0.79 H new ATOM 0 HD1 TYR A 63 -3.498 1.356 6.766 1.00 1.28 H new ATOM 0 HD2 TYR A 63 -7.587 0.311 6.181 1.00 1.16 H new ATOM 0 HE1 TYR A 63 -4.154 3.682 7.202 1.00 1.56 H new ATOM 0 HE2 TYR A 63 -8.244 2.638 6.613 1.00 1.45 H new ATOM 0 HH TYR A 63 -7.569 4.704 7.027 1.00 1.93 H new ATOM 1006 N ASN A 64 -5.398 -3.824 7.313 1.00 0.63 N ATOM 1007 CA ASN A 64 -5.259 -5.251 7.056 1.00 0.67 C ATOM 1008 C ASN A 64 -6.318 -5.755 6.089 1.00 0.49 C ATOM 1009 O ASN A 64 -7.103 -4.987 5.534 1.00 0.47 O ATOM 1010 CB ASN A 64 -5.367 -6.045 8.357 1.00 0.93 C ATOM 1011 CG ASN A 64 -4.379 -5.580 9.409 1.00 1.14 C ATOM 1012 OD1 ASN A 64 -4.444 -4.445 9.880 1.00 1.70 O ATOM 1013 ND2 ASN A 64 -3.458 -6.459 9.785 1.00 1.03 N ATOM 0 H ASN A 64 -6.323 -3.543 7.639 1.00 0.63 H new ATOM 0 HA ASN A 64 -4.276 -5.397 6.609 1.00 0.67 H new ATOM 0 HB2 ASN A 64 -6.380 -5.955 8.750 1.00 0.93 H new ATOM 0 HB3 ASN A 64 -5.199 -7.102 8.148 1.00 0.93 H new ATOM 0 HD21 ASN A 64 -2.767 -6.204 10.491 1.00 1.03 H new ATOM 0 HD22 ASN A 64 -3.441 -7.390 9.368 1.00 1.03 H new ATOM 1020 N LEU A 65 -6.318 -7.065 5.907 1.00 0.54 N ATOM 1021 CA LEU A 65 -7.249 -7.743 5.027 1.00 0.54 C ATOM 1022 C LEU A 65 -8.707 -7.436 5.374 1.00 0.66 C ATOM 1023 O LEU A 65 -9.598 -7.630 4.548 1.00 0.77 O ATOM 1024 CB LEU A 65 -7.007 -9.245 5.139 1.00 0.66 C ATOM 1025 CG LEU A 65 -5.804 -9.769 4.356 1.00 0.75 C ATOM 1026 CD1 LEU A 65 -4.835 -10.487 5.284 1.00 1.06 C ATOM 1027 CD2 LEU A 65 -6.259 -10.694 3.238 1.00 1.04 C ATOM 0 H LEU A 65 -5.663 -7.693 6.373 1.00 0.54 H new ATOM 0 HA LEU A 65 -7.079 -7.389 4.010 1.00 0.54 H new ATOM 0 HB2 LEU A 65 -6.874 -9.498 6.191 1.00 0.66 H new ATOM 0 HB3 LEU A 65 -7.900 -9.768 4.796 1.00 0.66 H new ATOM 0 HG LEU A 65 -5.286 -8.920 3.910 1.00 0.75 H new ATOM 0 HD11 LEU A 65 -3.985 -10.853 4.709 1.00 1.06 H new ATOM 0 HD12 LEU A 65 -4.484 -9.795 6.050 1.00 1.06 H new ATOM 0 HD13 LEU A 65 -5.341 -11.328 5.759 1.00 1.06 H new ATOM 0 HD21 LEU A 65 -5.390 -11.058 2.691 1.00 1.04 H new ATOM 0 HD22 LEU A 65 -6.800 -11.539 3.663 1.00 1.04 H new ATOM 0 HD23 LEU A 65 -6.914 -10.149 2.558 1.00 1.04 H new ATOM 1039 N ASP A 66 -8.954 -6.991 6.602 1.00 0.75 N ATOM 1040 CA ASP A 66 -10.319 -6.704 7.042 1.00 0.92 C ATOM 1041 C ASP A 66 -10.602 -5.208 7.160 1.00 0.87 C ATOM 1042 O ASP A 66 -11.753 -4.784 7.062 1.00 1.00 O ATOM 1043 CB ASP A 66 -10.588 -7.384 8.385 1.00 1.12 C ATOM 1044 CG ASP A 66 -11.962 -8.021 8.449 1.00 1.74 C ATOM 1045 OD1 ASP A 66 -12.957 -7.276 8.579 1.00 2.30 O ATOM 1046 OD2 ASP A 66 -12.044 -9.265 8.372 1.00 2.33 O ATOM 0 H ASP A 66 -8.236 -6.822 7.306 1.00 0.75 H new ATOM 0 HA ASP A 66 -10.987 -7.100 6.277 1.00 0.92 H new ATOM 0 HB2 ASP A 66 -9.829 -8.146 8.561 1.00 1.12 H new ATOM 0 HB3 ASP A 66 -10.494 -6.650 9.185 1.00 1.12 H new ATOM 1051 N ASP A 67 -9.566 -4.410 7.391 1.00 0.77 N ATOM 1052 CA ASP A 67 -9.751 -2.970 7.541 1.00 0.81 C ATOM 1053 C ASP A 67 -9.921 -2.274 6.195 1.00 0.69 C ATOM 1054 O ASP A 67 -9.342 -2.685 5.177 1.00 0.56 O ATOM 1055 CB ASP A 67 -8.587 -2.346 8.307 1.00 0.92 C ATOM 1056 CG ASP A 67 -9.037 -1.670 9.587 1.00 1.35 C ATOM 1057 OD1 ASP A 67 -9.179 -2.373 10.610 1.00 1.85 O ATOM 1058 OD2 ASP A 67 -9.250 -0.440 9.567 1.00 1.54 O ATOM 0 H ASP A 67 -8.601 -4.729 7.478 1.00 0.77 H new ATOM 0 HA ASP A 67 -10.668 -2.827 8.112 1.00 0.81 H new ATOM 0 HB2 ASP A 67 -7.856 -3.118 8.544 1.00 0.92 H new ATOM 0 HB3 ASP A 67 -8.085 -1.617 7.671 1.00 0.92 H new ATOM 1063 N ILE A 68 -10.728 -1.212 6.210 1.00 0.83 N ATOM 1064 CA ILE A 68 -11.005 -0.420 5.017 1.00 0.78 C ATOM 1065 C ILE A 68 -10.173 0.851 5.023 1.00 0.99 C ATOM 1066 O ILE A 68 -10.016 1.497 6.059 1.00 1.38 O ATOM 1067 CB ILE A 68 -12.494 -0.018 4.912 1.00 1.07 C ATOM 1068 CG1 ILE A 68 -13.415 -1.254 4.983 1.00 1.27 C ATOM 1069 CG2 ILE A 68 -12.729 0.797 3.640 1.00 1.06 C ATOM 1070 CD1 ILE A 68 -13.721 -1.910 3.644 1.00 1.10 C ATOM 0 H ILE A 68 -11.205 -0.880 7.048 1.00 0.83 H new ATOM 0 HA ILE A 68 -10.749 -1.047 4.163 1.00 0.78 H new ATOM 0 HB ILE A 68 -12.747 0.610 5.766 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -12.953 -1.995 5.636 1.00 1.27 H new ATOM 0 HG13 ILE A 68 -14.355 -0.961 5.449 1.00 1.27 H new ATOM 0 HG21 ILE A 68 -13.781 1.075 3.575 1.00 1.06 H new ATOM 0 HG22 ILE A 68 -12.116 1.698 3.667 1.00 1.06 H new ATOM 0 HG23 ILE A 68 -12.458 0.199 2.770 1.00 1.06 H new ATOM 0 HD11 ILE A 68 -14.375 -2.768 3.800 1.00 1.10 H new ATOM 0 HD12 ILE A 68 -14.216 -1.191 2.991 1.00 1.10 H new ATOM 0 HD13 ILE A 68 -12.792 -2.241 3.180 1.00 1.10 H new ATOM 1082 N ALA A 69 -9.653 1.210 3.862 1.00 1.00 N ATOM 1083 CA ALA A 69 -8.847 2.410 3.733 1.00 1.34 C ATOM 1084 C ALA A 69 -9.584 3.469 2.922 1.00 1.19 C ATOM 1085 O ALA A 69 -10.423 3.146 2.076 1.00 1.68 O ATOM 1086 CB ALA A 69 -7.506 2.075 3.100 1.00 2.16 C ATOM 0 H ALA A 69 -9.775 0.687 2.995 1.00 1.00 H new ATOM 0 HA ALA A 69 -8.665 2.818 4.728 1.00 1.34 H new ATOM 0 HB1 ALA A 69 -6.910 2.983 3.008 1.00 2.16 H new ATOM 0 HB2 ALA A 69 -6.978 1.356 3.726 1.00 2.16 H new ATOM 0 HB3 ALA A 69 -7.668 1.646 2.111 1.00 2.16 H new ATOM 1092 N TYR A 70 -9.267 4.731 3.188 1.00 1.18 N ATOM 1093 CA TYR A 70 -9.896 5.846 2.485 1.00 1.38 C ATOM 1094 C TYR A 70 -8.856 6.634 1.696 1.00 1.17 C ATOM 1095 O TYR A 70 -7.716 6.790 2.135 1.00 1.21 O ATOM 1096 CB TYR A 70 -10.633 6.785 3.457 1.00 1.97 C ATOM 1097 CG TYR A 70 -10.581 6.365 4.914 1.00 2.80 C ATOM 1098 CD1 TYR A 70 -11.481 5.437 5.424 1.00 3.47 C ATOM 1099 CD2 TYR A 70 -9.632 6.900 5.776 1.00 3.17 C ATOM 1100 CE1 TYR A 70 -11.434 5.052 6.751 1.00 4.42 C ATOM 1101 CE2 TYR A 70 -9.579 6.521 7.103 1.00 4.07 C ATOM 1102 CZ TYR A 70 -10.483 5.598 7.586 1.00 4.67 C ATOM 1103 OH TYR A 70 -10.433 5.218 8.907 1.00 5.65 O ATOM 0 H TYR A 70 -8.577 5.009 3.886 1.00 1.18 H new ATOM 0 HA TYR A 70 -10.629 5.426 1.797 1.00 1.38 H new ATOM 0 HB2 TYR A 70 -10.207 7.784 3.367 1.00 1.97 H new ATOM 0 HB3 TYR A 70 -11.677 6.854 3.151 1.00 1.97 H new ATOM 0 HD1 TYR A 70 -12.229 5.010 4.773 1.00 3.47 H new ATOM 0 HD2 TYR A 70 -8.924 7.625 5.402 1.00 3.17 H new ATOM 0 HE1 TYR A 70 -12.139 4.327 7.131 1.00 4.42 H new ATOM 0 HE2 TYR A 70 -8.833 6.945 7.759 1.00 4.07 H new ATOM 0 HH TYR A 70 -9.705 5.695 9.357 1.00 5.65 H new ATOM 1113 N VAL A 71 -9.255 7.125 0.529 1.00 1.69 N ATOM 1114 CA VAL A 71 -8.356 7.894 -0.323 1.00 2.02 C ATOM 1115 C VAL A 71 -8.127 9.294 0.236 1.00 2.00 C ATOM 1116 O VAL A 71 -9.065 9.956 0.682 1.00 2.35 O ATOM 1117 CB VAL A 71 -8.908 8.009 -1.757 1.00 2.95 C ATOM 1118 CG1 VAL A 71 -10.203 8.808 -1.769 1.00 3.18 C ATOM 1119 CG2 VAL A 71 -7.876 8.639 -2.680 1.00 3.61 C ATOM 0 H VAL A 71 -10.195 7.005 0.151 1.00 1.69 H new ATOM 0 HA VAL A 71 -7.407 7.358 -0.346 1.00 2.02 H new ATOM 0 HB VAL A 71 -9.123 7.005 -2.124 1.00 2.95 H new ATOM 0 HG11 VAL A 71 -10.578 8.878 -2.790 1.00 3.18 H new ATOM 0 HG12 VAL A 71 -10.944 8.309 -1.144 1.00 3.18 H new ATOM 0 HG13 VAL A 71 -10.016 9.809 -1.381 1.00 3.18 H new ATOM 0 HG21 VAL A 71 -8.285 8.711 -3.688 1.00 3.61 H new ATOM 0 HG22 VAL A 71 -7.625 9.636 -2.318 1.00 3.61 H new ATOM 0 HG23 VAL A 71 -6.978 8.022 -2.697 1.00 3.61 H new ATOM 1129 N GLY A 72 -6.875 9.742 0.206 1.00 1.84 N ATOM 1130 CA GLY A 72 -6.551 11.065 0.708 1.00 1.87 C ATOM 1131 C GLY A 72 -5.557 11.045 1.857 1.00 1.57 C ATOM 1132 O GLY A 72 -5.224 12.094 2.408 1.00 1.63 O ATOM 0 H GLY A 72 -6.081 9.214 -0.156 1.00 1.84 H new ATOM 0 HA2 GLY A 72 -6.143 11.665 -0.106 1.00 1.87 H new ATOM 0 HA3 GLY A 72 -7.467 11.555 1.038 1.00 1.87 H new ATOM 1136 N LYS A 73 -5.083 9.858 2.229 1.00 1.31 N ATOM 1137 CA LYS A 73 -4.128 9.737 3.325 1.00 1.09 C ATOM 1138 C LYS A 73 -3.315 8.446 3.215 1.00 0.83 C ATOM 1139 O LYS A 73 -3.877 7.369 3.014 1.00 0.79 O ATOM 1140 CB LYS A 73 -4.863 9.773 4.666 1.00 1.27 C ATOM 1141 CG LYS A 73 -4.031 10.342 5.803 1.00 1.59 C ATOM 1142 CD LYS A 73 -4.639 11.622 6.354 1.00 1.98 C ATOM 1143 CE LYS A 73 -3.693 12.313 7.322 1.00 2.32 C ATOM 1144 NZ LYS A 73 -3.228 11.389 8.393 1.00 2.96 N ATOM 0 H LYS A 73 -5.343 8.974 1.791 1.00 1.31 H new ATOM 0 HA LYS A 73 -3.439 10.579 3.264 1.00 1.09 H new ATOM 0 HB2 LYS A 73 -5.770 10.368 4.558 1.00 1.27 H new ATOM 0 HB3 LYS A 73 -5.175 8.762 4.927 1.00 1.27 H new ATOM 0 HG2 LYS A 73 -3.951 9.604 6.601 1.00 1.59 H new ATOM 0 HG3 LYS A 73 -3.019 10.541 5.450 1.00 1.59 H new ATOM 0 HD2 LYS A 73 -4.877 12.297 5.532 1.00 1.98 H new ATOM 0 HD3 LYS A 73 -5.577 11.393 6.860 1.00 1.98 H new ATOM 0 HE2 LYS A 73 -2.832 12.699 6.776 1.00 2.32 H new ATOM 0 HE3 LYS A 73 -4.195 13.169 7.773 1.00 2.32 H new ATOM 0 HZ1 LYS A 73 -2.785 11.938 9.157 1.00 2.96 H new ATOM 0 HZ2 LYS A 73 -4.040 10.860 8.772 1.00 2.96 H new ATOM 0 HZ3 LYS A 73 -2.534 10.722 7.999 1.00 2.96 H new ATOM 1158 N PRO A 74 -1.977 8.531 3.355 1.00 0.75 N ATOM 1159 CA PRO A 74 -1.101 7.355 3.278 1.00 0.64 C ATOM 1160 C PRO A 74 -1.435 6.331 4.354 1.00 0.53 C ATOM 1161 O PRO A 74 -2.004 6.673 5.390 1.00 0.75 O ATOM 1162 CB PRO A 74 0.304 7.925 3.507 1.00 0.77 C ATOM 1163 CG PRO A 74 0.187 9.385 3.233 1.00 0.87 C ATOM 1164 CD PRO A 74 -1.216 9.766 3.607 1.00 0.91 C ATOM 0 HA PRO A 74 -1.206 6.832 2.327 1.00 0.64 H new ATOM 0 HB2 PRO A 74 0.641 7.742 4.527 1.00 0.77 H new ATOM 0 HB3 PRO A 74 1.031 7.457 2.843 1.00 0.77 H new ATOM 0 HG2 PRO A 74 0.913 9.951 3.816 1.00 0.87 H new ATOM 0 HG3 PRO A 74 0.383 9.602 2.183 1.00 0.87 H new ATOM 0 HD2 PRO A 74 -1.285 10.076 4.650 1.00 0.91 H new ATOM 0 HD3 PRO A 74 -1.583 10.596 3.003 1.00 0.91 H new ATOM 1172 N LEU A 75 -1.083 5.074 4.106 1.00 0.40 N ATOM 1173 CA LEU A 75 -1.360 4.014 5.067 1.00 0.49 C ATOM 1174 C LEU A 75 -0.093 3.253 5.458 1.00 0.46 C ATOM 1175 O LEU A 75 0.006 2.744 6.574 1.00 0.62 O ATOM 1176 CB LEU A 75 -2.411 3.049 4.513 1.00 0.64 C ATOM 1177 CG LEU A 75 -1.952 2.177 3.345 1.00 0.86 C ATOM 1178 CD1 LEU A 75 -1.398 0.857 3.857 1.00 1.84 C ATOM 1179 CD2 LEU A 75 -3.105 1.937 2.379 1.00 1.32 C ATOM 0 H LEU A 75 -0.610 4.767 3.256 1.00 0.40 H new ATOM 0 HA LEU A 75 -1.751 4.486 5.968 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -2.743 2.398 5.321 1.00 0.64 H new ATOM 0 HB3 LEU A 75 -3.278 3.628 4.193 1.00 0.64 H new ATOM 0 HG LEU A 75 -1.158 2.698 2.810 1.00 0.86 H new ATOM 0 HD11 LEU A 75 -1.075 0.246 3.014 1.00 1.84 H new ATOM 0 HD12 LEU A 75 -0.549 1.049 4.513 1.00 1.84 H new ATOM 0 HD13 LEU A 75 -2.173 0.328 4.412 1.00 1.84 H new ATOM 0 HD21 LEU A 75 -2.763 1.314 1.552 1.00 1.32 H new ATOM 0 HD22 LEU A 75 -3.918 1.433 2.901 1.00 1.32 H new ATOM 0 HD23 LEU A 75 -3.460 2.892 1.992 1.00 1.32 H new ATOM 1191 N VAL A 76 0.876 3.171 4.547 1.00 0.32 N ATOM 1192 CA VAL A 76 2.122 2.461 4.838 1.00 0.29 C ATOM 1193 C VAL A 76 3.347 3.271 4.426 1.00 0.27 C ATOM 1194 O VAL A 76 3.256 4.160 3.584 1.00 0.35 O ATOM 1195 CB VAL A 76 2.177 1.089 4.134 1.00 0.36 C ATOM 1196 CG1 VAL A 76 2.258 1.258 2.626 1.00 0.37 C ATOM 1197 CG2 VAL A 76 3.359 0.277 4.641 1.00 0.47 C ATOM 0 H VAL A 76 0.825 3.581 3.614 1.00 0.32 H new ATOM 0 HA VAL A 76 2.137 2.313 5.918 1.00 0.29 H new ATOM 0 HB VAL A 76 1.259 0.550 4.368 1.00 0.36 H new ATOM 0 HG11 VAL A 76 2.296 0.277 2.151 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.380 1.798 2.273 1.00 0.37 H new ATOM 0 HG13 VAL A 76 3.157 1.819 2.371 1.00 0.37 H new ATOM 0 HG21 VAL A 76 3.382 -0.687 4.134 1.00 0.47 H new ATOM 0 HG22 VAL A 76 4.284 0.816 4.438 1.00 0.47 H new ATOM 0 HG23 VAL A 76 3.259 0.120 5.715 1.00 0.47 H new ATOM 1207 N ASP A 77 4.493 2.942 5.023 1.00 0.30 N ATOM 1208 CA ASP A 77 5.750 3.618 4.715 1.00 0.41 C ATOM 1209 C ASP A 77 6.807 2.592 4.321 1.00 0.38 C ATOM 1210 O ASP A 77 7.132 1.692 5.100 1.00 0.41 O ATOM 1211 CB ASP A 77 6.255 4.431 5.912 1.00 0.58 C ATOM 1212 CG ASP A 77 5.175 5.265 6.580 1.00 0.78 C ATOM 1213 OD1 ASP A 77 3.987 4.887 6.502 1.00 0.87 O ATOM 1214 OD2 ASP A 77 5.520 6.303 7.184 1.00 1.10 O ATOM 0 H ASP A 77 4.575 2.207 5.726 1.00 0.30 H new ATOM 0 HA ASP A 77 5.567 4.302 3.886 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.684 3.751 6.648 1.00 0.58 H new ATOM 0 HB3 ASP A 77 7.058 5.089 5.581 1.00 0.58 H new ATOM 1219 N ILE A 78 7.334 2.721 3.108 1.00 0.44 N ATOM 1220 CA ILE A 78 8.342 1.787 2.617 1.00 0.42 C ATOM 1221 C ILE A 78 9.505 2.519 1.960 1.00 0.41 C ATOM 1222 O ILE A 78 9.323 3.575 1.365 1.00 0.51 O ATOM 1223 CB ILE A 78 7.747 0.791 1.598 1.00 0.42 C ATOM 1224 CG1 ILE A 78 6.270 0.522 1.904 1.00 0.53 C ATOM 1225 CG2 ILE A 78 8.543 -0.506 1.599 1.00 0.48 C ATOM 1226 CD1 ILE A 78 5.344 1.585 1.355 1.00 0.86 C ATOM 0 H ILE A 78 7.082 3.458 2.450 1.00 0.44 H new ATOM 0 HA ILE A 78 8.702 1.239 3.487 1.00 0.42 H new ATOM 0 HB ILE A 78 7.811 1.233 0.604 1.00 0.42 H new ATOM 0 HG12 ILE A 78 5.990 -0.445 1.487 1.00 0.53 H new ATOM 0 HG13 ILE A 78 6.136 0.455 2.984 1.00 0.53 H new ATOM 0 HG21 ILE A 78 8.112 -1.198 0.876 1.00 0.48 H new ATOM 0 HG22 ILE A 78 9.578 -0.298 1.329 1.00 0.48 H new ATOM 0 HG23 ILE A 78 8.510 -0.952 2.593 1.00 0.48 H new ATOM 0 HD11 ILE A 78 4.313 1.335 1.606 1.00 0.86 H new ATOM 0 HD12 ILE A 78 5.600 2.551 1.791 1.00 0.86 H new ATOM 0 HD13 ILE A 78 5.451 1.637 0.272 1.00 0.86 H new ATOM 1238 N GLU A 79 10.700 1.947 2.058 1.00 0.29 N ATOM 1239 CA GLU A 79 11.881 2.556 1.456 1.00 0.29 C ATOM 1240 C GLU A 79 12.204 1.886 0.127 1.00 0.47 C ATOM 1241 O GLU A 79 12.527 0.704 0.084 1.00 0.79 O ATOM 1242 CB GLU A 79 13.087 2.449 2.397 1.00 0.62 C ATOM 1243 CG GLU A 79 12.719 2.445 3.872 1.00 0.92 C ATOM 1244 CD GLU A 79 13.934 2.475 4.778 1.00 0.96 C ATOM 1245 OE1 GLU A 79 14.613 3.523 4.825 1.00 1.09 O ATOM 1246 OE2 GLU A 79 14.206 1.453 5.441 1.00 1.39 O ATOM 0 H GLU A 79 10.876 1.068 2.545 1.00 0.29 H new ATOM 0 HA GLU A 79 11.666 3.610 1.281 1.00 0.29 H new ATOM 0 HB2 GLU A 79 13.635 1.535 2.167 1.00 0.62 H new ATOM 0 HB3 GLU A 79 13.762 3.283 2.203 1.00 0.62 H new ATOM 0 HG2 GLU A 79 12.089 3.308 4.087 1.00 0.92 H new ATOM 0 HG3 GLU A 79 12.128 1.556 4.093 1.00 0.92 H new ATOM 1253 N THR A 80 12.114 2.652 -0.953 1.00 0.64 N ATOM 1254 CA THR A 80 12.393 2.141 -2.291 1.00 1.05 C ATOM 1255 C THR A 80 13.183 3.166 -3.097 1.00 1.00 C ATOM 1256 O THR A 80 13.140 4.360 -2.804 1.00 1.22 O ATOM 1257 CB THR A 80 11.094 1.796 -3.051 1.00 1.51 C ATOM 1258 OG1 THR A 80 9.994 2.516 -2.489 1.00 2.39 O ATOM 1259 CG2 THR A 80 10.799 0.300 -3.000 1.00 1.18 C ATOM 0 H THR A 80 11.848 3.636 -0.928 1.00 0.64 H new ATOM 0 HA THR A 80 12.979 1.230 -2.172 1.00 1.05 H new ATOM 0 HB THR A 80 11.232 2.084 -4.093 1.00 1.51 H new ATOM 0 HG1 THR A 80 9.154 2.078 -2.740 1.00 2.39 H new ATOM 0 HG21 THR A 80 9.878 0.092 -3.545 1.00 1.18 H new ATOM 0 HG22 THR A 80 11.622 -0.249 -3.457 1.00 1.18 H new ATOM 0 HG23 THR A 80 10.685 -0.013 -1.962 1.00 1.18 H new ATOM 1267 N GLU A 81 13.906 2.702 -4.109 1.00 1.27 N ATOM 1268 CA GLU A 81 14.700 3.598 -4.940 1.00 1.30 C ATOM 1269 C GLU A 81 13.817 4.684 -5.547 1.00 1.99 C ATOM 1270 O GLU A 81 12.657 4.439 -5.877 1.00 2.56 O ATOM 1271 CB GLU A 81 15.399 2.812 -6.051 1.00 1.53 C ATOM 1272 CG GLU A 81 16.250 1.662 -5.538 1.00 1.62 C ATOM 1273 CD GLU A 81 17.137 2.064 -4.376 1.00 2.40 C ATOM 1274 OE1 GLU A 81 17.543 3.245 -4.318 1.00 2.85 O ATOM 1275 OE2 GLU A 81 17.425 1.200 -3.522 1.00 3.13 O ATOM 0 H GLU A 81 13.959 1.718 -4.373 1.00 1.27 H new ATOM 0 HA GLU A 81 15.456 4.070 -4.312 1.00 1.30 H new ATOM 0 HB2 GLU A 81 14.647 2.420 -6.736 1.00 1.53 H new ATOM 0 HB3 GLU A 81 16.029 3.492 -6.625 1.00 1.53 H new ATOM 0 HG2 GLU A 81 15.600 0.844 -5.227 1.00 1.62 H new ATOM 0 HG3 GLU A 81 16.871 1.284 -6.350 1.00 1.62 H new ATOM 1282 N ALA A 82 14.369 5.891 -5.678 1.00 2.01 N ATOM 1283 CA ALA A 82 13.628 7.025 -6.231 1.00 2.67 C ATOM 1284 C ALA A 82 12.770 6.616 -7.427 1.00 3.02 C ATOM 1285 O ALA A 82 13.288 6.303 -8.499 1.00 3.10 O ATOM 1286 CB ALA A 82 14.588 8.136 -6.630 1.00 2.85 C ATOM 0 H ALA A 82 15.328 6.108 -5.408 1.00 2.01 H new ATOM 0 HA ALA A 82 12.957 7.389 -5.453 1.00 2.67 H new ATOM 0 HB1 ALA A 82 14.024 8.974 -7.040 1.00 2.85 H new ATOM 0 HB2 ALA A 82 15.145 8.467 -5.754 1.00 2.85 H new ATOM 0 HB3 ALA A 82 15.283 7.763 -7.382 1.00 2.85 H new ATOM 1292 N LEU A 83 11.455 6.624 -7.230 1.00 3.31 N ATOM 1293 CA LEU A 83 10.518 6.259 -8.286 1.00 3.73 C ATOM 1294 C LEU A 83 9.519 7.385 -8.534 1.00 4.31 C ATOM 1295 O LEU A 83 9.024 8.007 -7.594 1.00 4.31 O ATOM 1296 CB LEU A 83 9.775 4.973 -7.917 1.00 3.56 C ATOM 1297 CG LEU A 83 10.352 3.693 -8.523 1.00 3.51 C ATOM 1298 CD1 LEU A 83 10.606 2.657 -7.438 1.00 3.49 C ATOM 1299 CD2 LEU A 83 9.415 3.137 -9.584 1.00 3.60 C ATOM 0 H LEU A 83 11.014 6.880 -6.347 1.00 3.31 H new ATOM 0 HA LEU A 83 11.085 6.090 -9.201 1.00 3.73 H new ATOM 0 HB2 LEU A 83 9.771 4.873 -6.832 1.00 3.56 H new ATOM 0 HB3 LEU A 83 8.736 5.069 -8.232 1.00 3.56 H new ATOM 0 HG LEU A 83 11.303 3.934 -8.997 1.00 3.51 H new ATOM 0 HD11 LEU A 83 11.016 1.753 -7.887 1.00 3.49 H new ATOM 0 HD12 LEU A 83 11.315 3.056 -6.713 1.00 3.49 H new ATOM 0 HD13 LEU A 83 9.668 2.419 -6.935 1.00 3.49 H new ATOM 0 HD21 LEU A 83 9.841 2.226 -10.005 1.00 3.60 H new ATOM 0 HD22 LEU A 83 8.449 2.911 -9.134 1.00 3.60 H new ATOM 0 HD23 LEU A 83 9.283 3.875 -10.375 1.00 3.60 H new