USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 GLN : amide:sc= -2.87! C(o=-3.3!,f=-9.4!) USER MOD Set 1.2: A 81 MET CE :methyl -150:sc= -0.426 (180deg=-2.04!) USER MOD Set 2.1: A 45 MET CE :methyl -117:sc= -0.342 (180deg=-1.9!) USER MOD Set 2.2: A 80 MET CE :methyl 130:sc= -0.349 (180deg=-1.68) USER MOD Set 3.1: A 69 SER OG : rot -73:sc= 0.392 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 16 GLN : amide:sc= -1.66 K(o=-2.2,f=-9.6!) USER MOD Set 5.2: A 85 MET CE :methyl -139:sc= -0.509 (180deg=-0.605) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= -0.153 (180deg=-1.59!) USER MOD Single : A 11 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.72) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00515 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.75! C(o=-1.7!,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.322 USER MOD Single : A 38 THR OG1 : rot -150:sc= -4.37! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -99:sc= -8.38! (180deg=-13!) USER MOD Single : A 51 ASN : amide:sc=-0.00141 X(o=-0.0014,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 58 GLN : amide:sc= -1.09! X(o=-1.1!,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 71.384 13.072 0.822 1.00 0.88 N ATOM 45 CA TYR A 5 71.637 11.789 0.105 1.00 0.86 C ATOM 46 C TYR A 5 71.046 11.853 -1.305 1.00 0.78 C ATOM 47 O TYR A 5 71.583 11.295 -2.241 1.00 0.79 O ATOM 48 CB TYR A 5 70.927 10.712 0.933 1.00 1.02 C ATOM 49 CG TYR A 5 71.116 10.986 2.409 1.00 1.22 C ATOM 50 CD1 TYR A 5 72.390 11.282 2.909 1.00 1.94 C ATOM 51 CD2 TYR A 5 70.017 10.948 3.274 1.00 1.64 C ATOM 52 CE1 TYR A 5 72.564 11.539 4.274 1.00 2.20 C ATOM 53 CE2 TYR A 5 70.191 11.205 4.639 1.00 1.80 C ATOM 54 CZ TYR A 5 71.463 11.500 5.140 1.00 1.77 C ATOM 55 OH TYR A 5 71.634 11.753 6.485 1.00 2.07 O ATOM 0 HA TYR A 5 72.702 11.581 0.001 1.00 0.86 H new ATOM 0 HB2 TYR A 5 69.864 10.697 0.691 1.00 1.02 H new ATOM 0 HB3 TYR A 5 71.325 9.728 0.683 1.00 1.02 H new ATOM 0 HD1 TYR A 5 73.238 11.312 2.241 1.00 1.94 H new ATOM 0 HD2 TYR A 5 69.034 10.720 2.889 1.00 1.64 H new ATOM 0 HE1 TYR A 5 73.547 11.767 4.660 1.00 2.20 H new ATOM 0 HE2 TYR A 5 69.342 11.175 5.306 1.00 1.80 H new ATOM 0 HH TYR A 5 70.770 11.687 6.943 1.00 2.07 H new ATOM 65 N LYS A 6 69.942 12.531 -1.464 1.00 0.89 N ATOM 66 CA LYS A 6 69.314 12.633 -2.812 1.00 1.01 C ATOM 67 C LYS A 6 70.346 13.101 -3.841 1.00 0.98 C ATOM 68 O LYS A 6 70.493 12.518 -4.898 1.00 1.00 O ATOM 69 CB LYS A 6 68.203 13.672 -2.655 1.00 1.28 C ATOM 70 CG LYS A 6 66.909 12.976 -2.227 1.00 1.60 C ATOM 71 CD LYS A 6 67.073 12.415 -0.814 1.00 2.04 C ATOM 72 CE LYS A 6 65.724 11.892 -0.312 1.00 2.60 C ATOM 73 NZ LYS A 6 65.214 11.029 -1.413 1.00 3.24 N ATOM 0 H LYS A 6 69.447 13.019 -0.718 1.00 0.89 H new ATOM 0 HA LYS A 6 68.929 11.675 -3.162 1.00 1.01 H new ATOM 0 HB2 LYS A 6 68.490 14.417 -1.913 1.00 1.28 H new ATOM 0 HB3 LYS A 6 68.050 14.201 -3.596 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.078 13.681 -2.255 1.00 1.60 H new ATOM 0 HG3 LYS A 6 66.669 12.172 -2.923 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.809 11.611 -0.814 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.446 13.190 -0.145 1.00 2.04 H new ATOM 0 HE2 LYS A 6 65.839 11.326 0.613 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.036 12.711 -0.101 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.596 10.292 -1.018 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 64.675 11.609 -2.087 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 66.015 10.583 -1.904 1.00 3.24 H new ATOM 87 N ALA A 7 71.063 14.149 -3.541 1.00 1.07 N ATOM 88 CA ALA A 7 72.085 14.653 -4.503 1.00 1.20 C ATOM 89 C ALA A 7 72.958 13.498 -4.998 1.00 1.08 C ATOM 90 O ALA A 7 73.480 13.527 -6.094 1.00 1.19 O ATOM 91 CB ALA A 7 72.919 15.654 -3.704 1.00 1.36 C ATOM 0 H ALA A 7 70.986 14.678 -2.672 1.00 1.07 H new ATOM 0 HA ALA A 7 71.635 15.110 -5.384 1.00 1.20 H new ATOM 0 HB1 ALA A 7 73.697 16.072 -4.343 1.00 1.36 H new ATOM 0 HB2 ALA A 7 72.276 16.457 -3.343 1.00 1.36 H new ATOM 0 HB3 ALA A 7 73.380 15.148 -2.855 1.00 1.36 H new ATOM 97 N ALA A 8 73.122 12.479 -4.197 1.00 0.95 N ATOM 98 CA ALA A 8 73.960 11.324 -4.625 1.00 0.96 C ATOM 99 C ALA A 8 73.152 10.392 -5.532 1.00 0.90 C ATOM 100 O ALA A 8 73.559 10.075 -6.632 1.00 1.01 O ATOM 101 CB ALA A 8 74.348 10.613 -3.329 1.00 0.98 C ATOM 0 H ALA A 8 72.712 12.398 -3.267 1.00 0.95 H new ATOM 0 HA ALA A 8 74.836 11.637 -5.194 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.969 9.747 -3.561 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.905 11.299 -2.691 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.447 10.285 -2.810 1.00 0.98 H new ATOM 107 N VAL A 9 72.008 9.951 -5.082 1.00 0.83 N ATOM 108 CA VAL A 9 71.180 9.043 -5.925 1.00 0.82 C ATOM 109 C VAL A 9 70.870 9.712 -7.265 1.00 0.97 C ATOM 110 O VAL A 9 70.689 9.055 -8.271 1.00 1.02 O ATOM 111 CB VAL A 9 69.896 8.818 -5.124 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.877 8.066 -5.985 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.213 7.989 -3.875 1.00 0.70 C ATOM 0 H VAL A 9 71.613 10.180 -4.170 1.00 0.83 H new ATOM 0 HA VAL A 9 71.687 8.104 -6.147 1.00 0.82 H new ATOM 0 HB VAL A 9 69.481 9.782 -4.829 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.963 7.907 -5.412 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.650 8.652 -6.875 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.292 7.103 -6.281 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.299 7.828 -3.303 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.629 7.027 -4.173 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.937 8.522 -3.259 1.00 0.70 H new ATOM 123 N GLU A 10 70.810 11.016 -7.289 1.00 1.12 N ATOM 124 CA GLU A 10 70.515 11.725 -8.566 1.00 1.32 C ATOM 125 C GLU A 10 71.695 11.584 -9.530 1.00 1.37 C ATOM 126 O GLU A 10 71.540 11.657 -10.732 1.00 1.56 O ATOM 127 CB GLU A 10 70.313 13.187 -8.170 1.00 1.51 C ATOM 128 CG GLU A 10 68.832 13.549 -8.296 1.00 1.80 C ATOM 129 CD GLU A 10 68.497 14.682 -7.325 1.00 2.02 C ATOM 130 OE1 GLU A 10 69.389 15.103 -6.607 1.00 2.28 O ATOM 131 OE2 GLU A 10 67.354 15.110 -7.315 1.00 2.61 O ATOM 0 H GLU A 10 70.952 11.620 -6.480 1.00 1.12 H new ATOM 0 HA GLU A 10 69.640 11.319 -9.074 1.00 1.32 H new ATOM 0 HB2 GLU A 10 70.652 13.348 -7.147 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.912 13.834 -8.810 1.00 1.51 H new ATOM 0 HG2 GLU A 10 68.607 13.854 -9.318 1.00 1.80 H new ATOM 0 HG3 GLU A 10 68.214 12.677 -8.080 1.00 1.80 H new ATOM 138 N GLN A 11 72.874 11.381 -9.009 1.00 1.29 N ATOM 139 CA GLN A 11 74.065 11.232 -9.893 1.00 1.45 C ATOM 140 C GLN A 11 74.253 9.764 -10.282 1.00 1.35 C ATOM 141 O GLN A 11 75.203 9.404 -10.948 1.00 1.53 O ATOM 142 CB GLN A 11 75.246 11.723 -9.054 1.00 1.61 C ATOM 143 CG GLN A 11 75.349 13.246 -9.160 1.00 2.13 C ATOM 144 CD GLN A 11 75.896 13.816 -7.851 1.00 2.44 C ATOM 145 OE1 GLN A 11 76.630 13.152 -7.145 1.00 2.96 O ATOM 146 NE2 GLN A 11 75.568 15.028 -7.493 1.00 2.71 N ATOM 0 H GLN A 11 73.064 11.312 -8.009 1.00 1.29 H new ATOM 0 HA GLN A 11 73.965 11.795 -10.821 1.00 1.45 H new ATOM 0 HB2 GLN A 11 75.114 11.428 -8.013 1.00 1.61 H new ATOM 0 HB3 GLN A 11 76.170 11.260 -9.401 1.00 1.61 H new ATOM 0 HG2 GLN A 11 76.002 13.519 -9.988 1.00 2.13 H new ATOM 0 HG3 GLN A 11 74.369 13.673 -9.373 1.00 2.13 H new ATOM 0 HE21 GLN A 11 74.952 15.586 -8.085 1.00 2.71 H new ATOM 0 HE22 GLN A 11 75.928 15.417 -6.621 1.00 2.71 H new ATOM 155 N LEU A 12 73.352 8.913 -9.870 1.00 1.18 N ATOM 156 CA LEU A 12 73.476 7.468 -10.217 1.00 1.21 C ATOM 157 C LEU A 12 73.410 7.282 -11.735 1.00 1.11 C ATOM 158 O LEU A 12 73.041 8.180 -12.464 1.00 1.25 O ATOM 159 CB LEU A 12 72.280 6.794 -9.543 1.00 1.32 C ATOM 160 CG LEU A 12 72.682 6.309 -8.150 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.519 5.539 -7.523 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.899 5.388 -8.265 1.00 1.68 C ATOM 0 H LEU A 12 72.536 9.156 -9.308 1.00 1.18 H new ATOM 0 HA LEU A 12 74.424 7.044 -9.885 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.449 7.495 -9.469 1.00 1.32 H new ATOM 0 HB3 LEU A 12 71.936 5.954 -10.146 1.00 1.32 H new ATOM 0 HG LEU A 12 72.930 7.166 -7.523 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.805 5.193 -6.530 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.651 6.193 -7.443 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.271 4.681 -8.149 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.188 5.041 -7.273 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.649 4.531 -8.891 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.728 5.935 -8.713 1.00 1.68 H new ATOM 174 N THR A 13 73.766 6.123 -12.216 1.00 1.05 N ATOM 175 CA THR A 13 73.721 5.882 -13.686 1.00 1.13 C ATOM 176 C THR A 13 72.508 5.016 -14.039 1.00 0.94 C ATOM 177 O THR A 13 71.962 4.325 -13.202 1.00 0.87 O ATOM 178 CB THR A 13 75.022 5.144 -14.011 1.00 1.38 C ATOM 179 OG1 THR A 13 75.909 5.235 -12.905 1.00 1.89 O ATOM 180 CG2 THR A 13 75.672 5.778 -15.242 1.00 1.68 C ATOM 0 H THR A 13 74.086 5.333 -11.656 1.00 1.05 H new ATOM 0 HA THR A 13 73.629 6.808 -14.254 1.00 1.13 H new ATOM 0 HB THR A 13 74.804 4.095 -14.214 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.741 4.761 -13.113 1.00 1.89 H new ATOM 0 HG21 THR A 13 76.599 5.254 -15.475 1.00 1.68 H new ATOM 0 HG22 THR A 13 74.991 5.706 -16.090 1.00 1.68 H new ATOM 0 HG23 THR A 13 75.890 6.827 -15.039 1.00 1.68 H new ATOM 188 N GLU A 14 72.080 5.049 -15.272 1.00 0.94 N ATOM 189 CA GLU A 14 70.901 4.229 -15.674 1.00 0.90 C ATOM 190 C GLU A 14 71.128 2.762 -15.299 1.00 0.82 C ATOM 191 O GLU A 14 70.196 1.991 -15.183 1.00 0.82 O ATOM 192 CB GLU A 14 70.806 4.388 -17.191 1.00 1.05 C ATOM 193 CG GLU A 14 69.672 5.356 -17.532 1.00 2.10 C ATOM 194 CD GLU A 14 68.572 4.607 -18.288 1.00 2.64 C ATOM 195 OE1 GLU A 14 68.887 3.615 -18.922 1.00 3.31 O ATOM 196 OE2 GLU A 14 67.433 5.040 -18.218 1.00 2.91 O ATOM 0 H GLU A 14 72.495 5.608 -16.018 1.00 0.94 H new ATOM 0 HA GLU A 14 69.986 4.547 -15.175 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.750 4.762 -17.588 1.00 1.05 H new ATOM 0 HB3 GLU A 14 70.625 3.420 -17.658 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.267 5.795 -16.620 1.00 2.10 H new ATOM 0 HG3 GLU A 14 70.051 6.178 -18.140 1.00 2.10 H new ATOM 203 N GLU A 15 72.358 2.373 -15.108 1.00 0.92 N ATOM 204 CA GLU A 15 72.642 0.957 -14.739 1.00 1.01 C ATOM 205 C GLU A 15 72.375 0.739 -13.247 1.00 0.90 C ATOM 206 O GLU A 15 72.081 -0.357 -12.812 1.00 0.89 O ATOM 207 CB GLU A 15 74.124 0.754 -15.055 1.00 1.23 C ATOM 208 CG GLU A 15 74.409 -0.737 -15.241 1.00 1.92 C ATOM 209 CD GLU A 15 75.253 -1.245 -14.070 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.163 -0.538 -13.671 1.00 2.90 O ATOM 211 OE2 GLU A 15 74.974 -2.333 -13.594 1.00 2.80 O ATOM 0 H GLU A 15 73.178 2.973 -15.191 1.00 0.92 H new ATOM 0 HA GLU A 15 72.011 0.253 -15.282 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.392 1.301 -15.959 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.737 1.154 -14.247 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.473 -1.293 -15.297 1.00 1.92 H new ATOM 0 HG3 GLU A 15 74.935 -0.903 -16.181 1.00 1.92 H new ATOM 218 N GLN A 16 72.474 1.777 -12.461 1.00 0.89 N ATOM 219 CA GLN A 16 72.224 1.631 -10.998 1.00 0.87 C ATOM 220 C GLN A 16 70.724 1.720 -10.708 1.00 0.68 C ATOM 221 O GLN A 16 70.179 0.937 -9.956 1.00 0.67 O ATOM 222 CB GLN A 16 72.965 2.802 -10.351 1.00 0.97 C ATOM 223 CG GLN A 16 74.464 2.674 -10.628 1.00 1.77 C ATOM 224 CD GLN A 16 75.218 2.548 -9.303 1.00 2.15 C ATOM 225 OE1 GLN A 16 74.615 2.364 -8.264 1.00 2.42 O ATOM 226 NE2 GLN A 16 76.519 2.637 -9.294 1.00 2.61 N ATOM 0 H GLN A 16 72.717 2.719 -12.768 1.00 0.89 H new ATOM 0 HA GLN A 16 72.566 0.670 -10.614 1.00 0.87 H new ATOM 0 HB2 GLN A 16 72.591 3.746 -10.747 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.783 2.812 -9.276 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.656 1.802 -11.253 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.819 3.545 -11.179 1.00 1.77 H new ATOM 0 HE21 GLN A 16 77.026 2.791 -10.166 1.00 2.61 H new ATOM 0 HE22 GLN A 16 77.030 2.552 -8.415 1.00 2.61 H new ATOM 235 N LYS A 17 70.051 2.671 -11.299 1.00 0.63 N ATOM 236 CA LYS A 17 68.587 2.808 -11.056 1.00 0.62 C ATOM 237 C LYS A 17 67.844 1.594 -11.621 1.00 0.60 C ATOM 238 O LYS A 17 66.753 1.270 -11.197 1.00 0.66 O ATOM 239 CB LYS A 17 68.178 4.078 -11.800 1.00 0.74 C ATOM 240 CG LYS A 17 69.135 5.214 -11.439 1.00 1.21 C ATOM 241 CD LYS A 17 68.398 6.552 -11.532 1.00 1.31 C ATOM 242 CE LYS A 17 69.307 7.674 -11.026 1.00 1.43 C ATOM 243 NZ LYS A 17 68.894 8.879 -11.797 1.00 2.06 N ATOM 0 H LYS A 17 70.452 3.357 -11.938 1.00 0.63 H new ATOM 0 HA LYS A 17 68.348 2.864 -9.994 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.195 3.903 -12.876 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.156 4.352 -11.538 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.523 5.070 -10.431 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.991 5.211 -12.114 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.104 6.746 -12.563 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.483 6.517 -10.941 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.184 7.829 -9.954 1.00 1.43 H new ATOM 0 HE3 LYS A 17 70.358 7.438 -11.195 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 69.473 9.693 -11.506 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 69.029 8.704 -12.813 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.891 9.083 -11.611 1.00 2.06 H new ATOM 257 N ASN A 18 68.429 0.922 -12.574 1.00 0.70 N ATOM 258 CA ASN A 18 67.758 -0.269 -13.167 1.00 0.85 C ATOM 259 C ASN A 18 67.919 -1.482 -12.246 1.00 0.70 C ATOM 260 O ASN A 18 67.106 -2.386 -12.246 1.00 0.66 O ATOM 261 CB ASN A 18 68.477 -0.507 -14.495 1.00 1.11 C ATOM 262 CG ASN A 18 67.791 0.299 -15.598 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.583 0.440 -15.603 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.513 0.839 -16.541 1.00 2.13 N ATOM 0 H ASN A 18 69.343 1.146 -12.968 1.00 0.70 H new ATOM 0 HA ASN A 18 66.688 -0.114 -13.303 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.523 -0.213 -14.412 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.463 -1.568 -14.743 1.00 1.11 H new ATOM 0 HD21 ASN A 18 68.064 1.379 -17.281 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.526 0.722 -16.538 1.00 2.13 H new ATOM 271 N GLU A 19 68.961 -1.510 -11.463 1.00 0.76 N ATOM 272 CA GLU A 19 69.173 -2.664 -10.545 1.00 0.79 C ATOM 273 C GLU A 19 68.394 -2.456 -9.243 1.00 0.65 C ATOM 274 O GLU A 19 67.882 -3.391 -8.659 1.00 0.66 O ATOM 275 CB GLU A 19 70.677 -2.682 -10.274 1.00 0.98 C ATOM 276 CG GLU A 19 71.222 -4.091 -10.507 1.00 1.21 C ATOM 277 CD GLU A 19 71.806 -4.188 -11.918 1.00 1.82 C ATOM 278 OE1 GLU A 19 72.845 -3.594 -12.150 1.00 2.53 O ATOM 279 OE2 GLU A 19 71.204 -4.857 -12.742 1.00 2.44 O ATOM 0 H GLU A 19 69.675 -0.783 -11.419 1.00 0.76 H new ATOM 0 HA GLU A 19 68.825 -3.603 -10.975 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.183 -1.972 -10.928 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.876 -2.369 -9.249 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.989 -4.322 -9.768 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.426 -4.825 -10.380 1.00 1.21 H new ATOM 286 N PHE A 20 68.299 -1.238 -8.784 1.00 0.67 N ATOM 287 CA PHE A 20 67.551 -0.975 -7.522 1.00 0.75 C ATOM 288 C PHE A 20 66.043 -1.046 -7.779 1.00 0.66 C ATOM 289 O PHE A 20 65.315 -1.715 -7.073 1.00 0.79 O ATOM 290 CB PHE A 20 67.957 0.439 -7.106 1.00 0.97 C ATOM 291 CG PHE A 20 69.455 0.503 -6.911 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.157 -0.631 -6.482 1.00 2.24 C ATOM 293 CD2 PHE A 20 70.140 1.699 -7.157 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.544 -0.567 -6.302 1.00 3.29 C ATOM 295 CE2 PHE A 20 71.527 1.761 -6.977 1.00 3.36 C ATOM 296 CZ PHE A 20 72.229 0.628 -6.549 1.00 3.69 C ATOM 0 H PHE A 20 68.706 -0.415 -9.228 1.00 0.67 H new ATOM 0 HA PHE A 20 67.778 -1.708 -6.747 1.00 0.75 H new ATOM 0 HB2 PHE A 20 67.649 1.155 -7.868 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.448 0.717 -6.183 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.629 -1.553 -6.290 1.00 2.24 H new ATOM 0 HD2 PHE A 20 69.598 2.574 -7.486 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.086 -1.441 -5.972 1.00 3.29 H new ATOM 0 HE2 PHE A 20 72.056 2.683 -7.168 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.299 0.676 -6.409 1.00 3.69 H new ATOM 306 N LYS A 21 65.569 -0.364 -8.786 1.00 0.60 N ATOM 307 CA LYS A 21 64.108 -0.397 -9.087 1.00 0.65 C ATOM 308 C LYS A 21 63.656 -1.840 -9.329 1.00 0.57 C ATOM 309 O LYS A 21 62.653 -2.283 -8.804 1.00 0.57 O ATOM 310 CB LYS A 21 63.944 0.438 -10.357 1.00 0.78 C ATOM 311 CG LYS A 21 63.643 1.888 -9.978 1.00 1.27 C ATOM 312 CD LYS A 21 64.709 2.807 -10.580 1.00 1.58 C ATOM 313 CE LYS A 21 64.184 4.244 -10.616 1.00 2.42 C ATOM 314 NZ LYS A 21 63.683 4.435 -12.007 1.00 2.88 N ATOM 0 H LYS A 21 66.129 0.214 -9.413 1.00 0.60 H new ATOM 0 HA LYS A 21 63.506 -0.007 -8.266 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.853 0.389 -10.957 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.136 0.035 -10.968 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.656 2.172 -10.342 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.626 1.995 -8.893 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.623 2.757 -9.988 1.00 1.58 H new ATOM 0 HD3 LYS A 21 64.963 2.476 -11.587 1.00 1.58 H new ATOM 0 HE2 LYS A 21 63.388 4.392 -9.886 1.00 2.42 H new ATOM 0 HE3 LYS A 21 64.972 4.959 -10.378 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 63.306 5.399 -12.111 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 64.464 4.294 -12.680 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 62.929 3.746 -12.202 1.00 2.88 H new ATOM 328 N ALA A 22 64.389 -2.576 -10.117 1.00 0.59 N ATOM 329 CA ALA A 22 64.004 -3.990 -10.391 1.00 0.62 C ATOM 330 C ALA A 22 64.220 -4.846 -9.141 1.00 0.50 C ATOM 331 O ALA A 22 63.322 -5.520 -8.675 1.00 0.50 O ATOM 332 CB ALA A 22 64.933 -4.444 -11.517 1.00 0.76 C ATOM 0 H ALA A 22 65.239 -2.260 -10.584 1.00 0.59 H new ATOM 0 HA ALA A 22 62.954 -4.086 -10.666 1.00 0.62 H new ATOM 0 HB1 ALA A 22 64.711 -5.479 -11.777 1.00 0.76 H new ATOM 0 HB2 ALA A 22 64.782 -3.810 -12.391 1.00 0.76 H new ATOM 0 HB3 ALA A 22 65.969 -4.367 -11.187 1.00 0.76 H new ATOM 338 N ALA A 23 65.405 -4.825 -8.595 1.00 0.50 N ATOM 339 CA ALA A 23 65.677 -5.638 -7.375 1.00 0.53 C ATOM 340 C ALA A 23 64.566 -5.429 -6.344 1.00 0.46 C ATOM 341 O ALA A 23 63.970 -6.370 -5.861 1.00 0.52 O ATOM 342 CB ALA A 23 67.012 -5.117 -6.842 1.00 0.64 C ATOM 0 H ALA A 23 66.196 -4.281 -8.940 1.00 0.50 H new ATOM 0 HA ALA A 23 65.714 -6.706 -7.588 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.283 -5.667 -5.941 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.785 -5.256 -7.598 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.921 -4.057 -6.607 1.00 0.64 H new ATOM 348 N PHE A 24 64.284 -4.202 -6.005 1.00 0.47 N ATOM 349 CA PHE A 24 63.211 -3.932 -5.005 1.00 0.57 C ATOM 350 C PHE A 24 61.936 -4.694 -5.380 1.00 0.48 C ATOM 351 O PHE A 24 61.287 -5.287 -4.541 1.00 0.51 O ATOM 352 CB PHE A 24 62.975 -2.424 -5.077 1.00 0.77 C ATOM 353 CG PHE A 24 61.787 -2.061 -4.219 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.489 -2.328 -4.672 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.983 -1.458 -2.972 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.388 -1.993 -3.876 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.881 -1.122 -2.176 1.00 1.62 C ATOM 358 CZ PHE A 24 59.584 -1.390 -2.628 1.00 1.25 C ATOM 0 H PHE A 24 64.749 -3.374 -6.377 1.00 0.47 H new ATOM 0 HA PHE A 24 63.490 -4.254 -4.001 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.861 -1.889 -4.735 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.798 -2.121 -6.109 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.338 -2.792 -5.635 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.984 -1.252 -2.623 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.387 -2.200 -4.225 1.00 1.72 H new ATOM 0 HE2 PHE A 24 61.032 -0.656 -1.213 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.734 -1.132 -2.014 1.00 1.25 H new ATOM 368 N ASP A 25 61.573 -4.683 -6.633 1.00 0.45 N ATOM 369 CA ASP A 25 60.340 -5.407 -7.060 1.00 0.53 C ATOM 370 C ASP A 25 60.566 -6.920 -6.991 1.00 0.52 C ATOM 371 O ASP A 25 59.652 -7.683 -6.757 1.00 0.60 O ATOM 372 CB ASP A 25 60.102 -4.965 -8.506 1.00 0.66 C ATOM 373 CG ASP A 25 59.141 -3.775 -8.525 1.00 0.98 C ATOM 374 OD1 ASP A 25 57.945 -4.006 -8.589 1.00 1.55 O ATOM 375 OD2 ASP A 25 59.618 -2.653 -8.475 1.00 1.52 O ATOM 0 H ASP A 25 62.076 -4.204 -7.380 1.00 0.45 H new ATOM 0 HA ASP A 25 59.486 -5.184 -6.420 1.00 0.53 H new ATOM 0 HB2 ASP A 25 61.047 -4.690 -8.974 1.00 0.66 H new ATOM 0 HB3 ASP A 25 59.688 -5.790 -9.086 1.00 0.66 H new ATOM 380 N ILE A 26 61.779 -7.356 -7.192 1.00 0.50 N ATOM 381 CA ILE A 26 62.065 -8.819 -7.138 1.00 0.63 C ATOM 382 C ILE A 26 62.190 -9.281 -5.684 1.00 0.70 C ATOM 383 O ILE A 26 62.289 -10.458 -5.404 1.00 0.94 O ATOM 384 CB ILE A 26 63.398 -8.985 -7.868 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.292 -8.368 -9.264 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.730 -10.474 -7.992 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.691 -8.040 -9.789 1.00 0.69 C ATOM 0 H ILE A 26 62.585 -6.763 -7.391 1.00 0.50 H new ATOM 0 HA ILE A 26 61.272 -9.413 -7.592 1.00 0.63 H new ATOM 0 HB ILE A 26 64.186 -8.483 -7.307 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.792 -9.060 -9.941 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.685 -7.463 -9.227 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.680 -10.593 -8.512 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.803 -10.914 -6.998 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.943 -10.977 -8.554 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.613 -7.601 -10.783 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.175 -7.332 -9.117 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.283 -8.954 -9.842 1.00 0.69 H new ATOM 399 N PHE A 27 62.186 -8.362 -4.758 1.00 0.61 N ATOM 400 CA PHE A 27 62.307 -8.751 -3.324 1.00 0.79 C ATOM 401 C PHE A 27 61.040 -8.366 -2.557 1.00 0.76 C ATOM 402 O PHE A 27 60.660 -9.016 -1.603 1.00 1.03 O ATOM 403 CB PHE A 27 63.510 -7.966 -2.802 1.00 0.91 C ATOM 404 CG PHE A 27 64.778 -8.729 -3.103 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.048 -9.930 -2.435 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.684 -8.236 -4.049 1.00 2.07 C ATOM 407 CE1 PHE A 27 66.223 -10.637 -2.713 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.860 -8.945 -4.327 1.00 2.83 C ATOM 409 CZ PHE A 27 67.129 -10.144 -3.659 1.00 3.21 C ATOM 0 H PHE A 27 62.104 -7.360 -4.931 1.00 0.61 H new ATOM 0 HA PHE A 27 62.435 -9.826 -3.199 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.546 -6.982 -3.269 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.415 -7.806 -1.728 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.349 -10.311 -1.705 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.477 -7.310 -4.564 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.431 -11.563 -2.198 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.559 -8.566 -5.057 1.00 2.83 H new ATOM 0 HZ PHE A 27 68.036 -10.690 -3.873 1.00 3.21 H new ATOM 419 N VAL A 28 60.378 -7.316 -2.965 1.00 0.63 N ATOM 420 CA VAL A 28 59.138 -6.897 -2.257 1.00 0.65 C ATOM 421 C VAL A 28 58.007 -7.886 -2.564 1.00 0.65 C ATOM 422 O VAL A 28 56.939 -7.822 -1.987 1.00 0.74 O ATOM 423 CB VAL A 28 58.838 -5.494 -2.803 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.328 -5.267 -2.918 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.428 -4.456 -1.850 1.00 1.47 C ATOM 0 H VAL A 28 60.644 -6.732 -3.758 1.00 0.63 H new ATOM 0 HA VAL A 28 59.243 -6.884 -1.172 1.00 0.65 H new ATOM 0 HB VAL A 28 59.281 -5.399 -3.794 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.139 -4.266 -3.307 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.899 -6.006 -3.595 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.869 -5.367 -1.934 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.221 -3.455 -2.229 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.979 -4.571 -0.863 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.506 -4.600 -1.777 1.00 1.47 H new ATOM 435 N LEU A 29 58.237 -8.801 -3.462 1.00 0.92 N ATOM 436 CA LEU A 29 57.182 -9.796 -3.801 1.00 0.99 C ATOM 437 C LEU A 29 56.648 -10.450 -2.527 1.00 0.99 C ATOM 438 O LEU A 29 55.498 -10.834 -2.446 1.00 1.10 O ATOM 439 CB LEU A 29 57.892 -10.831 -4.666 1.00 1.43 C ATOM 440 CG LEU A 29 57.484 -10.651 -6.128 1.00 1.74 C ATOM 441 CD1 LEU A 29 57.566 -9.170 -6.506 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.430 -11.456 -7.023 1.00 2.45 C ATOM 0 H LEU A 29 59.111 -8.904 -3.977 1.00 0.92 H new ATOM 0 HA LEU A 29 56.331 -9.343 -4.310 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.972 -10.724 -4.564 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.638 -11.836 -4.329 1.00 1.43 H new ATOM 0 HG LEU A 29 56.462 -11.004 -6.264 1.00 1.74 H new ATOM 0 HD11 LEU A 29 57.275 -9.044 -7.549 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.894 -8.594 -5.869 1.00 2.11 H new ATOM 0 HD13 LEU A 29 58.588 -8.816 -6.369 1.00 2.11 H new ATOM 0 HD21 LEU A 29 58.140 -11.329 -8.066 1.00 2.45 H new ATOM 0 HD22 LEU A 29 59.451 -11.102 -6.884 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.373 -12.511 -6.757 1.00 2.45 H new ATOM 454 N GLY A 30 57.477 -10.575 -1.529 1.00 1.16 N ATOM 455 CA GLY A 30 57.024 -11.200 -0.255 1.00 1.58 C ATOM 456 C GLY A 30 56.861 -10.114 0.808 1.00 1.39 C ATOM 457 O GLY A 30 56.492 -10.382 1.934 1.00 1.89 O ATOM 0 H GLY A 30 58.451 -10.271 -1.540 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.079 -11.721 -0.408 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.748 -11.944 0.076 1.00 1.58 H new ATOM 461 N ALA A 31 57.136 -8.888 0.455 1.00 0.90 N ATOM 462 CA ALA A 31 57.000 -7.776 1.440 1.00 0.95 C ATOM 463 C ALA A 31 55.607 -7.796 2.075 1.00 1.15 C ATOM 464 O ALA A 31 54.852 -8.733 1.908 1.00 1.41 O ATOM 465 CB ALA A 31 57.197 -6.498 0.622 1.00 0.97 C ATOM 0 H ALA A 31 57.449 -8.607 -0.474 1.00 0.90 H new ATOM 0 HA ALA A 31 57.720 -7.856 2.254 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.112 -5.630 1.276 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.185 -6.509 0.162 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.435 -6.443 -0.155 1.00 0.97 H new ATOM 471 N GLU A 32 55.259 -6.770 2.803 1.00 1.35 N ATOM 472 CA GLU A 32 53.915 -6.738 3.446 1.00 1.90 C ATOM 473 C GLU A 32 53.200 -5.423 3.121 1.00 2.05 C ATOM 474 O GLU A 32 51.997 -5.387 2.946 1.00 2.79 O ATOM 475 CB GLU A 32 54.193 -6.844 4.946 1.00 2.37 C ATOM 476 CG GLU A 32 53.089 -7.668 5.613 1.00 2.44 C ATOM 477 CD GLU A 32 53.491 -7.988 7.055 1.00 2.83 C ATOM 478 OE1 GLU A 32 54.037 -7.113 7.705 1.00 3.24 O ATOM 479 OE2 GLU A 32 53.245 -9.105 7.482 1.00 3.29 O ATOM 0 H GLU A 32 55.846 -5.955 2.980 1.00 1.35 H new ATOM 0 HA GLU A 32 53.269 -7.542 3.093 1.00 1.90 H new ATOM 0 HB2 GLU A 32 55.163 -7.312 5.115 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.237 -5.849 5.390 1.00 2.37 H new ATOM 0 HG2 GLU A 32 52.150 -7.115 5.600 1.00 2.44 H new ATOM 0 HG3 GLU A 32 52.923 -8.591 5.057 1.00 2.44 H new ATOM 486 N ASP A 33 53.927 -4.342 3.036 1.00 1.80 N ATOM 487 CA ASP A 33 53.282 -3.034 2.721 1.00 2.11 C ATOM 488 C ASP A 33 54.009 -2.353 1.557 1.00 1.47 C ATOM 489 O ASP A 33 54.129 -1.146 1.511 1.00 1.80 O ATOM 490 CB ASP A 33 53.419 -2.206 3.998 1.00 3.12 C ATOM 491 CG ASP A 33 52.572 -2.834 5.108 1.00 3.68 C ATOM 492 OD1 ASP A 33 51.535 -3.393 4.789 1.00 4.12 O ATOM 493 OD2 ASP A 33 52.974 -2.745 6.256 1.00 4.09 O ATOM 0 H ASP A 33 54.937 -4.307 3.171 1.00 1.80 H new ATOM 0 HA ASP A 33 52.240 -3.149 2.421 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.464 -2.161 4.305 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.096 -1.181 3.816 1.00 3.12 H new ATOM 498 N GLY A 34 54.491 -3.119 0.618 1.00 1.10 N ATOM 499 CA GLY A 34 55.206 -2.515 -0.543 1.00 1.40 C ATOM 500 C GLY A 34 56.542 -1.934 -0.075 1.00 1.17 C ATOM 501 O GLY A 34 56.895 -0.820 -0.407 1.00 1.39 O ATOM 0 H GLY A 34 54.421 -4.137 0.604 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.375 -3.269 -1.312 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.595 -1.733 -0.993 1.00 1.40 H new ATOM 505 N SER A 35 57.290 -2.681 0.691 1.00 0.84 N ATOM 506 CA SER A 35 58.605 -2.169 1.175 1.00 0.70 C ATOM 507 C SER A 35 59.543 -3.335 1.493 1.00 0.67 C ATOM 508 O SER A 35 59.322 -4.454 1.074 1.00 0.80 O ATOM 509 CB SER A 35 58.281 -1.380 2.442 1.00 0.75 C ATOM 510 OG SER A 35 57.771 -2.267 3.430 1.00 1.04 O ATOM 0 H SER A 35 57.048 -3.622 1.002 1.00 0.84 H new ATOM 0 HA SER A 35 59.108 -1.553 0.429 1.00 0.70 H new ATOM 0 HB2 SER A 35 59.176 -0.881 2.812 1.00 0.75 H new ATOM 0 HB3 SER A 35 57.550 -0.602 2.223 1.00 0.75 H new ATOM 0 HG SER A 35 57.564 -1.764 4.245 1.00 1.04 H new ATOM 516 N ILE A 36 60.590 -3.082 2.228 1.00 0.69 N ATOM 517 CA ILE A 36 61.544 -4.179 2.567 1.00 0.78 C ATOM 518 C ILE A 36 62.078 -3.981 3.990 1.00 0.71 C ATOM 519 O ILE A 36 62.854 -3.085 4.253 1.00 0.98 O ATOM 520 CB ILE A 36 62.692 -4.082 1.545 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.231 -3.354 0.274 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.146 -5.491 1.167 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.328 -3.432 -0.788 1.00 1.22 C ATOM 0 H ILE A 36 60.827 -2.166 2.609 1.00 0.69 H new ATOM 0 HA ILE A 36 61.064 -5.157 2.527 1.00 0.78 H new ATOM 0 HB ILE A 36 63.512 -3.522 1.996 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.313 -3.805 -0.103 1.00 1.09 H new ATOM 0 HG13 ILE A 36 62.004 -2.312 0.501 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.959 -5.429 0.443 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.493 -6.013 2.059 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.311 -6.037 0.729 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.999 -2.915 -1.689 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.235 -2.961 -0.410 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.533 -4.476 -1.023 1.00 1.22 H new ATOM 535 N SER A 37 61.662 -4.809 4.911 1.00 0.87 N ATOM 536 CA SER A 37 62.141 -4.665 6.316 1.00 0.87 C ATOM 537 C SER A 37 63.547 -5.253 6.463 1.00 0.76 C ATOM 538 O SER A 37 63.946 -6.125 5.720 1.00 0.87 O ATOM 539 CB SER A 37 61.140 -5.455 7.158 1.00 1.12 C ATOM 540 OG SER A 37 61.830 -6.115 8.212 1.00 1.52 O ATOM 0 H SER A 37 61.012 -5.578 4.751 1.00 0.87 H new ATOM 0 HA SER A 37 62.202 -3.621 6.625 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.383 -4.786 7.567 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.619 -6.184 6.536 1.00 1.12 H new ATOM 0 HG SER A 37 61.190 -6.621 8.755 1.00 1.52 H new ATOM 546 N THR A 38 64.301 -4.779 7.418 1.00 0.71 N ATOM 547 CA THR A 38 65.684 -5.308 7.612 1.00 0.65 C ATOM 548 C THR A 38 65.681 -6.840 7.589 1.00 0.70 C ATOM 549 O THR A 38 66.670 -7.464 7.261 1.00 1.37 O ATOM 550 CB THR A 38 66.132 -4.793 8.983 1.00 0.76 C ATOM 551 OG1 THR A 38 67.204 -5.593 9.460 1.00 1.55 O ATOM 552 CG2 THR A 38 64.965 -4.864 9.965 1.00 1.00 C ATOM 0 H THR A 38 64.020 -4.049 8.072 1.00 0.71 H new ATOM 0 HA THR A 38 66.356 -4.981 6.819 1.00 0.65 H new ATOM 0 HB THR A 38 66.462 -3.758 8.891 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.185 -5.615 10.440 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.287 -4.497 10.940 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.143 -4.249 9.599 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.631 -5.897 10.059 1.00 1.00 H new ATOM 560 N LYS A 39 64.580 -7.449 7.930 1.00 0.60 N ATOM 561 CA LYS A 39 64.523 -8.939 7.923 1.00 0.66 C ATOM 562 C LYS A 39 64.218 -9.442 6.511 1.00 0.64 C ATOM 563 O LYS A 39 64.637 -10.511 6.114 1.00 0.87 O ATOM 564 CB LYS A 39 63.386 -9.300 8.879 1.00 0.81 C ATOM 565 CG LYS A 39 63.496 -10.774 9.268 1.00 1.42 C ATOM 566 CD LYS A 39 62.956 -11.645 8.133 1.00 1.58 C ATOM 567 CE LYS A 39 64.040 -12.629 7.684 1.00 2.15 C ATOM 568 NZ LYS A 39 63.770 -13.876 8.451 1.00 2.80 N ATOM 0 H LYS A 39 63.719 -6.982 8.213 1.00 0.60 H new ATOM 0 HA LYS A 39 65.466 -9.392 8.228 1.00 0.66 H new ATOM 0 HB2 LYS A 39 63.433 -8.673 9.770 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.423 -9.109 8.405 1.00 0.81 H new ATOM 0 HG2 LYS A 39 64.535 -11.030 9.473 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.935 -10.962 10.183 1.00 1.42 H new ATOM 0 HD2 LYS A 39 62.072 -12.189 8.467 1.00 1.58 H new ATOM 0 HD3 LYS A 39 62.648 -11.019 7.295 1.00 1.58 H new ATOM 0 HE2 LYS A 39 63.990 -12.808 6.610 1.00 2.15 H new ATOM 0 HE3 LYS A 39 65.037 -12.243 7.897 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 64.473 -14.599 8.197 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 63.831 -13.677 9.470 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 62.817 -14.225 8.223 1.00 2.80 H new ATOM 582 N GLU A 40 63.491 -8.673 5.750 1.00 0.63 N ATOM 583 CA GLU A 40 63.154 -9.094 4.362 1.00 0.68 C ATOM 584 C GLU A 40 64.127 -8.436 3.374 1.00 0.66 C ATOM 585 O GLU A 40 64.378 -8.946 2.300 1.00 0.83 O ATOM 586 CB GLU A 40 61.704 -8.610 4.162 1.00 0.86 C ATOM 587 CG GLU A 40 61.517 -8.002 2.768 1.00 1.05 C ATOM 588 CD GLU A 40 61.742 -9.080 1.704 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.091 -10.108 1.785 1.00 2.32 O ATOM 590 OE2 GLU A 40 62.559 -8.857 0.828 1.00 1.92 O ATOM 0 H GLU A 40 63.114 -7.768 6.031 1.00 0.63 H new ATOM 0 HA GLU A 40 63.238 -10.168 4.196 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.016 -9.445 4.294 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.456 -7.869 4.922 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.514 -7.586 2.673 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.218 -7.180 2.622 1.00 1.05 H new ATOM 597 N LEU A 41 64.676 -7.308 3.733 1.00 0.73 N ATOM 598 CA LEU A 41 65.634 -6.618 2.822 1.00 0.80 C ATOM 599 C LEU A 41 67.016 -7.268 2.920 1.00 0.72 C ATOM 600 O LEU A 41 67.854 -7.100 2.055 1.00 0.81 O ATOM 601 CB LEU A 41 65.682 -5.173 3.323 1.00 1.10 C ATOM 602 CG LEU A 41 66.906 -4.467 2.735 1.00 1.23 C ATOM 603 CD1 LEU A 41 66.521 -3.050 2.307 1.00 1.94 C ATOM 604 CD2 LEU A 41 68.011 -4.395 3.792 1.00 1.83 C ATOM 0 H LEU A 41 64.503 -6.833 4.619 1.00 0.73 H new ATOM 0 HA LEU A 41 65.330 -6.677 1.777 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.772 -4.647 3.034 1.00 1.10 H new ATOM 0 HB3 LEU A 41 65.728 -5.156 4.412 1.00 1.10 H new ATOM 0 HG LEU A 41 67.265 -5.025 1.870 1.00 1.23 H new ATOM 0 HD11 LEU A 41 67.393 -2.547 1.888 1.00 1.94 H new ATOM 0 HD12 LEU A 41 65.734 -3.098 1.555 1.00 1.94 H new ATOM 0 HD13 LEU A 41 66.162 -2.493 3.173 1.00 1.94 H new ATOM 0 HD21 LEU A 41 68.883 -3.892 3.373 1.00 1.83 H new ATOM 0 HD22 LEU A 41 67.651 -3.838 4.657 1.00 1.83 H new ATOM 0 HD23 LEU A 41 68.287 -5.404 4.099 1.00 1.83 H new ATOM 616 N GLY A 42 67.260 -8.008 3.966 1.00 0.72 N ATOM 617 CA GLY A 42 68.588 -8.667 4.117 1.00 0.91 C ATOM 618 C GLY A 42 68.916 -9.447 2.842 1.00 0.78 C ATOM 619 O GLY A 42 70.063 -9.587 2.466 1.00 0.84 O ATOM 0 H GLY A 42 66.598 -8.185 4.722 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.358 -7.919 4.307 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.577 -9.339 4.975 1.00 0.91 H new ATOM 623 N LYS A 43 67.916 -9.955 2.175 1.00 0.77 N ATOM 624 CA LYS A 43 68.169 -10.726 0.924 1.00 0.86 C ATOM 625 C LYS A 43 68.432 -9.769 -0.243 1.00 0.79 C ATOM 626 O LYS A 43 68.993 -10.146 -1.253 1.00 0.99 O ATOM 627 CB LYS A 43 66.887 -11.524 0.684 1.00 0.95 C ATOM 628 CG LYS A 43 66.888 -12.774 1.566 1.00 1.34 C ATOM 629 CD LYS A 43 65.446 -13.195 1.857 1.00 2.13 C ATOM 630 CE LYS A 43 65.277 -13.433 3.359 1.00 2.65 C ATOM 631 NZ LYS A 43 64.968 -14.884 3.486 1.00 2.98 N ATOM 0 H LYS A 43 66.935 -9.870 2.442 1.00 0.77 H new ATOM 0 HA LYS A 43 69.042 -11.373 1.007 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.016 -10.909 0.909 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.814 -11.807 -0.366 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.421 -13.584 1.067 1.00 1.34 H new ATOM 0 HG3 LYS A 43 67.415 -12.573 2.499 1.00 1.34 H new ATOM 0 HD2 LYS A 43 64.755 -12.422 1.521 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.202 -14.102 1.305 1.00 2.13 H new ATOM 0 HE2 LYS A 43 66.184 -13.173 3.904 1.00 2.65 H new ATOM 0 HE3 LYS A 43 64.473 -12.821 3.768 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 64.838 -15.125 4.489 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 64.096 -15.100 2.962 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 65.754 -15.442 3.095 1.00 2.98 H new ATOM 645 N VAL A 44 68.028 -8.536 -0.112 1.00 0.72 N ATOM 646 CA VAL A 44 68.253 -7.557 -1.215 1.00 0.93 C ATOM 647 C VAL A 44 69.657 -6.953 -1.112 1.00 0.89 C ATOM 648 O VAL A 44 70.347 -6.792 -2.099 1.00 1.06 O ATOM 649 CB VAL A 44 67.190 -6.478 -1.009 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.264 -5.464 -2.152 1.00 1.72 C ATOM 651 CG2 VAL A 44 65.804 -7.125 -0.994 1.00 1.80 C ATOM 0 H VAL A 44 67.552 -8.163 0.710 1.00 0.72 H new ATOM 0 HA VAL A 44 68.180 -8.021 -2.199 1.00 0.93 H new ATOM 0 HB VAL A 44 67.367 -5.971 -0.060 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.506 -4.694 -2.005 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.252 -5.003 -2.166 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.087 -5.971 -3.100 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.045 -6.356 -0.847 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.629 -7.631 -1.943 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.749 -7.849 -0.181 1.00 1.80 H new ATOM 661 N MET A 45 70.081 -6.617 0.074 1.00 0.86 N ATOM 662 CA MET A 45 71.439 -6.021 0.241 1.00 1.06 C ATOM 663 C MET A 45 72.519 -7.050 -0.102 1.00 1.08 C ATOM 664 O MET A 45 73.476 -6.754 -0.790 1.00 1.14 O ATOM 665 CB MET A 45 71.521 -5.642 1.719 1.00 1.34 C ATOM 666 CG MET A 45 70.915 -4.253 1.928 1.00 1.88 C ATOM 667 SD MET A 45 72.130 -2.989 1.474 1.00 2.45 S ATOM 668 CE MET A 45 72.667 -2.578 3.152 1.00 3.35 C ATOM 0 H MET A 45 69.547 -6.729 0.936 1.00 0.86 H new ATOM 0 HA MET A 45 71.596 -5.165 -0.415 1.00 1.06 H new ATOM 0 HB2 MET A 45 70.988 -6.377 2.323 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.560 -5.650 2.050 1.00 1.34 H new ATOM 0 HG2 MET A 45 70.016 -4.142 1.322 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.616 -4.128 2.969 1.00 1.88 H new ATOM 0 HE1 MET A 45 72.423 -1.538 3.368 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.158 -3.226 3.866 1.00 3.35 H new ATOM 0 HE3 MET A 45 73.744 -2.723 3.235 1.00 3.35 H new ATOM 678 N ARG A 46 72.376 -8.253 0.379 1.00 1.20 N ATOM 679 CA ARG A 46 73.395 -9.300 0.088 1.00 1.46 C ATOM 680 C ARG A 46 73.388 -9.656 -1.400 1.00 1.52 C ATOM 681 O ARG A 46 74.361 -10.153 -1.934 1.00 1.73 O ATOM 682 CB ARG A 46 72.972 -10.505 0.929 1.00 1.74 C ATOM 683 CG ARG A 46 74.125 -11.506 1.002 1.00 1.93 C ATOM 684 CD ARG A 46 73.837 -12.688 0.075 1.00 2.48 C ATOM 685 NE ARG A 46 74.790 -13.750 0.501 1.00 2.64 N ATOM 686 CZ ARG A 46 74.456 -15.007 0.395 1.00 3.08 C ATOM 687 NH1 ARG A 46 73.711 -15.565 1.311 1.00 3.41 N ATOM 688 NH2 ARG A 46 74.868 -15.707 -0.627 1.00 3.64 N ATOM 0 H ARG A 46 71.596 -8.557 0.962 1.00 1.20 H new ATOM 0 HA ARG A 46 74.405 -8.967 0.326 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.693 -10.182 1.932 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.093 -10.978 0.490 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.058 -11.023 0.713 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.252 -11.856 2.026 1.00 1.93 H new ATOM 0 HD2 ARG A 46 72.804 -13.023 0.171 1.00 2.48 H new ATOM 0 HD3 ARG A 46 73.989 -12.417 -0.970 1.00 2.48 H new ATOM 0 HE ARG A 46 75.704 -13.495 0.876 1.00 2.64 H new ATOM 0 HH11 ARG A 46 73.390 -15.018 2.110 1.00 3.41 H new ATOM 0 HH12 ARG A 46 73.450 -16.548 1.227 1.00 3.41 H new ATOM 0 HH21 ARG A 46 75.451 -15.271 -1.342 1.00 3.64 H new ATOM 0 HH22 ARG A 46 74.607 -16.690 -0.711 1.00 3.64 H new ATOM 702 N MET A 47 72.298 -9.410 -2.076 1.00 1.46 N ATOM 703 CA MET A 47 72.239 -9.743 -3.530 1.00 1.73 C ATOM 704 C MET A 47 72.939 -8.652 -4.352 1.00 1.75 C ATOM 705 O MET A 47 73.386 -8.884 -5.457 1.00 2.01 O ATOM 706 CB MET A 47 70.740 -9.830 -3.862 1.00 1.70 C ATOM 707 CG MET A 47 70.206 -8.470 -4.325 1.00 1.96 C ATOM 708 SD MET A 47 70.210 -8.410 -6.135 1.00 1.94 S ATOM 709 CE MET A 47 68.919 -7.157 -6.328 1.00 1.52 C ATOM 0 H MET A 47 71.451 -8.996 -1.688 1.00 1.46 H new ATOM 0 HA MET A 47 72.749 -10.677 -3.767 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.578 -10.574 -4.642 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.187 -10.163 -2.984 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.195 -8.315 -3.947 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.824 -7.667 -3.922 1.00 1.96 H new ATOM 0 HE1 MET A 47 67.970 -7.644 -6.552 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.825 -6.586 -5.404 1.00 1.52 H new ATOM 0 HE3 MET A 47 69.184 -6.485 -7.144 1.00 1.52 H new ATOM 719 N LEU A 48 73.037 -7.465 -3.818 1.00 1.60 N ATOM 720 CA LEU A 48 73.707 -6.364 -4.567 1.00 1.69 C ATOM 721 C LEU A 48 75.222 -6.426 -4.354 1.00 1.68 C ATOM 722 O LEU A 48 75.963 -6.842 -5.222 1.00 1.99 O ATOM 723 CB LEU A 48 73.134 -5.076 -3.974 1.00 1.73 C ATOM 724 CG LEU A 48 71.644 -4.980 -4.307 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.067 -3.697 -3.706 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.461 -4.955 -5.826 1.00 2.15 C ATOM 0 H LEU A 48 72.682 -7.210 -2.896 1.00 1.60 H new ATOM 0 HA LEU A 48 73.534 -6.430 -5.641 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.278 -5.065 -2.894 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.664 -4.212 -4.375 1.00 1.73 H new ATOM 0 HG LEU A 48 71.124 -5.843 -3.891 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.005 -3.629 -3.944 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.196 -3.712 -2.624 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.588 -2.834 -4.122 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.399 -4.887 -6.064 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.982 -4.092 -6.241 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.871 -5.868 -6.257 1.00 2.15 H new ATOM 738 N GLY A 49 75.686 -6.017 -3.205 1.00 1.63 N ATOM 739 CA GLY A 49 77.152 -6.054 -2.938 1.00 1.87 C ATOM 740 C GLY A 49 77.422 -5.615 -1.498 1.00 1.54 C ATOM 741 O GLY A 49 78.405 -4.961 -1.213 1.00 1.53 O ATOM 0 H GLY A 49 75.114 -5.659 -2.440 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.536 -7.061 -3.100 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.675 -5.398 -3.633 1.00 1.87 H new ATOM 745 N GLN A 50 76.556 -5.969 -0.588 1.00 1.37 N ATOM 746 CA GLN A 50 76.763 -5.572 0.834 1.00 1.17 C ATOM 747 C GLN A 50 76.638 -6.794 1.747 1.00 1.24 C ATOM 748 O GLN A 50 75.905 -7.720 1.463 1.00 1.75 O ATOM 749 CB GLN A 50 75.652 -4.563 1.130 1.00 1.29 C ATOM 750 CG GLN A 50 75.848 -3.320 0.261 1.00 1.28 C ATOM 751 CD GLN A 50 74.632 -3.136 -0.648 1.00 1.41 C ATOM 752 OE1 GLN A 50 73.699 -3.913 -0.601 1.00 1.89 O ATOM 753 NE2 GLN A 50 74.602 -2.132 -1.482 1.00 1.85 N ATOM 0 H GLN A 50 75.714 -6.516 -0.768 1.00 1.37 H new ATOM 0 HA GLN A 50 77.753 -5.149 1.005 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.678 -5.009 0.930 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.667 -4.289 2.185 1.00 1.29 H new ATOM 0 HG2 GLN A 50 75.981 -2.440 0.891 1.00 1.28 H new ATOM 0 HG3 GLN A 50 76.752 -3.422 -0.339 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.385 -1.479 -1.522 1.00 1.85 H new ATOM 0 HE22 GLN A 50 73.796 -2.001 -2.093 1.00 1.85 H new ATOM 762 N ASN A 51 77.348 -6.803 2.842 1.00 1.18 N ATOM 763 CA ASN A 51 77.267 -7.966 3.771 1.00 1.29 C ATOM 764 C ASN A 51 77.111 -7.478 5.214 1.00 1.07 C ATOM 765 O ASN A 51 77.925 -7.778 6.064 1.00 1.45 O ATOM 766 CB ASN A 51 78.594 -8.705 3.595 1.00 1.96 C ATOM 767 CG ASN A 51 78.363 -10.210 3.735 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.634 -10.966 2.823 1.00 3.07 O ATOM 769 ND2 ASN A 51 77.869 -10.682 4.847 1.00 3.29 N ATOM 0 H ASN A 51 77.980 -6.057 3.133 1.00 1.18 H new ATOM 0 HA ASN A 51 76.412 -8.608 3.558 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.020 -8.481 2.617 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.313 -8.366 4.341 1.00 1.96 H new ATOM 0 HD21 ASN A 51 77.711 -11.684 4.950 1.00 3.29 H new ATOM 0 HD22 ASN A 51 77.641 -10.048 5.613 1.00 3.29 H new ATOM 776 N PRO A 52 76.059 -6.739 5.438 1.00 1.47 N ATOM 777 CA PRO A 52 75.781 -6.198 6.791 1.00 2.11 C ATOM 778 C PRO A 52 75.341 -7.320 7.736 1.00 1.79 C ATOM 779 O PRO A 52 74.678 -8.256 7.337 1.00 2.07 O ATOM 780 CB PRO A 52 74.642 -5.208 6.552 1.00 2.97 C ATOM 781 CG PRO A 52 73.975 -5.684 5.301 1.00 2.97 C ATOM 782 CD PRO A 52 75.040 -6.340 4.462 1.00 2.03 C ATOM 0 HA PRO A 52 76.652 -5.735 7.256 1.00 2.11 H new ATOM 0 HB2 PRO A 52 73.946 -5.196 7.391 1.00 2.97 H new ATOM 0 HB3 PRO A 52 75.019 -4.192 6.437 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.177 -6.389 5.533 1.00 2.97 H new ATOM 0 HG3 PRO A 52 73.519 -4.851 4.765 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.648 -7.200 3.919 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.445 -5.652 3.720 1.00 2.03 H new ATOM 790 N THR A 53 75.708 -7.233 8.985 1.00 1.42 N ATOM 791 CA THR A 53 75.311 -8.296 9.954 1.00 1.16 C ATOM 792 C THR A 53 73.866 -8.081 10.411 1.00 0.98 C ATOM 793 O THR A 53 73.232 -7.116 10.036 1.00 0.92 O ATOM 794 CB THR A 53 76.275 -8.146 11.134 1.00 1.19 C ATOM 795 OG1 THR A 53 77.001 -6.930 11.004 1.00 1.40 O ATOM 796 CG2 THR A 53 77.250 -9.324 11.152 1.00 1.36 C ATOM 0 H THR A 53 76.265 -6.474 9.377 1.00 1.42 H new ATOM 0 HA THR A 53 75.362 -9.292 9.514 1.00 1.16 H new ATOM 0 HB THR A 53 75.708 -8.131 12.065 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.616 -6.834 11.761 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.936 -9.216 11.992 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.693 -10.255 11.255 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.817 -9.341 10.221 1.00 1.36 H new ATOM 804 N PRO A 54 73.395 -8.996 11.214 1.00 0.99 N ATOM 805 CA PRO A 54 72.009 -8.916 11.736 1.00 1.04 C ATOM 806 C PRO A 54 71.897 -7.800 12.779 1.00 0.93 C ATOM 807 O PRO A 54 70.896 -7.115 12.865 1.00 0.94 O ATOM 808 CB PRO A 54 71.788 -10.283 12.376 1.00 1.19 C ATOM 809 CG PRO A 54 73.158 -10.775 12.719 1.00 1.18 C ATOM 810 CD PRO A 54 74.103 -10.183 11.705 1.00 1.10 C ATOM 0 HA PRO A 54 71.272 -8.688 10.966 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.162 -10.206 13.265 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.284 -10.964 11.689 1.00 1.19 H new ATOM 0 HG2 PRO A 54 73.436 -10.472 13.729 1.00 1.18 H new ATOM 0 HG3 PRO A 54 73.195 -11.864 12.692 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.059 -9.919 12.156 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.314 -10.885 10.898 1.00 1.10 H new ATOM 818 N GLU A 55 72.917 -7.612 13.570 1.00 0.98 N ATOM 819 CA GLU A 55 72.870 -6.542 14.606 1.00 1.08 C ATOM 820 C GLU A 55 73.005 -5.166 13.950 1.00 0.97 C ATOM 821 O GLU A 55 72.388 -4.205 14.366 1.00 1.01 O ATOM 822 CB GLU A 55 74.067 -6.821 15.517 1.00 1.28 C ATOM 823 CG GLU A 55 75.362 -6.471 14.780 1.00 2.15 C ATOM 824 CD GLU A 55 76.564 -6.884 15.633 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.509 -6.684 16.835 1.00 3.14 O ATOM 826 OE2 GLU A 55 77.518 -7.394 15.068 1.00 2.81 O ATOM 0 H GLU A 55 73.781 -8.153 13.544 1.00 0.98 H new ATOM 0 HA GLU A 55 71.929 -6.541 15.157 1.00 1.08 H new ATOM 0 HB2 GLU A 55 73.986 -6.233 16.431 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.076 -7.870 15.812 1.00 1.28 H new ATOM 0 HG2 GLU A 55 75.394 -6.981 13.817 1.00 2.15 H new ATOM 0 HG3 GLU A 55 75.398 -5.401 14.575 1.00 2.15 H new ATOM 833 N GLU A 56 73.808 -5.064 12.926 1.00 0.92 N ATOM 834 CA GLU A 56 73.984 -3.751 12.244 1.00 0.94 C ATOM 835 C GLU A 56 72.808 -3.477 11.302 1.00 0.84 C ATOM 836 O GLU A 56 72.560 -2.353 10.915 1.00 0.94 O ATOM 837 CB GLU A 56 75.286 -3.888 11.452 1.00 1.06 C ATOM 838 CG GLU A 56 76.467 -3.489 12.339 1.00 1.60 C ATOM 839 CD GLU A 56 76.905 -2.065 11.994 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.296 -1.845 10.859 1.00 2.08 O ATOM 841 OE2 GLU A 56 76.843 -1.218 12.870 1.00 2.50 O ATOM 0 H GLU A 56 74.350 -5.833 12.532 1.00 0.92 H new ATOM 0 HA GLU A 56 74.021 -2.922 12.951 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.408 -4.915 11.106 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.253 -3.255 10.565 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.183 -3.549 13.390 1.00 1.60 H new ATOM 0 HG3 GLU A 56 77.296 -4.181 12.193 1.00 1.60 H new ATOM 848 N LEU A 57 72.084 -4.496 10.928 1.00 0.73 N ATOM 849 CA LEU A 57 70.926 -4.290 10.010 1.00 0.78 C ATOM 850 C LEU A 57 69.890 -3.370 10.662 1.00 0.80 C ATOM 851 O LEU A 57 69.516 -2.354 10.112 1.00 0.89 O ATOM 852 CB LEU A 57 70.341 -5.686 9.789 1.00 0.85 C ATOM 853 CG LEU A 57 70.496 -6.078 8.318 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.702 -7.589 8.212 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.231 -5.684 7.550 1.00 1.10 C ATOM 0 H LEU A 57 72.243 -5.461 11.217 1.00 0.73 H new ATOM 0 HA LEU A 57 71.222 -3.820 9.072 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.850 -6.410 10.425 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.288 -5.699 10.071 1.00 0.85 H new ATOM 0 HG LEU A 57 71.357 -5.562 7.894 1.00 0.84 H new ATOM 0 HD11 LEU A 57 70.812 -7.869 7.164 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.600 -7.873 8.760 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.840 -8.104 8.636 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.340 -5.963 6.502 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.371 -6.201 7.975 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.080 -4.607 7.625 1.00 1.10 H new ATOM 867 N GLN A 58 69.425 -3.718 11.830 1.00 0.81 N ATOM 868 CA GLN A 58 68.413 -2.861 12.514 1.00 0.95 C ATOM 869 C GLN A 58 68.966 -1.448 12.718 1.00 0.99 C ATOM 870 O GLN A 58 68.291 -0.467 12.480 1.00 1.13 O ATOM 871 CB GLN A 58 68.165 -3.539 13.863 1.00 1.09 C ATOM 872 CG GLN A 58 67.066 -2.789 14.618 1.00 1.25 C ATOM 873 CD GLN A 58 65.804 -2.728 13.756 1.00 1.41 C ATOM 874 OE1 GLN A 58 64.925 -3.556 13.885 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.674 -1.773 12.875 1.00 1.74 N ATOM 0 H GLN A 58 69.701 -4.557 12.341 1.00 0.81 H new ATOM 0 HA GLN A 58 67.496 -2.762 11.933 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.872 -4.578 13.711 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.083 -3.549 14.451 1.00 1.09 H new ATOM 0 HG2 GLN A 58 66.851 -3.291 15.561 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.401 -1.781 14.862 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.411 -1.077 12.765 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.835 -1.723 12.297 1.00 1.74 H new ATOM 884 N GLU A 59 70.191 -1.338 13.156 1.00 0.97 N ATOM 885 CA GLU A 59 70.786 0.012 13.375 1.00 1.14 C ATOM 886 C GLU A 59 70.932 0.749 12.041 1.00 1.11 C ATOM 887 O GLU A 59 70.491 1.872 11.890 1.00 1.18 O ATOM 888 CB GLU A 59 72.159 -0.258 13.992 1.00 1.23 C ATOM 889 CG GLU A 59 72.922 1.060 14.139 1.00 1.60 C ATOM 890 CD GLU A 59 74.149 0.843 15.027 1.00 2.19 C ATOM 891 OE1 GLU A 59 73.973 0.727 16.229 1.00 2.75 O ATOM 892 OE2 GLU A 59 75.244 0.797 14.491 1.00 2.77 O ATOM 0 H GLU A 59 70.805 -2.123 13.371 1.00 0.97 H new ATOM 0 HA GLU A 59 70.166 0.638 14.016 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.044 -0.734 14.966 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.722 -0.948 13.364 1.00 1.23 H new ATOM 0 HG2 GLU A 59 73.229 1.426 13.159 1.00 1.60 H new ATOM 0 HG3 GLU A 59 72.274 1.821 14.575 1.00 1.60 H new ATOM 899 N MET A 60 71.549 0.129 11.072 1.00 1.11 N ATOM 900 CA MET A 60 71.724 0.798 9.749 1.00 1.18 C ATOM 901 C MET A 60 70.431 1.508 9.335 1.00 1.13 C ATOM 902 O MET A 60 70.426 2.689 9.052 1.00 1.25 O ATOM 903 CB MET A 60 72.050 -0.334 8.775 1.00 1.22 C ATOM 904 CG MET A 60 71.934 0.179 7.339 1.00 1.62 C ATOM 905 SD MET A 60 73.065 -0.749 6.274 1.00 1.82 S ATOM 906 CE MET A 60 74.537 0.262 6.569 1.00 2.02 C ATOM 0 H MET A 60 71.939 -0.811 11.138 1.00 1.11 H new ATOM 0 HA MET A 60 72.506 1.557 9.771 1.00 1.18 H new ATOM 0 HB2 MET A 60 73.057 -0.707 8.959 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.367 -1.169 8.930 1.00 1.22 H new ATOM 0 HG2 MET A 60 70.910 0.068 6.984 1.00 1.62 H new ATOM 0 HG3 MET A 60 72.171 1.242 7.301 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.374 -0.139 5.997 1.00 2.02 H new ATOM 0 HE2 MET A 60 74.342 1.288 6.257 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.782 0.247 7.631 1.00 2.02 H new ATOM 916 N ILE A 61 69.337 0.798 9.297 1.00 1.04 N ATOM 917 CA ILE A 61 68.049 1.435 8.899 1.00 1.11 C ATOM 918 C ILE A 61 67.605 2.445 9.962 1.00 1.23 C ATOM 919 O ILE A 61 67.301 3.583 9.660 1.00 1.40 O ATOM 920 CB ILE A 61 67.052 0.276 8.798 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.232 -0.428 7.451 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.620 0.808 8.902 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.717 -1.859 7.684 1.00 1.14 C ATOM 0 H ILE A 61 69.279 -0.195 9.524 1.00 1.04 H new ATOM 0 HA ILE A 61 68.129 1.985 7.961 1.00 1.11 H new ATOM 0 HB ILE A 61 67.234 -0.426 9.612 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.289 -0.437 6.904 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.951 0.116 6.838 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.917 -0.022 8.829 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.488 1.313 9.859 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.434 1.513 8.092 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.845 -2.360 6.725 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.670 -1.839 8.213 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.982 -2.400 8.281 1.00 1.14 H new ATOM 935 N ASP A 62 67.564 2.037 11.202 1.00 1.23 N ATOM 936 CA ASP A 62 67.135 2.969 12.287 1.00 1.43 C ATOM 937 C ASP A 62 67.726 4.365 12.065 1.00 1.48 C ATOM 938 O ASP A 62 67.168 5.358 12.488 1.00 1.67 O ATOM 939 CB ASP A 62 67.684 2.354 13.575 1.00 1.51 C ATOM 940 CG ASP A 62 67.303 3.236 14.765 1.00 1.54 C ATOM 941 OD1 ASP A 62 67.604 4.417 14.722 1.00 2.13 O ATOM 942 OD2 ASP A 62 66.720 2.714 15.700 1.00 1.79 O ATOM 0 H ASP A 62 67.809 1.097 11.512 1.00 1.23 H new ATOM 0 HA ASP A 62 66.052 3.090 12.318 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.283 1.349 13.710 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.768 2.259 13.512 1.00 1.51 H new ATOM 947 N GLU A 63 68.849 4.450 11.406 1.00 1.41 N ATOM 948 CA GLU A 63 69.469 5.785 11.164 1.00 1.52 C ATOM 949 C GLU A 63 68.926 6.397 9.869 1.00 1.47 C ATOM 950 O GLU A 63 68.538 7.548 9.831 1.00 1.80 O ATOM 951 CB GLU A 63 70.968 5.513 11.042 1.00 1.55 C ATOM 952 CG GLU A 63 71.532 5.141 12.414 1.00 2.11 C ATOM 953 CD GLU A 63 72.994 5.581 12.503 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.314 6.621 11.950 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.769 4.871 13.120 1.00 2.93 O ATOM 0 H GLU A 63 69.363 3.656 11.025 1.00 1.41 H new ATOM 0 HA GLU A 63 69.248 6.491 11.964 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.145 4.705 10.333 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.478 6.395 10.654 1.00 1.55 H new ATOM 0 HG2 GLU A 63 70.949 5.620 13.200 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.455 4.065 12.571 1.00 2.11 H new ATOM 962 N VAL A 64 68.899 5.637 8.809 1.00 1.33 N ATOM 963 CA VAL A 64 68.384 6.180 7.518 1.00 1.29 C ATOM 964 C VAL A 64 66.856 6.104 7.482 1.00 1.21 C ATOM 965 O VAL A 64 66.224 6.571 6.554 1.00 1.50 O ATOM 966 CB VAL A 64 68.992 5.281 6.440 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.484 5.088 6.720 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.292 3.920 6.458 1.00 1.31 C ATOM 0 H VAL A 64 69.210 4.666 8.780 1.00 1.33 H new ATOM 0 HA VAL A 64 68.652 7.227 7.375 1.00 1.29 H new ATOM 0 HB VAL A 64 68.861 5.746 5.463 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.918 4.447 5.952 1.00 1.69 H new ATOM 0 HG12 VAL A 64 70.984 6.056 6.710 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.614 4.622 7.697 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.724 3.278 5.690 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.424 3.456 7.435 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.228 4.055 6.261 1.00 1.31 H new ATOM 978 N ASP A 65 66.255 5.522 8.483 1.00 1.27 N ATOM 979 CA ASP A 65 64.767 5.420 8.502 1.00 1.38 C ATOM 980 C ASP A 65 64.147 6.804 8.711 1.00 2.07 C ATOM 981 O ASP A 65 64.462 7.499 9.656 1.00 2.61 O ATOM 982 CB ASP A 65 64.443 4.505 9.683 1.00 1.38 C ATOM 983 CG ASP A 65 63.689 3.269 9.188 1.00 1.66 C ATOM 984 OD1 ASP A 65 63.371 3.222 8.012 1.00 1.47 O ATOM 985 OD2 ASP A 65 63.443 2.388 9.996 1.00 2.59 O ATOM 0 H ASP A 65 66.729 5.113 9.288 1.00 1.27 H new ATOM 0 HA ASP A 65 64.369 5.029 7.565 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.363 4.205 10.185 1.00 1.38 H new ATOM 0 HB3 ASP A 65 63.840 5.041 10.416 1.00 1.38 H new ATOM 990 N GLU A 66 63.267 7.209 7.838 1.00 2.65 N ATOM 991 CA GLU A 66 62.628 8.547 7.991 1.00 3.74 C ATOM 992 C GLU A 66 61.472 8.467 8.993 1.00 4.00 C ATOM 993 O GLU A 66 60.851 9.458 9.319 1.00 4.93 O ATOM 994 CB GLU A 66 62.105 8.897 6.598 1.00 4.58 C ATOM 995 CG GLU A 66 60.962 7.950 6.229 1.00 5.25 C ATOM 996 CD GLU A 66 60.817 7.894 4.708 1.00 6.17 C ATOM 997 OE1 GLU A 66 61.306 8.799 4.052 1.00 6.67 O ATOM 998 OE2 GLU A 66 60.219 6.946 4.224 1.00 6.61 O ATOM 0 H GLU A 66 62.963 6.672 7.026 1.00 2.65 H new ATOM 0 HA GLU A 66 63.324 9.298 8.366 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.757 9.930 6.578 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.908 8.817 5.866 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.160 6.953 6.623 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.031 8.293 6.681 1.00 5.25 H new ATOM 1005 N ASP A 67 61.180 7.293 9.485 1.00 3.32 N ATOM 1006 CA ASP A 67 60.067 7.150 10.465 1.00 3.69 C ATOM 1007 C ASP A 67 60.386 6.041 11.471 1.00 3.25 C ATOM 1008 O ASP A 67 59.524 5.571 12.187 1.00 3.49 O ATOM 1009 CB ASP A 67 58.845 6.774 9.624 1.00 3.68 C ATOM 1010 CG ASP A 67 59.211 5.635 8.671 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.222 4.994 8.904 1.00 2.33 O ATOM 1012 OD2 ASP A 67 58.471 5.422 7.725 1.00 3.83 O ATOM 0 H ASP A 67 61.665 6.427 9.250 1.00 3.32 H new ATOM 0 HA ASP A 67 59.903 8.062 11.039 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.024 6.470 10.273 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.500 7.639 9.058 1.00 3.68 H new ATOM 1017 N GLY A 68 61.619 5.619 11.531 1.00 2.98 N ATOM 1018 CA GLY A 68 61.991 4.541 12.490 1.00 3.17 C ATOM 1019 C GLY A 68 60.979 3.399 12.391 1.00 2.42 C ATOM 1020 O GLY A 68 60.085 3.276 13.204 1.00 3.05 O ATOM 0 H GLY A 68 62.384 5.974 10.958 1.00 2.98 H new ATOM 0 HA2 GLY A 68 62.993 4.173 12.269 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.013 4.935 13.506 1.00 3.17 H new ATOM 1024 N SER A 69 61.111 2.563 11.398 1.00 1.46 N ATOM 1025 CA SER A 69 60.154 1.429 11.244 1.00 1.52 C ATOM 1026 C SER A 69 60.882 0.191 10.714 1.00 1.64 C ATOM 1027 O SER A 69 60.268 -0.787 10.334 1.00 2.49 O ATOM 1028 CB SER A 69 59.120 1.918 10.232 1.00 2.44 C ATOM 1029 OG SER A 69 59.767 2.711 9.246 1.00 2.71 O ATOM 0 H SER A 69 61.840 2.615 10.686 1.00 1.46 H new ATOM 0 HA SER A 69 59.694 1.145 12.191 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.623 1.069 9.763 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.349 2.501 10.735 1.00 2.44 H new ATOM 0 HG SER A 69 60.012 3.578 9.632 1.00 2.71 H new ATOM 1035 N GLY A 70 62.187 0.223 10.686 1.00 1.28 N ATOM 1036 CA GLY A 70 62.952 -0.952 10.181 1.00 1.43 C ATOM 1037 C GLY A 70 62.428 -1.351 8.800 1.00 1.29 C ATOM 1038 O GLY A 70 62.349 -2.518 8.470 1.00 1.59 O ATOM 0 H GLY A 70 62.756 1.013 10.991 1.00 1.28 H new ATOM 0 HA2 GLY A 70 64.013 -0.710 10.122 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.854 -1.788 10.874 1.00 1.43 H new ATOM 1042 N THR A 71 62.072 -0.393 7.989 1.00 0.89 N ATOM 1043 CA THR A 71 61.555 -0.721 6.629 1.00 0.79 C ATOM 1044 C THR A 71 62.114 0.263 5.597 1.00 0.76 C ATOM 1045 O THR A 71 62.259 1.440 5.863 1.00 0.83 O ATOM 1046 CB THR A 71 60.037 -0.581 6.736 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.716 0.695 7.270 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.483 -1.673 7.652 1.00 1.08 C ATOM 0 H THR A 71 62.116 0.602 8.208 1.00 0.89 H new ATOM 0 HA THR A 71 61.850 -1.720 6.307 1.00 0.79 H new ATOM 0 HB THR A 71 59.594 -0.683 5.745 1.00 0.84 H new ATOM 0 HG1 THR A 71 58.743 0.786 7.337 1.00 1.45 H new ATOM 0 HG21 THR A 71 58.400 -1.571 7.727 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.728 -2.652 7.240 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.926 -1.576 8.643 1.00 1.08 H new ATOM 1056 N VAL A 72 62.427 -0.208 4.421 1.00 0.73 N ATOM 1057 CA VAL A 72 62.975 0.701 3.373 1.00 0.77 C ATOM 1058 C VAL A 72 62.148 0.583 2.090 1.00 0.80 C ATOM 1059 O VAL A 72 61.918 -0.498 1.584 1.00 1.00 O ATOM 1060 CB VAL A 72 64.408 0.219 3.142 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.925 0.757 1.806 1.00 1.13 C ATOM 1062 CG2 VAL A 72 65.302 0.728 4.275 1.00 1.13 C ATOM 0 H VAL A 72 62.327 -1.183 4.140 1.00 0.73 H new ATOM 0 HA VAL A 72 62.944 1.749 3.673 1.00 0.77 H new ATOM 0 HB VAL A 72 64.424 -0.871 3.122 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.946 0.411 1.645 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.288 0.397 0.998 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.909 1.847 1.822 1.00 1.13 H new ATOM 0 HG21 VAL A 72 66.324 0.386 4.113 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.282 1.818 4.292 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.937 0.343 5.227 1.00 1.13 H new ATOM 1072 N ASP A 73 61.699 1.688 1.560 1.00 0.77 N ATOM 1073 CA ASP A 73 60.888 1.640 0.310 1.00 0.83 C ATOM 1074 C ASP A 73 61.718 2.125 -0.881 1.00 0.87 C ATOM 1075 O ASP A 73 62.931 2.175 -0.826 1.00 0.87 O ATOM 1076 CB ASP A 73 59.713 2.584 0.564 1.00 0.85 C ATOM 1077 CG ASP A 73 58.990 2.166 1.847 1.00 1.80 C ATOM 1078 OD1 ASP A 73 59.419 2.588 2.908 1.00 2.47 O ATOM 1079 OD2 ASP A 73 58.021 1.432 1.745 1.00 2.57 O ATOM 0 H ASP A 73 61.859 2.622 1.938 1.00 0.77 H new ATOM 0 HA ASP A 73 60.556 0.629 0.073 1.00 0.83 H new ATOM 0 HB2 ASP A 73 60.070 3.610 0.653 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.023 2.558 -0.280 1.00 0.85 H new ATOM 1084 N PHE A 74 61.074 2.481 -1.958 1.00 0.94 N ATOM 1085 CA PHE A 74 61.826 2.962 -3.153 1.00 0.98 C ATOM 1086 C PHE A 74 62.681 4.178 -2.788 1.00 0.86 C ATOM 1087 O PHE A 74 63.603 4.535 -3.494 1.00 0.83 O ATOM 1088 CB PHE A 74 60.750 3.349 -4.167 1.00 1.12 C ATOM 1089 CG PHE A 74 61.400 3.975 -5.377 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.658 3.532 -5.805 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.746 4.999 -6.072 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.260 4.114 -6.926 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.348 5.581 -7.194 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.606 5.137 -7.622 1.00 3.18 C ATOM 0 H PHE A 74 60.060 2.460 -2.063 1.00 0.94 H new ATOM 0 HA PHE A 74 62.504 2.205 -3.546 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.180 2.468 -4.462 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.046 4.048 -3.717 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.163 2.741 -5.270 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.776 5.340 -5.742 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.231 3.773 -7.255 1.00 2.84 H new ATOM 0 HE2 PHE A 74 60.843 6.372 -7.729 1.00 3.01 H new ATOM 0 HZ PHE A 74 63.071 5.584 -8.488 1.00 3.18 H new ATOM 1104 N ASP A 75 62.382 4.818 -1.691 1.00 0.83 N ATOM 1105 CA ASP A 75 63.178 6.012 -1.284 1.00 0.76 C ATOM 1106 C ASP A 75 64.301 5.601 -0.328 1.00 0.69 C ATOM 1107 O ASP A 75 65.467 5.659 -0.663 1.00 0.65 O ATOM 1108 CB ASP A 75 62.181 6.928 -0.575 1.00 0.81 C ATOM 1109 CG ASP A 75 62.830 8.290 -0.324 1.00 0.99 C ATOM 1110 OD1 ASP A 75 63.988 8.310 0.061 1.00 1.57 O ATOM 1111 OD2 ASP A 75 62.159 9.290 -0.520 1.00 1.49 O ATOM 0 H ASP A 75 61.622 4.567 -1.059 1.00 0.83 H new ATOM 0 HA ASP A 75 63.650 6.502 -2.135 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.284 7.047 -1.183 1.00 0.81 H new ATOM 0 HB3 ASP A 75 61.869 6.482 0.369 1.00 0.81 H new ATOM 1116 N GLU A 76 63.958 5.187 0.861 1.00 0.77 N ATOM 1117 CA GLU A 76 65.006 4.774 1.836 1.00 0.78 C ATOM 1118 C GLU A 76 66.017 3.846 1.158 1.00 0.70 C ATOM 1119 O GLU A 76 67.176 3.804 1.520 1.00 0.70 O ATOM 1120 CB GLU A 76 64.251 4.035 2.940 1.00 0.95 C ATOM 1121 CG GLU A 76 63.113 4.916 3.458 1.00 1.51 C ATOM 1122 CD GLU A 76 62.744 4.491 4.880 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.362 3.565 5.381 1.00 1.72 O ATOM 1124 OE2 GLU A 76 61.850 5.098 5.446 1.00 1.94 O ATOM 0 H GLU A 76 62.998 5.117 1.199 1.00 0.77 H new ATOM 0 HA GLU A 76 65.567 5.623 2.228 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.852 3.096 2.557 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.930 3.784 3.755 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.416 5.963 3.447 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.245 4.829 2.804 1.00 1.51 H new ATOM 1131 N PHE A 77 65.589 3.104 0.172 1.00 0.72 N ATOM 1132 CA PHE A 77 66.530 2.186 -0.528 1.00 0.73 C ATOM 1133 C PHE A 77 67.620 2.996 -1.235 1.00 0.67 C ATOM 1134 O PHE A 77 68.777 2.948 -0.869 1.00 0.69 O ATOM 1135 CB PHE A 77 65.671 1.434 -1.546 1.00 0.84 C ATOM 1136 CG PHE A 77 66.417 0.213 -2.029 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.742 -0.809 -1.129 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.785 0.102 -3.374 1.00 1.32 C ATOM 1139 CE1 PHE A 77 67.435 -1.940 -1.574 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.478 -1.030 -3.820 1.00 1.48 C ATOM 1141 CZ PHE A 77 67.804 -2.051 -2.920 1.00 1.46 C ATOM 0 H PHE A 77 64.631 3.095 -0.177 1.00 0.72 H new ATOM 0 HA PHE A 77 67.032 1.504 0.158 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.725 1.139 -1.092 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.432 2.084 -2.388 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.458 -0.724 -0.091 1.00 1.83 H new ATOM 0 HD2 PHE A 77 66.534 0.890 -4.069 1.00 1.32 H new ATOM 0 HE1 PHE A 77 67.685 -2.728 -0.879 1.00 2.03 H new ATOM 0 HE2 PHE A 77 67.761 -1.115 -4.859 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.340 -2.924 -3.263 1.00 1.46 H new ATOM 1151 N LEU A 78 67.259 3.748 -2.239 1.00 0.66 N ATOM 1152 CA LEU A 78 68.277 4.565 -2.958 1.00 0.68 C ATOM 1153 C LEU A 78 69.098 5.370 -1.950 1.00 0.62 C ATOM 1154 O LEU A 78 70.250 5.683 -2.181 1.00 0.64 O ATOM 1155 CB LEU A 78 67.476 5.496 -3.872 1.00 0.77 C ATOM 1156 CG LEU A 78 66.566 4.668 -4.783 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.028 5.554 -5.909 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.363 3.509 -5.387 1.00 1.41 C ATOM 0 H LEU A 78 66.306 3.832 -2.592 1.00 0.66 H new ATOM 0 HA LEU A 78 68.976 3.952 -3.527 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.879 6.184 -3.273 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.154 6.103 -4.473 1.00 0.77 H new ATOM 0 HG LEU A 78 65.734 4.273 -4.200 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.380 4.965 -6.558 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.459 6.380 -5.482 1.00 1.55 H new ATOM 0 HD13 LEU A 78 66.861 5.949 -6.490 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.714 2.920 -6.035 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.196 3.904 -5.969 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.748 2.876 -4.587 1.00 1.41 H new ATOM 1170 N VAL A 79 68.517 5.697 -0.829 1.00 0.59 N ATOM 1171 CA VAL A 79 69.269 6.469 0.199 1.00 0.61 C ATOM 1172 C VAL A 79 70.082 5.507 1.067 1.00 0.63 C ATOM 1173 O VAL A 79 70.988 5.905 1.773 1.00 0.68 O ATOM 1174 CB VAL A 79 68.197 7.176 1.031 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.868 8.074 2.071 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.321 8.029 0.112 1.00 0.70 C ATOM 0 H VAL A 79 67.556 5.463 -0.581 1.00 0.59 H new ATOM 0 HA VAL A 79 69.969 7.181 -0.238 1.00 0.61 H new ATOM 0 HB VAL A 79 67.580 6.433 1.536 1.00 0.63 H new ATOM 0 HG11 VAL A 79 68.104 8.578 2.664 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.494 7.468 2.726 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.484 8.818 1.566 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.557 8.533 0.703 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.939 8.772 -0.393 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.843 7.390 -0.630 1.00 0.70 H new ATOM 1186 N MET A 80 69.767 4.240 1.012 1.00 0.65 N ATOM 1187 CA MET A 80 70.523 3.247 1.825 1.00 0.72 C ATOM 1188 C MET A 80 71.890 2.989 1.189 1.00 0.71 C ATOM 1189 O MET A 80 72.786 2.454 1.813 1.00 0.76 O ATOM 1190 CB MET A 80 69.667 1.979 1.804 1.00 0.80 C ATOM 1191 CG MET A 80 70.498 0.791 2.291 1.00 1.12 C ATOM 1192 SD MET A 80 69.564 -0.739 2.043 1.00 2.17 S ATOM 1193 CE MET A 80 68.996 -0.939 3.750 1.00 2.77 C ATOM 0 H MET A 80 69.018 3.851 0.439 1.00 0.65 H new ATOM 0 HA MET A 80 70.704 3.592 2.843 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.792 2.109 2.440 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.302 1.791 0.794 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.442 0.746 1.747 1.00 1.12 H new ATOM 0 HG3 MET A 80 70.744 0.913 3.346 1.00 1.12 H new ATOM 0 HE1 MET A 80 67.920 -1.113 3.757 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.504 -1.789 4.205 1.00 2.77 H new ATOM 0 HE3 MET A 80 69.222 -0.036 4.317 1.00 2.77 H new ATOM 1203 N MET A 81 72.063 3.383 -0.044 1.00 0.69 N ATOM 1204 CA MET A 81 73.386 3.176 -0.707 1.00 0.74 C ATOM 1205 C MET A 81 74.177 4.484 -0.664 1.00 0.75 C ATOM 1206 O MET A 81 75.392 4.488 -0.635 1.00 0.82 O ATOM 1207 CB MET A 81 73.131 2.751 -2.173 1.00 0.73 C ATOM 1208 CG MET A 81 71.633 2.664 -2.504 1.00 0.89 C ATOM 1209 SD MET A 81 70.875 1.321 -1.551 1.00 1.41 S ATOM 1210 CE MET A 81 71.871 -0.027 -2.231 1.00 1.21 C ATOM 0 H MET A 81 71.352 3.836 -0.618 1.00 0.69 H new ATOM 0 HA MET A 81 73.959 2.403 -0.196 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.608 3.465 -2.844 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.598 1.783 -2.354 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.144 3.610 -2.271 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.496 2.488 -3.571 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.288 -0.948 -2.227 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.161 0.215 -3.254 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.765 -0.161 -1.623 1.00 1.21 H new ATOM 1220 N VAL A 82 73.493 5.596 -0.642 1.00 0.72 N ATOM 1221 CA VAL A 82 74.204 6.903 -0.584 1.00 0.78 C ATOM 1222 C VAL A 82 75.105 6.938 0.651 1.00 0.81 C ATOM 1223 O VAL A 82 76.232 7.388 0.599 1.00 0.93 O ATOM 1224 CB VAL A 82 73.094 7.951 -0.472 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.703 9.304 -0.097 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.373 8.073 -1.817 1.00 1.36 C ATOM 0 H VAL A 82 72.475 5.655 -0.662 1.00 0.72 H new ATOM 0 HA VAL A 82 74.838 7.079 -1.453 1.00 0.78 H new ATOM 0 HB VAL A 82 72.384 7.647 0.297 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.912 10.050 -0.018 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.218 9.218 0.860 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.413 9.609 -0.866 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.582 8.819 -1.739 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.084 8.377 -2.585 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.939 7.110 -2.086 1.00 1.36 H new ATOM 1236 N ARG A 83 74.616 6.454 1.760 1.00 0.79 N ATOM 1237 CA ARG A 83 75.441 6.443 3.001 1.00 0.85 C ATOM 1238 C ARG A 83 76.486 5.328 2.919 1.00 0.90 C ATOM 1239 O ARG A 83 77.547 5.411 3.504 1.00 1.00 O ATOM 1240 CB ARG A 83 74.449 6.170 4.132 1.00 0.87 C ATOM 1241 CG ARG A 83 74.371 7.390 5.051 1.00 1.07 C ATOM 1242 CD ARG A 83 73.335 7.139 6.148 1.00 0.92 C ATOM 1243 NE ARG A 83 73.709 5.823 6.737 1.00 1.62 N ATOM 1244 CZ ARG A 83 74.665 5.752 7.623 1.00 1.83 C ATOM 1245 NH1 ARG A 83 74.616 6.489 8.699 1.00 2.14 N ATOM 1246 NH2 ARG A 83 75.672 4.943 7.432 1.00 2.49 N ATOM 0 H ARG A 83 73.678 6.065 1.860 1.00 0.79 H new ATOM 0 HA ARG A 83 75.981 7.378 3.153 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.464 5.949 3.720 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.761 5.294 4.700 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.347 7.586 5.496 1.00 1.07 H new ATOM 0 HG3 ARG A 83 74.099 8.275 4.476 1.00 1.07 H new ATOM 0 HD2 ARG A 83 73.357 7.928 6.899 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.325 7.116 5.739 1.00 0.92 H new ATOM 0 HE ARG A 83 73.218 4.977 6.448 1.00 1.62 H new ATOM 0 HH11 ARG A 83 73.830 7.122 8.849 1.00 2.14 H new ATOM 0 HH12 ARG A 83 75.364 6.432 9.390 1.00 2.14 H new ATOM 0 HH21 ARG A 83 75.711 4.367 6.591 1.00 2.49 H new ATOM 0 HH22 ARG A 83 76.419 4.887 8.124 1.00 2.49 H new ATOM 1260 N SER A 84 76.191 4.283 2.193 1.00 0.92 N ATOM 1261 CA SER A 84 77.165 3.160 2.070 1.00 1.01 C ATOM 1262 C SER A 84 77.938 3.272 0.752 1.00 1.06 C ATOM 1263 O SER A 84 78.693 2.393 0.388 1.00 1.38 O ATOM 1264 CB SER A 84 76.311 1.892 2.084 1.00 1.04 C ATOM 1265 OG SER A 84 76.504 1.211 3.317 1.00 1.52 O ATOM 0 H SER A 84 75.318 4.159 1.680 1.00 0.92 H new ATOM 0 HA SER A 84 77.903 3.164 2.872 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.259 2.147 1.956 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.586 1.245 1.251 1.00 1.04 H new ATOM 0 HG SER A 84 75.957 0.398 3.331 1.00 1.52 H new ATOM 1271 N MET A 85 77.754 4.347 0.036 1.00 0.00 N ATOM 1272 CA MET A 85 78.480 4.517 -1.257 1.00 0.00 C ATOM 1273 C MET A 85 79.712 5.404 -1.059 1.00 0.00 C ATOM 1274 O MET A 85 80.807 5.062 -1.459 1.00 0.00 O ATOM 1275 CB MET A 85 77.475 5.197 -2.189 1.00 0.00 C ATOM 1276 CG MET A 85 76.739 4.136 -3.007 1.00 0.00 C ATOM 1277 SD MET A 85 76.777 4.592 -4.758 1.00 0.00 S ATOM 1278 CE MET A 85 75.516 3.423 -5.323 1.00 0.00 C ATOM 0 H MET A 85 77.133 5.115 0.289 1.00 0.00 H new ATOM 0 HA MET A 85 78.833 3.568 -1.660 1.00 0.00 H new ATOM 0 HB2 MET A 85 76.762 5.782 -1.608 1.00 0.00 H new ATOM 0 HB3 MET A 85 77.991 5.891 -2.853 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.206 3.162 -2.864 1.00 0.00 H new ATOM 0 HG3 MET A 85 75.708 4.048 -2.665 1.00 0.00 H new ATOM 0 HE1 MET A 85 75.825 2.985 -6.272 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.394 2.633 -4.582 1.00 0.00 H new ATOM 0 HE3 MET A 85 74.569 3.946 -5.456 1.00 0.00 H new