USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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= -0.637 K(o=-1.9,f=-2.9) USER MOD Set 1.2: A 84 CYS SG : rot -105:sc= -1.25! USER MOD Set 2.1: A 13 THR OG1 : rot -90:sc= 1.16 USER MOD Set 2.2: A 16 GLN : amide:sc= 0.95 K(o=2.1,f=-2.1!) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.854 USER MOD Single : A 6 LYS NZ :NH3+ 130:sc= -0.0357 (180deg=-0.426) USER MOD Single : A 11 GLN : amide:sc= 0.921 K(o=0.92,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 1.03 K(o=1,f=-0.5) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 75:sc= -2.63! USER MOD Single : A 37 SER OG : rot 180:sc= -0.905 USER MOD Single : A 38 THR OG1 : rot 160:sc= 0 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 45 MET CE :methyl -126:sc=-0.000891 (180deg=-1.32!) USER MOD Single : A 47 MET CE :methyl -147:sc= -1.66 (180deg=-3.09!) USER MOD Single : A 51 ASN : amide:sc= -1.64! C(o=-1.6!,f=-5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 60 MET CE :methyl -159:sc= -0.638 (180deg=-2.15!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 28:sc= 0.265 USER MOD Single : A 80 MET CE :methyl 165:sc= -1.05 (180deg=-1.84!) USER MOD Single : A 81 MET CE :methyl -133:sc= -3.5! (180deg=-7.93!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.147 2.473 4.166 1.00 0.90 N ATOM 45 CA ILE A 4 82.759 1.292 4.989 1.00 0.89 C ATOM 46 C ILE A 4 81.505 0.633 4.407 1.00 0.82 C ATOM 47 O ILE A 4 81.162 -0.482 4.746 1.00 0.85 O ATOM 48 CB ILE A 4 82.477 1.856 6.384 1.00 0.85 C ATOM 49 CG1 ILE A 4 81.124 2.574 6.385 1.00 1.02 C ATOM 50 CG2 ILE A 4 83.576 2.849 6.765 1.00 0.75 C ATOM 51 CD1 ILE A 4 80.070 1.676 7.034 1.00 1.74 C ATOM 0 HA ILE A 4 83.536 0.528 5.011 1.00 0.89 H new ATOM 0 HB ILE A 4 82.456 1.039 7.105 1.00 0.85 H new ATOM 0 HG12 ILE A 4 81.200 3.515 6.930 1.00 1.02 H new ATOM 0 HG13 ILE A 4 80.830 2.819 5.365 1.00 1.02 H new ATOM 0 HG21 ILE A 4 83.375 3.251 7.758 1.00 0.75 H new ATOM 0 HG22 ILE A 4 84.540 2.341 6.767 1.00 0.75 H new ATOM 0 HG23 ILE A 4 83.597 3.664 6.042 1.00 0.75 H new ATOM 0 HD11 ILE A 4 79.107 2.187 7.035 1.00 1.74 H new ATOM 0 HD12 ILE A 4 79.987 0.747 6.471 1.00 1.74 H new ATOM 0 HD13 ILE A 4 80.363 1.453 8.060 1.00 1.74 H new ATOM 63 N TYR A 5 80.819 1.317 3.535 1.00 0.78 N ATOM 64 CA TYR A 5 79.586 0.735 2.931 1.00 0.78 C ATOM 65 C TYR A 5 79.948 -0.175 1.754 1.00 0.92 C ATOM 66 O TYR A 5 79.295 -1.168 1.502 1.00 0.99 O ATOM 67 CB TYR A 5 78.777 1.940 2.449 1.00 0.78 C ATOM 68 CG TYR A 5 78.475 2.844 3.620 1.00 0.92 C ATOM 69 CD1 TYR A 5 77.546 2.447 4.589 1.00 1.31 C ATOM 70 CD2 TYR A 5 79.124 4.078 3.736 1.00 1.77 C ATOM 71 CE1 TYR A 5 77.265 3.286 5.675 1.00 1.36 C ATOM 72 CE2 TYR A 5 78.843 4.917 4.821 1.00 2.00 C ATOM 73 CZ TYR A 5 77.914 4.521 5.791 1.00 1.35 C ATOM 74 OH TYR A 5 77.637 5.348 6.860 1.00 1.60 O ATOM 0 H TYR A 5 81.058 2.255 3.213 1.00 0.78 H new ATOM 0 HA TYR A 5 79.027 0.125 3.641 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.336 2.486 1.689 1.00 0.78 H new ATOM 0 HB3 TYR A 5 77.849 1.606 1.985 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.046 1.494 4.499 1.00 1.31 H new ATOM 0 HD2 TYR A 5 79.842 4.383 2.989 1.00 1.77 H new ATOM 0 HE1 TYR A 5 76.548 2.980 6.423 1.00 1.36 H new ATOM 0 HE2 TYR A 5 79.343 5.870 4.910 1.00 2.00 H new ATOM 0 HH TYR A 5 78.174 6.165 6.789 1.00 1.60 H new ATOM 84 N LYS A 6 80.982 0.156 1.030 1.00 1.02 N ATOM 85 CA LYS A 6 81.382 -0.692 -0.130 1.00 1.19 C ATOM 86 C LYS A 6 81.397 -2.169 0.275 1.00 1.15 C ATOM 87 O LYS A 6 81.051 -3.038 -0.500 1.00 1.19 O ATOM 88 CB LYS A 6 82.789 -0.222 -0.499 1.00 1.38 C ATOM 89 CG LYS A 6 82.713 0.722 -1.700 1.00 1.86 C ATOM 90 CD LYS A 6 82.902 -0.079 -2.991 1.00 1.94 C ATOM 91 CE LYS A 6 81.591 -0.089 -3.783 1.00 2.16 C ATOM 92 NZ LYS A 6 81.437 1.303 -4.288 1.00 2.91 N ATOM 0 H LYS A 6 81.567 0.976 1.191 1.00 1.02 H new ATOM 0 HA LYS A 6 80.690 -0.600 -0.967 1.00 1.19 H new ATOM 0 HB2 LYS A 6 83.248 0.287 0.349 1.00 1.38 H new ATOM 0 HB3 LYS A 6 83.420 -1.079 -0.736 1.00 1.38 H new ATOM 0 HG2 LYS A 6 81.750 1.233 -1.714 1.00 1.86 H new ATOM 0 HG3 LYS A 6 83.481 1.491 -1.621 1.00 1.86 H new ATOM 0 HD2 LYS A 6 83.698 0.361 -3.591 1.00 1.94 H new ATOM 0 HD3 LYS A 6 83.206 -1.099 -2.757 1.00 1.94 H new ATOM 0 HE2 LYS A 6 81.631 -0.805 -4.604 1.00 2.16 H new ATOM 0 HE3 LYS A 6 80.750 -0.375 -3.151 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 81.238 1.282 -5.309 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 80.650 1.768 -3.791 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 82.315 1.833 -4.118 1.00 2.91 H new ATOM 106 N ALA A 7 81.795 -2.459 1.484 1.00 1.13 N ATOM 107 CA ALA A 7 81.832 -3.880 1.936 1.00 1.14 C ATOM 108 C ALA A 7 80.419 -4.366 2.268 1.00 1.06 C ATOM 109 O ALA A 7 80.215 -5.507 2.634 1.00 1.10 O ATOM 110 CB ALA A 7 82.707 -3.873 3.190 1.00 1.20 C ATOM 0 H ALA A 7 82.096 -1.775 2.178 1.00 1.13 H new ATOM 0 HA ALA A 7 82.224 -4.548 1.169 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.784 -4.886 3.585 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.702 -3.505 2.938 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.260 -3.223 3.942 1.00 1.20 H new ATOM 116 N ALA A 8 79.441 -3.511 2.140 1.00 0.99 N ATOM 117 CA ALA A 8 78.042 -3.926 2.446 1.00 0.95 C ATOM 118 C ALA A 8 77.442 -4.674 1.252 1.00 0.95 C ATOM 119 O ALA A 8 76.756 -5.664 1.408 1.00 1.02 O ATOM 120 CB ALA A 8 77.286 -2.621 2.695 1.00 0.91 C ATOM 0 H ALA A 8 79.550 -2.543 1.837 1.00 0.99 H new ATOM 0 HA ALA A 8 77.988 -4.597 3.303 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.244 -2.843 2.928 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.740 -2.092 3.533 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.334 -1.997 1.803 1.00 0.91 H new ATOM 126 N VAL A 9 77.697 -4.208 0.060 1.00 0.97 N ATOM 127 CA VAL A 9 77.143 -4.891 -1.143 1.00 1.07 C ATOM 128 C VAL A 9 78.023 -6.086 -1.521 1.00 1.16 C ATOM 129 O VAL A 9 77.555 -7.066 -2.066 1.00 1.18 O ATOM 130 CB VAL A 9 77.170 -3.834 -2.246 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.788 -4.478 -3.581 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.170 -2.724 -1.911 1.00 1.49 C ATOM 0 H VAL A 9 78.265 -3.383 -0.133 1.00 0.97 H new ATOM 0 HA VAL A 9 76.138 -5.277 -0.975 1.00 1.07 H new ATOM 0 HB VAL A 9 78.172 -3.412 -2.321 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.807 -3.724 -4.368 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.498 -5.269 -3.820 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.786 -4.900 -3.508 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.188 -1.969 -2.697 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.168 -3.147 -1.837 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.441 -2.265 -0.960 1.00 1.49 H new ATOM 142 N GLU A 10 79.294 -6.012 -1.235 1.00 1.28 N ATOM 143 CA GLU A 10 80.203 -7.143 -1.576 1.00 1.44 C ATOM 144 C GLU A 10 79.830 -8.384 -0.760 1.00 1.41 C ATOM 145 O GLU A 10 80.030 -9.504 -1.187 1.00 1.54 O ATOM 146 CB GLU A 10 81.602 -6.653 -1.203 1.00 1.68 C ATOM 147 CG GLU A 10 82.562 -7.845 -1.138 1.00 2.16 C ATOM 148 CD GLU A 10 83.929 -7.428 -1.682 1.00 2.64 C ATOM 149 OE1 GLU A 10 83.966 -6.549 -2.527 1.00 3.13 O ATOM 150 OE2 GLU A 10 84.917 -7.997 -1.245 1.00 3.13 O ATOM 0 H GLU A 10 79.743 -5.217 -0.780 1.00 1.28 H new ATOM 0 HA GLU A 10 80.138 -7.424 -2.627 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.953 -5.930 -1.939 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.575 -6.142 -0.241 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.658 -8.192 -0.109 1.00 2.16 H new ATOM 0 HG3 GLU A 10 82.166 -8.677 -1.720 1.00 2.16 H new ATOM 157 N GLN A 11 79.288 -8.193 0.413 1.00 1.37 N ATOM 158 CA GLN A 11 78.903 -9.362 1.255 1.00 1.43 C ATOM 159 C GLN A 11 77.704 -10.086 0.637 1.00 1.24 C ATOM 160 O GLN A 11 77.586 -11.293 0.719 1.00 1.31 O ATOM 161 CB GLN A 11 78.528 -8.765 2.613 1.00 1.58 C ATOM 162 CG GLN A 11 79.643 -9.052 3.621 1.00 1.88 C ATOM 163 CD GLN A 11 79.349 -8.314 4.929 1.00 2.09 C ATOM 164 OE1 GLN A 11 78.972 -8.922 5.911 1.00 2.64 O ATOM 165 NE2 GLN A 11 79.509 -7.021 4.985 1.00 2.48 N ATOM 0 H GLN A 11 79.096 -7.279 0.824 1.00 1.37 H new ATOM 0 HA GLN A 11 79.707 -10.094 1.339 1.00 1.43 H new ATOM 0 HB2 GLN A 11 78.375 -7.690 2.520 1.00 1.58 H new ATOM 0 HB3 GLN A 11 77.588 -9.192 2.963 1.00 1.58 H new ATOM 0 HG2 GLN A 11 79.716 -10.124 3.804 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.604 -8.732 3.218 1.00 1.88 H new ATOM 0 HE21 GLN A 11 79.826 -6.510 4.161 1.00 2.48 H new ATOM 0 HE22 GLN A 11 79.318 -6.521 5.853 1.00 2.48 H new ATOM 174 N LEU A 12 76.813 -9.359 0.021 1.00 1.24 N ATOM 175 CA LEU A 12 75.622 -10.006 -0.601 1.00 1.13 C ATOM 176 C LEU A 12 76.022 -10.710 -1.901 1.00 1.02 C ATOM 177 O LEU A 12 76.616 -10.120 -2.781 1.00 1.28 O ATOM 178 CB LEU A 12 74.654 -8.858 -0.888 1.00 1.12 C ATOM 179 CG LEU A 12 74.433 -8.044 0.389 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.287 -7.056 0.172 1.00 2.02 C ATOM 181 CD2 LEU A 12 74.082 -8.989 1.541 1.00 1.49 C ATOM 0 H LEU A 12 76.858 -8.345 -0.079 1.00 1.24 H new ATOM 0 HA LEU A 12 75.177 -10.762 0.045 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.055 -8.219 -1.675 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.704 -9.251 -1.250 1.00 1.12 H new ATOM 0 HG LEU A 12 75.343 -7.496 0.633 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.129 -6.476 1.081 1.00 2.02 H new ATOM 0 HD12 LEU A 12 73.537 -6.383 -0.648 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.376 -7.603 -0.072 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.924 -8.410 2.451 1.00 1.49 H new ATOM 0 HD22 LEU A 12 73.172 -9.537 1.297 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.899 -9.693 1.696 1.00 1.49 H new ATOM 193 N THR A 13 75.700 -11.968 -2.029 1.00 0.93 N ATOM 194 CA THR A 13 76.062 -12.707 -3.272 1.00 0.93 C ATOM 195 C THR A 13 75.026 -12.443 -4.368 1.00 0.88 C ATOM 196 O THR A 13 73.989 -11.859 -4.127 1.00 0.86 O ATOM 197 CB THR A 13 76.056 -14.184 -2.871 1.00 1.03 C ATOM 198 OG1 THR A 13 74.907 -14.453 -2.081 1.00 1.13 O ATOM 199 CG2 THR A 13 77.317 -14.500 -2.066 1.00 1.20 C ATOM 0 H THR A 13 75.202 -12.516 -1.327 1.00 0.93 H new ATOM 0 HA THR A 13 77.028 -12.396 -3.670 1.00 0.93 H new ATOM 0 HB THR A 13 76.035 -14.805 -3.767 1.00 1.03 H new ATOM 0 HG1 THR A 13 75.121 -14.317 -1.135 1.00 1.13 H new ATOM 0 HG21 THR A 13 77.312 -15.552 -1.781 1.00 1.20 H new ATOM 0 HG22 THR A 13 78.198 -14.293 -2.674 1.00 1.20 H new ATOM 0 HG23 THR A 13 77.341 -13.881 -1.169 1.00 1.20 H new ATOM 207 N GLU A 14 75.299 -12.871 -5.570 1.00 0.88 N ATOM 208 CA GLU A 14 74.330 -12.645 -6.681 1.00 0.87 C ATOM 209 C GLU A 14 72.995 -13.325 -6.364 1.00 0.82 C ATOM 210 O GLU A 14 71.955 -12.933 -6.855 1.00 0.79 O ATOM 211 CB GLU A 14 74.978 -13.285 -7.908 1.00 0.99 C ATOM 212 CG GLU A 14 75.676 -12.207 -8.739 1.00 1.98 C ATOM 213 CD GLU A 14 76.701 -12.862 -9.668 1.00 2.36 C ATOM 214 OE1 GLU A 14 76.324 -13.225 -10.769 1.00 3.17 O ATOM 215 OE2 GLU A 14 77.844 -12.990 -9.260 1.00 2.36 O ATOM 0 H GLU A 14 76.151 -13.367 -5.831 1.00 0.88 H new ATOM 0 HA GLU A 14 74.119 -11.587 -6.836 1.00 0.87 H new ATOM 0 HB2 GLU A 14 75.698 -14.043 -7.598 1.00 0.99 H new ATOM 0 HB3 GLU A 14 74.222 -13.790 -8.510 1.00 0.99 H new ATOM 0 HG2 GLU A 14 74.942 -11.652 -9.323 1.00 1.98 H new ATOM 0 HG3 GLU A 14 76.170 -11.490 -8.083 1.00 1.98 H new ATOM 222 N GLU A 15 73.018 -14.342 -5.547 1.00 0.85 N ATOM 223 CA GLU A 15 71.752 -15.049 -5.200 1.00 0.84 C ATOM 224 C GLU A 15 70.991 -14.275 -4.120 1.00 0.76 C ATOM 225 O GLU A 15 69.779 -14.328 -4.043 1.00 0.70 O ATOM 226 CB GLU A 15 72.194 -16.413 -4.670 1.00 0.92 C ATOM 227 CG GLU A 15 70.980 -17.338 -4.565 1.00 1.49 C ATOM 228 CD GLU A 15 70.504 -17.393 -3.113 1.00 1.88 C ATOM 229 OE1 GLU A 15 71.181 -18.018 -2.312 1.00 2.07 O ATOM 230 OE2 GLU A 15 69.472 -16.811 -2.825 1.00 2.62 O ATOM 0 H GLU A 15 73.858 -14.714 -5.105 1.00 0.85 H new ATOM 0 HA GLU A 15 71.083 -15.140 -6.055 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.940 -16.849 -5.335 1.00 0.92 H new ATOM 0 HB3 GLU A 15 72.664 -16.300 -3.693 1.00 0.92 H new ATOM 0 HG2 GLU A 15 70.178 -16.977 -5.208 1.00 1.49 H new ATOM 0 HG3 GLU A 15 71.241 -18.338 -4.911 1.00 1.49 H new ATOM 237 N GLN A 16 71.692 -13.558 -3.285 1.00 0.79 N ATOM 238 CA GLN A 16 71.006 -12.784 -2.210 1.00 0.74 C ATOM 239 C GLN A 16 70.537 -11.428 -2.747 1.00 0.68 C ATOM 240 O GLN A 16 69.477 -10.947 -2.400 1.00 0.67 O ATOM 241 CB GLN A 16 72.066 -12.592 -1.124 1.00 0.79 C ATOM 242 CG GLN A 16 72.164 -13.860 -0.275 1.00 0.88 C ATOM 243 CD GLN A 16 73.375 -13.761 0.653 1.00 1.70 C ATOM 244 OE1 GLN A 16 74.382 -14.404 0.429 1.00 2.53 O ATOM 245 NE2 GLN A 16 73.322 -12.975 1.694 1.00 2.20 N ATOM 0 H GLN A 16 72.708 -13.474 -3.300 1.00 0.79 H new ATOM 0 HA GLN A 16 70.122 -13.298 -1.833 1.00 0.74 H new ATOM 0 HB2 GLN A 16 73.032 -12.371 -1.579 1.00 0.79 H new ATOM 0 HB3 GLN A 16 71.807 -11.740 -0.495 1.00 0.79 H new ATOM 0 HG2 GLN A 16 71.254 -13.990 0.310 1.00 0.88 H new ATOM 0 HG3 GLN A 16 72.256 -14.735 -0.919 1.00 0.88 H new ATOM 0 HE21 GLN A 16 72.478 -12.435 1.883 1.00 2.20 H new ATOM 0 HE22 GLN A 16 74.125 -12.901 2.318 1.00 2.20 H new ATOM 254 N LYS A 17 71.317 -10.809 -3.590 1.00 0.69 N ATOM 255 CA LYS A 17 70.915 -9.485 -4.145 1.00 0.68 C ATOM 256 C LYS A 17 69.586 -9.604 -4.896 1.00 0.62 C ATOM 257 O LYS A 17 68.671 -8.832 -4.685 1.00 0.57 O ATOM 258 CB LYS A 17 72.040 -9.102 -5.107 1.00 0.79 C ATOM 259 CG LYS A 17 72.266 -7.590 -5.052 1.00 1.01 C ATOM 260 CD LYS A 17 73.759 -7.302 -4.882 1.00 1.53 C ATOM 261 CE LYS A 17 74.536 -7.929 -6.041 1.00 1.70 C ATOM 262 NZ LYS A 17 75.082 -6.774 -6.808 1.00 2.33 N ATOM 0 H LYS A 17 72.216 -11.163 -3.919 1.00 0.69 H new ATOM 0 HA LYS A 17 70.771 -8.738 -3.364 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.957 -9.627 -4.839 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.784 -9.405 -6.122 1.00 0.79 H new ATOM 0 HG2 LYS A 17 71.897 -7.123 -5.965 1.00 1.01 H new ATOM 0 HG3 LYS A 17 71.705 -7.158 -4.223 1.00 1.01 H new ATOM 0 HD2 LYS A 17 73.932 -6.226 -4.855 1.00 1.53 H new ATOM 0 HD3 LYS A 17 74.112 -7.706 -3.933 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.335 -8.574 -5.677 1.00 1.70 H new ATOM 0 HE3 LYS A 17 73.887 -8.545 -6.664 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 75.629 -7.124 -7.621 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 74.298 -6.181 -7.148 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 75.701 -6.210 -6.192 1.00 2.33 H new ATOM 276 N ASN A 18 69.472 -10.565 -5.771 1.00 0.65 N ATOM 277 CA ASN A 18 68.202 -10.732 -6.536 1.00 0.64 C ATOM 278 C ASN A 18 66.997 -10.633 -5.596 1.00 0.58 C ATOM 279 O ASN A 18 65.923 -10.224 -5.992 1.00 0.56 O ATOM 280 CB ASN A 18 68.291 -12.130 -7.148 1.00 0.73 C ATOM 281 CG ASN A 18 68.944 -12.043 -8.529 1.00 0.91 C ATOM 282 OD1 ASN A 18 68.280 -11.784 -9.513 1.00 1.55 O ATOM 283 ND2 ASN A 18 70.227 -12.251 -8.644 1.00 1.35 N ATOM 0 H ASN A 18 70.203 -11.242 -5.990 1.00 0.65 H new ATOM 0 HA ASN A 18 68.074 -9.960 -7.295 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.872 -12.786 -6.500 1.00 0.73 H new ATOM 0 HB3 ASN A 18 67.295 -12.566 -7.232 1.00 0.73 H new ATOM 0 HD21 ASN A 18 70.672 -12.196 -9.560 1.00 1.35 H new ATOM 0 HD22 ASN A 18 70.784 -12.468 -7.818 1.00 1.35 H new ATOM 290 N GLU A 19 67.165 -11.007 -4.358 1.00 0.62 N ATOM 291 CA GLU A 19 66.025 -10.935 -3.397 1.00 0.64 C ATOM 292 C GLU A 19 65.663 -9.475 -3.111 1.00 0.58 C ATOM 293 O GLU A 19 64.504 -9.114 -3.046 1.00 0.61 O ATOM 294 CB GLU A 19 66.533 -11.621 -2.128 1.00 0.75 C ATOM 295 CG GLU A 19 65.503 -11.454 -1.009 1.00 1.47 C ATOM 296 CD GLU A 19 66.135 -11.840 0.329 1.00 2.01 C ATOM 297 OE1 GLU A 19 67.125 -11.227 0.693 1.00 2.64 O ATOM 298 OE2 GLU A 19 65.619 -12.743 0.967 1.00 2.50 O ATOM 0 H GLU A 19 68.040 -11.359 -3.969 1.00 0.62 H new ATOM 0 HA GLU A 19 65.126 -11.413 -3.787 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.709 -12.680 -2.320 1.00 0.75 H new ATOM 0 HB3 GLU A 19 67.487 -11.189 -1.826 1.00 0.75 H new ATOM 0 HG2 GLU A 19 65.153 -10.422 -0.974 1.00 1.47 H new ATOM 0 HG3 GLU A 19 64.632 -12.079 -1.206 1.00 1.47 H new ATOM 305 N PHE A 20 66.644 -8.632 -2.938 1.00 0.58 N ATOM 306 CA PHE A 20 66.352 -7.197 -2.655 1.00 0.59 C ATOM 307 C PHE A 20 65.783 -6.514 -3.902 1.00 0.53 C ATOM 308 O PHE A 20 64.878 -5.709 -3.823 1.00 0.54 O ATOM 309 CB PHE A 20 67.702 -6.587 -2.276 1.00 0.67 C ATOM 310 CG PHE A 20 67.862 -6.609 -0.775 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.795 -6.233 0.049 1.00 1.85 C ATOM 312 CD2 PHE A 20 69.078 -7.006 -0.206 1.00 1.87 C ATOM 313 CE1 PHE A 20 66.943 -6.254 1.441 1.00 2.52 C ATOM 314 CE2 PHE A 20 69.226 -7.028 1.186 1.00 2.57 C ATOM 315 CZ PHE A 20 68.160 -6.652 2.010 1.00 2.67 C ATOM 0 H PHE A 20 67.634 -8.874 -2.980 1.00 0.58 H new ATOM 0 HA PHE A 20 65.612 -7.074 -1.864 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.511 -7.146 -2.747 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.766 -5.563 -2.644 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.857 -5.926 -0.389 1.00 1.85 H new ATOM 0 HD2 PHE A 20 69.902 -7.295 -0.841 1.00 1.87 H new ATOM 0 HE1 PHE A 20 66.119 -5.963 2.076 1.00 2.52 H new ATOM 0 HE2 PHE A 20 70.164 -7.336 1.624 1.00 2.57 H new ATOM 0 HZ PHE A 20 68.275 -6.668 3.084 1.00 2.67 H new ATOM 325 N LYS A 21 66.309 -6.829 -5.054 1.00 0.53 N ATOM 326 CA LYS A 21 65.799 -6.198 -6.305 1.00 0.53 C ATOM 327 C LYS A 21 64.294 -6.442 -6.446 1.00 0.50 C ATOM 328 O LYS A 21 63.550 -5.575 -6.861 1.00 0.63 O ATOM 329 CB LYS A 21 66.562 -6.890 -7.434 1.00 0.61 C ATOM 330 CG LYS A 21 66.775 -5.905 -8.585 1.00 0.68 C ATOM 331 CD LYS A 21 68.168 -6.113 -9.183 1.00 1.26 C ATOM 332 CE LYS A 21 68.276 -5.351 -10.505 1.00 1.85 C ATOM 333 NZ LYS A 21 67.998 -6.367 -11.557 1.00 1.94 N ATOM 0 H LYS A 21 67.070 -7.496 -5.183 1.00 0.53 H new ATOM 0 HA LYS A 21 65.947 -5.118 -6.314 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.523 -7.252 -7.069 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.005 -7.759 -7.784 1.00 0.61 H new ATOM 0 HG2 LYS A 21 66.013 -6.053 -9.350 1.00 0.68 H new ATOM 0 HG3 LYS A 21 66.671 -4.881 -8.226 1.00 0.68 H new ATOM 0 HD2 LYS A 21 68.930 -5.763 -8.486 1.00 1.26 H new ATOM 0 HD3 LYS A 21 68.350 -7.175 -9.348 1.00 1.26 H new ATOM 0 HE2 LYS A 21 67.559 -4.531 -10.548 1.00 1.85 H new ATOM 0 HE3 LYS A 21 69.267 -4.914 -10.629 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 68.054 -5.920 -12.494 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 68.700 -7.131 -11.496 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 67.045 -6.760 -11.417 1.00 1.94 H new ATOM 347 N ALA A 22 63.843 -7.617 -6.107 1.00 0.51 N ATOM 348 CA ALA A 22 62.387 -7.921 -6.224 1.00 0.60 C ATOM 349 C ALA A 22 61.578 -7.060 -5.250 1.00 0.51 C ATOM 350 O ALA A 22 60.381 -6.905 -5.393 1.00 0.50 O ATOM 351 CB ALA A 22 62.265 -9.401 -5.860 1.00 0.76 C ATOM 0 H ALA A 22 64.419 -8.381 -5.754 1.00 0.51 H new ATOM 0 HA ALA A 22 62.002 -7.710 -7.222 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.220 -9.706 -5.922 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.858 -9.996 -6.554 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.629 -9.557 -4.845 1.00 0.76 H new ATOM 357 N ALA A 23 62.217 -6.500 -4.259 1.00 0.51 N ATOM 358 CA ALA A 23 61.474 -5.654 -3.280 1.00 0.47 C ATOM 359 C ALA A 23 61.716 -4.169 -3.566 1.00 0.43 C ATOM 360 O ALA A 23 61.110 -3.305 -2.964 1.00 0.46 O ATOM 361 CB ALA A 23 62.045 -6.033 -1.914 1.00 0.58 C ATOM 0 H ALA A 23 63.218 -6.591 -4.085 1.00 0.51 H new ATOM 0 HA ALA A 23 60.397 -5.816 -3.333 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.548 -5.451 -1.138 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.881 -7.095 -1.733 1.00 0.58 H new ATOM 0 HB3 ALA A 23 63.114 -5.823 -1.896 1.00 0.58 H new ATOM 367 N PHE A 24 62.600 -3.865 -4.476 1.00 0.54 N ATOM 368 CA PHE A 24 62.878 -2.435 -4.793 1.00 0.56 C ATOM 369 C PHE A 24 62.222 -2.047 -6.121 1.00 0.56 C ATOM 370 O PHE A 24 61.623 -0.997 -6.246 1.00 0.60 O ATOM 371 CB PHE A 24 64.400 -2.346 -4.900 1.00 0.66 C ATOM 372 CG PHE A 24 64.790 -0.965 -5.368 1.00 0.60 C ATOM 373 CD1 PHE A 24 64.956 0.068 -4.438 1.00 1.24 C ATOM 374 CD2 PHE A 24 64.987 -0.719 -6.731 1.00 1.45 C ATOM 375 CE1 PHE A 24 65.319 1.348 -4.872 1.00 1.24 C ATOM 376 CE2 PHE A 24 65.349 0.562 -7.166 1.00 1.61 C ATOM 377 CZ PHE A 24 65.516 1.596 -6.236 1.00 0.94 C ATOM 0 H PHE A 24 63.141 -4.543 -5.013 1.00 0.54 H new ATOM 0 HA PHE A 24 62.480 -1.759 -4.036 1.00 0.56 H new ATOM 0 HB2 PHE A 24 64.856 -2.557 -3.933 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.771 -3.097 -5.598 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.804 -0.123 -3.386 1.00 1.24 H new ATOM 0 HD2 PHE A 24 64.860 -1.517 -7.448 1.00 1.45 H new ATOM 0 HE1 PHE A 24 65.447 2.145 -4.155 1.00 1.24 H new ATOM 0 HE2 PHE A 24 65.499 0.753 -8.218 1.00 1.61 H new ATOM 0 HZ PHE A 24 65.796 2.584 -6.571 1.00 0.94 H new ATOM 387 N ASP A 25 62.332 -2.887 -7.114 1.00 0.58 N ATOM 388 CA ASP A 25 61.717 -2.567 -8.435 1.00 0.64 C ATOM 389 C ASP A 25 60.190 -2.502 -8.318 1.00 0.66 C ATOM 390 O ASP A 25 59.505 -2.121 -9.246 1.00 0.76 O ATOM 391 CB ASP A 25 62.134 -3.715 -9.353 1.00 0.68 C ATOM 392 CG ASP A 25 62.475 -3.163 -10.738 1.00 1.05 C ATOM 393 OD1 ASP A 25 63.518 -2.541 -10.865 1.00 1.58 O ATOM 394 OD2 ASP A 25 61.690 -3.372 -11.648 1.00 1.78 O ATOM 0 H ASP A 25 62.821 -3.781 -7.068 1.00 0.58 H new ATOM 0 HA ASP A 25 62.043 -1.598 -8.814 1.00 0.64 H new ATOM 0 HB2 ASP A 25 62.996 -4.234 -8.935 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.328 -4.445 -9.429 1.00 0.68 H new ATOM 399 N ILE A 26 59.652 -2.879 -7.192 1.00 0.61 N ATOM 400 CA ILE A 26 58.171 -2.844 -7.028 1.00 0.67 C ATOM 401 C ILE A 26 57.675 -1.405 -6.852 1.00 0.73 C ATOM 402 O ILE A 26 56.494 -1.166 -6.698 1.00 0.99 O ATOM 403 CB ILE A 26 57.895 -3.660 -5.769 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.500 -5.057 -5.933 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.382 -3.772 -5.560 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.920 -5.996 -4.876 1.00 0.84 C ATOM 0 H ILE A 26 60.172 -3.209 -6.379 1.00 0.61 H new ATOM 0 HA ILE A 26 57.656 -3.245 -7.901 1.00 0.67 H new ATOM 0 HB ILE A 26 58.343 -3.170 -4.904 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.288 -5.441 -6.931 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.584 -5.008 -5.834 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.181 -4.355 -4.661 1.00 0.83 H new ATOM 0 HG22 ILE A 26 55.955 -2.775 -5.449 1.00 0.83 H new ATOM 0 HG23 ILE A 26 55.931 -4.266 -6.421 1.00 0.83 H new ATOM 0 HD11 ILE A 26 58.352 -6.989 -4.995 1.00 0.84 H new ATOM 0 HD12 ILE A 26 58.155 -5.615 -3.882 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.838 -6.054 -4.996 1.00 0.84 H new ATOM 418 N PHE A 27 58.560 -0.444 -6.867 1.00 0.57 N ATOM 419 CA PHE A 27 58.111 0.969 -6.693 1.00 0.63 C ATOM 420 C PHE A 27 59.082 1.944 -7.366 1.00 0.59 C ATOM 421 O PHE A 27 59.502 2.918 -6.774 1.00 0.67 O ATOM 422 CB PHE A 27 58.097 1.190 -5.181 1.00 0.70 C ATOM 423 CG PHE A 27 56.964 0.406 -4.567 1.00 0.67 C ATOM 424 CD1 PHE A 27 55.641 0.832 -4.742 1.00 1.17 C ATOM 425 CD2 PHE A 27 57.234 -0.748 -3.821 1.00 1.44 C ATOM 426 CE1 PHE A 27 54.591 0.105 -4.172 1.00 1.20 C ATOM 427 CE2 PHE A 27 56.183 -1.476 -3.251 1.00 1.65 C ATOM 428 CZ PHE A 27 54.860 -1.050 -3.426 1.00 1.09 C ATOM 0 H PHE A 27 59.564 -0.573 -6.991 1.00 0.57 H new ATOM 0 HA PHE A 27 57.137 1.143 -7.149 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.047 0.876 -4.748 1.00 0.70 H new ATOM 0 HB3 PHE A 27 57.981 2.251 -4.959 1.00 0.70 H new ATOM 0 HD1 PHE A 27 55.432 1.722 -5.317 1.00 1.17 H new ATOM 0 HD2 PHE A 27 58.254 -1.077 -3.685 1.00 1.44 H new ATOM 0 HE1 PHE A 27 53.571 0.434 -4.307 1.00 1.20 H new ATOM 0 HE2 PHE A 27 56.392 -2.366 -2.676 1.00 1.65 H new ATOM 0 HZ PHE A 27 54.049 -1.611 -2.986 1.00 1.09 H new ATOM 438 N VAL A 28 59.435 1.703 -8.600 1.00 0.58 N ATOM 439 CA VAL A 28 60.371 2.635 -9.297 1.00 0.59 C ATOM 440 C VAL A 28 59.583 3.668 -10.103 1.00 0.64 C ATOM 441 O VAL A 28 60.127 4.376 -10.927 1.00 0.73 O ATOM 442 CB VAL A 28 61.204 1.753 -10.225 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.355 2.571 -10.811 1.00 1.41 C ATOM 444 CG2 VAL A 28 61.769 0.576 -9.432 1.00 1.37 C ATOM 0 H VAL A 28 59.119 0.907 -9.154 1.00 0.58 H new ATOM 0 HA VAL A 28 60.997 3.187 -8.596 1.00 0.59 H new ATOM 0 HB VAL A 28 60.576 1.381 -11.034 1.00 0.60 H new ATOM 0 HG11 VAL A 28 62.949 1.941 -11.473 1.00 1.41 H new ATOM 0 HG12 VAL A 28 61.953 3.413 -11.375 1.00 1.41 H new ATOM 0 HG13 VAL A 28 62.985 2.944 -10.003 1.00 1.41 H new ATOM 0 HG21 VAL A 28 62.364 -0.055 -10.092 1.00 1.37 H new ATOM 0 HG22 VAL A 28 62.397 0.950 -8.624 1.00 1.37 H new ATOM 0 HG23 VAL A 28 60.949 -0.008 -9.014 1.00 1.37 H new ATOM 454 N LEU A 29 58.302 3.756 -9.875 1.00 0.75 N ATOM 455 CA LEU A 29 57.475 4.742 -10.632 1.00 0.91 C ATOM 456 C LEU A 29 57.692 6.163 -10.095 1.00 1.10 C ATOM 457 O LEU A 29 57.046 7.100 -10.521 1.00 1.54 O ATOM 458 CB LEU A 29 56.016 4.278 -10.453 1.00 1.17 C ATOM 459 CG LEU A 29 55.433 4.712 -9.094 1.00 1.49 C ATOM 460 CD1 LEU A 29 56.420 4.423 -7.961 1.00 2.09 C ATOM 461 CD2 LEU A 29 55.101 6.207 -9.119 1.00 1.73 C ATOM 0 H LEU A 29 57.791 3.189 -9.198 1.00 0.75 H new ATOM 0 HA LEU A 29 57.747 4.780 -11.687 1.00 0.91 H new ATOM 0 HB2 LEU A 29 55.404 4.688 -11.257 1.00 1.17 H new ATOM 0 HB3 LEU A 29 55.968 3.192 -10.538 1.00 1.17 H new ATOM 0 HG LEU A 29 54.522 4.141 -8.916 1.00 1.49 H new ATOM 0 HD11 LEU A 29 55.987 4.738 -7.012 1.00 2.09 H new ATOM 0 HD12 LEU A 29 56.632 3.354 -7.927 1.00 2.09 H new ATOM 0 HD13 LEU A 29 57.346 4.971 -8.136 1.00 2.09 H new ATOM 0 HD21 LEU A 29 54.690 6.505 -8.154 1.00 1.73 H new ATOM 0 HD22 LEU A 29 56.008 6.778 -9.318 1.00 1.73 H new ATOM 0 HD23 LEU A 29 54.369 6.404 -9.902 1.00 1.73 H new ATOM 473 N GLY A 30 58.597 6.334 -9.170 1.00 1.47 N ATOM 474 CA GLY A 30 58.849 7.694 -8.617 1.00 1.89 C ATOM 475 C GLY A 30 59.953 8.377 -9.426 1.00 1.94 C ATOM 476 O GLY A 30 59.788 9.479 -9.911 1.00 2.46 O ATOM 0 H GLY A 30 59.172 5.591 -8.774 1.00 1.47 H new ATOM 0 HA2 GLY A 30 57.936 8.288 -8.654 1.00 1.89 H new ATOM 0 HA3 GLY A 30 59.142 7.624 -7.569 1.00 1.89 H new ATOM 480 N ALA A 31 61.077 7.732 -9.573 1.00 1.89 N ATOM 481 CA ALA A 31 62.192 8.345 -10.349 1.00 2.14 C ATOM 482 C ALA A 31 62.038 8.025 -11.838 1.00 2.28 C ATOM 483 O ALA A 31 60.946 7.815 -12.328 1.00 2.46 O ATOM 484 CB ALA A 31 63.461 7.701 -9.791 1.00 1.97 C ATOM 0 H ALA A 31 61.272 6.807 -9.190 1.00 1.89 H new ATOM 0 HA ALA A 31 62.211 9.431 -10.258 1.00 2.14 H new ATOM 0 HB1 ALA A 31 64.331 8.101 -10.312 1.00 1.97 H new ATOM 0 HB2 ALA A 31 63.543 7.921 -8.727 1.00 1.97 H new ATOM 0 HB3 ALA A 31 63.415 6.622 -9.936 1.00 1.97 H new ATOM 490 N GLU A 32 63.122 7.986 -12.562 1.00 2.73 N ATOM 491 CA GLU A 32 63.036 7.679 -14.020 1.00 2.98 C ATOM 492 C GLU A 32 64.213 6.796 -14.443 1.00 2.33 C ATOM 493 O GLU A 32 64.492 6.637 -15.615 1.00 2.34 O ATOM 494 CB GLU A 32 63.106 9.039 -14.716 1.00 3.71 C ATOM 495 CG GLU A 32 62.695 8.885 -16.180 1.00 4.48 C ATOM 496 CD GLU A 32 61.912 10.122 -16.624 1.00 5.14 C ATOM 497 OE1 GLU A 32 62.494 11.194 -16.636 1.00 5.71 O ATOM 498 OE2 GLU A 32 60.744 9.976 -16.945 1.00 5.38 O ATOM 0 H GLU A 32 64.064 8.153 -12.209 1.00 2.73 H new ATOM 0 HA GLU A 32 62.125 7.138 -14.276 1.00 2.98 H new ATOM 0 HB2 GLU A 32 62.448 9.750 -14.216 1.00 3.71 H new ATOM 0 HB3 GLU A 32 64.117 9.441 -14.652 1.00 3.71 H new ATOM 0 HG2 GLU A 32 63.579 8.757 -16.805 1.00 4.48 H new ATOM 0 HG3 GLU A 32 62.084 7.991 -16.305 1.00 4.48 H new ATOM 505 N ASP A 33 64.905 6.221 -13.499 1.00 2.13 N ATOM 506 CA ASP A 33 66.062 5.348 -13.849 1.00 2.25 C ATOM 507 C ASP A 33 66.247 4.264 -12.783 1.00 1.67 C ATOM 508 O ASP A 33 67.204 4.272 -12.034 1.00 2.00 O ATOM 509 CB ASP A 33 67.271 6.285 -13.877 1.00 3.20 C ATOM 510 CG ASP A 33 68.388 5.653 -14.709 1.00 3.87 C ATOM 511 OD1 ASP A 33 68.107 5.232 -15.819 1.00 4.49 O ATOM 512 OD2 ASP A 33 69.506 5.601 -14.222 1.00 4.16 O ATOM 0 H ASP A 33 64.720 6.317 -12.501 1.00 2.13 H new ATOM 0 HA ASP A 33 65.921 4.836 -14.801 1.00 2.25 H new ATOM 0 HB2 ASP A 33 66.988 7.248 -14.301 1.00 3.20 H new ATOM 0 HB3 ASP A 33 67.621 6.474 -12.862 1.00 3.20 H new ATOM 517 N GLY A 34 65.338 3.330 -12.710 1.00 1.10 N ATOM 518 CA GLY A 34 65.460 2.247 -11.693 1.00 1.18 C ATOM 519 C GLY A 34 65.622 2.867 -10.306 1.00 0.92 C ATOM 520 O GLY A 34 66.328 2.352 -9.461 1.00 1.03 O ATOM 0 H GLY A 34 64.516 3.270 -13.311 1.00 1.10 H new ATOM 0 HA2 GLY A 34 64.576 1.610 -11.717 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.317 1.613 -11.922 1.00 1.18 H new ATOM 524 N CYS A 35 64.969 3.969 -10.063 1.00 0.78 N ATOM 525 CA CYS A 35 65.079 4.627 -8.729 1.00 0.68 C ATOM 526 C CYS A 35 63.692 4.758 -8.095 1.00 0.69 C ATOM 527 O CYS A 35 62.688 4.790 -8.779 1.00 0.89 O ATOM 528 CB CYS A 35 65.673 6.006 -9.014 1.00 0.78 C ATOM 529 SG CYS A 35 67.478 5.906 -8.974 1.00 1.27 S ATOM 0 H CYS A 35 64.362 4.444 -10.731 1.00 0.78 H new ATOM 0 HA CYS A 35 65.695 4.057 -8.034 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.340 6.363 -9.988 1.00 0.78 H new ATOM 0 HB3 CYS A 35 65.322 6.725 -8.274 1.00 0.78 H new ATOM 0 HG CYS A 35 67.904 5.317 -10.052 1.00 1.27 H new ATOM 535 N ILE A 36 63.625 4.832 -6.793 1.00 0.57 N ATOM 536 CA ILE A 36 62.299 4.958 -6.125 1.00 0.57 C ATOM 537 C ILE A 36 62.249 6.227 -5.269 1.00 0.50 C ATOM 538 O ILE A 36 63.265 6.816 -4.955 1.00 0.60 O ATOM 539 CB ILE A 36 62.177 3.715 -5.244 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.259 3.750 -4.161 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.357 2.463 -6.102 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.140 2.505 -3.280 1.00 0.75 C ATOM 0 H ILE A 36 64.429 4.811 -6.165 1.00 0.57 H new ATOM 0 HA ILE A 36 61.484 5.031 -6.845 1.00 0.57 H new ATOM 0 HB ILE A 36 61.193 3.697 -4.775 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.247 3.791 -4.620 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.152 4.649 -3.554 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.270 1.576 -5.474 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.588 2.438 -6.874 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.341 2.481 -6.570 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.910 2.530 -2.509 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.157 2.484 -2.810 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.268 1.612 -3.892 1.00 0.75 H new ATOM 554 N SER A 37 61.074 6.649 -4.890 1.00 0.54 N ATOM 555 CA SER A 37 60.958 7.877 -4.052 1.00 0.50 C ATOM 556 C SER A 37 61.325 7.559 -2.601 1.00 0.48 C ATOM 557 O SER A 37 60.724 6.713 -1.970 1.00 0.60 O ATOM 558 CB SER A 37 59.491 8.291 -4.159 1.00 0.55 C ATOM 559 OG SER A 37 58.800 7.877 -2.987 1.00 1.02 O ATOM 0 H SER A 37 60.190 6.197 -5.124 1.00 0.54 H new ATOM 0 HA SER A 37 61.628 8.671 -4.382 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.414 9.372 -4.278 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.037 7.840 -5.041 1.00 0.55 H new ATOM 0 HG SER A 37 57.859 8.142 -3.051 1.00 1.02 H new ATOM 565 N THR A 38 62.307 8.230 -2.067 1.00 0.48 N ATOM 566 CA THR A 38 62.714 7.966 -0.657 1.00 0.53 C ATOM 567 C THR A 38 61.480 7.856 0.246 1.00 0.53 C ATOM 568 O THR A 38 61.520 7.239 1.292 1.00 0.59 O ATOM 569 CB THR A 38 63.563 9.174 -0.258 1.00 0.64 C ATOM 570 OG1 THR A 38 62.920 10.365 -0.686 1.00 0.62 O ATOM 571 CG2 THR A 38 64.941 9.071 -0.915 1.00 0.85 C ATOM 0 H THR A 38 62.847 8.951 -2.546 1.00 0.48 H new ATOM 0 HA THR A 38 63.261 7.029 -0.557 1.00 0.53 H new ATOM 0 HB THR A 38 63.680 9.194 0.825 1.00 0.64 H new ATOM 0 HG1 THR A 38 63.267 11.126 -0.175 1.00 0.62 H new ATOM 0 HG21 THR A 38 65.545 9.932 -0.630 1.00 0.85 H new ATOM 0 HG22 THR A 38 65.434 8.157 -0.585 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.827 9.051 -1.999 1.00 0.85 H new ATOM 579 N LYS A 39 60.387 8.452 -0.145 1.00 0.60 N ATOM 580 CA LYS A 39 59.158 8.383 0.697 1.00 0.73 C ATOM 581 C LYS A 39 58.438 7.046 0.489 1.00 0.66 C ATOM 582 O LYS A 39 57.567 6.679 1.252 1.00 0.87 O ATOM 583 CB LYS A 39 58.284 9.542 0.215 1.00 0.90 C ATOM 584 CG LYS A 39 59.124 10.819 0.144 1.00 1.78 C ATOM 585 CD LYS A 39 58.498 11.892 1.037 1.00 2.12 C ATOM 586 CE LYS A 39 58.878 13.278 0.511 1.00 2.70 C ATOM 587 NZ LYS A 39 59.310 14.040 1.715 1.00 2.96 N ATOM 0 H LYS A 39 60.291 8.983 -1.010 1.00 0.60 H new ATOM 0 HA LYS A 39 59.385 8.455 1.761 1.00 0.73 H new ATOM 0 HB2 LYS A 39 57.867 9.313 -0.766 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.443 9.684 0.894 1.00 0.90 H new ATOM 0 HG2 LYS A 39 60.145 10.614 0.465 1.00 1.78 H new ATOM 0 HG3 LYS A 39 59.179 11.174 -0.885 1.00 1.78 H new ATOM 0 HD2 LYS A 39 57.414 11.781 1.051 1.00 2.12 H new ATOM 0 HD3 LYS A 39 58.844 11.773 2.064 1.00 2.12 H new ATOM 0 HE2 LYS A 39 59.679 13.215 -0.225 1.00 2.70 H new ATOM 0 HE3 LYS A 39 58.032 13.760 0.021 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 59.587 15.003 1.436 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 58.525 14.089 2.395 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 60.121 13.561 2.157 1.00 2.96 H new ATOM 601 N GLU A 40 58.791 6.315 -0.534 1.00 0.52 N ATOM 602 CA GLU A 40 58.115 5.007 -0.777 1.00 0.56 C ATOM 603 C GLU A 40 58.961 3.857 -0.217 1.00 0.52 C ATOM 604 O GLU A 40 58.446 2.827 0.170 1.00 0.59 O ATOM 605 CB GLU A 40 57.981 4.902 -2.301 1.00 0.71 C ATOM 606 CG GLU A 40 59.306 4.444 -2.915 1.00 1.06 C ATOM 607 CD GLU A 40 59.292 2.924 -3.079 1.00 1.41 C ATOM 608 OE1 GLU A 40 58.239 2.337 -2.887 1.00 2.23 O ATOM 609 OE2 GLU A 40 60.333 2.371 -3.394 1.00 1.60 O ATOM 0 H GLU A 40 59.514 6.565 -1.209 1.00 0.52 H new ATOM 0 HA GLU A 40 57.145 4.945 -0.284 1.00 0.56 H new ATOM 0 HB2 GLU A 40 57.190 4.197 -2.557 1.00 0.71 H new ATOM 0 HB3 GLU A 40 57.694 5.868 -2.716 1.00 0.71 H new ATOM 0 HG2 GLU A 40 59.456 4.924 -3.882 1.00 1.06 H new ATOM 0 HG3 GLU A 40 60.138 4.744 -2.278 1.00 1.06 H new ATOM 616 N LEU A 41 60.255 4.024 -0.170 1.00 0.51 N ATOM 617 CA LEU A 41 61.129 2.940 0.366 1.00 0.54 C ATOM 618 C LEU A 41 60.511 2.343 1.633 1.00 0.56 C ATOM 619 O LEU A 41 60.597 1.155 1.879 1.00 0.70 O ATOM 620 CB LEU A 41 62.456 3.627 0.691 1.00 0.62 C ATOM 621 CG LEU A 41 63.612 2.792 0.138 1.00 0.64 C ATOM 622 CD1 LEU A 41 64.936 3.324 0.691 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.434 1.333 0.561 1.00 1.40 C ATOM 0 H LEU A 41 60.745 4.863 -0.479 1.00 0.51 H new ATOM 0 HA LEU A 41 61.256 2.122 -0.343 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.476 4.627 0.257 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.562 3.745 1.769 1.00 0.62 H new ATOM 0 HG LEU A 41 63.620 2.858 -0.950 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.760 2.729 0.297 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.064 4.364 0.391 1.00 1.18 H new ATOM 0 HD13 LEU A 41 64.929 3.258 1.779 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.257 0.737 0.167 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.427 1.268 1.649 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.491 0.953 0.168 1.00 1.40 H new ATOM 635 N GLY A 42 59.890 3.158 2.441 1.00 0.57 N ATOM 636 CA GLY A 42 59.268 2.637 3.691 1.00 0.60 C ATOM 637 C GLY A 42 58.495 1.355 3.384 1.00 0.55 C ATOM 638 O GLY A 42 58.807 0.294 3.886 1.00 0.57 O ATOM 0 H GLY A 42 59.786 4.161 2.290 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.038 2.440 4.437 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.598 3.385 4.115 1.00 0.60 H new ATOM 642 N LYS A 43 57.487 1.442 2.559 1.00 0.57 N ATOM 643 CA LYS A 43 56.697 0.224 2.220 1.00 0.58 C ATOM 644 C LYS A 43 57.630 -0.878 1.713 1.00 0.56 C ATOM 645 O LYS A 43 57.488 -2.034 2.061 1.00 0.60 O ATOM 646 CB LYS A 43 55.735 0.667 1.117 1.00 0.65 C ATOM 647 CG LYS A 43 54.750 1.692 1.683 1.00 0.99 C ATOM 648 CD LYS A 43 53.849 1.018 2.720 1.00 1.28 C ATOM 649 CE LYS A 43 52.457 0.800 2.123 1.00 1.53 C ATOM 650 NZ LYS A 43 51.515 1.023 3.255 1.00 1.86 N ATOM 0 H LYS A 43 57.177 2.302 2.106 1.00 0.57 H new ATOM 0 HA LYS A 43 56.164 -0.179 3.081 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.292 1.101 0.287 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.195 -0.194 0.723 1.00 0.65 H new ATOM 0 HG2 LYS A 43 55.293 2.519 2.140 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.145 2.113 0.880 1.00 0.99 H new ATOM 0 HD2 LYS A 43 54.279 0.064 3.025 1.00 1.28 H new ATOM 0 HD3 LYS A 43 53.780 1.637 3.614 1.00 1.28 H new ATOM 0 HE2 LYS A 43 52.264 1.495 1.306 1.00 1.53 H new ATOM 0 HE3 LYS A 43 52.355 -0.206 1.716 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 50.538 0.891 2.924 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 51.718 0.343 4.015 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 51.630 1.991 3.617 1.00 1.86 H new ATOM 664 N VAL A 44 58.585 -0.528 0.897 1.00 0.54 N ATOM 665 CA VAL A 44 59.532 -1.554 0.372 1.00 0.56 C ATOM 666 C VAL A 44 60.275 -2.217 1.537 1.00 0.59 C ATOM 667 O VAL A 44 60.425 -3.422 1.584 1.00 0.57 O ATOM 668 CB VAL A 44 60.496 -0.772 -0.530 1.00 0.59 C ATOM 669 CG1 VAL A 44 61.838 -1.502 -0.629 1.00 1.36 C ATOM 670 CG2 VAL A 44 59.888 -0.647 -1.929 1.00 1.36 C ATOM 0 H VAL A 44 58.752 0.424 0.570 1.00 0.54 H new ATOM 0 HA VAL A 44 59.032 -2.353 -0.176 1.00 0.56 H new ATOM 0 HB VAL A 44 60.659 0.217 -0.103 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.513 -0.937 -1.272 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.276 -1.595 0.365 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.682 -2.495 -1.051 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.570 -0.092 -2.574 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.724 -1.641 -2.345 1.00 1.36 H new ATOM 0 HG23 VAL A 44 58.937 -0.119 -1.866 1.00 1.36 H new ATOM 680 N MET A 45 60.741 -1.439 2.475 1.00 0.74 N ATOM 681 CA MET A 45 61.473 -2.027 3.633 1.00 0.84 C ATOM 682 C MET A 45 60.613 -3.099 4.308 1.00 0.86 C ATOM 683 O MET A 45 61.081 -4.173 4.631 1.00 0.89 O ATOM 684 CB MET A 45 61.719 -0.856 4.583 1.00 0.96 C ATOM 685 CG MET A 45 62.903 -0.028 4.078 1.00 1.12 C ATOM 686 SD MET A 45 64.451 -0.875 4.483 1.00 1.48 S ATOM 687 CE MET A 45 65.565 0.504 4.126 1.00 0.73 C ATOM 0 H MET A 45 60.647 -0.423 2.490 1.00 0.74 H new ATOM 0 HA MET A 45 62.404 -2.508 3.334 1.00 0.84 H new ATOM 0 HB2 MET A 45 60.827 -0.233 4.647 1.00 0.96 H new ATOM 0 HB3 MET A 45 61.923 -1.226 5.588 1.00 0.96 H new ATOM 0 HG2 MET A 45 62.826 0.116 3.000 1.00 1.12 H new ATOM 0 HG3 MET A 45 62.888 0.962 4.533 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.328 0.181 3.418 1.00 0.73 H new ATOM 0 HE2 MET A 45 64.997 1.329 3.697 1.00 0.73 H new ATOM 0 HE3 MET A 45 66.043 0.834 5.048 1.00 0.73 H new ATOM 697 N ARG A 46 59.357 -2.815 4.524 1.00 0.94 N ATOM 698 CA ARG A 46 58.467 -3.818 5.176 1.00 1.04 C ATOM 699 C ARG A 46 57.971 -4.833 4.142 1.00 1.00 C ATOM 700 O ARG A 46 57.311 -5.798 4.471 1.00 1.04 O ATOM 701 CB ARG A 46 57.298 -3.008 5.738 1.00 1.21 C ATOM 702 CG ARG A 46 56.514 -2.373 4.588 1.00 1.04 C ATOM 703 CD ARG A 46 55.040 -2.248 4.983 1.00 1.77 C ATOM 704 NE ARG A 46 54.350 -3.336 4.235 1.00 2.29 N ATOM 705 CZ ARG A 46 53.752 -4.297 4.885 1.00 2.76 C ATOM 706 NH1 ARG A 46 52.792 -4.018 5.725 1.00 3.45 N ATOM 707 NH2 ARG A 46 54.114 -5.536 4.696 1.00 3.10 N ATOM 0 H ARG A 46 58.909 -1.932 4.277 1.00 0.94 H new ATOM 0 HA ARG A 46 58.981 -4.382 5.955 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.644 -3.653 6.325 1.00 1.21 H new ATOM 0 HB3 ARG A 46 57.669 -2.234 6.410 1.00 1.21 H new ATOM 0 HG2 ARG A 46 56.923 -1.390 4.354 1.00 1.04 H new ATOM 0 HG3 ARG A 46 56.610 -2.981 3.689 1.00 1.04 H new ATOM 0 HD2 ARG A 46 54.908 -2.363 6.059 1.00 1.77 H new ATOM 0 HD3 ARG A 46 54.641 -1.270 4.715 1.00 1.77 H new ATOM 0 HE ARG A 46 54.345 -3.330 3.215 1.00 2.29 H new ATOM 0 HH11 ARG A 46 52.509 -3.049 5.873 1.00 3.45 H new ATOM 0 HH12 ARG A 46 52.325 -4.769 6.233 1.00 3.45 H new ATOM 0 HH21 ARG A 46 54.864 -5.754 4.040 1.00 3.10 H new ATOM 0 HH22 ARG A 46 53.647 -6.287 5.204 1.00 3.10 H new ATOM 721 N MET A 47 58.292 -4.625 2.893 1.00 0.98 N ATOM 722 CA MET A 47 57.845 -5.581 1.838 1.00 1.04 C ATOM 723 C MET A 47 58.811 -6.763 1.775 1.00 0.99 C ATOM 724 O MET A 47 58.413 -7.903 1.637 1.00 1.07 O ATOM 725 CB MET A 47 57.887 -4.782 0.535 1.00 1.19 C ATOM 726 CG MET A 47 56.467 -4.379 0.139 1.00 1.37 C ATOM 727 SD MET A 47 55.572 -5.833 -0.462 1.00 1.89 S ATOM 728 CE MET A 47 56.541 -6.087 -1.970 1.00 1.30 C ATOM 0 H MET A 47 58.844 -3.835 2.558 1.00 0.98 H new ATOM 0 HA MET A 47 56.851 -5.985 2.031 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.507 -3.894 0.660 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.341 -5.379 -0.256 1.00 1.19 H new ATOM 0 HG2 MET A 47 55.948 -3.947 0.995 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.498 -3.612 -0.635 1.00 1.37 H new ATOM 0 HE1 MET A 47 55.897 -6.488 -2.753 1.00 1.30 H new ATOM 0 HE2 MET A 47 56.961 -5.136 -2.297 1.00 1.30 H new ATOM 0 HE3 MET A 47 57.349 -6.790 -1.769 1.00 1.30 H new ATOM 738 N LEU A 48 60.081 -6.494 1.881 1.00 0.93 N ATOM 739 CA LEU A 48 61.089 -7.587 1.835 1.00 0.98 C ATOM 740 C LEU A 48 61.186 -8.243 3.218 1.00 1.32 C ATOM 741 O LEU A 48 61.601 -9.376 3.355 1.00 1.80 O ATOM 742 CB LEU A 48 62.393 -6.875 1.441 1.00 1.21 C ATOM 743 CG LEU A 48 63.621 -7.688 1.866 1.00 1.28 C ATOM 744 CD1 LEU A 48 63.858 -7.510 3.366 1.00 2.11 C ATOM 745 CD2 LEU A 48 63.409 -9.171 1.546 1.00 1.86 C ATOM 0 H LEU A 48 60.466 -5.557 1.998 1.00 0.93 H new ATOM 0 HA LEU A 48 60.846 -8.386 1.134 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.413 -6.719 0.362 1.00 1.21 H new ATOM 0 HB3 LEU A 48 62.427 -5.890 1.907 1.00 1.21 H new ATOM 0 HG LEU A 48 64.492 -7.331 1.316 1.00 1.28 H new ATOM 0 HD11 LEU A 48 64.731 -8.088 3.668 1.00 2.11 H new ATOM 0 HD12 LEU A 48 64.028 -6.456 3.585 1.00 2.11 H new ATOM 0 HD13 LEU A 48 62.984 -7.859 3.916 1.00 2.11 H new ATOM 0 HD21 LEU A 48 64.288 -9.739 1.852 1.00 1.86 H new ATOM 0 HD22 LEU A 48 62.535 -9.538 2.084 1.00 1.86 H new ATOM 0 HD23 LEU A 48 63.254 -9.293 0.474 1.00 1.86 H new ATOM 757 N GLY A 49 60.788 -7.539 4.244 1.00 1.36 N ATOM 758 CA GLY A 49 60.842 -8.122 5.616 1.00 1.95 C ATOM 759 C GLY A 49 61.339 -7.066 6.605 1.00 1.43 C ATOM 760 O GLY A 49 60.683 -6.754 7.578 1.00 1.92 O ATOM 0 H GLY A 49 60.428 -6.586 4.191 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.854 -8.474 5.911 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.505 -8.987 5.628 1.00 1.95 H new ATOM 764 N GLN A 50 62.495 -6.514 6.362 1.00 1.21 N ATOM 765 CA GLN A 50 63.039 -5.479 7.286 1.00 1.01 C ATOM 766 C GLN A 50 61.933 -4.511 7.714 1.00 1.02 C ATOM 767 O GLN A 50 60.939 -4.347 7.037 1.00 1.23 O ATOM 768 CB GLN A 50 64.107 -4.748 6.473 1.00 1.43 C ATOM 769 CG GLN A 50 65.494 -5.209 6.921 1.00 1.58 C ATOM 770 CD GLN A 50 65.772 -4.691 8.333 1.00 2.45 C ATOM 771 OE1 GLN A 50 66.017 -3.516 8.523 1.00 3.08 O ATOM 772 NE2 GLN A 50 65.744 -5.523 9.338 1.00 3.14 N ATOM 0 H GLN A 50 63.088 -6.735 5.562 1.00 1.21 H new ATOM 0 HA GLN A 50 63.446 -5.914 8.199 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.971 -4.949 5.410 1.00 1.43 H new ATOM 0 HB3 GLN A 50 64.009 -3.671 6.609 1.00 1.43 H new ATOM 0 HG2 GLN A 50 65.550 -6.297 6.904 1.00 1.58 H new ATOM 0 HG3 GLN A 50 66.252 -4.840 6.231 1.00 1.58 H new ATOM 0 HE21 GLN A 50 65.538 -6.509 9.178 1.00 3.14 H new ATOM 0 HE22 GLN A 50 65.928 -5.187 10.283 1.00 3.14 H new ATOM 781 N ASN A 51 62.105 -3.867 8.836 1.00 0.98 N ATOM 782 CA ASN A 51 61.070 -2.905 9.314 1.00 1.08 C ATOM 783 C ASN A 51 61.736 -1.785 10.118 1.00 0.93 C ATOM 784 O ASN A 51 61.540 -1.673 11.312 1.00 1.15 O ATOM 785 CB ASN A 51 60.142 -3.729 10.207 1.00 1.52 C ATOM 786 CG ASN A 51 60.975 -4.513 11.222 1.00 1.82 C ATOM 787 OD1 ASN A 51 61.834 -5.289 10.852 1.00 2.25 O ATOM 788 ND2 ASN A 51 60.757 -4.342 12.497 1.00 2.47 N ATOM 0 H ASN A 51 62.918 -3.965 9.443 1.00 0.98 H new ATOM 0 HA ASN A 51 60.527 -2.435 8.494 1.00 1.08 H new ATOM 0 HB2 ASN A 51 59.441 -3.074 10.724 1.00 1.52 H new ATOM 0 HB3 ASN A 51 59.550 -4.414 9.600 1.00 1.52 H new ATOM 0 HD21 ASN A 51 61.307 -4.859 13.182 1.00 2.47 H new ATOM 0 HD22 ASN A 51 60.036 -3.691 12.808 1.00 2.47 H new ATOM 795 N PRO A 52 62.509 -0.995 9.427 1.00 0.72 N ATOM 796 CA PRO A 52 63.227 0.132 10.071 1.00 0.80 C ATOM 797 C PRO A 52 62.254 1.257 10.433 1.00 0.80 C ATOM 798 O PRO A 52 61.141 1.311 9.948 1.00 0.80 O ATOM 799 CB PRO A 52 64.210 0.589 8.998 1.00 0.85 C ATOM 800 CG PRO A 52 63.599 0.160 7.703 1.00 0.79 C ATOM 801 CD PRO A 52 62.785 -1.076 7.988 1.00 0.71 C ATOM 0 HA PRO A 52 63.718 -0.152 11.002 1.00 0.80 H new ATOM 0 HB2 PRO A 52 64.353 1.669 9.028 1.00 0.85 H new ATOM 0 HB3 PRO A 52 65.190 0.134 9.142 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.970 0.950 7.293 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.371 -0.049 6.963 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.864 -1.091 7.405 1.00 0.71 H new ATOM 0 HD3 PRO A 52 63.335 -1.983 7.737 1.00 0.71 H new ATOM 809 N THR A 53 62.669 2.158 11.279 1.00 0.87 N ATOM 810 CA THR A 53 61.777 3.282 11.674 1.00 0.92 C ATOM 811 C THR A 53 61.866 4.407 10.634 1.00 0.82 C ATOM 812 O THR A 53 62.921 4.671 10.093 1.00 0.76 O ATOM 813 CB THR A 53 62.314 3.739 13.036 1.00 1.08 C ATOM 814 OG1 THR A 53 61.744 2.935 14.058 1.00 1.26 O ATOM 815 CG2 THR A 53 61.951 5.205 13.283 1.00 1.54 C ATOM 0 H THR A 53 63.591 2.164 11.715 1.00 0.87 H new ATOM 0 HA THR A 53 60.727 2.995 11.731 1.00 0.92 H new ATOM 0 HB THR A 53 63.399 3.636 13.043 1.00 1.08 H new ATOM 0 HG1 THR A 53 62.086 3.223 14.930 1.00 1.26 H new ATOM 0 HG21 THR A 53 62.338 5.517 14.253 1.00 1.54 H new ATOM 0 HG22 THR A 53 62.389 5.825 12.501 1.00 1.54 H new ATOM 0 HG23 THR A 53 60.867 5.318 13.271 1.00 1.54 H new ATOM 823 N PRO A 54 60.745 5.031 10.392 1.00 0.82 N ATOM 824 CA PRO A 54 60.687 6.140 9.407 1.00 0.75 C ATOM 825 C PRO A 54 61.395 7.379 9.959 1.00 0.73 C ATOM 826 O PRO A 54 62.090 8.077 9.247 1.00 0.69 O ATOM 827 CB PRO A 54 59.190 6.390 9.241 1.00 0.83 C ATOM 828 CG PRO A 54 58.573 5.893 10.509 1.00 0.94 C ATOM 829 CD PRO A 54 59.440 4.766 11.006 1.00 0.93 C ATOM 0 HA PRO A 54 61.180 5.907 8.463 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.981 7.449 9.089 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.795 5.859 8.375 1.00 0.83 H new ATOM 0 HG2 PRO A 54 58.516 6.691 11.249 1.00 0.94 H new ATOM 0 HG3 PRO A 54 57.554 5.548 10.333 1.00 0.94 H new ATOM 0 HD2 PRO A 54 59.504 4.760 12.094 1.00 0.93 H new ATOM 0 HD3 PRO A 54 59.046 3.795 10.705 1.00 0.93 H new ATOM 837 N GLU A 55 61.227 7.659 11.223 1.00 0.85 N ATOM 838 CA GLU A 55 61.894 8.852 11.818 1.00 0.87 C ATOM 839 C GLU A 55 63.407 8.776 11.597 1.00 0.84 C ATOM 840 O GLU A 55 64.084 9.781 11.518 1.00 0.82 O ATOM 841 CB GLU A 55 61.565 8.785 13.310 1.00 1.02 C ATOM 842 CG GLU A 55 60.055 8.932 13.507 1.00 1.48 C ATOM 843 CD GLU A 55 59.749 9.113 14.996 1.00 2.02 C ATOM 844 OE1 GLU A 55 60.529 8.637 15.803 1.00 2.57 O ATOM 845 OE2 GLU A 55 58.739 9.726 15.301 1.00 2.53 O ATOM 0 H GLU A 55 60.657 7.113 11.869 1.00 0.85 H new ATOM 0 HA GLU A 55 61.554 9.784 11.367 1.00 0.87 H new ATOM 0 HB2 GLU A 55 61.906 7.837 13.726 1.00 1.02 H new ATOM 0 HB3 GLU A 55 62.091 9.576 13.845 1.00 1.02 H new ATOM 0 HG2 GLU A 55 59.686 9.788 12.942 1.00 1.48 H new ATOM 0 HG3 GLU A 55 59.540 8.051 13.124 1.00 1.48 H new ATOM 852 N GLU A 56 63.942 7.589 11.496 1.00 0.88 N ATOM 853 CA GLU A 56 65.411 7.448 11.280 1.00 0.91 C ATOM 854 C GLU A 56 65.726 7.425 9.781 1.00 0.80 C ATOM 855 O GLU A 56 66.733 7.942 9.340 1.00 0.81 O ATOM 856 CB GLU A 56 65.782 6.114 11.927 1.00 1.00 C ATOM 857 CG GLU A 56 66.594 6.373 13.198 1.00 1.44 C ATOM 858 CD GLU A 56 66.549 5.135 14.095 1.00 1.39 C ATOM 859 OE1 GLU A 56 65.615 5.023 14.871 1.00 1.79 O ATOM 860 OE2 GLU A 56 67.450 4.319 13.989 1.00 2.00 O ATOM 0 H GLU A 56 63.426 6.711 11.554 1.00 0.88 H new ATOM 0 HA GLU A 56 65.972 8.278 11.709 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.880 5.551 12.167 1.00 1.00 H new ATOM 0 HB3 GLU A 56 66.361 5.508 11.230 1.00 1.00 H new ATOM 0 HG2 GLU A 56 67.626 6.611 12.940 1.00 1.44 H new ATOM 0 HG3 GLU A 56 66.191 7.235 13.730 1.00 1.44 H new ATOM 867 N LEU A 57 64.873 6.827 8.996 1.00 0.75 N ATOM 868 CA LEU A 57 65.122 6.769 7.527 1.00 0.70 C ATOM 869 C LEU A 57 65.222 8.184 6.948 1.00 0.67 C ATOM 870 O LEU A 57 66.174 8.523 6.274 1.00 0.71 O ATOM 871 CB LEU A 57 63.911 6.037 6.950 1.00 0.69 C ATOM 872 CG LEU A 57 64.213 4.541 6.858 1.00 1.00 C ATOM 873 CD1 LEU A 57 62.972 3.743 7.264 1.00 1.51 C ATOM 874 CD2 LEU A 57 64.596 4.187 5.418 1.00 1.41 C ATOM 0 H LEU A 57 64.013 6.375 9.308 1.00 0.75 H new ATOM 0 HA LEU A 57 66.057 6.263 7.287 1.00 0.70 H new ATOM 0 HB2 LEU A 57 63.038 6.204 7.581 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.671 6.431 5.963 1.00 0.69 H new ATOM 0 HG LEU A 57 65.038 4.295 7.527 1.00 1.00 H new ATOM 0 HD11 LEU A 57 63.188 2.677 7.198 1.00 1.51 H new ATOM 0 HD12 LEU A 57 62.696 3.995 8.288 1.00 1.51 H new ATOM 0 HD13 LEU A 57 62.147 3.988 6.595 1.00 1.51 H new ATOM 0 HD21 LEU A 57 64.812 3.121 5.351 1.00 1.41 H new ATOM 0 HD22 LEU A 57 63.770 4.433 4.751 1.00 1.41 H new ATOM 0 HD23 LEU A 57 65.479 4.755 5.126 1.00 1.41 H new ATOM 886 N GLN A 58 64.245 9.010 7.205 1.00 0.68 N ATOM 887 CA GLN A 58 64.282 10.401 6.668 1.00 0.72 C ATOM 888 C GLN A 58 65.688 10.991 6.815 1.00 0.71 C ATOM 889 O GLN A 58 66.325 11.353 5.845 1.00 0.79 O ATOM 890 CB GLN A 58 63.282 11.182 7.519 1.00 0.79 C ATOM 891 CG GLN A 58 62.250 11.851 6.610 1.00 1.09 C ATOM 892 CD GLN A 58 61.424 10.778 5.897 1.00 1.67 C ATOM 893 OE1 GLN A 58 60.665 10.064 6.523 1.00 2.37 O ATOM 894 NE2 GLN A 58 61.539 10.634 4.605 1.00 2.20 N ATOM 0 H GLN A 58 63.422 8.782 7.764 1.00 0.68 H new ATOM 0 HA GLN A 58 64.032 10.439 5.608 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.784 10.512 8.220 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.802 11.935 8.111 1.00 0.79 H new ATOM 0 HG2 GLN A 58 61.597 12.497 7.197 1.00 1.09 H new ATOM 0 HG3 GLN A 58 62.751 12.485 5.878 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.176 11.233 4.080 1.00 2.20 H new ATOM 0 HE22 GLN A 58 60.992 9.922 4.120 1.00 2.20 H new ATOM 903 N GLU A 59 66.177 11.092 8.021 1.00 0.70 N ATOM 904 CA GLU A 59 67.541 11.661 8.228 1.00 0.72 C ATOM 905 C GLU A 59 68.556 10.942 7.335 1.00 0.73 C ATOM 906 O GLU A 59 69.246 11.555 6.545 1.00 0.75 O ATOM 907 CB GLU A 59 67.854 11.411 9.703 1.00 0.75 C ATOM 908 CG GLU A 59 67.479 12.648 10.523 1.00 1.37 C ATOM 909 CD GLU A 59 68.752 13.383 10.947 1.00 1.66 C ATOM 910 OE1 GLU A 59 69.352 14.027 10.102 1.00 2.42 O ATOM 911 OE2 GLU A 59 69.106 13.289 12.112 1.00 2.02 O ATOM 0 H GLU A 59 65.692 10.806 8.872 1.00 0.70 H new ATOM 0 HA GLU A 59 67.589 12.720 7.974 1.00 0.72 H new ATOM 0 HB2 GLU A 59 67.300 10.543 10.061 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.913 11.187 9.828 1.00 0.75 H new ATOM 0 HG2 GLU A 59 66.843 13.309 9.934 1.00 1.37 H new ATOM 0 HG3 GLU A 59 66.905 12.355 11.402 1.00 1.37 H new ATOM 918 N MET A 60 68.651 9.645 7.454 1.00 0.79 N ATOM 919 CA MET A 60 69.623 8.888 6.612 1.00 0.84 C ATOM 920 C MET A 60 69.465 9.278 5.139 1.00 0.82 C ATOM 921 O MET A 60 70.433 9.485 4.434 1.00 0.96 O ATOM 922 CB MET A 60 69.262 7.417 6.818 1.00 0.93 C ATOM 923 CG MET A 60 70.541 6.578 6.863 1.00 1.27 C ATOM 924 SD MET A 60 70.144 4.854 6.480 1.00 1.65 S ATOM 925 CE MET A 60 68.694 4.709 7.552 1.00 0.97 C ATOM 0 H MET A 60 68.099 9.077 8.097 1.00 0.79 H new ATOM 0 HA MET A 60 70.657 9.097 6.886 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.702 7.296 7.745 1.00 0.93 H new ATOM 0 HB3 MET A 60 68.617 7.073 6.009 1.00 0.93 H new ATOM 0 HG2 MET A 60 71.267 6.963 6.147 1.00 1.27 H new ATOM 0 HG3 MET A 60 70.999 6.647 7.850 1.00 1.27 H new ATOM 0 HE1 MET A 60 68.504 3.657 7.767 1.00 0.97 H new ATOM 0 HE2 MET A 60 68.876 5.243 8.485 1.00 0.97 H new ATOM 0 HE3 MET A 60 67.827 5.139 7.051 1.00 0.97 H new ATOM 935 N ILE A 61 68.252 9.378 4.669 1.00 0.76 N ATOM 936 CA ILE A 61 68.033 9.751 3.242 1.00 0.78 C ATOM 937 C ILE A 61 68.655 11.120 2.950 1.00 0.77 C ATOM 938 O ILE A 61 69.338 11.305 1.962 1.00 0.82 O ATOM 939 CB ILE A 61 66.514 9.808 3.078 1.00 0.81 C ATOM 940 CG1 ILE A 61 65.938 8.394 3.182 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.168 10.396 1.710 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.441 8.472 3.480 1.00 0.98 C ATOM 0 H ILE A 61 67.403 9.218 5.211 1.00 0.76 H new ATOM 0 HA ILE A 61 68.493 9.041 2.555 1.00 0.78 H new ATOM 0 HB ILE A 61 66.089 10.436 3.861 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.106 7.852 2.251 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.448 7.840 3.970 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.085 10.436 1.595 1.00 0.89 H new ATOM 0 HG22 ILE A 61 66.579 11.403 1.632 1.00 0.89 H new ATOM 0 HG23 ILE A 61 66.593 9.769 0.926 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.032 7.464 3.554 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.284 8.997 4.422 1.00 0.98 H new ATOM 0 HD13 ILE A 61 63.938 9.010 2.677 1.00 0.98 H new ATOM 954 N ASP A 62 68.425 12.081 3.803 1.00 0.82 N ATOM 955 CA ASP A 62 69.003 13.436 3.572 1.00 0.90 C ATOM 956 C ASP A 62 70.515 13.416 3.816 1.00 0.85 C ATOM 957 O ASP A 62 71.200 14.396 3.602 1.00 0.91 O ATOM 958 CB ASP A 62 68.309 14.342 4.590 1.00 1.03 C ATOM 959 CG ASP A 62 66.803 14.351 4.321 1.00 1.58 C ATOM 960 OD1 ASP A 62 66.428 14.517 3.172 1.00 2.06 O ATOM 961 OD2 ASP A 62 66.051 14.193 5.268 1.00 2.24 O ATOM 0 H ASP A 62 67.863 11.987 4.649 1.00 0.82 H new ATOM 0 HA ASP A 62 68.851 13.780 2.549 1.00 0.90 H new ATOM 0 HB2 ASP A 62 68.506 13.988 5.602 1.00 1.03 H new ATOM 0 HB3 ASP A 62 68.707 15.354 4.523 1.00 1.03 H new ATOM 966 N GLU A 63 71.039 12.309 4.264 1.00 0.84 N ATOM 967 CA GLU A 63 72.501 12.227 4.523 1.00 0.91 C ATOM 968 C GLU A 63 73.172 11.360 3.449 1.00 1.01 C ATOM 969 O GLU A 63 74.182 11.726 2.883 1.00 1.32 O ATOM 970 CB GLU A 63 72.605 11.592 5.918 1.00 0.99 C ATOM 971 CG GLU A 63 73.855 10.715 6.017 1.00 1.35 C ATOM 972 CD GLU A 63 74.101 10.336 7.478 1.00 1.55 C ATOM 973 OE1 GLU A 63 73.535 10.987 8.341 1.00 2.14 O ATOM 974 OE2 GLU A 63 74.851 9.403 7.710 1.00 2.00 O ATOM 0 H GLU A 63 70.515 11.456 4.462 1.00 0.84 H new ATOM 0 HA GLU A 63 73.002 13.194 4.487 1.00 0.91 H new ATOM 0 HB2 GLU A 63 72.641 12.373 6.678 1.00 0.99 H new ATOM 0 HB3 GLU A 63 71.717 10.993 6.118 1.00 0.99 H new ATOM 0 HG2 GLU A 63 73.730 9.816 5.414 1.00 1.35 H new ATOM 0 HG3 GLU A 63 74.718 11.248 5.619 1.00 1.35 H new ATOM 981 N VAL A 64 72.614 10.216 3.167 1.00 0.92 N ATOM 982 CA VAL A 64 73.216 9.328 2.130 1.00 1.07 C ATOM 983 C VAL A 64 72.746 9.754 0.739 1.00 1.13 C ATOM 984 O VAL A 64 73.507 9.778 -0.208 1.00 1.54 O ATOM 985 CB VAL A 64 72.704 7.927 2.467 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.237 7.800 2.049 1.00 2.24 C ATOM 987 CG2 VAL A 64 73.538 6.886 1.717 1.00 1.42 C ATOM 0 H VAL A 64 71.768 9.856 3.609 1.00 0.92 H new ATOM 0 HA VAL A 64 74.305 9.372 2.124 1.00 1.07 H new ATOM 0 HB VAL A 64 72.790 7.760 3.541 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.875 6.801 2.290 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.641 8.540 2.583 1.00 2.24 H new ATOM 0 HG13 VAL A 64 71.149 7.968 0.976 1.00 2.24 H new ATOM 0 HG21 VAL A 64 73.174 5.887 1.957 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.452 7.056 0.644 1.00 1.42 H new ATOM 0 HG23 VAL A 64 74.583 6.973 2.016 1.00 1.42 H new ATOM 997 N ASP A 65 71.492 10.089 0.611 1.00 1.00 N ATOM 998 CA ASP A 65 70.964 10.515 -0.717 1.00 1.14 C ATOM 999 C ASP A 65 71.169 12.020 -0.912 1.00 1.45 C ATOM 1000 O ASP A 65 70.224 12.777 -1.005 1.00 1.74 O ATOM 1001 CB ASP A 65 69.472 10.179 -0.675 1.00 1.21 C ATOM 1002 CG ASP A 65 69.028 9.651 -2.040 1.00 2.09 C ATOM 1003 OD1 ASP A 65 69.883 9.203 -2.788 1.00 2.83 O ATOM 1004 OD2 ASP A 65 67.840 9.703 -2.314 1.00 2.63 O ATOM 0 H ASP A 65 70.809 10.086 1.369 1.00 1.00 H new ATOM 0 HA ASP A 65 71.473 10.017 -1.542 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.278 9.433 0.096 1.00 1.21 H new ATOM 0 HB3 ASP A 65 68.896 11.066 -0.412 1.00 1.21 H new ATOM 1043 N SER A 69 68.354 13.654 -4.049 1.00 1.42 N ATOM 1044 CA SER A 69 67.395 14.774 -3.828 1.00 1.79 C ATOM 1045 C SER A 69 65.999 14.225 -3.517 1.00 1.42 C ATOM 1046 O SER A 69 65.001 14.881 -3.738 1.00 1.97 O ATOM 1047 CB SER A 69 67.384 15.551 -5.143 1.00 2.79 C ATOM 1048 OG SER A 69 67.165 16.929 -4.872 1.00 3.72 O ATOM 0 HA SER A 69 67.683 15.402 -2.985 1.00 1.79 H new ATOM 0 HB2 SER A 69 68.331 15.417 -5.666 1.00 2.79 H new ATOM 0 HB3 SER A 69 66.601 15.168 -5.798 1.00 2.79 H new ATOM 0 HG SER A 69 67.159 17.431 -5.714 1.00 3.72 H new ATOM 1054 N GLY A 70 65.922 13.026 -3.006 1.00 1.01 N ATOM 1055 CA GLY A 70 64.592 12.440 -2.682 1.00 1.07 C ATOM 1056 C GLY A 70 64.385 11.159 -3.492 1.00 0.84 C ATOM 1057 O GLY A 70 63.271 10.721 -3.705 1.00 0.87 O ATOM 0 H GLY A 70 66.722 12.428 -2.799 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.529 12.222 -1.616 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.803 13.157 -2.908 1.00 1.07 H new ATOM 1061 N THR A 71 65.447 10.552 -3.946 1.00 0.70 N ATOM 1062 CA THR A 71 65.308 9.299 -4.742 1.00 0.55 C ATOM 1063 C THR A 71 66.554 8.424 -4.574 1.00 0.54 C ATOM 1064 O THR A 71 67.670 8.891 -4.679 1.00 0.72 O ATOM 1065 CB THR A 71 65.170 9.762 -6.192 1.00 0.60 C ATOM 1066 OG1 THR A 71 66.296 10.554 -6.545 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.894 10.591 -6.346 1.00 0.81 C ATOM 0 H THR A 71 66.405 10.869 -3.800 1.00 0.70 H new ATOM 0 HA THR A 71 64.454 8.701 -4.423 1.00 0.55 H new ATOM 0 HB THR A 71 65.117 8.892 -6.847 1.00 0.60 H new ATOM 0 HG1 THR A 71 67.069 10.282 -6.007 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.797 10.921 -7.380 1.00 0.81 H new ATOM 0 HG22 THR A 71 63.030 9.983 -6.076 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.944 11.461 -5.691 1.00 0.81 H new ATOM 1075 N VAL A 72 66.370 7.159 -4.316 1.00 0.52 N ATOM 1076 CA VAL A 72 67.547 6.256 -4.142 1.00 0.65 C ATOM 1077 C VAL A 72 67.680 5.299 -5.325 1.00 0.56 C ATOM 1078 O VAL A 72 66.788 5.160 -6.139 1.00 0.57 O ATOM 1079 CB VAL A 72 67.292 5.457 -2.859 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.740 6.280 -1.658 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.803 5.123 -2.722 1.00 1.23 C ATOM 0 H VAL A 72 65.459 6.710 -4.218 1.00 0.52 H new ATOM 0 HA VAL A 72 68.469 6.834 -4.085 1.00 0.65 H new ATOM 0 HB VAL A 72 67.857 4.526 -2.904 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.561 5.716 -0.743 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.804 6.501 -1.745 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.177 7.213 -1.625 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.640 4.556 -1.806 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.225 6.046 -2.685 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.483 4.529 -3.578 1.00 1.23 H new ATOM 1091 N ASP A 73 68.794 4.629 -5.409 1.00 0.64 N ATOM 1092 CA ASP A 73 69.015 3.659 -6.514 1.00 0.70 C ATOM 1093 C ASP A 73 69.644 2.389 -5.943 1.00 0.70 C ATOM 1094 O ASP A 73 70.131 2.380 -4.830 1.00 0.71 O ATOM 1095 CB ASP A 73 69.981 4.359 -7.472 1.00 0.85 C ATOM 1096 CG ASP A 73 71.335 4.545 -6.786 1.00 1.25 C ATOM 1097 OD1 ASP A 73 71.385 4.418 -5.574 1.00 1.72 O ATOM 1098 OD2 ASP A 73 72.299 4.811 -7.486 1.00 1.91 O ATOM 0 H ASP A 73 69.569 4.714 -4.751 1.00 0.64 H new ATOM 0 HA ASP A 73 68.093 3.372 -7.020 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.100 3.769 -8.381 1.00 0.85 H new ATOM 0 HB3 ASP A 73 69.577 5.326 -7.770 1.00 0.85 H new ATOM 1103 N PHE A 74 69.639 1.317 -6.683 1.00 0.81 N ATOM 1104 CA PHE A 74 70.241 0.059 -6.157 1.00 0.87 C ATOM 1105 C PHE A 74 71.576 0.360 -5.470 1.00 0.76 C ATOM 1106 O PHE A 74 72.010 -0.359 -4.593 1.00 0.74 O ATOM 1107 CB PHE A 74 70.451 -0.827 -7.385 1.00 1.04 C ATOM 1108 CG PHE A 74 70.307 -2.276 -6.988 1.00 1.34 C ATOM 1109 CD1 PHE A 74 69.114 -2.727 -6.411 1.00 2.11 C ATOM 1110 CD2 PHE A 74 71.366 -3.167 -7.195 1.00 2.16 C ATOM 1111 CE1 PHE A 74 68.981 -4.071 -6.041 1.00 3.02 C ATOM 1112 CE2 PHE A 74 71.232 -4.511 -6.826 1.00 3.14 C ATOM 1113 CZ PHE A 74 70.040 -4.963 -6.248 1.00 3.42 C ATOM 0 H PHE A 74 69.247 1.256 -7.623 1.00 0.81 H new ATOM 0 HA PHE A 74 69.606 -0.425 -5.415 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.724 -0.576 -8.157 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.440 -0.651 -7.809 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.297 -2.039 -6.251 1.00 2.11 H new ATOM 0 HD2 PHE A 74 72.286 -2.818 -7.639 1.00 2.16 H new ATOM 0 HE1 PHE A 74 68.061 -4.420 -5.596 1.00 3.02 H new ATOM 0 HE2 PHE A 74 72.049 -5.199 -6.987 1.00 3.14 H new ATOM 0 HZ PHE A 74 69.937 -5.999 -5.962 1.00 3.42 H new ATOM 1123 N ASP A 75 72.228 1.421 -5.861 1.00 0.79 N ATOM 1124 CA ASP A 75 73.531 1.771 -5.226 1.00 0.78 C ATOM 1125 C ASP A 75 73.304 2.302 -3.808 1.00 0.71 C ATOM 1126 O ASP A 75 73.986 1.921 -2.876 1.00 0.67 O ATOM 1127 CB ASP A 75 74.129 2.859 -6.117 1.00 0.96 C ATOM 1128 CG ASP A 75 75.590 3.093 -5.728 1.00 1.50 C ATOM 1129 OD1 ASP A 75 75.831 3.400 -4.571 1.00 2.18 O ATOM 1130 OD2 ASP A 75 76.441 2.962 -6.591 1.00 1.99 O ATOM 0 H ASP A 75 71.915 2.060 -6.592 1.00 0.79 H new ATOM 0 HA ASP A 75 74.191 0.908 -5.139 1.00 0.78 H new ATOM 0 HB2 ASP A 75 74.064 2.563 -7.164 1.00 0.96 H new ATOM 0 HB3 ASP A 75 73.561 3.783 -6.011 1.00 0.96 H new ATOM 1135 N GLU A 76 72.350 3.178 -3.633 1.00 0.74 N ATOM 1136 CA GLU A 76 72.086 3.728 -2.273 1.00 0.72 C ATOM 1137 C GLU A 76 71.180 2.776 -1.488 1.00 0.61 C ATOM 1138 O GLU A 76 71.496 2.370 -0.388 1.00 0.60 O ATOM 1139 CB GLU A 76 71.379 5.062 -2.516 1.00 0.82 C ATOM 1140 CG GLU A 76 72.369 6.065 -3.112 1.00 0.96 C ATOM 1141 CD GLU A 76 72.501 7.269 -2.177 1.00 1.36 C ATOM 1142 OE1 GLU A 76 71.487 7.709 -1.661 1.00 2.01 O ATOM 1143 OE2 GLU A 76 73.615 7.730 -1.991 1.00 2.14 O ATOM 0 H GLU A 76 71.744 3.535 -4.372 1.00 0.74 H new ATOM 0 HA GLU A 76 72.999 3.851 -1.691 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.536 4.921 -3.193 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.975 5.447 -1.580 1.00 0.82 H new ATOM 0 HG2 GLU A 76 73.341 5.593 -3.253 1.00 0.96 H new ATOM 0 HG3 GLU A 76 72.027 6.390 -4.095 1.00 0.96 H new ATOM 1150 N PHE A 77 70.055 2.418 -2.044 1.00 0.60 N ATOM 1151 CA PHE A 77 69.131 1.493 -1.328 1.00 0.54 C ATOM 1152 C PHE A 77 69.919 0.339 -0.703 1.00 0.48 C ATOM 1153 O PHE A 77 69.649 -0.082 0.405 1.00 0.55 O ATOM 1154 CB PHE A 77 68.178 0.973 -2.405 1.00 0.61 C ATOM 1155 CG PHE A 77 67.258 -0.063 -1.806 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.652 0.172 -0.566 1.00 1.52 C ATOM 1157 CD2 PHE A 77 67.011 -1.259 -2.491 1.00 1.30 C ATOM 1158 CE1 PHE A 77 65.799 -0.788 -0.011 1.00 1.78 C ATOM 1159 CE2 PHE A 77 66.158 -2.219 -1.936 1.00 1.38 C ATOM 1160 CZ PHE A 77 65.552 -1.984 -0.696 1.00 1.25 C ATOM 0 H PHE A 77 69.736 2.726 -2.963 1.00 0.60 H new ATOM 0 HA PHE A 77 68.597 1.988 -0.517 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.596 1.796 -2.818 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.745 0.539 -3.228 1.00 0.61 H new ATOM 0 HD1 PHE A 77 66.843 1.094 -0.038 1.00 1.52 H new ATOM 0 HD2 PHE A 77 67.479 -1.440 -3.447 1.00 1.30 H new ATOM 0 HE1 PHE A 77 65.331 -0.607 0.945 1.00 1.78 H new ATOM 0 HE2 PHE A 77 65.967 -3.141 -2.464 1.00 1.38 H new ATOM 0 HZ PHE A 77 64.894 -2.725 -0.268 1.00 1.25 H new ATOM 1170 N LEU A 78 70.893 -0.175 -1.404 1.00 0.46 N ATOM 1171 CA LEU A 78 71.697 -1.302 -0.850 1.00 0.49 C ATOM 1172 C LEU A 78 72.431 -0.858 0.418 1.00 0.48 C ATOM 1173 O LEU A 78 72.421 -1.540 1.424 1.00 0.54 O ATOM 1174 CB LEU A 78 72.699 -1.650 -1.951 1.00 0.56 C ATOM 1175 CG LEU A 78 72.149 -2.798 -2.800 1.00 0.78 C ATOM 1176 CD1 LEU A 78 73.117 -3.095 -3.946 1.00 1.70 C ATOM 1177 CD2 LEU A 78 71.992 -4.047 -1.929 1.00 0.70 C ATOM 0 H LEU A 78 71.167 0.137 -2.336 1.00 0.46 H new ATOM 0 HA LEU A 78 71.076 -2.155 -0.575 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.884 -0.777 -2.577 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.654 -1.935 -1.511 1.00 0.56 H new ATOM 0 HG LEU A 78 71.179 -2.515 -3.208 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.725 -3.913 -4.551 1.00 1.70 H new ATOM 0 HD12 LEU A 78 73.229 -2.206 -4.567 1.00 1.70 H new ATOM 0 HD13 LEU A 78 74.088 -3.378 -3.538 1.00 1.70 H new ATOM 0 HD21 LEU A 78 71.600 -4.865 -2.533 1.00 0.70 H new ATOM 0 HD22 LEU A 78 72.962 -4.330 -1.520 1.00 0.70 H new ATOM 0 HD23 LEU A 78 71.302 -3.836 -1.112 1.00 0.70 H new ATOM 1189 N VAL A 79 73.068 0.281 0.379 1.00 0.46 N ATOM 1190 CA VAL A 79 73.802 0.765 1.583 1.00 0.51 C ATOM 1191 C VAL A 79 72.814 1.119 2.698 1.00 0.53 C ATOM 1192 O VAL A 79 72.984 0.731 3.836 1.00 0.64 O ATOM 1193 CB VAL A 79 74.552 2.011 1.114 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.345 2.602 2.281 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.514 1.631 -0.014 1.00 0.62 C ATOM 0 H VAL A 79 73.112 0.896 -0.433 1.00 0.46 H new ATOM 0 HA VAL A 79 74.478 0.011 1.987 1.00 0.51 H new ATOM 0 HB VAL A 79 73.837 2.749 0.751 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.879 3.491 1.945 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.661 2.872 3.086 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.060 1.865 2.645 1.00 0.67 H new ATOM 0 HG21 VAL A 79 76.050 2.519 -0.350 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.228 0.892 0.350 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.950 1.211 -0.847 1.00 0.62 H new ATOM 1205 N MET A 80 71.783 1.851 2.379 1.00 0.52 N ATOM 1206 CA MET A 80 70.785 2.226 3.421 1.00 0.60 C ATOM 1207 C MET A 80 70.230 0.970 4.097 1.00 0.62 C ATOM 1208 O MET A 80 69.751 1.013 5.212 1.00 0.71 O ATOM 1209 CB MET A 80 69.679 2.961 2.662 1.00 0.66 C ATOM 1210 CG MET A 80 69.676 4.436 3.064 1.00 1.11 C ATOM 1211 SD MET A 80 68.022 4.904 3.629 1.00 1.23 S ATOM 1212 CE MET A 80 67.440 5.604 2.065 1.00 0.86 C ATOM 0 H MET A 80 71.588 2.206 1.443 1.00 0.52 H new ATOM 0 HA MET A 80 71.219 2.843 4.207 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.836 2.867 1.588 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.711 2.511 2.883 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.405 4.610 3.856 1.00 1.11 H new ATOM 0 HG3 MET A 80 69.971 5.055 2.217 1.00 1.11 H new ATOM 0 HE1 MET A 80 66.356 5.717 2.098 1.00 0.86 H new ATOM 0 HE2 MET A 80 67.902 6.579 1.909 1.00 0.86 H new ATOM 0 HE3 MET A 80 67.711 4.939 1.245 1.00 0.86 H new ATOM 1222 N MET A 81 70.292 -0.150 3.429 1.00 0.61 N ATOM 1223 CA MET A 81 69.766 -1.408 4.033 1.00 0.72 C ATOM 1224 C MET A 81 70.777 -1.981 5.031 1.00 0.79 C ATOM 1225 O MET A 81 70.471 -2.192 6.188 1.00 0.91 O ATOM 1226 CB MET A 81 69.576 -2.364 2.856 1.00 0.75 C ATOM 1227 CG MET A 81 68.082 -2.556 2.591 1.00 1.01 C ATOM 1228 SD MET A 81 67.377 -3.625 3.871 1.00 1.71 S ATOM 1229 CE MET A 81 65.654 -3.523 3.329 1.00 1.66 C ATOM 0 H MET A 81 70.684 -0.248 2.492 1.00 0.61 H new ATOM 0 HA MET A 81 68.838 -1.245 4.580 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.066 -1.966 1.967 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.044 -3.324 3.074 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.575 -1.591 2.588 1.00 1.01 H new ATOM 0 HG3 MET A 81 67.930 -2.999 1.607 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.013 -3.326 4.189 1.00 1.66 H new ATOM 0 HE2 MET A 81 65.548 -2.716 2.605 1.00 1.66 H new ATOM 0 HE3 MET A 81 65.362 -4.466 2.867 1.00 1.66 H new ATOM 1239 N VAL A 82 71.980 -2.233 4.592 1.00 0.78 N ATOM 1240 CA VAL A 82 73.008 -2.793 5.517 1.00 0.90 C ATOM 1241 C VAL A 82 73.125 -1.921 6.770 1.00 0.94 C ATOM 1242 O VAL A 82 73.630 -2.348 7.790 1.00 1.13 O ATOM 1243 CB VAL A 82 74.313 -2.765 4.721 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.111 -3.477 3.383 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.724 -1.314 4.467 1.00 1.38 C ATOM 0 H VAL A 82 72.296 -2.076 3.635 1.00 0.78 H new ATOM 0 HA VAL A 82 72.756 -3.799 5.853 1.00 0.90 H new ATOM 0 HB VAL A 82 75.094 -3.271 5.288 1.00 0.98 H new ATOM 0 HG11 VAL A 82 75.042 -3.457 2.816 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.818 -4.511 3.562 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.330 -2.971 2.816 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.654 -1.293 3.900 1.00 1.38 H new ATOM 0 HG22 VAL A 82 73.942 -0.808 3.900 1.00 1.38 H new ATOM 0 HG23 VAL A 82 74.869 -0.805 5.420 1.00 1.38 H new ATOM 1255 N ARG A 83 72.664 -0.703 6.702 1.00 0.84 N ATOM 1256 CA ARG A 83 72.750 0.196 7.888 1.00 0.93 C ATOM 1257 C ARG A 83 71.830 -0.307 9.005 1.00 0.93 C ATOM 1258 O ARG A 83 72.271 -0.613 10.094 1.00 1.23 O ATOM 1259 CB ARG A 83 72.283 1.562 7.385 1.00 0.95 C ATOM 1260 CG ARG A 83 73.065 2.665 8.100 1.00 1.53 C ATOM 1261 CD ARG A 83 73.306 3.828 7.136 1.00 1.50 C ATOM 1262 NE ARG A 83 73.376 5.038 8.002 1.00 1.75 N ATOM 1263 CZ ARG A 83 74.389 5.204 8.808 1.00 2.02 C ATOM 1264 NH1 ARG A 83 75.498 5.728 8.362 1.00 2.58 N ATOM 1265 NH2 ARG A 83 74.293 4.849 10.061 1.00 2.44 N ATOM 0 H ARG A 83 72.231 -0.290 5.876 1.00 0.84 H new ATOM 0 HA ARG A 83 73.758 0.236 8.302 1.00 0.93 H new ATOM 0 HB2 ARG A 83 72.433 1.635 6.308 1.00 0.95 H new ATOM 0 HB3 ARG A 83 71.215 1.683 7.567 1.00 0.95 H new ATOM 0 HG2 ARG A 83 72.511 3.011 8.972 1.00 1.53 H new ATOM 0 HG3 ARG A 83 74.017 2.275 8.461 1.00 1.53 H new ATOM 0 HD2 ARG A 83 74.230 3.690 6.575 1.00 1.50 H new ATOM 0 HD3 ARG A 83 72.500 3.910 6.407 1.00 1.50 H new ATOM 0 HE ARG A 83 72.633 5.736 7.965 1.00 1.75 H new ATOM 0 HH11 ARG A 83 75.573 6.008 7.384 1.00 2.58 H new ATOM 0 HH12 ARG A 83 76.290 5.858 8.992 1.00 2.58 H new ATOM 0 HH21 ARG A 83 73.426 4.442 10.411 1.00 2.44 H new ATOM 0 HH22 ARG A 83 75.085 4.979 10.690 1.00 2.44 H new ATOM 1279 N CYS A 84 70.554 -0.394 8.742 1.00 0.81 N ATOM 1280 CA CYS A 84 69.610 -0.877 9.791 1.00 0.94 C ATOM 1281 C CYS A 84 69.720 -2.396 9.950 1.00 1.01 C ATOM 1282 O CYS A 84 70.510 -2.891 10.729 1.00 1.67 O ATOM 1283 CB CYS A 84 68.221 -0.489 9.281 1.00 1.20 C ATOM 1284 SG CYS A 84 66.959 -1.205 10.363 1.00 1.56 S ATOM 0 H CYS A 84 70.125 -0.152 7.849 1.00 0.81 H new ATOM 0 HA CYS A 84 69.823 -0.443 10.768 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.121 0.596 9.256 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.084 -0.845 8.260 1.00 1.20 H new ATOM 0 HG CYS A 84 66.410 -2.225 9.773 1.00 1.56 H new ATOM 1290 N MET A 85 68.936 -3.139 9.218 1.00 1.25 N ATOM 1291 CA MET A 85 68.998 -4.625 9.331 1.00 1.43 C ATOM 1292 C MET A 85 68.813 -5.054 10.790 1.00 1.78 C ATOM 1293 O MET A 85 69.301 -6.085 11.210 1.00 2.66 O ATOM 1294 CB MET A 85 70.393 -5.003 8.834 1.00 1.49 C ATOM 1295 CG MET A 85 70.384 -5.098 7.307 1.00 1.71 C ATOM 1296 SD MET A 85 70.356 -6.838 6.809 1.00 1.93 S ATOM 1297 CE MET A 85 70.422 -6.563 5.021 1.00 1.59 C ATOM 0 H MET A 85 68.256 -2.782 8.547 1.00 1.25 H new ATOM 0 HA MET A 85 68.213 -5.115 8.755 1.00 1.43 H new ATOM 0 HB2 MET A 85 71.120 -4.258 9.158 1.00 1.49 H new ATOM 0 HB3 MET A 85 70.699 -5.956 9.266 1.00 1.49 H new ATOM 0 HG2 MET A 85 69.513 -4.580 6.905 1.00 1.71 H new ATOM 0 HG3 MET A 85 71.265 -4.606 6.896 1.00 1.71 H new ATOM 0 HE1 MET A 85 70.415 -7.523 4.505 1.00 1.59 H new ATOM 0 HE2 MET A 85 69.557 -5.977 4.711 1.00 1.59 H new ATOM 0 HE3 MET A 85 71.335 -6.023 4.769 1.00 1.59 H new