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 60 MET CE :methyl 179:sc= -3.04! (180deg=-2.92!) USER MOD Set 1.2: A 84 CYS SG : rot 95:sc= 0.869 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.609 USER MOD Set 2.2: A 16 GLN : amide:sc= 0 X(o=-0.61,f=-0.61) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,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) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 38:sc= -2.28! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= -0.0475 (180deg=-0.894) USER MOD Single : A 45 MET CE :methyl -152:sc= -2.88! (180deg=-5.94!) USER MOD Single : A 47 MET CE :methyl -157:sc=-0.00443 (180deg=-0.337) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 51 ASN : amide:sc= -1.87 K(o=-1.9,f=-8.9!) USER MOD Single : A 53 THR OG1 : rot -130:sc= -2.04! USER MOD Single : A 58 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.3) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 35:sc= 0.156 USER MOD Single : A 80 MET CE :methyl -163:sc= -5.23! (180deg=-6.05!) USER MOD Single : A 81 MET CE :methyl 160:sc= -4.65! (180deg=-5.17!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.477 1.955 3.522 1.00 0.90 N ATOM 45 CA ILE A 4 82.938 0.934 4.464 1.00 0.89 C ATOM 46 C ILE A 4 81.538 0.496 4.025 1.00 0.82 C ATOM 47 O ILE A 4 81.084 -0.583 4.352 1.00 0.85 O ATOM 48 CB ILE A 4 82.879 1.641 5.819 1.00 0.85 C ATOM 49 CG1 ILE A 4 81.734 2.657 5.813 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.201 2.366 6.075 1.00 0.75 C ATOM 51 CD1 ILE A 4 81.796 3.504 7.085 1.00 1.74 C ATOM 0 HA ILE A 4 83.554 0.036 4.498 1.00 0.89 H new ATOM 0 HB ILE A 4 82.710 0.906 6.606 1.00 0.85 H new ATOM 0 HG12 ILE A 4 81.806 3.297 4.934 1.00 1.02 H new ATOM 0 HG13 ILE A 4 80.776 2.141 5.754 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.159 2.870 7.041 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.017 1.644 6.078 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.371 3.102 5.289 1.00 0.75 H new ATOM 0 HD11 ILE A 4 80.981 4.227 7.081 1.00 1.74 H new ATOM 0 HD12 ILE A 4 81.703 2.857 7.958 1.00 1.74 H new ATOM 0 HD13 ILE A 4 82.749 4.032 7.125 1.00 1.74 H new ATOM 63 N TYR A 5 80.851 1.325 3.287 1.00 0.78 N ATOM 64 CA TYR A 5 79.481 0.957 2.829 1.00 0.78 C ATOM 65 C TYR A 5 79.557 0.055 1.595 1.00 0.92 C ATOM 66 O TYR A 5 78.744 -0.829 1.410 1.00 0.99 O ATOM 67 CB TYR A 5 78.810 2.285 2.484 1.00 0.78 C ATOM 68 CG TYR A 5 78.818 3.182 3.698 1.00 0.92 C ATOM 69 CD1 TYR A 5 77.968 2.906 4.777 1.00 1.31 C ATOM 70 CD2 TYR A 5 79.675 4.287 3.746 1.00 1.77 C ATOM 71 CE1 TYR A 5 77.977 3.737 5.903 1.00 1.36 C ATOM 72 CE2 TYR A 5 79.683 5.118 4.873 1.00 2.00 C ATOM 73 CZ TYR A 5 78.834 4.843 5.952 1.00 1.35 C ATOM 74 OH TYR A 5 78.841 5.661 7.063 1.00 1.60 O ATOM 0 H TYR A 5 81.179 2.241 2.981 1.00 0.78 H new ATOM 0 HA TYR A 5 78.927 0.405 3.588 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.335 2.767 1.659 1.00 0.78 H new ATOM 0 HB3 TYR A 5 77.786 2.112 2.153 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.307 2.053 4.740 1.00 1.31 H new ATOM 0 HD2 TYR A 5 80.330 4.499 2.914 1.00 1.77 H new ATOM 0 HE1 TYR A 5 77.322 3.525 6.735 1.00 1.36 H new ATOM 0 HE2 TYR A 5 80.344 5.971 4.910 1.00 2.00 H new ATOM 0 HH TYR A 5 79.494 6.381 6.935 1.00 1.60 H new ATOM 84 N LYS A 6 80.524 0.270 0.747 1.00 1.02 N ATOM 85 CA LYS A 6 80.647 -0.579 -0.472 1.00 1.19 C ATOM 86 C LYS A 6 80.791 -2.050 -0.075 1.00 1.15 C ATOM 87 O LYS A 6 80.143 -2.918 -0.625 1.00 1.19 O ATOM 88 CB LYS A 6 81.910 -0.084 -1.176 1.00 1.38 C ATOM 89 CG LYS A 6 81.561 0.362 -2.597 1.00 1.86 C ATOM 90 CD LYS A 6 81.507 1.891 -2.655 1.00 1.94 C ATOM 91 CE LYS A 6 82.698 2.413 -3.463 1.00 2.16 C ATOM 92 NZ LYS A 6 82.776 3.864 -3.141 1.00 2.91 N ATOM 0 H LYS A 6 81.234 0.996 0.845 1.00 1.02 H new ATOM 0 HA LYS A 6 79.771 -0.508 -1.117 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.347 0.745 -0.620 1.00 1.38 H new ATOM 0 HB3 LYS A 6 82.657 -0.877 -1.206 1.00 1.38 H new ATOM 0 HG2 LYS A 6 82.305 -0.013 -3.300 1.00 1.86 H new ATOM 0 HG3 LYS A 6 80.600 -0.058 -2.895 1.00 1.86 H new ATOM 0 HD2 LYS A 6 80.573 2.215 -3.113 1.00 1.94 H new ATOM 0 HD3 LYS A 6 81.528 2.305 -1.647 1.00 1.94 H new ATOM 0 HE2 LYS A 6 83.618 1.898 -3.187 1.00 2.16 H new ATOM 0 HE3 LYS A 6 82.551 2.253 -4.531 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 83.570 4.292 -3.658 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 81.889 4.330 -3.421 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 82.923 3.985 -2.119 1.00 2.91 H new ATOM 106 N ALA A 7 81.637 -2.336 0.877 1.00 1.13 N ATOM 107 CA ALA A 7 81.820 -3.751 1.310 1.00 1.14 C ATOM 108 C ALA A 7 80.462 -4.390 1.611 1.00 1.06 C ATOM 109 O ALA A 7 80.308 -5.594 1.566 1.00 1.10 O ATOM 110 CB ALA A 7 82.668 -3.670 2.580 1.00 1.20 C ATOM 0 H ALA A 7 82.209 -1.652 1.373 1.00 1.13 H new ATOM 0 HA ALA A 7 82.295 -4.361 0.541 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.848 -4.675 2.962 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.621 -3.193 2.351 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.141 -3.084 3.333 1.00 1.20 H new ATOM 116 N ALA A 8 79.476 -3.592 1.919 1.00 0.99 N ATOM 117 CA ALA A 8 78.129 -4.154 2.221 1.00 0.95 C ATOM 118 C ALA A 8 77.593 -4.916 1.007 1.00 0.95 C ATOM 119 O ALA A 8 77.254 -6.080 1.093 1.00 1.02 O ATOM 120 CB ALA A 8 77.252 -2.941 2.526 1.00 0.91 C ATOM 0 H ALA A 8 79.545 -2.576 1.975 1.00 0.99 H new ATOM 0 HA ALA A 8 78.151 -4.858 3.053 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.240 -3.273 2.759 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.662 -2.401 3.379 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.227 -2.283 1.658 1.00 0.91 H new ATOM 126 N VAL A 9 77.513 -4.271 -0.125 1.00 0.97 N ATOM 127 CA VAL A 9 77.001 -4.962 -1.343 1.00 1.07 C ATOM 128 C VAL A 9 77.755 -6.278 -1.553 1.00 1.16 C ATOM 129 O VAL A 9 77.174 -7.292 -1.886 1.00 1.18 O ATOM 130 CB VAL A 9 77.274 -3.997 -2.496 1.00 1.21 C ATOM 131 CG1 VAL A 9 77.049 -4.714 -3.827 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.325 -2.800 -2.395 1.00 1.49 C ATOM 0 H VAL A 9 77.780 -3.296 -0.259 1.00 0.97 H new ATOM 0 HA VAL A 9 75.942 -5.208 -1.265 1.00 1.07 H new ATOM 0 HB VAL A 9 78.306 -3.649 -2.441 1.00 1.21 H new ATOM 0 HG11 VAL A 9 77.244 -4.025 -4.649 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.725 -5.566 -3.900 1.00 1.89 H new ATOM 0 HG13 VAL A 9 76.018 -5.063 -3.883 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.519 -2.111 -3.217 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.293 -3.148 -2.449 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.486 -2.287 -1.447 1.00 1.49 H new ATOM 142 N GLU A 10 79.045 -6.268 -1.362 1.00 1.28 N ATOM 143 CA GLU A 10 79.837 -7.518 -1.550 1.00 1.44 C ATOM 144 C GLU A 10 79.322 -8.617 -0.618 1.00 1.41 C ATOM 145 O GLU A 10 79.140 -9.749 -1.020 1.00 1.54 O ATOM 146 CB GLU A 10 81.273 -7.135 -1.186 1.00 1.68 C ATOM 147 CG GLU A 10 82.146 -7.175 -2.442 1.00 2.16 C ATOM 148 CD GLU A 10 81.588 -6.204 -3.483 1.00 2.64 C ATOM 149 OE1 GLU A 10 80.520 -6.477 -4.007 1.00 3.13 O ATOM 150 OE2 GLU A 10 82.236 -5.203 -3.739 1.00 3.13 O ATOM 0 H GLU A 10 79.586 -5.449 -1.084 1.00 1.28 H new ATOM 0 HA GLU A 10 79.763 -7.905 -2.566 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.294 -6.138 -0.747 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.665 -7.822 -0.436 1.00 1.68 H new ATOM 0 HG2 GLU A 10 83.173 -6.907 -2.193 1.00 2.16 H new ATOM 0 HG3 GLU A 10 82.170 -8.186 -2.849 1.00 2.16 H new ATOM 157 N GLN A 11 79.085 -8.293 0.624 1.00 1.37 N ATOM 158 CA GLN A 11 78.581 -9.323 1.578 1.00 1.43 C ATOM 159 C GLN A 11 77.312 -9.976 1.026 1.00 1.24 C ATOM 160 O GLN A 11 77.007 -11.114 1.325 1.00 1.31 O ATOM 161 CB GLN A 11 78.276 -8.559 2.867 1.00 1.58 C ATOM 162 CG GLN A 11 79.217 -9.033 3.976 1.00 1.88 C ATOM 163 CD GLN A 11 78.724 -8.509 5.325 1.00 2.09 C ATOM 164 OE1 GLN A 11 77.955 -9.163 6.001 1.00 2.64 O ATOM 165 NE2 GLN A 11 79.137 -7.346 5.750 1.00 2.48 N ATOM 0 H GLN A 11 79.218 -7.362 1.019 1.00 1.37 H new ATOM 0 HA GLN A 11 79.304 -10.122 1.743 1.00 1.43 H new ATOM 0 HB2 GLN A 11 78.398 -7.488 2.705 1.00 1.58 H new ATOM 0 HB3 GLN A 11 77.239 -8.721 3.161 1.00 1.58 H new ATOM 0 HG2 GLN A 11 79.259 -10.122 3.991 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.230 -8.678 3.784 1.00 1.88 H new ATOM 0 HE21 GLN A 11 79.783 -6.796 5.184 1.00 2.48 H new ATOM 0 HE22 GLN A 11 78.814 -6.987 6.649 1.00 2.48 H new ATOM 174 N LEU A 12 76.572 -9.266 0.218 1.00 1.24 N ATOM 175 CA LEU A 12 75.324 -9.848 -0.353 1.00 1.13 C ATOM 176 C LEU A 12 75.663 -10.767 -1.530 1.00 1.02 C ATOM 177 O LEU A 12 76.309 -10.366 -2.477 1.00 1.28 O ATOM 178 CB LEU A 12 74.507 -8.647 -0.830 1.00 1.12 C ATOM 179 CG LEU A 12 74.235 -7.711 0.349 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.694 -6.378 -0.171 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.201 -8.351 1.279 1.00 1.49 C ATOM 0 H LEU A 12 76.777 -8.310 -0.071 1.00 1.24 H new ATOM 0 HA LEU A 12 74.777 -10.448 0.374 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.047 -8.115 -1.613 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.566 -8.984 -1.265 1.00 1.12 H new ATOM 0 HG LEU A 12 75.162 -7.538 0.897 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.500 -5.711 0.669 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.428 -5.921 -0.835 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.767 -6.550 -0.719 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.006 -7.685 2.120 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.275 -8.523 0.730 1.00 1.49 H new ATOM 0 HD23 LEU A 12 73.584 -9.301 1.650 1.00 1.49 H new ATOM 193 N THR A 13 75.230 -11.997 -1.478 1.00 0.93 N ATOM 194 CA THR A 13 75.529 -12.939 -2.594 1.00 0.93 C ATOM 195 C THR A 13 74.535 -12.732 -3.741 1.00 0.88 C ATOM 196 O THR A 13 73.464 -12.192 -3.556 1.00 0.86 O ATOM 197 CB THR A 13 75.368 -14.334 -1.988 1.00 1.03 C ATOM 198 OG1 THR A 13 74.101 -14.429 -1.353 1.00 1.13 O ATOM 199 CG2 THR A 13 76.475 -14.577 -0.962 1.00 1.20 C ATOM 0 H THR A 13 74.683 -12.390 -0.712 1.00 0.93 H new ATOM 0 HA THR A 13 76.526 -12.788 -3.008 1.00 0.93 H new ATOM 0 HB THR A 13 75.436 -15.083 -2.776 1.00 1.03 H new ATOM 0 HG1 THR A 13 73.995 -15.323 -0.966 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.359 -15.571 -0.531 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.447 -14.504 -1.451 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.409 -13.829 -0.172 1.00 1.20 H new ATOM 207 N GLU A 14 74.884 -13.159 -4.923 1.00 0.88 N ATOM 208 CA GLU A 14 73.959 -12.987 -6.081 1.00 0.87 C ATOM 209 C GLU A 14 72.551 -13.458 -5.709 1.00 0.82 C ATOM 210 O GLU A 14 71.568 -12.810 -6.010 1.00 0.79 O ATOM 211 CB GLU A 14 74.543 -13.866 -7.187 1.00 0.99 C ATOM 212 CG GLU A 14 75.734 -13.154 -7.832 1.00 1.98 C ATOM 213 CD GLU A 14 77.006 -13.968 -7.591 1.00 2.36 C ATOM 214 OE1 GLU A 14 77.521 -13.914 -6.487 1.00 3.17 O ATOM 215 OE2 GLU A 14 77.444 -14.632 -8.516 1.00 2.36 O ATOM 0 H GLU A 14 75.768 -13.619 -5.138 1.00 0.88 H new ATOM 0 HA GLU A 14 73.873 -11.945 -6.390 1.00 0.87 H new ATOM 0 HB2 GLU A 14 74.859 -14.825 -6.775 1.00 0.99 H new ATOM 0 HB3 GLU A 14 73.782 -14.077 -7.938 1.00 0.99 H new ATOM 0 HG2 GLU A 14 75.564 -13.034 -8.902 1.00 1.98 H new ATOM 0 HG3 GLU A 14 75.844 -12.154 -7.412 1.00 1.98 H new ATOM 222 N GLU A 15 72.446 -14.584 -5.057 1.00 0.85 N ATOM 223 CA GLU A 15 71.101 -15.100 -4.667 1.00 0.84 C ATOM 224 C GLU A 15 70.299 -14.005 -3.957 1.00 0.76 C ATOM 225 O GLU A 15 69.135 -13.795 -4.237 1.00 0.70 O ATOM 226 CB GLU A 15 71.385 -16.260 -3.713 1.00 0.92 C ATOM 227 CG GLU A 15 70.368 -17.378 -3.952 1.00 1.49 C ATOM 228 CD GLU A 15 69.038 -17.009 -3.292 1.00 1.88 C ATOM 229 OE1 GLU A 15 68.969 -17.063 -2.075 1.00 2.62 O ATOM 230 OE2 GLU A 15 68.113 -16.679 -4.014 1.00 2.07 O ATOM 0 H GLU A 15 73.233 -15.170 -4.777 1.00 0.85 H new ATOM 0 HA GLU A 15 70.513 -15.415 -5.529 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.397 -16.634 -3.870 1.00 0.92 H new ATOM 0 HB3 GLU A 15 71.329 -15.917 -2.680 1.00 0.92 H new ATOM 0 HG2 GLU A 15 70.225 -17.531 -5.022 1.00 1.49 H new ATOM 0 HG3 GLU A 15 70.741 -18.317 -3.543 1.00 1.49 H new ATOM 237 N GLN A 16 70.910 -13.306 -3.041 1.00 0.79 N ATOM 238 CA GLN A 16 70.180 -12.229 -2.314 1.00 0.74 C ATOM 239 C GLN A 16 70.063 -10.980 -3.194 1.00 0.68 C ATOM 240 O GLN A 16 69.048 -10.311 -3.205 1.00 0.67 O ATOM 241 CB GLN A 16 71.033 -11.937 -1.079 1.00 0.79 C ATOM 242 CG GLN A 16 71.194 -13.216 -0.255 1.00 0.88 C ATOM 243 CD GLN A 16 71.538 -12.852 1.191 1.00 1.70 C ATOM 244 OE1 GLN A 16 72.695 -12.726 1.540 1.00 2.53 O ATOM 245 NE2 GLN A 16 70.574 -12.677 2.052 1.00 2.20 N ATOM 0 H GLN A 16 71.883 -13.434 -2.764 1.00 0.79 H new ATOM 0 HA GLN A 16 69.165 -12.525 -2.048 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.011 -11.560 -1.380 1.00 0.79 H new ATOM 0 HB3 GLN A 16 70.564 -11.160 -0.476 1.00 0.79 H new ATOM 0 HG2 GLN A 16 70.273 -13.799 -0.285 1.00 0.88 H new ATOM 0 HG3 GLN A 16 71.980 -13.839 -0.681 1.00 0.88 H new ATOM 0 HE21 GLN A 16 69.603 -12.783 1.759 1.00 2.20 H new ATOM 0 HE22 GLN A 16 70.791 -12.434 3.019 1.00 2.20 H new ATOM 254 N LYS A 17 71.093 -10.661 -3.928 1.00 0.69 N ATOM 255 CA LYS A 17 71.039 -9.455 -4.803 1.00 0.68 C ATOM 256 C LYS A 17 69.846 -9.542 -5.758 1.00 0.62 C ATOM 257 O LYS A 17 69.270 -8.543 -6.141 1.00 0.57 O ATOM 258 CB LYS A 17 72.352 -9.478 -5.587 1.00 0.79 C ATOM 259 CG LYS A 17 72.921 -8.060 -5.673 1.00 1.01 C ATOM 260 CD LYS A 17 74.061 -8.029 -6.692 1.00 1.53 C ATOM 261 CE LYS A 17 75.403 -8.028 -5.957 1.00 1.70 C ATOM 262 NZ LYS A 17 76.035 -6.728 -6.315 1.00 2.33 N ATOM 0 H LYS A 17 71.969 -11.182 -3.960 1.00 0.69 H new ATOM 0 HA LYS A 17 70.919 -8.536 -4.229 1.00 0.68 H new ATOM 0 HB2 LYS A 17 73.068 -10.139 -5.099 1.00 0.79 H new ATOM 0 HB3 LYS A 17 72.183 -9.875 -6.588 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.138 -7.360 -5.965 1.00 1.01 H new ATOM 0 HG3 LYS A 17 73.284 -7.742 -4.696 1.00 1.01 H new ATOM 0 HD2 LYS A 17 73.997 -8.894 -7.352 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.978 -7.142 -7.320 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.263 -8.116 -4.880 1.00 1.70 H new ATOM 0 HE3 LYS A 17 76.024 -8.868 -6.268 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 76.961 -6.652 -5.848 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 76.161 -6.676 -7.346 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 75.424 -5.947 -6.001 1.00 2.33 H new ATOM 276 N ASN A 18 69.469 -10.730 -6.146 1.00 0.65 N ATOM 277 CA ASN A 18 68.313 -10.879 -7.077 1.00 0.64 C ATOM 278 C ASN A 18 66.997 -10.633 -6.333 1.00 0.58 C ATOM 279 O ASN A 18 66.039 -10.138 -6.894 1.00 0.56 O ATOM 280 CB ASN A 18 68.387 -12.324 -7.572 1.00 0.73 C ATOM 281 CG ASN A 18 69.301 -12.399 -8.796 1.00 0.91 C ATOM 282 OD1 ASN A 18 68.875 -12.135 -9.903 1.00 1.55 O ATOM 283 ND2 ASN A 18 70.549 -12.750 -8.644 1.00 1.35 N ATOM 0 H ASN A 18 69.911 -11.603 -5.859 1.00 0.65 H new ATOM 0 HA ASN A 18 68.351 -10.164 -7.899 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.767 -12.971 -6.781 1.00 0.73 H new ATOM 0 HB3 ASN A 18 67.390 -12.684 -7.827 1.00 0.73 H new ATOM 0 HD21 ASN A 18 71.166 -12.803 -9.454 1.00 1.35 H new ATOM 0 HD22 ASN A 18 70.907 -12.972 -7.715 1.00 1.35 H new ATOM 290 N GLU A 19 66.941 -10.977 -5.076 1.00 0.62 N ATOM 291 CA GLU A 19 65.685 -10.764 -4.301 1.00 0.64 C ATOM 292 C GLU A 19 65.350 -9.270 -4.231 1.00 0.58 C ATOM 293 O GLU A 19 64.214 -8.872 -4.393 1.00 0.61 O ATOM 294 CB GLU A 19 65.982 -11.312 -2.904 1.00 0.75 C ATOM 295 CG GLU A 19 64.751 -11.130 -2.013 1.00 1.47 C ATOM 296 CD GLU A 19 64.679 -12.274 -1.000 1.00 2.01 C ATOM 297 OE1 GLU A 19 65.653 -13.001 -0.885 1.00 2.64 O ATOM 298 OE2 GLU A 19 63.651 -12.405 -0.355 1.00 2.50 O ATOM 0 H GLU A 19 67.709 -11.396 -4.552 1.00 0.62 H new ATOM 0 HA GLU A 19 64.830 -11.259 -4.760 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.248 -12.367 -2.964 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.837 -10.792 -2.472 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.804 -10.173 -1.493 1.00 1.47 H new ATOM 0 HG3 GLU A 19 63.847 -11.113 -2.622 1.00 1.47 H new ATOM 305 N PHE A 20 66.330 -8.444 -3.989 1.00 0.58 N ATOM 306 CA PHE A 20 66.064 -6.978 -3.905 1.00 0.59 C ATOM 307 C PHE A 20 65.712 -6.423 -5.288 1.00 0.53 C ATOM 308 O PHE A 20 64.902 -5.526 -5.419 1.00 0.54 O ATOM 309 CB PHE A 20 67.370 -6.368 -3.397 1.00 0.67 C ATOM 310 CG PHE A 20 67.320 -6.254 -1.892 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.168 -5.763 -1.266 1.00 1.85 C ATOM 312 CD2 PHE A 20 68.425 -6.638 -1.124 1.00 1.87 C ATOM 313 CE1 PHE A 20 66.122 -5.657 0.130 1.00 2.52 C ATOM 314 CE2 PHE A 20 68.379 -6.533 0.271 1.00 2.57 C ATOM 315 CZ PHE A 20 67.227 -6.042 0.898 1.00 2.67 C ATOM 0 H PHE A 20 67.302 -8.719 -3.846 1.00 0.58 H new ATOM 0 HA PHE A 20 65.224 -6.747 -3.249 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.215 -6.988 -3.698 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.522 -5.385 -3.842 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.315 -5.466 -1.859 1.00 1.85 H new ATOM 0 HD2 PHE A 20 69.314 -7.016 -1.608 1.00 1.87 H new ATOM 0 HE1 PHE A 20 65.234 -5.278 0.614 1.00 2.52 H new ATOM 0 HE2 PHE A 20 69.232 -6.830 0.864 1.00 2.57 H new ATOM 0 HZ PHE A 20 67.191 -5.960 1.974 1.00 2.67 H new ATOM 325 N LYS A 21 66.314 -6.946 -6.321 1.00 0.53 N ATOM 326 CA LYS A 21 66.011 -6.446 -7.692 1.00 0.53 C ATOM 327 C LYS A 21 64.521 -6.622 -8.003 1.00 0.50 C ATOM 328 O LYS A 21 63.873 -5.729 -8.512 1.00 0.63 O ATOM 329 CB LYS A 21 66.859 -7.309 -8.625 1.00 0.61 C ATOM 330 CG LYS A 21 66.999 -6.613 -9.981 1.00 0.68 C ATOM 331 CD LYS A 21 68.153 -7.244 -10.763 1.00 1.26 C ATOM 332 CE LYS A 21 67.678 -7.605 -12.172 1.00 1.85 C ATOM 333 NZ LYS A 21 68.046 -6.433 -13.014 1.00 1.94 N ATOM 0 H LYS A 21 67.002 -7.697 -6.275 1.00 0.53 H new ATOM 0 HA LYS A 21 66.235 -5.385 -7.803 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.843 -7.477 -8.188 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.396 -8.287 -8.753 1.00 0.61 H new ATOM 0 HG2 LYS A 21 66.071 -6.704 -10.546 1.00 0.68 H new ATOM 0 HG3 LYS A 21 67.182 -5.548 -9.838 1.00 0.68 H new ATOM 0 HD2 LYS A 21 68.992 -6.550 -10.817 1.00 1.26 H new ATOM 0 HD3 LYS A 21 68.510 -8.136 -10.248 1.00 1.26 H new ATOM 0 HE2 LYS A 21 68.160 -8.515 -12.530 1.00 1.85 H new ATOM 0 HE3 LYS A 21 66.603 -7.784 -12.193 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 67.752 -6.605 -13.997 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 67.568 -5.583 -12.654 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 69.076 -6.291 -12.981 1.00 1.94 H new ATOM 347 N ALA A 22 63.975 -7.768 -7.703 1.00 0.51 N ATOM 348 CA ALA A 22 62.529 -8.002 -7.982 1.00 0.60 C ATOM 349 C ALA A 22 61.663 -7.213 -6.995 1.00 0.51 C ATOM 350 O ALA A 22 60.452 -7.201 -7.091 1.00 0.50 O ATOM 351 CB ALA A 22 62.327 -9.506 -7.789 1.00 0.76 C ATOM 0 H ALA A 22 64.467 -8.553 -7.277 1.00 0.51 H new ATOM 0 HA ALA A 22 62.244 -7.677 -8.983 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.284 -9.760 -7.977 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.964 -10.051 -8.485 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.589 -9.780 -6.767 1.00 0.76 H new ATOM 357 N ALA A 23 62.275 -6.557 -6.046 1.00 0.51 N ATOM 358 CA ALA A 23 61.483 -5.772 -5.055 1.00 0.47 C ATOM 359 C ALA A 23 61.755 -4.275 -5.227 1.00 0.43 C ATOM 360 O ALA A 23 60.851 -3.491 -5.439 1.00 0.46 O ATOM 361 CB ALA A 23 61.974 -6.251 -3.689 1.00 0.58 C ATOM 0 H ALA A 23 63.286 -6.530 -5.914 1.00 0.51 H new ATOM 0 HA ALA A 23 60.409 -5.916 -5.177 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.438 -5.719 -2.903 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.792 -7.321 -3.592 1.00 0.58 H new ATOM 0 HB3 ALA A 23 63.042 -6.054 -3.597 1.00 0.58 H new ATOM 367 N PHE A 24 62.993 -3.873 -5.137 1.00 0.54 N ATOM 368 CA PHE A 24 63.321 -2.426 -5.294 1.00 0.56 C ATOM 369 C PHE A 24 62.931 -1.944 -6.694 1.00 0.56 C ATOM 370 O PHE A 24 62.332 -0.899 -6.855 1.00 0.60 O ATOM 371 CB PHE A 24 64.837 -2.341 -5.101 1.00 0.66 C ATOM 372 CG PHE A 24 65.334 -1.001 -5.587 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.666 -0.825 -6.936 1.00 1.45 C ATOM 374 CD2 PHE A 24 65.463 0.066 -4.690 1.00 1.24 C ATOM 375 CE1 PHE A 24 66.128 0.417 -7.387 1.00 1.61 C ATOM 376 CE2 PHE A 24 65.925 1.309 -5.142 1.00 1.24 C ATOM 377 CZ PHE A 24 66.257 1.484 -6.490 1.00 0.94 C ATOM 0 H PHE A 24 63.792 -4.483 -4.962 1.00 0.54 H new ATOM 0 HA PHE A 24 62.783 -1.801 -4.582 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.088 -2.474 -4.049 1.00 0.66 H new ATOM 0 HB3 PHE A 24 65.329 -3.144 -5.650 1.00 0.66 H new ATOM 0 HD1 PHE A 24 65.566 -1.648 -7.629 1.00 1.45 H new ATOM 0 HD2 PHE A 24 65.206 -0.069 -3.650 1.00 1.24 H new ATOM 0 HE1 PHE A 24 66.385 0.552 -8.427 1.00 1.61 H new ATOM 0 HE2 PHE A 24 66.025 2.132 -4.450 1.00 1.24 H new ATOM 0 HZ PHE A 24 66.613 2.442 -6.838 1.00 0.94 H new ATOM 387 N ASP A 25 63.266 -2.695 -7.706 1.00 0.58 N ATOM 388 CA ASP A 25 62.914 -2.278 -9.094 1.00 0.64 C ATOM 389 C ASP A 25 61.397 -2.125 -9.235 1.00 0.66 C ATOM 390 O ASP A 25 60.913 -1.414 -10.094 1.00 0.76 O ATOM 391 CB ASP A 25 63.425 -3.408 -9.989 1.00 0.68 C ATOM 392 CG ASP A 25 63.844 -2.836 -11.344 1.00 1.05 C ATOM 393 OD1 ASP A 25 64.931 -2.288 -11.423 1.00 1.58 O ATOM 394 OD2 ASP A 25 63.070 -2.955 -12.279 1.00 1.78 O ATOM 0 H ASP A 25 63.768 -3.580 -7.633 1.00 0.58 H new ATOM 0 HA ASP A 25 63.354 -1.317 -9.359 1.00 0.64 H new ATOM 0 HB2 ASP A 25 64.271 -3.907 -9.516 1.00 0.68 H new ATOM 0 HB3 ASP A 25 62.647 -4.159 -10.124 1.00 0.68 H new ATOM 399 N ILE A 26 60.643 -2.786 -8.400 1.00 0.61 N ATOM 400 CA ILE A 26 59.159 -2.679 -8.488 1.00 0.67 C ATOM 401 C ILE A 26 58.688 -1.337 -7.921 1.00 0.73 C ATOM 402 O ILE A 26 57.526 -0.991 -8.001 1.00 0.99 O ATOM 403 CB ILE A 26 58.634 -3.836 -7.645 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.808 -5.139 -8.426 1.00 0.66 C ATOM 405 CG2 ILE A 26 57.152 -3.614 -7.335 1.00 0.83 C ATOM 406 CD1 ILE A 26 58.098 -6.271 -7.690 1.00 0.84 C ATOM 0 H ILE A 26 60.991 -3.396 -7.660 1.00 0.61 H new ATOM 0 HA ILE A 26 58.799 -2.727 -9.516 1.00 0.67 H new ATOM 0 HB ILE A 26 59.189 -3.892 -6.709 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.399 -5.031 -9.430 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.867 -5.371 -8.537 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.778 -4.442 -6.732 1.00 0.83 H new ATOM 0 HG22 ILE A 26 57.031 -2.681 -6.784 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.589 -3.561 -8.267 1.00 0.83 H new ATOM 0 HD11 ILE A 26 58.221 -7.200 -8.246 1.00 0.84 H new ATOM 0 HD12 ILE A 26 58.528 -6.384 -6.695 1.00 0.84 H new ATOM 0 HD13 ILE A 26 57.037 -6.039 -7.603 1.00 0.84 H new ATOM 418 N PHE A 27 59.582 -0.577 -7.348 1.00 0.57 N ATOM 419 CA PHE A 27 59.186 0.743 -6.777 1.00 0.63 C ATOM 420 C PHE A 27 59.943 1.872 -7.480 1.00 0.59 C ATOM 421 O PHE A 27 60.168 2.925 -6.919 1.00 0.67 O ATOM 422 CB PHE A 27 59.578 0.671 -5.301 1.00 0.70 C ATOM 423 CG PHE A 27 58.624 -0.243 -4.569 1.00 0.67 C ATOM 424 CD1 PHE A 27 58.603 -1.611 -4.863 1.00 1.17 C ATOM 425 CD2 PHE A 27 57.762 0.279 -3.598 1.00 1.44 C ATOM 426 CE1 PHE A 27 57.718 -2.458 -4.184 1.00 1.20 C ATOM 427 CE2 PHE A 27 56.877 -0.568 -2.919 1.00 1.65 C ATOM 428 CZ PHE A 27 56.856 -1.938 -3.212 1.00 1.09 C ATOM 0 H PHE A 27 60.570 -0.813 -7.251 1.00 0.57 H new ATOM 0 HA PHE A 27 58.123 0.946 -6.906 1.00 0.63 H new ATOM 0 HB2 PHE A 27 60.599 0.302 -5.203 1.00 0.70 H new ATOM 0 HB3 PHE A 27 59.555 1.667 -4.859 1.00 0.70 H new ATOM 0 HD1 PHE A 27 59.268 -2.013 -5.613 1.00 1.17 H new ATOM 0 HD2 PHE A 27 57.779 1.335 -3.372 1.00 1.44 H new ATOM 0 HE1 PHE A 27 57.701 -3.514 -4.411 1.00 1.20 H new ATOM 0 HE2 PHE A 27 56.211 -0.165 -2.170 1.00 1.65 H new ATOM 0 HZ PHE A 27 56.175 -2.592 -2.688 1.00 1.09 H new ATOM 438 N VAL A 28 60.339 1.659 -8.705 1.00 0.58 N ATOM 439 CA VAL A 28 61.083 2.720 -9.444 1.00 0.59 C ATOM 440 C VAL A 28 60.171 3.382 -10.480 1.00 0.64 C ATOM 441 O VAL A 28 60.629 4.024 -11.404 1.00 0.73 O ATOM 442 CB VAL A 28 62.234 1.988 -10.133 1.00 0.60 C ATOM 443 CG1 VAL A 28 63.070 2.988 -10.934 1.00 1.41 C ATOM 444 CG2 VAL A 28 63.117 1.319 -9.076 1.00 1.37 C ATOM 0 H VAL A 28 60.180 0.797 -9.226 1.00 0.58 H new ATOM 0 HA VAL A 28 61.439 3.511 -8.784 1.00 0.59 H new ATOM 0 HB VAL A 28 61.831 1.231 -10.805 1.00 0.60 H new ATOM 0 HG11 VAL A 28 63.891 2.465 -11.425 1.00 1.41 H new ATOM 0 HG12 VAL A 28 62.443 3.466 -11.686 1.00 1.41 H new ATOM 0 HG13 VAL A 28 63.473 3.746 -10.262 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.939 0.796 -9.566 1.00 1.37 H new ATOM 0 HG22 VAL A 28 63.519 2.078 -8.404 1.00 1.37 H new ATOM 0 HG23 VAL A 28 62.523 0.606 -8.504 1.00 1.37 H new ATOM 454 N LEU A 29 58.883 3.229 -10.335 1.00 0.75 N ATOM 455 CA LEU A 29 57.944 3.849 -11.313 1.00 0.91 C ATOM 456 C LEU A 29 58.360 5.294 -11.603 1.00 1.10 C ATOM 457 O LEU A 29 58.061 5.839 -12.648 1.00 1.54 O ATOM 458 CB LEU A 29 56.578 3.811 -10.627 1.00 1.17 C ATOM 459 CG LEU A 29 56.645 4.579 -9.307 1.00 1.49 C ATOM 460 CD1 LEU A 29 55.760 5.823 -9.392 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.153 3.682 -8.169 1.00 1.73 C ATOM 0 H LEU A 29 58.440 2.702 -9.582 1.00 0.75 H new ATOM 0 HA LEU A 29 57.936 3.324 -12.268 1.00 0.91 H new ATOM 0 HB2 LEU A 29 55.821 4.250 -11.277 1.00 1.17 H new ATOM 0 HB3 LEU A 29 56.280 2.779 -10.444 1.00 1.17 H new ATOM 0 HG LEU A 29 57.675 4.879 -9.116 1.00 1.49 H new ATOM 0 HD11 LEU A 29 55.809 6.369 -8.450 1.00 2.09 H new ATOM 0 HD12 LEU A 29 56.110 6.464 -10.202 1.00 2.09 H new ATOM 0 HD13 LEU A 29 54.730 5.524 -9.585 1.00 2.09 H new ATOM 0 HD21 LEU A 29 56.201 4.229 -7.228 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.123 3.381 -8.362 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.784 2.796 -8.106 1.00 1.73 H new ATOM 473 N GLY A 30 59.049 5.919 -10.688 1.00 1.47 N ATOM 474 CA GLY A 30 59.485 7.326 -10.913 1.00 1.89 C ATOM 475 C GLY A 30 61.007 7.371 -11.060 1.00 1.94 C ATOM 476 O GLY A 30 61.661 6.350 -11.145 1.00 2.46 O ATOM 0 H GLY A 30 59.329 5.516 -9.794 1.00 1.47 H new ATOM 0 HA2 GLY A 30 59.010 7.726 -11.809 1.00 1.89 H new ATOM 0 HA3 GLY A 30 59.171 7.953 -10.079 1.00 1.89 H new ATOM 480 N ALA A 31 61.576 8.544 -11.091 1.00 1.89 N ATOM 481 CA ALA A 31 63.057 8.649 -11.231 1.00 2.14 C ATOM 482 C ALA A 31 63.542 7.750 -12.371 1.00 2.28 C ATOM 483 O ALA A 31 63.789 6.575 -12.185 1.00 2.46 O ATOM 484 CB ALA A 31 63.617 8.169 -9.894 1.00 1.97 C ATOM 0 H ALA A 31 61.081 9.434 -11.026 1.00 1.89 H new ATOM 0 HA ALA A 31 63.380 9.663 -11.465 1.00 2.14 H new ATOM 0 HB1 ALA A 31 64.706 8.216 -9.917 1.00 1.97 H new ATOM 0 HB2 ALA A 31 63.243 8.807 -9.093 1.00 1.97 H new ATOM 0 HB3 ALA A 31 63.302 7.141 -9.716 1.00 1.97 H new ATOM 490 N GLU A 32 63.682 8.292 -13.550 1.00 2.73 N ATOM 491 CA GLU A 32 64.151 7.465 -14.698 1.00 2.98 C ATOM 492 C GLU A 32 65.631 7.114 -14.527 1.00 2.33 C ATOM 493 O GLU A 32 66.454 7.425 -15.364 1.00 2.34 O ATOM 494 CB GLU A 32 63.947 8.348 -15.931 1.00 3.71 C ATOM 495 CG GLU A 32 63.021 7.638 -16.920 1.00 4.48 C ATOM 496 CD GLU A 32 63.332 8.110 -18.342 1.00 5.14 C ATOM 497 OE1 GLU A 32 63.399 9.310 -18.544 1.00 5.71 O ATOM 498 OE2 GLU A 32 63.499 7.262 -19.202 1.00 5.38 O ATOM 0 H GLU A 32 63.492 9.270 -13.768 1.00 2.73 H new ATOM 0 HA GLU A 32 63.609 6.523 -14.777 1.00 2.98 H new ATOM 0 HB2 GLU A 32 63.518 9.306 -15.638 1.00 3.71 H new ATOM 0 HB3 GLU A 32 64.907 8.560 -16.403 1.00 3.71 H new ATOM 0 HG2 GLU A 32 63.153 6.558 -16.847 1.00 4.48 H new ATOM 0 HG3 GLU A 32 61.980 7.849 -16.675 1.00 4.48 H new ATOM 505 N ASP A 33 65.976 6.468 -13.447 1.00 2.13 N ATOM 506 CA ASP A 33 67.403 6.097 -13.222 1.00 2.25 C ATOM 507 C ASP A 33 67.493 4.882 -12.295 1.00 1.67 C ATOM 508 O ASP A 33 68.445 4.721 -11.558 1.00 2.00 O ATOM 509 CB ASP A 33 68.032 7.324 -12.562 1.00 3.20 C ATOM 510 CG ASP A 33 69.454 7.518 -13.094 1.00 3.87 C ATOM 511 OD1 ASP A 33 70.110 6.523 -13.349 1.00 4.49 O ATOM 512 OD2 ASP A 33 69.861 8.660 -13.236 1.00 4.16 O ATOM 0 H ASP A 33 65.332 6.181 -12.710 1.00 2.13 H new ATOM 0 HA ASP A 33 67.911 5.828 -14.148 1.00 2.25 H new ATOM 0 HB2 ASP A 33 67.431 8.210 -12.769 1.00 3.20 H new ATOM 0 HB3 ASP A 33 68.051 7.198 -11.479 1.00 3.20 H new ATOM 517 N GLY A 34 66.508 4.026 -12.326 1.00 1.10 N ATOM 518 CA GLY A 34 66.539 2.824 -11.446 1.00 1.18 C ATOM 519 C GLY A 34 66.494 3.261 -9.981 1.00 0.92 C ATOM 520 O GLY A 34 67.107 2.658 -9.124 1.00 1.03 O ATOM 0 H GLY A 34 65.684 4.107 -12.922 1.00 1.10 H new ATOM 0 HA2 GLY A 34 65.692 2.175 -11.669 1.00 1.18 H new ATOM 0 HA3 GLY A 34 67.443 2.245 -11.636 1.00 1.18 H new ATOM 524 N CYS A 35 65.772 4.307 -9.690 1.00 0.78 N ATOM 525 CA CYS A 35 65.683 4.787 -8.281 1.00 0.68 C ATOM 526 C CYS A 35 64.222 4.803 -7.823 1.00 0.69 C ATOM 527 O CYS A 35 63.310 4.774 -8.625 1.00 0.89 O ATOM 528 CB CYS A 35 66.253 6.205 -8.309 1.00 0.78 C ATOM 529 SG CYS A 35 67.926 6.169 -9.002 1.00 1.27 S ATOM 0 H CYS A 35 65.239 4.852 -10.368 1.00 0.78 H new ATOM 0 HA CYS A 35 66.227 4.144 -7.589 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.614 6.854 -8.908 1.00 0.78 H new ATOM 0 HB3 CYS A 35 66.274 6.620 -7.301 1.00 0.78 H new ATOM 0 HG CYS A 35 67.976 5.304 -9.971 1.00 1.27 H new ATOM 535 N ILE A 36 63.991 4.849 -6.539 1.00 0.57 N ATOM 536 CA ILE A 36 62.588 4.865 -6.037 1.00 0.57 C ATOM 537 C ILE A 36 62.362 6.074 -5.124 1.00 0.50 C ATOM 538 O ILE A 36 63.275 6.817 -4.825 1.00 0.60 O ATOM 539 CB ILE A 36 62.436 3.564 -5.249 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.371 3.588 -4.038 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.796 2.380 -6.148 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.039 2.414 -3.115 1.00 0.75 C ATOM 0 H ILE A 36 64.712 4.876 -5.818 1.00 0.57 H new ATOM 0 HA ILE A 36 61.862 4.941 -6.847 1.00 0.57 H new ATOM 0 HB ILE A 36 61.405 3.463 -4.909 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.409 3.525 -4.365 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.263 4.530 -3.500 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.688 1.451 -5.587 1.00 0.72 H new ATOM 0 HG22 ILE A 36 62.130 2.363 -7.011 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.827 2.481 -6.487 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.705 2.430 -2.252 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.006 2.497 -2.778 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.170 1.477 -3.657 1.00 0.75 H new ATOM 554 N SER A 37 61.151 6.272 -4.680 1.00 0.54 N ATOM 555 CA SER A 37 60.865 7.430 -3.787 1.00 0.50 C ATOM 556 C SER A 37 61.086 7.035 -2.324 1.00 0.48 C ATOM 557 O SER A 37 60.647 5.993 -1.880 1.00 0.60 O ATOM 558 CB SER A 37 59.396 7.767 -4.035 1.00 0.55 C ATOM 559 OG SER A 37 59.214 9.174 -3.937 1.00 1.02 O ATOM 0 H SER A 37 60.348 5.682 -4.897 1.00 0.54 H new ATOM 0 HA SER A 37 61.517 8.280 -3.989 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.092 7.417 -5.022 1.00 0.55 H new ATOM 0 HB3 SER A 37 58.766 7.256 -3.307 1.00 0.55 H new ATOM 0 HG SER A 37 58.273 9.394 -4.097 1.00 1.02 H new ATOM 565 N THR A 38 61.766 7.857 -1.573 1.00 0.48 N ATOM 566 CA THR A 38 62.015 7.525 -0.140 1.00 0.53 C ATOM 567 C THR A 38 60.726 7.028 0.523 1.00 0.53 C ATOM 568 O THR A 38 60.692 5.969 1.116 1.00 0.59 O ATOM 569 CB THR A 38 62.472 8.838 0.496 1.00 0.64 C ATOM 570 OG1 THR A 38 61.399 9.768 0.483 1.00 0.62 O ATOM 571 CG2 THR A 38 63.652 9.408 -0.293 1.00 0.85 C ATOM 0 H THR A 38 62.160 8.743 -1.888 1.00 0.48 H new ATOM 0 HA THR A 38 62.756 6.734 -0.023 1.00 0.53 H new ATOM 0 HB THR A 38 62.782 8.654 1.525 1.00 0.64 H new ATOM 0 HG1 THR A 38 61.690 10.609 0.892 1.00 0.62 H new ATOM 0 HG21 THR A 38 63.976 10.344 0.162 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.476 8.695 -0.281 1.00 0.85 H new ATOM 0 HG23 THR A 38 63.346 9.592 -1.323 1.00 0.85 H new ATOM 579 N LYS A 39 59.669 7.786 0.427 1.00 0.60 N ATOM 580 CA LYS A 39 58.384 7.360 1.053 1.00 0.73 C ATOM 581 C LYS A 39 58.007 5.949 0.592 1.00 0.66 C ATOM 582 O LYS A 39 57.310 5.228 1.278 1.00 0.87 O ATOM 583 CB LYS A 39 57.351 8.375 0.566 1.00 0.90 C ATOM 584 CG LYS A 39 57.199 9.491 1.602 1.00 1.78 C ATOM 585 CD LYS A 39 55.954 10.320 1.280 1.00 2.12 C ATOM 586 CE LYS A 39 56.304 11.381 0.236 1.00 2.70 C ATOM 587 NZ LYS A 39 55.339 11.158 -0.877 1.00 2.96 N ATOM 0 H LYS A 39 59.639 8.683 -0.058 1.00 0.60 H new ATOM 0 HA LYS A 39 58.448 7.330 2.141 1.00 0.73 H new ATOM 0 HB2 LYS A 39 57.661 8.794 -0.391 1.00 0.90 H new ATOM 0 HB3 LYS A 39 56.392 7.883 0.403 1.00 0.90 H new ATOM 0 HG2 LYS A 39 57.117 9.065 2.602 1.00 1.78 H new ATOM 0 HG3 LYS A 39 58.084 10.128 1.599 1.00 1.78 H new ATOM 0 HD2 LYS A 39 55.161 9.674 0.905 1.00 2.12 H new ATOM 0 HD3 LYS A 39 55.577 10.796 2.185 1.00 2.12 H new ATOM 0 HE2 LYS A 39 56.208 12.386 0.647 1.00 2.70 H new ATOM 0 HE3 LYS A 39 57.333 11.274 -0.106 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 55.516 11.849 -1.634 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 55.459 10.196 -1.252 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 54.368 11.273 -0.523 1.00 2.96 H new ATOM 601 N GLU A 40 58.459 5.548 -0.564 1.00 0.52 N ATOM 602 CA GLU A 40 58.122 4.183 -1.060 1.00 0.56 C ATOM 603 C GLU A 40 59.031 3.142 -0.402 1.00 0.52 C ATOM 604 O GLU A 40 58.596 2.070 -0.033 1.00 0.59 O ATOM 605 CB GLU A 40 58.369 4.235 -2.568 1.00 0.71 C ATOM 606 CG GLU A 40 57.405 5.236 -3.210 1.00 1.06 C ATOM 607 CD GLU A 40 55.990 4.657 -3.209 1.00 1.41 C ATOM 608 OE1 GLU A 40 55.867 3.443 -3.156 1.00 1.60 O ATOM 609 OE2 GLU A 40 55.052 5.435 -3.261 1.00 2.23 O ATOM 0 H GLU A 40 59.046 6.104 -1.186 1.00 0.52 H new ATOM 0 HA GLU A 40 57.095 3.901 -0.826 1.00 0.56 H new ATOM 0 HB2 GLU A 40 59.400 4.527 -2.768 1.00 0.71 H new ATOM 0 HB3 GLU A 40 58.227 3.246 -3.005 1.00 0.71 H new ATOM 0 HG2 GLU A 40 57.424 6.178 -2.662 1.00 1.06 H new ATOM 0 HG3 GLU A 40 57.719 5.455 -4.231 1.00 1.06 H new ATOM 616 N LEU A 41 60.290 3.452 -0.251 1.00 0.51 N ATOM 617 CA LEU A 41 61.223 2.479 0.387 1.00 0.54 C ATOM 618 C LEU A 41 60.567 1.857 1.622 1.00 0.56 C ATOM 619 O LEU A 41 60.724 0.684 1.896 1.00 0.70 O ATOM 620 CB LEU A 41 62.444 3.307 0.786 1.00 0.62 C ATOM 621 CG LEU A 41 63.712 2.480 0.574 1.00 0.64 C ATOM 622 CD1 LEU A 41 64.917 3.235 1.137 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.569 1.138 1.297 1.00 1.40 C ATOM 0 H LEU A 41 60.712 4.334 -0.541 1.00 0.51 H new ATOM 0 HA LEU A 41 61.489 1.659 -0.280 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.488 4.219 0.191 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.365 3.611 1.830 1.00 0.62 H new ATOM 0 HG LEU A 41 63.859 2.308 -0.492 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.820 2.644 0.985 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.019 4.192 0.625 1.00 1.18 H new ATOM 0 HD13 LEU A 41 64.772 3.408 2.203 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.472 0.546 1.147 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.422 1.313 2.363 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.711 0.598 0.896 1.00 1.40 H new ATOM 635 N GLY A 42 59.829 2.634 2.367 1.00 0.57 N ATOM 636 CA GLY A 42 59.160 2.086 3.581 1.00 0.60 C ATOM 637 C GLY A 42 58.497 0.752 3.237 1.00 0.55 C ATOM 638 O GLY A 42 58.899 -0.292 3.708 1.00 0.57 O ATOM 0 H GLY A 42 59.660 3.624 2.188 1.00 0.57 H new ATOM 0 HA2 GLY A 42 59.889 1.947 4.380 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.414 2.791 3.948 1.00 0.60 H new ATOM 642 N LYS A 43 57.482 0.779 2.417 1.00 0.57 N ATOM 643 CA LYS A 43 56.795 -0.490 2.041 1.00 0.58 C ATOM 644 C LYS A 43 57.821 -1.525 1.573 1.00 0.56 C ATOM 645 O LYS A 43 57.735 -2.692 1.900 1.00 0.60 O ATOM 646 CB LYS A 43 55.859 -0.107 0.894 1.00 0.65 C ATOM 647 CG LYS A 43 54.431 -0.535 1.235 1.00 0.99 C ATOM 648 CD LYS A 43 53.451 0.553 0.791 1.00 1.28 C ATOM 649 CE LYS A 43 52.027 -0.008 0.795 1.00 1.53 C ATOM 650 NZ LYS A 43 51.798 -0.461 2.196 1.00 1.86 N ATOM 0 H LYS A 43 57.099 1.623 1.992 1.00 0.57 H new ATOM 0 HA LYS A 43 56.255 -0.933 2.878 1.00 0.58 H new ATOM 0 HB2 LYS A 43 55.896 0.969 0.724 1.00 0.65 H new ATOM 0 HB3 LYS A 43 56.183 -0.587 -0.029 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.194 -1.476 0.739 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.338 -0.707 2.307 1.00 0.99 H new ATOM 0 HD2 LYS A 43 53.517 1.411 1.460 1.00 1.28 H new ATOM 0 HD3 LYS A 43 53.711 0.906 -0.207 1.00 1.28 H new ATOM 0 HE2 LYS A 43 51.302 0.751 0.502 1.00 1.53 H new ATOM 0 HE3 LYS A 43 51.926 -0.834 0.091 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 50.776 -0.489 2.389 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 52.201 -1.411 2.324 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 52.256 0.201 2.854 1.00 1.86 H new ATOM 664 N VAL A 44 58.793 -1.105 0.810 1.00 0.54 N ATOM 665 CA VAL A 44 59.826 -2.060 0.322 1.00 0.56 C ATOM 666 C VAL A 44 60.571 -2.682 1.509 1.00 0.59 C ATOM 667 O VAL A 44 60.897 -3.853 1.505 1.00 0.57 O ATOM 668 CB VAL A 44 60.769 -1.208 -0.533 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.120 -1.911 -0.677 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.152 -1.007 -1.919 1.00 1.36 C ATOM 0 H VAL A 44 58.916 -0.140 0.503 1.00 0.54 H new ATOM 0 HA VAL A 44 59.400 -2.887 -0.246 1.00 0.56 H new ATOM 0 HB VAL A 44 60.917 -0.242 -0.051 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.785 -1.299 -1.286 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.562 -2.056 0.309 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.977 -2.879 -1.156 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.820 -0.401 -2.530 1.00 1.36 H new ATOM 0 HG22 VAL A 44 60.003 -1.976 -2.395 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.192 -0.501 -1.820 1.00 1.36 H new ATOM 680 N MET A 45 60.839 -1.908 2.525 1.00 0.74 N ATOM 681 CA MET A 45 61.559 -2.457 3.709 1.00 0.84 C ATOM 682 C MET A 45 60.679 -3.474 4.440 1.00 0.86 C ATOM 683 O MET A 45 61.159 -4.301 5.190 1.00 0.89 O ATOM 684 CB MET A 45 61.834 -1.246 4.602 1.00 0.96 C ATOM 685 CG MET A 45 63.146 -0.584 4.178 1.00 1.12 C ATOM 686 SD MET A 45 64.352 -0.722 5.520 1.00 1.48 S ATOM 687 CE MET A 45 65.693 0.186 4.714 1.00 0.73 C ATOM 0 H MET A 45 60.591 -0.921 2.586 1.00 0.74 H new ATOM 0 HA MET A 45 62.477 -2.975 3.430 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.014 -0.532 4.527 1.00 0.96 H new ATOM 0 HB3 MET A 45 61.892 -1.556 5.645 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.532 -1.061 3.277 1.00 1.12 H new ATOM 0 HG3 MET A 45 62.975 0.465 3.935 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.652 -0.170 5.091 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.645 0.026 3.637 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.592 1.250 4.928 1.00 0.73 H new ATOM 697 N ARG A 46 59.392 -3.418 4.230 1.00 0.94 N ATOM 698 CA ARG A 46 58.481 -4.381 4.915 1.00 1.04 C ATOM 699 C ARG A 46 58.448 -5.712 4.158 1.00 1.00 C ATOM 700 O ARG A 46 58.526 -6.773 4.744 1.00 1.04 O ATOM 701 CB ARG A 46 57.104 -3.714 4.885 1.00 1.21 C ATOM 702 CG ARG A 46 57.241 -2.241 5.278 1.00 1.04 C ATOM 703 CD ARG A 46 56.077 -1.844 6.187 1.00 1.77 C ATOM 704 NE ARG A 46 55.187 -1.012 5.331 1.00 2.29 N ATOM 705 CZ ARG A 46 54.820 0.175 5.730 1.00 2.76 C ATOM 706 NH1 ARG A 46 55.545 1.218 5.429 1.00 3.45 N ATOM 707 NH2 ARG A 46 53.729 0.319 6.430 1.00 3.10 N ATOM 0 H ARG A 46 58.931 -2.748 3.614 1.00 0.94 H new ATOM 0 HA ARG A 46 58.806 -4.603 5.932 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.670 -3.797 3.889 1.00 1.21 H new ATOM 0 HB3 ARG A 46 56.427 -4.223 5.571 1.00 1.21 H new ATOM 0 HG2 ARG A 46 58.189 -2.077 5.791 1.00 1.04 H new ATOM 0 HG3 ARG A 46 57.249 -1.615 4.386 1.00 1.04 H new ATOM 0 HD2 ARG A 46 55.553 -2.722 6.564 1.00 1.77 H new ATOM 0 HD3 ARG A 46 56.427 -1.284 7.054 1.00 1.77 H new ATOM 0 HE ARG A 46 54.864 -1.370 4.432 1.00 2.29 H new ATOM 0 HH11 ARG A 46 56.398 1.105 4.882 1.00 3.45 H new ATOM 0 HH12 ARG A 46 55.258 2.146 5.741 1.00 3.45 H new ATOM 0 HH21 ARG A 46 53.163 -0.496 6.665 1.00 3.10 H new ATOM 0 HH22 ARG A 46 53.442 1.247 6.742 1.00 3.10 H new ATOM 721 N MET A 47 58.332 -5.663 2.859 1.00 0.98 N ATOM 722 CA MET A 47 58.293 -6.925 2.066 1.00 1.04 C ATOM 723 C MET A 47 59.405 -7.874 2.521 1.00 0.99 C ATOM 724 O MET A 47 59.313 -9.075 2.362 1.00 1.07 O ATOM 725 CB MET A 47 58.516 -6.488 0.618 1.00 1.19 C ATOM 726 CG MET A 47 57.222 -5.895 0.058 1.00 1.37 C ATOM 727 SD MET A 47 56.758 -6.778 -1.451 1.00 1.89 S ATOM 728 CE MET A 47 58.149 -6.231 -2.470 1.00 1.30 C ATOM 0 H MET A 47 58.263 -4.804 2.313 1.00 0.98 H new ATOM 0 HA MET A 47 57.352 -7.462 2.190 1.00 1.04 H new ATOM 0 HB2 MET A 47 59.317 -5.751 0.569 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.829 -7.340 0.014 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.424 -5.972 0.797 1.00 1.37 H new ATOM 0 HG3 MET A 47 57.358 -4.835 -0.155 1.00 1.37 H new ATOM 0 HE1 MET A 47 57.879 -6.304 -3.524 1.00 1.30 H new ATOM 0 HE2 MET A 47 58.392 -5.196 -2.229 1.00 1.30 H new ATOM 0 HE3 MET A 47 59.015 -6.863 -2.273 1.00 1.30 H new ATOM 738 N LEU A 48 60.457 -7.344 3.083 1.00 0.93 N ATOM 739 CA LEU A 48 61.574 -8.219 3.544 1.00 0.98 C ATOM 740 C LEU A 48 61.443 -8.503 5.043 1.00 1.32 C ATOM 741 O LEU A 48 62.241 -9.212 5.622 1.00 1.80 O ATOM 742 CB LEU A 48 62.846 -7.422 3.257 1.00 1.21 C ATOM 743 CG LEU A 48 63.170 -7.496 1.765 1.00 1.28 C ATOM 744 CD1 LEU A 48 62.773 -6.181 1.090 1.00 2.11 C ATOM 745 CD2 LEU A 48 64.670 -7.730 1.580 1.00 1.86 C ATOM 0 H LEU A 48 60.592 -6.346 3.243 1.00 0.93 H new ATOM 0 HA LEU A 48 61.576 -9.185 3.039 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.713 -6.383 3.560 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.676 -7.820 3.840 1.00 1.21 H new ATOM 0 HG LEU A 48 62.615 -8.318 1.314 1.00 1.28 H new ATOM 0 HD11 LEU A 48 63.004 -6.234 0.026 1.00 2.11 H new ATOM 0 HD12 LEU A 48 61.704 -6.013 1.221 1.00 2.11 H new ATOM 0 HD13 LEU A 48 63.328 -5.358 1.541 1.00 2.11 H new ATOM 0 HD21 LEU A 48 64.902 -7.783 0.516 1.00 1.86 H new ATOM 0 HD22 LEU A 48 65.225 -6.908 2.032 1.00 1.86 H new ATOM 0 HD23 LEU A 48 64.954 -8.666 2.060 1.00 1.86 H new ATOM 757 N GLY A 49 60.439 -7.957 5.675 1.00 1.36 N ATOM 758 CA GLY A 49 60.259 -8.199 7.135 1.00 1.95 C ATOM 759 C GLY A 49 61.081 -7.183 7.929 1.00 1.43 C ATOM 760 O GLY A 49 61.793 -7.531 8.850 1.00 1.92 O ATOM 0 H GLY A 49 59.737 -7.355 5.244 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.205 -8.116 7.400 1.00 1.95 H new ATOM 0 HA3 GLY A 49 60.572 -9.212 7.387 1.00 1.95 H new ATOM 764 N GLN A 50 60.987 -5.929 7.582 1.00 1.21 N ATOM 765 CA GLN A 50 61.763 -4.892 8.319 1.00 1.01 C ATOM 766 C GLN A 50 60.932 -3.616 8.469 1.00 1.02 C ATOM 767 O GLN A 50 60.275 -3.178 7.545 1.00 1.23 O ATOM 768 CB GLN A 50 62.997 -4.629 7.453 1.00 1.43 C ATOM 769 CG GLN A 50 64.240 -5.177 8.157 1.00 1.58 C ATOM 770 CD GLN A 50 64.710 -6.448 7.447 1.00 2.45 C ATOM 771 OE1 GLN A 50 64.462 -7.543 7.911 1.00 3.08 O ATOM 772 NE2 GLN A 50 65.381 -6.349 6.333 1.00 3.14 N ATOM 0 H GLN A 50 60.407 -5.578 6.820 1.00 1.21 H new ATOM 0 HA GLN A 50 62.032 -5.216 9.324 1.00 1.01 H new ATOM 0 HB2 GLN A 50 62.879 -5.104 6.479 1.00 1.43 H new ATOM 0 HB3 GLN A 50 63.108 -3.559 7.275 1.00 1.43 H new ATOM 0 HG2 GLN A 50 65.034 -4.430 8.151 1.00 1.58 H new ATOM 0 HG3 GLN A 50 64.014 -5.393 9.201 1.00 1.58 H new ATOM 0 HE21 GLN A 50 65.589 -5.430 5.943 1.00 3.14 H new ATOM 0 HE22 GLN A 50 65.697 -7.191 5.852 1.00 3.14 H new ATOM 781 N ASN A 51 60.956 -3.014 9.627 1.00 0.98 N ATOM 782 CA ASN A 51 60.167 -1.766 9.836 1.00 1.08 C ATOM 783 C ASN A 51 60.895 -0.839 10.815 1.00 0.93 C ATOM 784 O ASN A 51 60.606 -0.831 11.994 1.00 1.15 O ATOM 785 CB ASN A 51 58.836 -2.231 10.426 1.00 1.52 C ATOM 786 CG ASN A 51 59.091 -2.989 11.729 1.00 1.82 C ATOM 787 OD1 ASN A 51 60.220 -3.292 12.059 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.080 -3.310 12.492 1.00 2.47 N ATOM 0 H ASN A 51 61.488 -3.332 10.437 1.00 0.98 H new ATOM 0 HA ASN A 51 60.028 -1.206 8.911 1.00 1.08 H new ATOM 0 HB2 ASN A 51 58.190 -1.373 10.613 1.00 1.52 H new ATOM 0 HB3 ASN A 51 58.316 -2.873 9.715 1.00 1.52 H new ATOM 0 HD21 ASN A 51 58.239 -3.815 13.364 1.00 2.47 H new ATOM 0 HD22 ASN A 51 57.132 -3.056 12.216 1.00 2.47 H new ATOM 795 N PRO A 52 61.820 -0.088 10.284 1.00 0.72 N ATOM 796 CA PRO A 52 62.606 0.857 11.115 1.00 0.80 C ATOM 797 C PRO A 52 61.745 2.059 11.518 1.00 0.80 C ATOM 798 O PRO A 52 60.535 2.031 11.411 1.00 0.80 O ATOM 799 CB PRO A 52 63.741 1.287 10.191 1.00 0.85 C ATOM 800 CG PRO A 52 63.214 1.081 8.806 1.00 0.79 C ATOM 801 CD PRO A 52 62.219 -0.049 8.873 1.00 0.71 C ATOM 0 HA PRO A 52 62.964 0.415 12.045 1.00 0.80 H new ATOM 0 HB2 PRO A 52 64.013 2.329 10.359 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.638 0.692 10.364 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.740 1.990 8.435 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.024 0.840 8.118 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.364 0.133 8.221 1.00 0.71 H new ATOM 0 HD3 PRO A 52 62.665 -0.992 8.558 1.00 0.71 H new ATOM 809 N THR A 53 62.361 3.113 11.980 1.00 0.87 N ATOM 810 CA THR A 53 61.577 4.314 12.389 1.00 0.92 C ATOM 811 C THR A 53 61.650 5.390 11.301 1.00 0.82 C ATOM 812 O THR A 53 62.468 5.315 10.407 1.00 0.76 O ATOM 813 CB THR A 53 62.246 4.804 13.675 1.00 1.08 C ATOM 814 OG1 THR A 53 63.657 4.767 13.515 1.00 1.26 O ATOM 815 CG2 THR A 53 61.838 3.902 14.841 1.00 1.54 C ATOM 0 H THR A 53 63.372 3.195 12.092 1.00 0.87 H new ATOM 0 HA THR A 53 60.522 4.087 12.539 1.00 0.92 H new ATOM 0 HB THR A 53 61.930 5.826 13.883 1.00 1.08 H new ATOM 0 HG1 THR A 53 64.061 4.304 14.279 1.00 1.26 H new ATOM 0 HG21 THR A 53 62.315 4.252 15.756 1.00 1.54 H new ATOM 0 HG22 THR A 53 60.755 3.932 14.962 1.00 1.54 H new ATOM 0 HG23 THR A 53 62.152 2.879 14.637 1.00 1.54 H new ATOM 823 N PRO A 54 60.781 6.357 11.417 1.00 0.82 N ATOM 824 CA PRO A 54 60.735 7.465 10.432 1.00 0.75 C ATOM 825 C PRO A 54 61.919 8.416 10.633 1.00 0.73 C ATOM 826 O PRO A 54 62.692 8.661 9.728 1.00 0.69 O ATOM 827 CB PRO A 54 59.416 8.167 10.745 1.00 0.83 C ATOM 828 CG PRO A 54 59.135 7.844 12.179 1.00 0.94 C ATOM 829 CD PRO A 54 59.768 6.506 12.467 1.00 0.93 C ATOM 0 HA PRO A 54 60.797 7.121 9.400 1.00 0.75 H new ATOM 0 HB2 PRO A 54 59.496 9.243 10.591 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.616 7.811 10.096 1.00 0.83 H new ATOM 0 HG2 PRO A 54 59.545 8.613 12.834 1.00 0.94 H new ATOM 0 HG3 PRO A 54 58.061 7.809 12.362 1.00 0.94 H new ATOM 0 HD2 PRO A 54 60.217 6.483 13.460 1.00 0.93 H new ATOM 0 HD3 PRO A 54 59.034 5.701 12.430 1.00 0.93 H new ATOM 837 N GLU A 55 62.062 8.958 11.812 1.00 0.85 N ATOM 838 CA GLU A 55 63.192 9.897 12.071 1.00 0.87 C ATOM 839 C GLU A 55 64.518 9.273 11.626 1.00 0.84 C ATOM 840 O GLU A 55 65.446 9.966 11.255 1.00 0.82 O ATOM 841 CB GLU A 55 63.182 10.116 13.584 1.00 1.02 C ATOM 842 CG GLU A 55 64.262 11.132 13.962 1.00 1.48 C ATOM 843 CD GLU A 55 64.932 10.703 15.268 1.00 2.02 C ATOM 844 OE1 GLU A 55 65.401 9.579 15.330 1.00 2.53 O ATOM 845 OE2 GLU A 55 64.966 11.508 16.185 1.00 2.57 O ATOM 0 H GLU A 55 61.445 8.791 12.607 1.00 0.85 H new ATOM 0 HA GLU A 55 63.085 10.832 11.521 1.00 0.87 H new ATOM 0 HB2 GLU A 55 62.203 10.474 13.903 1.00 1.02 H new ATOM 0 HB3 GLU A 55 63.360 9.172 14.100 1.00 1.02 H new ATOM 0 HG2 GLU A 55 65.004 11.203 13.167 1.00 1.48 H new ATOM 0 HG3 GLU A 55 63.821 12.122 14.075 1.00 1.48 H new ATOM 852 N GLU A 56 64.618 7.973 11.661 1.00 0.88 N ATOM 853 CA GLU A 56 65.887 7.311 11.241 1.00 0.91 C ATOM 854 C GLU A 56 66.055 7.396 9.721 1.00 0.80 C ATOM 855 O GLU A 56 67.054 7.875 9.223 1.00 0.81 O ATOM 856 CB GLU A 56 65.738 5.854 11.682 1.00 1.00 C ATOM 857 CG GLU A 56 66.599 5.605 12.921 1.00 1.44 C ATOM 858 CD GLU A 56 67.860 4.836 12.521 1.00 1.39 C ATOM 859 OE1 GLU A 56 68.680 5.405 11.818 1.00 1.79 O ATOM 860 OE2 GLU A 56 67.982 3.690 12.922 1.00 2.00 O ATOM 0 H GLU A 56 63.877 7.340 11.962 1.00 0.88 H new ATOM 0 HA GLU A 56 66.764 7.785 11.683 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.693 5.635 11.902 1.00 1.00 H new ATOM 0 HB3 GLU A 56 66.041 5.186 10.876 1.00 1.00 H new ATOM 0 HG2 GLU A 56 66.870 6.553 13.385 1.00 1.44 H new ATOM 0 HG3 GLU A 56 66.034 5.038 13.661 1.00 1.44 H new ATOM 867 N LEU A 57 65.086 6.931 8.982 1.00 0.75 N ATOM 868 CA LEU A 57 65.190 6.982 7.495 1.00 0.70 C ATOM 869 C LEU A 57 65.485 8.411 7.030 1.00 0.67 C ATOM 870 O LEU A 57 66.383 8.646 6.246 1.00 0.71 O ATOM 871 CB LEU A 57 63.823 6.523 6.987 1.00 0.69 C ATOM 872 CG LEU A 57 63.942 5.113 6.405 1.00 1.00 C ATOM 873 CD1 LEU A 57 63.442 4.094 7.429 1.00 1.51 C ATOM 874 CD2 LEU A 57 63.096 5.014 5.134 1.00 1.41 C ATOM 0 H LEU A 57 64.226 6.518 9.343 1.00 0.75 H new ATOM 0 HA LEU A 57 65.998 6.355 7.117 1.00 0.70 H new ATOM 0 HB2 LEU A 57 63.099 6.532 7.802 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.456 7.212 6.226 1.00 0.69 H new ATOM 0 HG LEU A 57 64.985 4.906 6.166 1.00 1.00 H new ATOM 0 HD11 LEU A 57 63.527 3.090 7.014 1.00 1.51 H new ATOM 0 HD12 LEU A 57 64.043 4.164 8.336 1.00 1.51 H new ATOM 0 HD13 LEU A 57 62.399 4.301 7.669 1.00 1.51 H new ATOM 0 HD21 LEU A 57 63.180 4.010 4.718 1.00 1.41 H new ATOM 0 HD22 LEU A 57 62.053 5.221 5.374 1.00 1.41 H new ATOM 0 HD23 LEU A 57 63.451 5.740 4.403 1.00 1.41 H new ATOM 886 N GLN A 58 64.737 9.368 7.507 1.00 0.68 N ATOM 887 CA GLN A 58 64.977 10.779 7.090 1.00 0.72 C ATOM 888 C GLN A 58 66.352 11.247 7.574 1.00 0.71 C ATOM 889 O GLN A 58 67.011 12.038 6.928 1.00 0.79 O ATOM 890 CB GLN A 58 63.867 11.585 7.765 1.00 0.79 C ATOM 891 CG GLN A 58 64.195 13.077 7.679 1.00 1.09 C ATOM 892 CD GLN A 58 64.336 13.485 6.212 1.00 1.67 C ATOM 893 OE1 GLN A 58 65.279 14.157 5.843 1.00 2.37 O ATOM 894 NE2 GLN A 58 63.431 13.104 5.352 1.00 2.20 N ATOM 0 H GLN A 58 63.971 9.234 8.167 1.00 0.68 H new ATOM 0 HA GLN A 58 64.965 10.898 6.007 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.911 11.383 7.281 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.767 11.283 8.808 1.00 0.79 H new ATOM 0 HG2 GLN A 58 63.408 13.661 8.156 1.00 1.09 H new ATOM 0 HG3 GLN A 58 65.119 13.289 8.217 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.639 12.540 5.661 1.00 2.20 H new ATOM 0 HE22 GLN A 58 63.516 13.370 4.371 1.00 2.20 H new ATOM 903 N GLU A 59 66.790 10.766 8.704 1.00 0.70 N ATOM 904 CA GLU A 59 68.121 11.185 9.229 1.00 0.72 C ATOM 905 C GLU A 59 69.234 10.723 8.284 1.00 0.73 C ATOM 906 O GLU A 59 70.254 11.368 8.148 1.00 0.75 O ATOM 907 CB GLU A 59 68.246 10.489 10.585 1.00 0.75 C ATOM 908 CG GLU A 59 69.614 10.798 11.193 1.00 1.37 C ATOM 909 CD GLU A 59 69.862 9.871 12.385 1.00 1.66 C ATOM 910 OE1 GLU A 59 68.925 9.213 12.805 1.00 2.42 O ATOM 911 OE2 GLU A 59 70.986 9.836 12.859 1.00 2.02 O ATOM 0 H GLU A 59 66.284 10.100 9.288 1.00 0.70 H new ATOM 0 HA GLU A 59 68.209 12.268 9.315 1.00 0.72 H new ATOM 0 HB2 GLU A 59 67.454 10.827 11.254 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.124 9.412 10.466 1.00 0.75 H new ATOM 0 HG2 GLU A 59 70.395 10.664 10.445 1.00 1.37 H new ATOM 0 HG3 GLU A 59 69.655 11.839 11.513 1.00 1.37 H new ATOM 918 N MET A 60 69.046 9.608 7.631 1.00 0.79 N ATOM 919 CA MET A 60 70.094 9.107 6.696 1.00 0.84 C ATOM 920 C MET A 60 69.759 9.511 5.258 1.00 0.82 C ATOM 921 O MET A 60 70.626 9.870 4.486 1.00 0.96 O ATOM 922 CB MET A 60 70.063 7.586 6.846 1.00 0.93 C ATOM 923 CG MET A 60 70.718 7.192 8.172 1.00 1.27 C ATOM 924 SD MET A 60 69.632 6.053 9.066 1.00 1.65 S ATOM 925 CE MET A 60 69.232 4.977 7.667 1.00 0.97 C ATOM 0 H MET A 60 68.213 9.023 7.704 1.00 0.79 H new ATOM 0 HA MET A 60 71.078 9.520 6.920 1.00 0.84 H new ATOM 0 HB2 MET A 60 69.034 7.228 6.815 1.00 0.93 H new ATOM 0 HB3 MET A 60 70.589 7.117 6.014 1.00 0.93 H new ATOM 0 HG2 MET A 60 71.684 6.721 7.987 1.00 1.27 H new ATOM 0 HG3 MET A 60 70.907 8.080 8.775 1.00 1.27 H new ATOM 0 HE1 MET A 60 68.573 4.176 8.001 1.00 0.97 H new ATOM 0 HE2 MET A 60 68.732 5.558 6.892 1.00 0.97 H new ATOM 0 HE3 MET A 60 70.149 4.548 7.264 1.00 0.97 H new ATOM 935 N ILE A 61 68.508 9.456 4.891 1.00 0.76 N ATOM 936 CA ILE A 61 68.122 9.839 3.502 1.00 0.78 C ATOM 937 C ILE A 61 68.628 11.249 3.185 1.00 0.77 C ATOM 938 O ILE A 61 69.339 11.461 2.222 1.00 0.82 O ATOM 939 CB ILE A 61 66.594 9.802 3.492 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.120 8.347 3.456 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.073 10.536 2.255 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.618 8.292 3.738 1.00 0.98 C ATOM 0 H ILE A 61 67.737 9.163 5.491 1.00 0.76 H new ATOM 0 HA ILE A 61 68.550 9.172 2.754 1.00 0.78 H new ATOM 0 HB ILE A 61 66.214 10.288 4.390 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.334 7.908 2.482 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.662 7.759 4.197 1.00 0.90 H new ATOM 0 HG21 ILE A 61 64.983 10.509 2.248 1.00 0.89 H new ATOM 0 HG22 ILE A 61 66.411 11.572 2.278 1.00 0.89 H new ATOM 0 HG23 ILE A 61 66.453 10.050 1.356 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.281 7.256 3.712 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.417 8.715 4.722 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.084 8.866 2.981 1.00 0.98 H new ATOM 954 N ASP A 62 68.266 12.213 3.987 1.00 0.82 N ATOM 955 CA ASP A 62 68.726 13.610 3.735 1.00 0.90 C ATOM 956 C ASP A 62 70.198 13.615 3.317 1.00 0.85 C ATOM 957 O ASP A 62 70.627 14.434 2.529 1.00 0.91 O ATOM 958 CB ASP A 62 68.545 14.331 5.071 1.00 1.03 C ATOM 959 CG ASP A 62 68.511 15.842 4.837 1.00 1.58 C ATOM 960 OD1 ASP A 62 69.550 16.397 4.520 1.00 2.06 O ATOM 961 OD2 ASP A 62 67.445 16.419 4.981 1.00 2.24 O ATOM 0 H ASP A 62 67.671 12.094 4.807 1.00 0.82 H new ATOM 0 HA ASP A 62 68.168 14.091 2.932 1.00 0.90 H new ATOM 0 HB2 ASP A 62 67.621 14.006 5.549 1.00 1.03 H new ATOM 0 HB3 ASP A 62 69.361 14.076 5.747 1.00 1.03 H new ATOM 966 N GLU A 63 70.974 12.702 3.836 1.00 0.84 N ATOM 967 CA GLU A 63 72.414 12.650 3.467 1.00 0.91 C ATOM 968 C GLU A 63 72.605 11.698 2.279 1.00 1.01 C ATOM 969 O GLU A 63 73.580 11.776 1.557 1.00 1.32 O ATOM 970 CB GLU A 63 73.112 12.132 4.735 1.00 0.99 C ATOM 971 CG GLU A 63 74.305 11.245 4.371 1.00 1.35 C ATOM 972 CD GLU A 63 75.371 12.084 3.666 1.00 1.55 C ATOM 973 OE1 GLU A 63 75.038 13.162 3.202 1.00 2.14 O ATOM 974 OE2 GLU A 63 76.504 11.635 3.601 1.00 2.00 O ATOM 0 H GLU A 63 70.671 11.990 4.500 1.00 0.84 H new ATOM 0 HA GLU A 63 72.820 13.612 3.156 1.00 0.91 H new ATOM 0 HB2 GLU A 63 73.449 12.974 5.340 1.00 0.99 H new ATOM 0 HB3 GLU A 63 72.404 11.567 5.341 1.00 0.99 H new ATOM 0 HG2 GLU A 63 74.721 10.791 5.270 1.00 1.35 H new ATOM 0 HG3 GLU A 63 73.981 10.431 3.723 1.00 1.35 H new ATOM 981 N VAL A 64 71.678 10.803 2.071 1.00 0.92 N ATOM 982 CA VAL A 64 71.800 9.847 0.934 1.00 1.07 C ATOM 983 C VAL A 64 71.143 10.429 -0.320 1.00 1.13 C ATOM 984 O VAL A 64 71.592 10.211 -1.427 1.00 1.54 O ATOM 985 CB VAL A 64 71.054 8.597 1.393 1.00 1.23 C ATOM 986 CG1 VAL A 64 70.796 7.688 0.191 1.00 2.24 C ATOM 987 CG2 VAL A 64 71.898 7.851 2.427 1.00 1.42 C ATOM 0 H VAL A 64 70.839 10.693 2.641 1.00 0.92 H new ATOM 0 HA VAL A 64 72.839 9.636 0.680 1.00 1.07 H new ATOM 0 HB VAL A 64 70.103 8.884 1.841 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.263 6.795 0.518 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.194 8.221 -0.545 1.00 2.24 H new ATOM 0 HG13 VAL A 64 71.747 7.400 -0.258 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.366 6.958 2.755 1.00 1.42 H new ATOM 0 HG22 VAL A 64 72.850 7.563 1.980 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.081 8.500 3.284 1.00 1.42 H new ATOM 997 N ASP A 65 70.078 11.163 -0.153 1.00 1.00 N ATOM 998 CA ASP A 65 69.384 11.756 -1.335 1.00 1.14 C ATOM 999 C ASP A 65 70.037 13.086 -1.734 1.00 1.45 C ATOM 1000 O ASP A 65 69.414 13.933 -2.342 1.00 1.74 O ATOM 1001 CB ASP A 65 67.943 11.981 -0.872 1.00 1.21 C ATOM 1002 CG ASP A 65 67.880 13.204 0.047 1.00 2.09 C ATOM 1003 OD1 ASP A 65 68.096 14.299 -0.443 1.00 2.63 O ATOM 1004 OD2 ASP A 65 67.615 13.023 1.223 1.00 2.83 O ATOM 0 H ASP A 65 69.657 11.379 0.750 1.00 1.00 H new ATOM 0 HA ASP A 65 69.438 11.109 -2.210 1.00 1.14 H new ATOM 0 HB2 ASP A 65 67.293 12.128 -1.734 1.00 1.21 H new ATOM 0 HB3 ASP A 65 67.578 11.099 -0.345 1.00 1.21 H new ATOM 1043 N SER A 69 66.736 14.034 -5.527 1.00 1.42 N ATOM 1044 CA SER A 69 65.690 14.730 -4.724 1.00 1.79 C ATOM 1045 C SER A 69 64.796 13.704 -4.023 1.00 1.42 C ATOM 1046 O SER A 69 63.699 13.418 -4.463 1.00 1.97 O ATOM 1047 CB SER A 69 64.885 15.538 -5.739 1.00 2.79 C ATOM 1048 OG SER A 69 65.139 16.924 -5.540 1.00 3.72 O ATOM 0 HA SER A 69 66.117 15.364 -3.947 1.00 1.79 H new ATOM 0 HB2 SER A 69 65.160 15.248 -6.753 1.00 2.79 H new ATOM 0 HB3 SER A 69 63.821 15.331 -5.625 1.00 2.79 H new ATOM 0 HG SER A 69 64.626 17.447 -6.190 1.00 3.72 H new ATOM 1054 N GLY A 70 65.254 13.148 -2.935 1.00 1.01 N ATOM 1055 CA GLY A 70 64.431 12.142 -2.207 1.00 1.07 C ATOM 1056 C GLY A 70 64.270 10.891 -3.071 1.00 0.84 C ATOM 1057 O GLY A 70 63.172 10.441 -3.332 1.00 0.87 O ATOM 0 H GLY A 70 66.164 13.347 -2.519 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.906 11.884 -1.261 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.453 12.560 -1.969 1.00 1.07 H new ATOM 1061 N THR A 71 65.358 10.322 -3.517 1.00 0.70 N ATOM 1062 CA THR A 71 65.264 9.097 -4.364 1.00 0.55 C ATOM 1063 C THR A 71 66.531 8.249 -4.215 1.00 0.54 C ATOM 1064 O THR A 71 67.635 8.735 -4.361 1.00 0.72 O ATOM 1065 CB THR A 71 65.130 9.616 -5.796 1.00 0.60 C ATOM 1066 OG1 THR A 71 66.094 10.634 -6.023 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.725 10.184 -6.005 1.00 0.81 C ATOM 0 H THR A 71 66.306 10.651 -3.332 1.00 0.70 H new ATOM 0 HA THR A 71 64.425 8.462 -4.080 1.00 0.55 H new ATOM 0 HB THR A 71 65.296 8.797 -6.496 1.00 0.60 H new ATOM 0 HG1 THR A 71 66.916 10.420 -5.535 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.630 10.554 -7.026 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.987 9.401 -5.833 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.556 11.003 -5.305 1.00 0.81 H new ATOM 1075 N VAL A 72 66.379 6.986 -3.926 1.00 0.52 N ATOM 1076 CA VAL A 72 67.576 6.106 -3.768 1.00 0.65 C ATOM 1077 C VAL A 72 67.713 5.151 -4.951 1.00 0.56 C ATOM 1078 O VAL A 72 66.742 4.750 -5.562 1.00 0.57 O ATOM 1079 CB VAL A 72 67.355 5.303 -2.480 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.808 6.132 -1.286 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.874 4.942 -2.320 1.00 1.23 C ATOM 0 H VAL A 72 65.480 6.524 -3.792 1.00 0.52 H new ATOM 0 HA VAL A 72 68.487 6.703 -3.724 1.00 0.65 H new ATOM 0 HB VAL A 72 67.935 4.382 -2.534 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.652 5.564 -0.369 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.866 6.371 -1.390 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.230 7.055 -1.244 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.736 4.372 -1.401 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.280 5.855 -2.274 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.552 4.342 -3.171 1.00 1.23 H new ATOM 1091 N ASP A 73 68.919 4.770 -5.261 1.00 0.64 N ATOM 1092 CA ASP A 73 69.141 3.822 -6.385 1.00 0.70 C ATOM 1093 C ASP A 73 69.692 2.508 -5.829 1.00 0.70 C ATOM 1094 O ASP A 73 70.079 2.429 -4.680 1.00 0.71 O ATOM 1095 CB ASP A 73 70.173 4.502 -7.286 1.00 0.85 C ATOM 1096 CG ASP A 73 71.524 4.548 -6.570 1.00 1.25 C ATOM 1097 OD1 ASP A 73 71.545 4.325 -5.371 1.00 1.72 O ATOM 1098 OD2 ASP A 73 72.515 4.805 -7.233 1.00 1.91 O ATOM 0 H ASP A 73 69.765 5.077 -4.781 1.00 0.64 H new ATOM 0 HA ASP A 73 68.227 3.592 -6.932 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.266 3.958 -8.226 1.00 0.85 H new ATOM 0 HB3 ASP A 73 69.846 5.512 -7.534 1.00 0.85 H new ATOM 1103 N PHE A 74 69.732 1.478 -6.623 1.00 0.81 N ATOM 1104 CA PHE A 74 70.261 0.182 -6.116 1.00 0.87 C ATOM 1105 C PHE A 74 71.562 0.412 -5.342 1.00 0.76 C ATOM 1106 O PHE A 74 71.935 -0.369 -4.489 1.00 0.74 O ATOM 1107 CB PHE A 74 70.516 -0.660 -7.366 1.00 1.04 C ATOM 1108 CG PHE A 74 69.864 -2.012 -7.204 1.00 1.34 C ATOM 1109 CD1 PHE A 74 70.291 -2.875 -6.188 1.00 2.16 C ATOM 1110 CD2 PHE A 74 68.834 -2.400 -8.067 1.00 2.11 C ATOM 1111 CE1 PHE A 74 69.687 -4.129 -6.037 1.00 3.14 C ATOM 1112 CE2 PHE A 74 68.229 -3.654 -7.916 1.00 3.02 C ATOM 1113 CZ PHE A 74 68.655 -4.518 -6.900 1.00 3.42 C ATOM 0 H PHE A 74 69.424 1.475 -7.595 1.00 0.81 H new ATOM 0 HA PHE A 74 69.569 -0.310 -5.433 1.00 0.87 H new ATOM 0 HB2 PHE A 74 70.117 -0.155 -8.245 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.588 -0.778 -7.526 1.00 1.04 H new ATOM 0 HD1 PHE A 74 71.086 -2.574 -5.521 1.00 2.16 H new ATOM 0 HD2 PHE A 74 68.505 -1.733 -8.850 1.00 2.11 H new ATOM 0 HE1 PHE A 74 70.017 -4.797 -5.255 1.00 3.14 H new ATOM 0 HE2 PHE A 74 67.434 -3.954 -8.583 1.00 3.02 H new ATOM 0 HZ PHE A 74 68.188 -5.484 -6.782 1.00 3.42 H new ATOM 1123 N ASP A 75 72.254 1.479 -5.632 1.00 0.79 N ATOM 1124 CA ASP A 75 73.529 1.762 -4.913 1.00 0.78 C ATOM 1125 C ASP A 75 73.241 2.227 -3.482 1.00 0.71 C ATOM 1126 O ASP A 75 73.710 1.645 -2.524 1.00 0.67 O ATOM 1127 CB ASP A 75 74.197 2.879 -5.714 1.00 0.96 C ATOM 1128 CG ASP A 75 75.661 3.008 -5.289 1.00 1.50 C ATOM 1129 OD1 ASP A 75 76.067 2.273 -4.403 1.00 2.18 O ATOM 1130 OD2 ASP A 75 76.352 3.838 -5.857 1.00 1.99 O ATOM 0 H ASP A 75 71.992 2.168 -6.337 1.00 0.79 H new ATOM 0 HA ASP A 75 74.163 0.879 -4.837 1.00 0.78 H new ATOM 0 HB2 ASP A 75 74.135 2.663 -6.781 1.00 0.96 H new ATOM 0 HB3 ASP A 75 73.675 3.822 -5.549 1.00 0.96 H new ATOM 1135 N GLU A 76 72.474 3.274 -3.328 1.00 0.74 N ATOM 1136 CA GLU A 76 72.161 3.770 -1.957 1.00 0.72 C ATOM 1137 C GLU A 76 71.244 2.780 -1.237 1.00 0.61 C ATOM 1138 O GLU A 76 71.501 2.382 -0.118 1.00 0.60 O ATOM 1139 CB GLU A 76 71.450 5.106 -2.172 1.00 0.82 C ATOM 1140 CG GLU A 76 72.417 6.098 -2.823 1.00 0.96 C ATOM 1141 CD GLU A 76 71.647 7.338 -3.283 1.00 1.36 C ATOM 1142 OE1 GLU A 76 70.462 7.415 -2.999 1.00 2.01 O ATOM 1143 OE2 GLU A 76 72.254 8.189 -3.911 1.00 2.14 O ATOM 0 H GLU A 76 72.052 3.805 -4.090 1.00 0.74 H new ATOM 0 HA GLU A 76 73.054 3.881 -1.341 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.574 4.966 -2.805 1.00 0.82 H new ATOM 0 HB3 GLU A 76 71.095 5.499 -1.219 1.00 0.82 H new ATOM 0 HG2 GLU A 76 73.194 6.382 -2.114 1.00 0.96 H new ATOM 0 HG3 GLU A 76 72.916 5.631 -3.672 1.00 0.96 H new ATOM 1150 N PHE A 77 70.174 2.380 -1.869 1.00 0.60 N ATOM 1151 CA PHE A 77 69.244 1.414 -1.219 1.00 0.54 C ATOM 1152 C PHE A 77 70.036 0.306 -0.518 1.00 0.48 C ATOM 1153 O PHE A 77 69.713 -0.103 0.578 1.00 0.55 O ATOM 1154 CB PHE A 77 68.410 0.838 -2.364 1.00 0.61 C ATOM 1155 CG PHE A 77 67.508 -0.251 -1.834 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.707 -0.009 -0.712 1.00 1.30 C ATOM 1157 CD2 PHE A 77 67.474 -1.500 -2.464 1.00 1.52 C ATOM 1158 CE1 PHE A 77 65.870 -1.018 -0.219 1.00 1.38 C ATOM 1159 CE2 PHE A 77 66.638 -2.509 -1.971 1.00 1.78 C ATOM 1160 CZ PHE A 77 65.836 -2.268 -0.848 1.00 1.25 C ATOM 0 H PHE A 77 69.904 2.680 -2.806 1.00 0.60 H new ATOM 0 HA PHE A 77 68.621 1.886 -0.459 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.814 1.625 -2.826 1.00 0.61 H new ATOM 0 HB3 PHE A 77 69.064 0.438 -3.139 1.00 0.61 H new ATOM 0 HD1 PHE A 77 66.734 0.955 -0.227 1.00 1.30 H new ATOM 0 HD2 PHE A 77 68.092 -1.685 -3.330 1.00 1.52 H new ATOM 0 HE1 PHE A 77 65.251 -0.832 0.646 1.00 1.38 H new ATOM 0 HE2 PHE A 77 66.611 -3.473 -2.457 1.00 1.78 H new ATOM 0 HZ PHE A 77 65.191 -3.047 -0.468 1.00 1.25 H new ATOM 1170 N LEU A 78 71.073 -0.181 -1.144 1.00 0.46 N ATOM 1171 CA LEU A 78 71.885 -1.262 -0.513 1.00 0.49 C ATOM 1172 C LEU A 78 72.653 -0.719 0.695 1.00 0.48 C ATOM 1173 O LEU A 78 72.730 -1.353 1.729 1.00 0.54 O ATOM 1174 CB LEU A 78 72.856 -1.711 -1.605 1.00 0.56 C ATOM 1175 CG LEU A 78 72.271 -2.913 -2.348 1.00 0.78 C ATOM 1176 CD1 LEU A 78 73.184 -3.283 -3.518 1.00 1.70 C ATOM 1177 CD2 LEU A 78 72.165 -4.101 -1.389 1.00 0.70 C ATOM 0 H LEU A 78 71.393 0.122 -2.064 1.00 0.46 H new ATOM 0 HA LEU A 78 71.266 -2.082 -0.149 1.00 0.49 H new ATOM 0 HB2 LEU A 78 73.039 -0.893 -2.302 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.817 -1.975 -1.165 1.00 0.56 H new ATOM 0 HG LEU A 78 71.280 -2.660 -2.726 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.767 -4.140 -4.048 1.00 1.70 H new ATOM 0 HD12 LEU A 78 73.262 -2.437 -4.201 1.00 1.70 H new ATOM 0 HD13 LEU A 78 74.175 -3.537 -3.140 1.00 1.70 H new ATOM 0 HD21 LEU A 78 71.748 -4.959 -1.917 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.156 -4.354 -1.012 1.00 0.70 H new ATOM 0 HD23 LEU A 78 71.515 -3.838 -0.554 1.00 0.70 H new ATOM 1189 N VAL A 79 73.224 0.447 0.573 1.00 0.46 N ATOM 1190 CA VAL A 79 73.991 1.027 1.714 1.00 0.51 C ATOM 1191 C VAL A 79 73.059 1.305 2.895 1.00 0.53 C ATOM 1192 O VAL A 79 73.426 1.136 4.042 1.00 0.64 O ATOM 1193 CB VAL A 79 74.578 2.330 1.174 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.455 2.981 2.246 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.429 2.029 -0.062 1.00 0.62 C ATOM 0 H VAL A 79 73.193 1.025 -0.267 1.00 0.46 H new ATOM 0 HA VAL A 79 74.765 0.351 2.077 1.00 0.51 H new ATOM 0 HB VAL A 79 73.768 3.009 0.906 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.873 3.910 1.859 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.852 3.194 3.129 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.265 2.303 2.514 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.849 2.957 -0.449 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.238 1.350 0.209 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.807 1.565 -0.828 1.00 0.62 H new ATOM 1205 N MET A 80 71.855 1.729 2.627 1.00 0.52 N ATOM 1206 CA MET A 80 70.903 2.019 3.738 1.00 0.60 C ATOM 1207 C MET A 80 70.424 0.715 4.383 1.00 0.62 C ATOM 1208 O MET A 80 70.106 0.672 5.554 1.00 0.71 O ATOM 1209 CB MET A 80 69.735 2.753 3.078 1.00 0.66 C ATOM 1210 CG MET A 80 70.070 4.241 2.962 1.00 1.11 C ATOM 1211 SD MET A 80 68.586 5.222 3.299 1.00 1.23 S ATOM 1212 CE MET A 80 67.658 4.745 1.820 1.00 0.86 C ATOM 0 H MET A 80 71.489 1.887 1.688 1.00 0.52 H new ATOM 0 HA MET A 80 71.362 2.612 4.529 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.540 2.335 2.090 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.827 2.618 3.666 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.860 4.503 3.666 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.447 4.463 1.964 1.00 1.11 H new ATOM 0 HE1 MET A 80 66.843 5.450 1.659 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.322 4.754 0.955 1.00 0.86 H new ATOM 0 HE3 MET A 80 67.250 3.743 1.954 1.00 0.86 H new ATOM 1222 N MET A 81 70.370 -0.348 3.628 1.00 0.61 N ATOM 1223 CA MET A 81 69.910 -1.646 4.203 1.00 0.72 C ATOM 1224 C MET A 81 70.991 -2.231 5.116 1.00 0.79 C ATOM 1225 O MET A 81 70.798 -2.379 6.307 1.00 0.91 O ATOM 1226 CB MET A 81 69.676 -2.554 2.997 1.00 0.75 C ATOM 1227 CG MET A 81 68.391 -2.132 2.281 1.00 1.01 C ATOM 1228 SD MET A 81 66.993 -2.267 3.421 1.00 1.71 S ATOM 1229 CE MET A 81 66.526 -3.965 3.002 1.00 1.66 C ATOM 0 H MET A 81 70.624 -0.375 2.640 1.00 0.61 H new ATOM 0 HA MET A 81 69.010 -1.535 4.808 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.523 -2.493 2.313 1.00 0.75 H new ATOM 0 HB3 MET A 81 69.601 -3.592 3.320 1.00 0.75 H new ATOM 0 HG2 MET A 81 68.483 -1.107 1.921 1.00 1.01 H new ATOM 0 HG3 MET A 81 68.224 -2.763 1.408 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.927 -4.387 3.809 1.00 1.66 H new ATOM 0 HE2 MET A 81 65.945 -3.966 2.080 1.00 1.66 H new ATOM 0 HE3 MET A 81 67.425 -4.566 2.865 1.00 1.66 H new ATOM 1239 N VAL A 82 72.125 -2.568 4.567 1.00 0.78 N ATOM 1240 CA VAL A 82 73.217 -3.144 5.404 1.00 0.90 C ATOM 1241 C VAL A 82 73.473 -2.257 6.625 1.00 0.94 C ATOM 1242 O VAL A 82 73.941 -2.713 7.650 1.00 1.13 O ATOM 1243 CB VAL A 82 74.442 -3.169 4.492 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.112 -3.942 3.214 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.836 -1.736 4.130 1.00 1.38 C ATOM 0 H VAL A 82 72.344 -2.470 3.576 1.00 0.78 H new ATOM 0 HA VAL A 82 72.969 -4.136 5.781 1.00 0.90 H new ATOM 0 HB VAL A 82 75.269 -3.656 5.009 1.00 0.98 H new ATOM 0 HG11 VAL A 82 74.986 -3.960 2.563 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.829 -4.963 3.469 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.285 -3.455 2.697 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.710 -1.752 3.479 1.00 1.38 H new ATOM 0 HG22 VAL A 82 74.008 -1.250 3.613 1.00 1.38 H new ATOM 0 HG23 VAL A 82 75.071 -1.183 5.039 1.00 1.38 H new ATOM 1255 N ARG A 83 73.170 -0.991 6.526 1.00 0.84 N ATOM 1256 CA ARG A 83 73.397 -0.076 7.681 1.00 0.93 C ATOM 1257 C ARG A 83 72.285 -0.252 8.719 1.00 0.93 C ATOM 1258 O ARG A 83 72.470 0.010 9.891 1.00 1.23 O ATOM 1259 CB ARG A 83 73.358 1.332 7.086 1.00 0.95 C ATOM 1260 CG ARG A 83 73.228 2.360 8.212 1.00 1.53 C ATOM 1261 CD ARG A 83 73.433 3.766 7.645 1.00 1.50 C ATOM 1262 NE ARG A 83 73.581 4.643 8.838 1.00 1.75 N ATOM 1263 CZ ARG A 83 74.479 4.368 9.744 1.00 2.02 C ATOM 1264 NH1 ARG A 83 74.186 3.564 10.729 1.00 2.58 N ATOM 1265 NH2 ARG A 83 75.670 4.895 9.663 1.00 2.44 N ATOM 0 H ARG A 83 72.775 -0.551 5.695 1.00 0.84 H new ATOM 0 HA ARG A 83 74.341 -0.277 8.188 1.00 0.93 H new ATOM 0 HB2 ARG A 83 74.264 1.520 6.511 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.518 1.424 6.397 1.00 0.95 H new ATOM 0 HG2 ARG A 83 72.245 2.284 8.677 1.00 1.53 H new ATOM 0 HG3 ARG A 83 73.965 2.159 8.989 1.00 1.53 H new ATOM 0 HD2 ARG A 83 74.318 3.811 7.010 1.00 1.50 H new ATOM 0 HD3 ARG A 83 72.585 4.072 7.032 1.00 1.50 H new ATOM 0 HE ARG A 83 72.980 5.460 8.948 1.00 1.75 H new ATOM 0 HH11 ARG A 83 73.255 3.151 10.791 1.00 2.58 H new ATOM 0 HH12 ARG A 83 74.888 3.349 11.437 1.00 2.58 H new ATOM 0 HH21 ARG A 83 75.899 5.522 8.892 1.00 2.44 H new ATOM 0 HH22 ARG A 83 76.372 4.680 10.371 1.00 2.44 H new ATOM 1279 N CYS A 84 71.131 -0.695 8.299 1.00 0.81 N ATOM 1280 CA CYS A 84 70.010 -0.888 9.263 1.00 0.94 C ATOM 1281 C CYS A 84 69.806 -2.379 9.543 1.00 1.01 C ATOM 1282 O CYS A 84 69.128 -2.758 10.477 1.00 1.67 O ATOM 1283 CB CYS A 84 68.782 -0.301 8.566 1.00 1.20 C ATOM 1284 SG CYS A 84 69.107 1.424 8.123 1.00 1.56 S ATOM 0 H CYS A 84 70.916 -0.932 7.330 1.00 0.81 H new ATOM 0 HA CYS A 84 70.202 -0.407 10.222 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.547 -0.879 7.672 1.00 1.20 H new ATOM 0 HB3 CYS A 84 67.914 -0.362 9.223 1.00 1.20 H new ATOM 0 HG CYS A 84 69.529 1.485 6.895 1.00 1.56 H new ATOM 1290 N MET A 85 70.389 -3.228 8.741 1.00 1.25 N ATOM 1291 CA MET A 85 70.228 -4.694 8.963 1.00 1.43 C ATOM 1292 C MET A 85 70.585 -5.052 10.407 1.00 1.78 C ATOM 1293 O MET A 85 69.999 -5.936 11.000 1.00 2.66 O ATOM 1294 CB MET A 85 71.205 -5.351 7.988 1.00 1.49 C ATOM 1295 CG MET A 85 70.425 -6.054 6.877 1.00 1.71 C ATOM 1296 SD MET A 85 70.831 -7.817 6.873 1.00 1.93 S ATOM 1297 CE MET A 85 70.338 -8.159 5.165 1.00 1.59 C ATOM 0 H MET A 85 70.969 -2.971 7.943 1.00 1.25 H new ATOM 0 HA MET A 85 69.203 -5.028 8.799 1.00 1.43 H new ATOM 0 HB2 MET A 85 71.869 -4.599 7.561 1.00 1.49 H new ATOM 0 HB3 MET A 85 71.833 -6.069 8.515 1.00 1.49 H new ATOM 0 HG2 MET A 85 69.354 -5.917 7.028 1.00 1.71 H new ATOM 0 HG3 MET A 85 70.670 -5.612 5.911 1.00 1.71 H new ATOM 0 HE1 MET A 85 70.507 -9.212 4.942 1.00 1.59 H new ATOM 0 HE2 MET A 85 69.281 -7.926 5.038 1.00 1.59 H new ATOM 0 HE3 MET A 85 70.929 -7.545 4.486 1.00 1.59 H new