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= -0.517 X(o=-0.44,f=-0.51) USER MOD Set 1.2: A 84 CYS SG : rot -50:sc= 0.0754! USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= -0.101 (180deg=-1.18) USER MOD Single : A 11 GLN : amide:sc=-0.00877 K(o=-0.0088,f=-1.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 16 GLN : amide:sc= -0.622 K(o=-0.62,f=-3.2!) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00919) USER MOD Single : A 18 ASN : amide:sc= -0.149 K(o=-0.15,f=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 32:sc= -1.34 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00735 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 -119:sc= -0.118 (180deg=-1.81!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 1.01 K(o=1,f=-0.047) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.3!) USER MOD Single : A 60 MET CE :methyl -159:sc= -0.116 (180deg=-0.988) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 21:sc= 0.351! USER MOD Single : A 80 MET CE :methyl 146:sc= -1.34 (180deg=-3.09) USER MOD Single : A 81 MET CE :methyl -129:sc= 0 (180deg=-1.87) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 82.287 1.387 4.739 1.00 0.90 N ATOM 45 CA ILE A 4 81.819 0.008 5.056 1.00 0.89 C ATOM 46 C ILE A 4 80.685 -0.390 4.106 1.00 0.82 C ATOM 47 O ILE A 4 80.427 -1.556 3.884 1.00 0.85 O ATOM 48 CB ILE A 4 81.322 0.072 6.504 1.00 0.85 C ATOM 49 CG1 ILE A 4 79.945 0.741 6.550 1.00 1.02 C ATOM 50 CG2 ILE A 4 82.306 0.882 7.350 1.00 0.75 C ATOM 51 CD1 ILE A 4 78.858 -0.335 6.546 1.00 1.74 C ATOM 0 HA ILE A 4 82.608 -0.735 4.938 1.00 0.89 H new ATOM 0 HB ILE A 4 81.247 -0.941 6.900 1.00 0.85 H new ATOM 0 HG12 ILE A 4 79.858 1.358 7.444 1.00 1.02 H new ATOM 0 HG13 ILE A 4 79.821 1.402 5.693 1.00 1.02 H new ATOM 0 HG21 ILE A 4 81.950 0.926 8.379 1.00 0.75 H new ATOM 0 HG22 ILE A 4 83.286 0.405 7.325 1.00 0.75 H new ATOM 0 HG23 ILE A 4 82.384 1.893 6.949 1.00 0.75 H new ATOM 0 HD11 ILE A 4 77.877 0.139 6.579 1.00 1.74 H new ATOM 0 HD12 ILE A 4 78.942 -0.934 5.639 1.00 1.74 H new ATOM 0 HD13 ILE A 4 78.980 -0.978 7.418 1.00 1.74 H new ATOM 63 N TYR A 5 80.008 0.575 3.541 1.00 0.78 N ATOM 64 CA TYR A 5 78.893 0.255 2.603 1.00 0.78 C ATOM 65 C TYR A 5 79.421 -0.572 1.428 1.00 0.92 C ATOM 66 O TYR A 5 78.754 -1.458 0.931 1.00 0.99 O ATOM 67 CB TYR A 5 78.379 1.614 2.118 1.00 0.78 C ATOM 68 CG TYR A 5 78.147 2.522 3.304 1.00 0.92 C ATOM 69 CD1 TYR A 5 77.866 1.976 4.562 1.00 1.77 C ATOM 70 CD2 TYR A 5 78.214 3.912 3.145 1.00 1.31 C ATOM 71 CE1 TYR A 5 77.652 2.818 5.660 1.00 2.00 C ATOM 72 CE2 TYR A 5 77.999 4.754 4.244 1.00 1.36 C ATOM 73 CZ TYR A 5 77.718 4.206 5.502 1.00 1.35 C ATOM 74 OH TYR A 5 77.509 5.034 6.585 1.00 1.60 O ATOM 0 H TYR A 5 80.179 1.570 3.689 1.00 0.78 H new ATOM 0 HA TYR A 5 78.105 -0.330 3.077 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.101 2.065 1.438 1.00 0.78 H new ATOM 0 HB3 TYR A 5 77.452 1.485 1.559 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.814 0.904 4.686 1.00 1.77 H new ATOM 0 HD2 TYR A 5 78.431 4.335 2.175 1.00 1.31 H new ATOM 0 HE1 TYR A 5 77.436 2.395 6.630 1.00 2.00 H new ATOM 0 HE2 TYR A 5 78.050 5.826 4.121 1.00 1.36 H new ATOM 0 HH TYR A 5 77.592 5.969 6.303 1.00 1.60 H new ATOM 84 N LYS A 6 80.616 -0.291 0.983 1.00 1.02 N ATOM 85 CA LYS A 6 81.188 -1.064 -0.157 1.00 1.19 C ATOM 86 C LYS A 6 81.202 -2.557 0.181 1.00 1.15 C ATOM 87 O LYS A 6 80.764 -3.384 -0.594 1.00 1.19 O ATOM 88 CB LYS A 6 82.614 -0.536 -0.318 1.00 1.38 C ATOM 89 CG LYS A 6 83.258 -1.169 -1.553 1.00 1.86 C ATOM 90 CD LYS A 6 84.404 -0.281 -2.043 1.00 1.94 C ATOM 91 CE LYS A 6 84.979 -0.855 -3.339 1.00 2.16 C ATOM 92 NZ LYS A 6 85.434 -2.228 -2.982 1.00 2.91 N ATOM 0 H LYS A 6 81.220 0.440 1.359 1.00 1.02 H new ATOM 0 HA LYS A 6 80.607 -0.948 -1.072 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.602 0.549 -0.417 1.00 1.38 H new ATOM 0 HB3 LYS A 6 83.201 -0.768 0.570 1.00 1.38 H new ATOM 0 HG2 LYS A 6 83.632 -2.164 -1.311 1.00 1.86 H new ATOM 0 HG3 LYS A 6 82.515 -1.291 -2.342 1.00 1.86 H new ATOM 0 HD2 LYS A 6 84.045 0.734 -2.211 1.00 1.94 H new ATOM 0 HD3 LYS A 6 85.183 -0.222 -1.282 1.00 1.94 H new ATOM 0 HE2 LYS A 6 84.227 -0.881 -4.128 1.00 2.16 H new ATOM 0 HE3 LYS A 6 85.806 -0.248 -3.707 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 86.303 -2.453 -3.507 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 85.624 -2.276 -1.961 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 84.693 -2.915 -3.229 1.00 2.91 H new ATOM 106 N ALA A 7 81.701 -2.906 1.335 1.00 1.13 N ATOM 107 CA ALA A 7 81.742 -4.344 1.726 1.00 1.14 C ATOM 108 C ALA A 7 80.323 -4.858 1.982 1.00 1.06 C ATOM 109 O ALA A 7 80.042 -6.031 1.842 1.00 1.10 O ATOM 110 CB ALA A 7 82.566 -4.381 3.012 1.00 1.20 C ATOM 0 H ALA A 7 82.082 -2.258 2.024 1.00 1.13 H new ATOM 0 HA ALA A 7 82.174 -4.974 0.948 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.643 -5.409 3.365 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.564 -3.989 2.816 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.080 -3.771 3.773 1.00 1.20 H new ATOM 116 N ALA A 8 79.424 -3.987 2.355 1.00 0.99 N ATOM 117 CA ALA A 8 78.024 -4.425 2.616 1.00 0.95 C ATOM 118 C ALA A 8 77.485 -5.201 1.413 1.00 0.95 C ATOM 119 O ALA A 8 77.098 -6.348 1.523 1.00 1.02 O ATOM 120 CB ALA A 8 77.233 -3.132 2.820 1.00 0.91 C ATOM 0 H ALA A 8 79.599 -2.991 2.490 1.00 0.99 H new ATOM 0 HA ALA A 8 77.951 -5.085 3.481 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.188 -3.372 3.018 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.646 -2.583 3.666 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.300 -2.519 1.921 1.00 0.91 H new ATOM 126 N VAL A 9 77.460 -4.586 0.263 1.00 0.97 N ATOM 127 CA VAL A 9 76.950 -5.288 -0.948 1.00 1.07 C ATOM 128 C VAL A 9 77.919 -6.400 -1.361 1.00 1.16 C ATOM 129 O VAL A 9 77.577 -7.285 -2.119 1.00 1.18 O ATOM 130 CB VAL A 9 76.878 -4.210 -2.029 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.352 -4.824 -3.328 1.00 1.89 C ATOM 132 CG2 VAL A 9 75.933 -3.095 -1.574 1.00 1.49 C ATOM 0 H VAL A 9 77.771 -3.627 0.110 1.00 0.97 H new ATOM 0 HA VAL A 9 75.982 -5.758 -0.777 1.00 1.07 H new ATOM 0 HB VAL A 9 77.873 -3.798 -2.198 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.301 -4.055 -4.099 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.023 -5.619 -3.653 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.357 -5.236 -3.159 1.00 1.89 H new ATOM 0 HG21 VAL A 9 75.881 -2.325 -2.344 1.00 1.49 H new ATOM 0 HG22 VAL A 9 74.938 -3.507 -1.405 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.306 -2.657 -0.648 1.00 1.49 H new ATOM 142 N GLU A 10 79.127 -6.358 -0.867 1.00 1.28 N ATOM 143 CA GLU A 10 80.118 -7.411 -1.231 1.00 1.44 C ATOM 144 C GLU A 10 79.827 -8.700 -0.456 1.00 1.41 C ATOM 145 O GLU A 10 80.100 -9.789 -0.920 1.00 1.54 O ATOM 146 CB GLU A 10 81.475 -6.835 -0.824 1.00 1.68 C ATOM 147 CG GLU A 10 82.507 -7.139 -1.912 1.00 2.16 C ATOM 148 CD GLU A 10 82.595 -5.954 -2.877 1.00 2.64 C ATOM 149 OE1 GLU A 10 82.524 -4.830 -2.410 1.00 3.13 O ATOM 150 OE2 GLU A 10 82.733 -6.193 -4.065 1.00 3.13 O ATOM 0 H GLU A 10 79.470 -5.641 -0.228 1.00 1.28 H new ATOM 0 HA GLU A 10 80.084 -7.663 -2.291 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.395 -5.758 -0.675 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.794 -7.265 0.125 1.00 1.68 H new ATOM 0 HG2 GLU A 10 83.481 -7.328 -1.461 1.00 2.16 H new ATOM 0 HG3 GLU A 10 82.225 -8.042 -2.453 1.00 2.16 H new ATOM 157 N GLN A 11 79.275 -8.584 0.720 1.00 1.37 N ATOM 158 CA GLN A 11 78.967 -9.802 1.522 1.00 1.43 C ATOM 159 C GLN A 11 77.763 -10.538 0.928 1.00 1.24 C ATOM 160 O GLN A 11 77.660 -11.746 1.008 1.00 1.31 O ATOM 161 CB GLN A 11 78.639 -9.282 2.923 1.00 1.58 C ATOM 162 CG GLN A 11 79.926 -8.826 3.611 1.00 1.88 C ATOM 163 CD GLN A 11 79.621 -8.426 5.056 1.00 2.09 C ATOM 164 OE1 GLN A 11 78.736 -8.979 5.678 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.322 -7.480 5.619 1.00 2.48 N ATOM 0 H GLN A 11 79.024 -7.699 1.160 1.00 1.37 H new ATOM 0 HA GLN A 11 79.797 -10.509 1.533 1.00 1.43 H new ATOM 0 HB2 GLN A 11 77.935 -8.453 2.859 1.00 1.58 H new ATOM 0 HB3 GLN A 11 78.158 -10.065 3.510 1.00 1.58 H new ATOM 0 HG2 GLN A 11 80.664 -9.628 3.593 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.359 -7.983 3.073 1.00 1.88 H new ATOM 0 HE21 GLN A 11 81.065 -7.016 5.096 1.00 2.48 H new ATOM 0 HE22 GLN A 11 80.127 -7.205 6.582 1.00 2.48 H new ATOM 174 N LEU A 12 76.852 -9.819 0.330 1.00 1.24 N ATOM 175 CA LEU A 12 75.657 -10.479 -0.270 1.00 1.13 C ATOM 176 C LEU A 12 76.038 -11.172 -1.581 1.00 1.02 C ATOM 177 O LEU A 12 76.846 -10.679 -2.342 1.00 1.28 O ATOM 178 CB LEU A 12 74.666 -9.343 -0.529 1.00 1.12 C ATOM 179 CG LEU A 12 74.348 -8.634 0.788 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.535 -7.369 0.505 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.535 -9.571 1.685 1.00 1.49 C ATOM 0 H LEU A 12 76.883 -8.804 0.231 1.00 1.24 H new ATOM 0 HA LEU A 12 75.236 -11.245 0.382 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.086 -8.635 -1.243 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.752 -9.738 -0.972 1.00 1.12 H new ATOM 0 HG LEU A 12 75.278 -8.363 1.289 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.309 -6.864 1.444 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.111 -6.702 -0.136 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.605 -7.639 0.005 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.307 -9.068 2.625 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.606 -9.840 1.183 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.113 -10.473 1.887 1.00 1.49 H new ATOM 193 N THR A 13 75.462 -12.311 -1.850 1.00 0.93 N ATOM 194 CA THR A 13 75.792 -13.036 -3.111 1.00 0.93 C ATOM 195 C THR A 13 74.815 -12.641 -4.220 1.00 0.88 C ATOM 196 O THR A 13 73.801 -12.019 -3.975 1.00 0.86 O ATOM 197 CB THR A 13 75.642 -14.518 -2.765 1.00 1.03 C ATOM 198 OG1 THR A 13 74.725 -14.660 -1.688 1.00 1.13 O ATOM 199 CG2 THR A 13 77.000 -15.091 -2.361 1.00 1.20 C ATOM 0 H THR A 13 74.777 -12.772 -1.251 1.00 0.93 H new ATOM 0 HA THR A 13 76.793 -12.801 -3.473 1.00 0.93 H new ATOM 0 HB THR A 13 75.269 -15.058 -3.635 1.00 1.03 H new ATOM 0 HG1 THR A 13 74.626 -15.609 -1.466 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.891 -16.147 -2.115 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.702 -14.982 -3.188 1.00 1.20 H new ATOM 0 HG23 THR A 13 77.378 -14.553 -1.491 1.00 1.20 H new ATOM 207 N GLU A 14 75.111 -13.000 -5.440 1.00 0.88 N ATOM 208 CA GLU A 14 74.196 -12.644 -6.563 1.00 0.87 C ATOM 209 C GLU A 14 72.766 -13.087 -6.242 1.00 0.82 C ATOM 210 O GLU A 14 71.810 -12.585 -6.799 1.00 0.79 O ATOM 211 CB GLU A 14 74.736 -13.410 -7.773 1.00 0.99 C ATOM 212 CG GLU A 14 74.369 -12.661 -9.056 1.00 1.98 C ATOM 213 CD GLU A 14 75.267 -13.135 -10.199 1.00 2.36 C ATOM 214 OE1 GLU A 14 76.423 -13.425 -9.936 1.00 3.17 O ATOM 215 OE2 GLU A 14 74.785 -13.200 -11.317 1.00 2.36 O ATOM 0 H GLU A 14 75.945 -13.523 -5.707 1.00 0.88 H new ATOM 0 HA GLU A 14 74.162 -11.569 -6.743 1.00 0.87 H new ATOM 0 HB2 GLU A 14 75.818 -13.515 -7.697 1.00 0.99 H new ATOM 0 HB3 GLU A 14 74.319 -14.417 -7.795 1.00 0.99 H new ATOM 0 HG2 GLU A 14 73.322 -12.836 -9.305 1.00 1.98 H new ATOM 0 HG3 GLU A 14 74.486 -11.587 -8.909 1.00 1.98 H new ATOM 222 N GLU A 15 72.612 -14.021 -5.344 1.00 0.85 N ATOM 223 CA GLU A 15 71.243 -14.492 -4.987 1.00 0.84 C ATOM 224 C GLU A 15 70.522 -13.435 -4.147 1.00 0.76 C ATOM 225 O GLU A 15 69.321 -13.276 -4.229 1.00 0.70 O ATOM 226 CB GLU A 15 71.461 -15.769 -4.173 1.00 0.92 C ATOM 227 CG GLU A 15 71.254 -16.989 -5.073 1.00 1.49 C ATOM 228 CD GLU A 15 72.168 -18.124 -4.613 1.00 1.88 C ATOM 229 OE1 GLU A 15 73.023 -17.871 -3.779 1.00 2.07 O ATOM 230 OE2 GLU A 15 71.999 -19.230 -5.100 1.00 2.62 O ATOM 0 H GLU A 15 73.373 -14.478 -4.842 1.00 0.85 H new ATOM 0 HA GLU A 15 70.626 -14.672 -5.867 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.467 -15.779 -3.755 1.00 0.92 H new ATOM 0 HB3 GLU A 15 70.766 -15.801 -3.334 1.00 0.92 H new ATOM 0 HG2 GLU A 15 70.213 -17.309 -5.036 1.00 1.49 H new ATOM 0 HG3 GLU A 15 71.471 -16.730 -6.109 1.00 1.49 H new ATOM 237 N GLN A 16 71.247 -12.707 -3.340 1.00 0.79 N ATOM 238 CA GLN A 16 70.602 -11.661 -2.498 1.00 0.74 C ATOM 239 C GLN A 16 70.324 -10.410 -3.337 1.00 0.68 C ATOM 240 O GLN A 16 69.318 -9.750 -3.171 1.00 0.67 O ATOM 241 CB GLN A 16 71.615 -11.354 -1.394 1.00 0.79 C ATOM 242 CG GLN A 16 71.111 -11.924 -0.067 1.00 0.88 C ATOM 243 CD GLN A 16 70.233 -10.885 0.633 1.00 1.70 C ATOM 244 OE1 GLN A 16 70.144 -9.754 0.198 1.00 2.53 O ATOM 245 NE2 GLN A 16 69.575 -11.223 1.709 1.00 2.20 N ATOM 0 H GLN A 16 72.257 -12.792 -3.228 1.00 0.79 H new ATOM 0 HA GLN A 16 69.647 -11.991 -2.089 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.584 -11.787 -1.644 1.00 0.79 H new ATOM 0 HB3 GLN A 16 71.760 -10.277 -1.308 1.00 0.79 H new ATOM 0 HG2 GLN A 16 70.542 -12.837 -0.244 1.00 0.88 H new ATOM 0 HG3 GLN A 16 71.954 -12.192 0.570 1.00 0.88 H new ATOM 0 HE21 GLN A 16 69.649 -12.172 2.075 1.00 2.20 H new ATOM 0 HE22 GLN A 16 68.987 -10.538 2.184 1.00 2.20 H new ATOM 254 N LYS A 17 71.209 -10.081 -4.239 1.00 0.69 N ATOM 255 CA LYS A 17 70.992 -8.876 -5.090 1.00 0.68 C ATOM 256 C LYS A 17 69.744 -9.064 -5.955 1.00 0.62 C ATOM 257 O LYS A 17 69.104 -8.111 -6.354 1.00 0.57 O ATOM 258 CB LYS A 17 72.242 -8.779 -5.965 1.00 0.79 C ATOM 259 CG LYS A 17 73.487 -8.745 -5.077 1.00 1.01 C ATOM 260 CD LYS A 17 74.203 -7.405 -5.254 1.00 1.53 C ATOM 261 CE LYS A 17 75.064 -7.449 -6.519 1.00 1.70 C ATOM 262 NZ LYS A 17 75.700 -6.104 -6.600 1.00 2.33 N ATOM 0 H LYS A 17 72.071 -10.594 -4.423 1.00 0.69 H new ATOM 0 HA LYS A 17 70.838 -7.973 -4.500 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.290 -9.630 -6.644 1.00 0.79 H new ATOM 0 HB3 LYS A 17 72.198 -7.881 -6.582 1.00 0.79 H new ATOM 0 HG2 LYS A 17 73.206 -8.884 -4.033 1.00 1.01 H new ATOM 0 HG3 LYS A 17 74.156 -9.564 -5.339 1.00 1.01 H new ATOM 0 HD2 LYS A 17 73.474 -6.598 -5.325 1.00 1.53 H new ATOM 0 HD3 LYS A 17 74.826 -7.196 -4.384 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.814 -8.237 -6.458 1.00 1.70 H new ATOM 0 HE3 LYS A 17 74.458 -7.653 -7.402 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 76.253 -6.034 -7.478 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 74.963 -5.371 -6.595 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 76.329 -5.968 -5.783 1.00 2.33 H new ATOM 276 N ASN A 18 69.394 -10.286 -6.249 1.00 0.65 N ATOM 277 CA ASN A 18 68.188 -10.536 -7.090 1.00 0.64 C ATOM 278 C ASN A 18 66.918 -10.390 -6.248 1.00 0.58 C ATOM 279 O ASN A 18 66.003 -9.675 -6.607 1.00 0.56 O ATOM 280 CB ASN A 18 68.342 -11.974 -7.586 1.00 0.73 C ATOM 281 CG ASN A 18 69.238 -11.994 -8.825 1.00 0.91 C ATOM 282 OD1 ASN A 18 69.479 -10.969 -9.432 1.00 1.55 O ATOM 283 ND2 ASN A 18 69.748 -13.126 -9.228 1.00 1.35 N ATOM 0 H ASN A 18 69.891 -11.123 -5.943 1.00 0.65 H new ATOM 0 HA ASN A 18 68.105 -9.828 -7.915 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.774 -12.596 -6.802 1.00 0.73 H new ATOM 0 HB3 ASN A 18 67.365 -12.394 -7.824 1.00 0.73 H new ATOM 0 HD21 ASN A 18 70.349 -13.150 -10.052 1.00 1.35 H new ATOM 0 HD22 ASN A 18 69.546 -13.986 -8.719 1.00 1.35 H new ATOM 290 N GLU A 19 66.852 -11.061 -5.130 1.00 0.62 N ATOM 291 CA GLU A 19 65.639 -10.956 -4.270 1.00 0.64 C ATOM 292 C GLU A 19 65.352 -9.489 -3.942 1.00 0.58 C ATOM 293 O GLU A 19 64.214 -9.077 -3.839 1.00 0.61 O ATOM 294 CB GLU A 19 65.981 -11.735 -3.000 1.00 0.75 C ATOM 295 CG GLU A 19 64.694 -12.065 -2.242 1.00 1.47 C ATOM 296 CD GLU A 19 64.920 -13.292 -1.357 1.00 2.01 C ATOM 297 OE1 GLU A 19 65.542 -13.141 -0.317 1.00 2.64 O ATOM 298 OE2 GLU A 19 64.467 -14.361 -1.733 1.00 2.50 O ATOM 0 H GLU A 19 67.584 -11.676 -4.776 1.00 0.62 H new ATOM 0 HA GLU A 19 64.750 -11.352 -4.760 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.511 -12.653 -3.255 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.647 -11.147 -2.368 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.391 -11.214 -1.631 1.00 1.47 H new ATOM 0 HG3 GLU A 19 63.884 -12.256 -2.946 1.00 1.47 H new ATOM 305 N PHE A 20 66.377 -8.697 -3.779 1.00 0.58 N ATOM 306 CA PHE A 20 66.161 -7.256 -3.463 1.00 0.59 C ATOM 307 C PHE A 20 65.724 -6.504 -4.721 1.00 0.53 C ATOM 308 O PHE A 20 64.859 -5.652 -4.679 1.00 0.54 O ATOM 309 CB PHE A 20 67.519 -6.749 -2.974 1.00 0.67 C ATOM 310 CG PHE A 20 67.441 -6.451 -1.495 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.514 -5.517 -1.016 1.00 1.87 C ATOM 312 CD2 PHE A 20 68.296 -7.110 -0.603 1.00 1.85 C ATOM 313 CE1 PHE A 20 66.441 -5.242 0.354 1.00 2.57 C ATOM 314 CE2 PHE A 20 68.223 -6.835 0.768 1.00 2.52 C ATOM 315 CZ PHE A 20 67.296 -5.902 1.247 1.00 2.67 C ATOM 0 H PHE A 20 67.353 -8.985 -3.851 1.00 0.58 H new ATOM 0 HA PHE A 20 65.381 -7.106 -2.716 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.289 -7.496 -3.165 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.803 -5.851 -3.523 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.855 -5.009 -1.704 1.00 1.87 H new ATOM 0 HD2 PHE A 20 69.011 -7.830 -0.972 1.00 1.85 H new ATOM 0 HE1 PHE A 20 65.726 -4.521 0.723 1.00 2.57 H new ATOM 0 HE2 PHE A 20 68.882 -7.343 1.456 1.00 2.52 H new ATOM 0 HZ PHE A 20 67.240 -5.691 2.305 1.00 2.67 H new ATOM 325 N LYS A 21 66.312 -6.817 -5.843 1.00 0.53 N ATOM 326 CA LYS A 21 65.927 -6.123 -7.105 1.00 0.53 C ATOM 327 C LYS A 21 64.449 -6.383 -7.416 1.00 0.50 C ATOM 328 O LYS A 21 63.743 -5.517 -7.893 1.00 0.63 O ATOM 329 CB LYS A 21 66.824 -6.738 -8.184 1.00 0.61 C ATOM 330 CG LYS A 21 66.228 -6.465 -9.568 1.00 0.68 C ATOM 331 CD LYS A 21 67.284 -6.728 -10.642 1.00 1.26 C ATOM 332 CE LYS A 21 67.063 -5.775 -11.818 1.00 1.85 C ATOM 333 NZ LYS A 21 68.152 -6.095 -12.783 1.00 1.94 N ATOM 0 H LYS A 21 67.042 -7.523 -5.941 1.00 0.53 H new ATOM 0 HA LYS A 21 66.053 -5.042 -7.042 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.827 -6.317 -8.120 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.918 -7.812 -8.023 1.00 0.61 H new ATOM 0 HG2 LYS A 21 65.360 -7.103 -9.733 1.00 0.68 H new ATOM 0 HG3 LYS A 21 65.882 -5.433 -9.629 1.00 0.68 H new ATOM 0 HD2 LYS A 21 68.282 -6.587 -10.228 1.00 1.26 H new ATOM 0 HD3 LYS A 21 67.223 -7.762 -10.982 1.00 1.26 H new ATOM 0 HE2 LYS A 21 66.081 -5.924 -12.267 1.00 1.85 H new ATOM 0 HE3 LYS A 21 67.113 -4.734 -11.498 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 68.067 -5.481 -13.618 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 69.075 -5.938 -12.330 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 68.075 -7.090 -13.076 1.00 1.94 H new ATOM 347 N ALA A 22 63.979 -7.570 -7.148 1.00 0.51 N ATOM 348 CA ALA A 22 62.548 -7.887 -7.426 1.00 0.60 C ATOM 349 C ALA A 22 61.636 -7.050 -6.526 1.00 0.51 C ATOM 350 O ALA A 22 60.434 -7.021 -6.699 1.00 0.50 O ATOM 351 CB ALA A 22 62.404 -9.374 -7.105 1.00 0.76 C ATOM 0 H ALA A 22 64.523 -8.335 -6.749 1.00 0.51 H new ATOM 0 HA ALA A 22 62.267 -7.664 -8.455 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.375 -9.687 -7.284 1.00 0.76 H new ATOM 0 HB2 ALA A 22 63.075 -9.950 -7.742 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.659 -9.547 -6.059 1.00 0.76 H new ATOM 357 N ALA A 23 62.198 -6.367 -5.566 1.00 0.51 N ATOM 358 CA ALA A 23 61.362 -5.532 -4.656 1.00 0.47 C ATOM 359 C ALA A 23 61.656 -4.046 -4.881 1.00 0.43 C ATOM 360 O ALA A 23 60.836 -3.193 -4.607 1.00 0.46 O ATOM 361 CB ALA A 23 61.775 -5.950 -3.244 1.00 0.58 C ATOM 0 H ALA A 23 63.199 -6.351 -5.372 1.00 0.51 H new ATOM 0 HA ALA A 23 60.295 -5.675 -4.829 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.203 -5.379 -2.513 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.579 -7.013 -3.107 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.838 -5.756 -3.104 1.00 0.58 H new ATOM 367 N PHE A 24 62.821 -3.731 -5.378 1.00 0.54 N ATOM 368 CA PHE A 24 63.167 -2.301 -5.618 1.00 0.56 C ATOM 369 C PHE A 24 62.545 -1.818 -6.932 1.00 0.56 C ATOM 370 O PHE A 24 61.959 -0.756 -6.998 1.00 0.60 O ATOM 371 CB PHE A 24 64.692 -2.274 -5.706 1.00 0.66 C ATOM 372 CG PHE A 24 65.148 -0.894 -6.119 1.00 0.60 C ATOM 373 CD1 PHE A 24 65.220 -0.559 -7.477 1.00 1.24 C ATOM 374 CD2 PHE A 24 65.496 0.049 -5.146 1.00 1.45 C ATOM 375 CE1 PHE A 24 65.642 0.720 -7.860 1.00 1.24 C ATOM 376 CE2 PHE A 24 65.918 1.328 -5.529 1.00 1.61 C ATOM 377 CZ PHE A 24 65.990 1.663 -6.886 1.00 0.94 C ATOM 0 H PHE A 24 63.548 -4.402 -5.628 1.00 0.54 H new ATOM 0 HA PHE A 24 62.791 -1.647 -4.831 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.127 -2.539 -4.743 1.00 0.66 H new ATOM 0 HB3 PHE A 24 65.039 -3.014 -6.427 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.950 -1.287 -8.228 1.00 1.24 H new ATOM 0 HD2 PHE A 24 65.439 -0.210 -4.099 1.00 1.45 H new ATOM 0 HE1 PHE A 24 65.699 0.979 -8.907 1.00 1.24 H new ATOM 0 HE2 PHE A 24 66.188 2.056 -4.778 1.00 1.61 H new ATOM 0 HZ PHE A 24 66.314 2.650 -7.182 1.00 0.94 H new ATOM 387 N ASP A 25 62.671 -2.588 -7.977 1.00 0.58 N ATOM 388 CA ASP A 25 62.090 -2.171 -9.286 1.00 0.64 C ATOM 389 C ASP A 25 60.566 -2.065 -9.182 1.00 0.66 C ATOM 390 O ASP A 25 59.943 -1.274 -9.862 1.00 0.76 O ATOM 391 CB ASP A 25 62.484 -3.279 -10.264 1.00 0.68 C ATOM 392 CG ASP A 25 62.101 -2.865 -11.686 1.00 1.05 C ATOM 393 OD1 ASP A 25 62.413 -1.746 -12.060 1.00 1.78 O ATOM 394 OD2 ASP A 25 61.502 -3.673 -12.376 1.00 1.58 O ATOM 0 H ASP A 25 63.151 -3.488 -7.982 1.00 0.58 H new ATOM 0 HA ASP A 25 62.454 -1.194 -9.606 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.556 -3.466 -10.205 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.983 -4.209 -9.997 1.00 0.68 H new ATOM 399 N ILE A 26 59.962 -2.855 -8.338 1.00 0.61 N ATOM 400 CA ILE A 26 58.478 -2.797 -8.196 1.00 0.67 C ATOM 401 C ILE A 26 58.046 -1.417 -7.691 1.00 0.73 C ATOM 402 O ILE A 26 56.880 -1.076 -7.714 1.00 0.99 O ATOM 403 CB ILE A 26 58.137 -3.872 -7.168 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.521 -5.245 -7.729 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.634 -3.834 -6.876 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.855 -6.344 -6.901 1.00 0.84 C ATOM 0 H ILE A 26 60.430 -3.537 -7.741 1.00 0.61 H new ATOM 0 HA ILE A 26 57.967 -2.962 -9.145 1.00 0.67 H new ATOM 0 HB ILE A 26 58.688 -3.691 -6.245 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.211 -5.323 -8.771 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.604 -5.367 -7.709 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.386 -4.601 -6.142 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.365 -2.854 -6.482 1.00 0.83 H new ATOM 0 HG23 ILE A 26 56.080 -4.020 -7.796 1.00 0.83 H new ATOM 0 HD11 ILE A 26 58.130 -7.319 -7.303 1.00 0.84 H new ATOM 0 HD12 ILE A 26 58.187 -6.271 -5.865 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.772 -6.226 -6.944 1.00 0.84 H new ATOM 418 N PHE A 27 58.975 -0.622 -7.234 1.00 0.57 N ATOM 419 CA PHE A 27 58.613 0.732 -6.728 1.00 0.63 C ATOM 420 C PHE A 27 59.598 1.779 -7.255 1.00 0.59 C ATOM 421 O PHE A 27 59.947 2.718 -6.567 1.00 0.67 O ATOM 422 CB PHE A 27 58.708 0.623 -5.206 1.00 0.70 C ATOM 423 CG PHE A 27 57.654 -0.335 -4.705 1.00 0.67 C ATOM 424 CD1 PHE A 27 57.882 -1.715 -4.762 1.00 1.17 C ATOM 425 CD2 PHE A 27 56.451 0.155 -4.186 1.00 1.44 C ATOM 426 CE1 PHE A 27 56.906 -2.605 -4.300 1.00 1.20 C ATOM 427 CE2 PHE A 27 55.473 -0.735 -3.724 1.00 1.65 C ATOM 428 CZ PHE A 27 55.701 -2.115 -3.781 1.00 1.09 C ATOM 0 H PHE A 27 59.968 -0.852 -7.189 1.00 0.57 H new ATOM 0 HA PHE A 27 57.620 1.042 -7.054 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.699 0.274 -4.917 1.00 0.70 H new ATOM 0 HB3 PHE A 27 58.570 1.604 -4.751 1.00 0.70 H new ATOM 0 HD1 PHE A 27 58.811 -2.093 -5.163 1.00 1.17 H new ATOM 0 HD2 PHE A 27 56.276 1.220 -4.141 1.00 1.44 H new ATOM 0 HE1 PHE A 27 57.082 -3.670 -4.344 1.00 1.20 H new ATOM 0 HE2 PHE A 27 54.544 -0.357 -3.324 1.00 1.65 H new ATOM 0 HZ PHE A 27 54.948 -2.802 -3.425 1.00 1.09 H new ATOM 438 N VAL A 28 60.045 1.627 -8.470 1.00 0.58 N ATOM 439 CA VAL A 28 61.004 2.617 -9.040 1.00 0.59 C ATOM 440 C VAL A 28 60.257 3.650 -9.879 1.00 0.64 C ATOM 441 O VAL A 28 60.796 4.670 -10.262 1.00 0.73 O ATOM 442 CB VAL A 28 61.957 1.792 -9.906 1.00 0.60 C ATOM 443 CG1 VAL A 28 61.270 1.420 -11.223 1.00 1.41 C ATOM 444 CG2 VAL A 28 63.217 2.609 -10.201 1.00 1.37 C ATOM 0 H VAL A 28 59.789 0.861 -9.093 1.00 0.58 H new ATOM 0 HA VAL A 28 61.539 3.170 -8.268 1.00 0.59 H new ATOM 0 HB VAL A 28 62.229 0.881 -9.372 1.00 0.60 H new ATOM 0 HG11 VAL A 28 61.953 0.832 -11.836 1.00 1.41 H new ATOM 0 HG12 VAL A 28 60.375 0.834 -11.014 1.00 1.41 H new ATOM 0 HG13 VAL A 28 60.992 2.328 -11.758 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.896 2.021 -10.818 1.00 1.37 H new ATOM 0 HG22 VAL A 28 62.943 3.521 -10.731 1.00 1.37 H new ATOM 0 HG23 VAL A 28 63.710 2.868 -9.264 1.00 1.37 H new ATOM 454 N LEU A 29 59.019 3.384 -10.155 1.00 0.75 N ATOM 455 CA LEU A 29 58.197 4.332 -10.966 1.00 0.91 C ATOM 456 C LEU A 29 59.037 4.941 -12.092 1.00 1.10 C ATOM 457 O LEU A 29 59.013 6.134 -12.321 1.00 1.54 O ATOM 458 CB LEU A 29 57.756 5.413 -9.979 1.00 1.17 C ATOM 459 CG LEU A 29 57.254 4.754 -8.693 1.00 1.49 C ATOM 460 CD1 LEU A 29 58.144 5.171 -7.521 1.00 2.09 C ATOM 461 CD2 LEU A 29 55.815 5.199 -8.421 1.00 1.73 C ATOM 0 H LEU A 29 58.529 2.542 -9.853 1.00 0.75 H new ATOM 0 HA LEU A 29 57.348 3.839 -11.440 1.00 0.91 H new ATOM 0 HB2 LEU A 29 58.589 6.080 -9.757 1.00 1.17 H new ATOM 0 HB3 LEU A 29 56.968 6.023 -10.420 1.00 1.17 H new ATOM 0 HG LEU A 29 57.287 3.670 -8.806 1.00 1.49 H new ATOM 0 HD11 LEU A 29 57.785 4.700 -6.606 1.00 2.09 H new ATOM 0 HD12 LEU A 29 59.170 4.855 -7.713 1.00 2.09 H new ATOM 0 HD13 LEU A 29 58.113 6.255 -7.408 1.00 2.09 H new ATOM 0 HD21 LEU A 29 55.456 4.730 -7.505 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.784 6.283 -8.310 1.00 1.73 H new ATOM 0 HD23 LEU A 29 55.178 4.901 -9.254 1.00 1.73 H new ATOM 473 N GLY A 30 59.779 4.131 -12.798 1.00 1.47 N ATOM 474 CA GLY A 30 60.618 4.666 -13.907 1.00 1.89 C ATOM 475 C GLY A 30 61.516 5.783 -13.375 1.00 1.94 C ATOM 476 O GLY A 30 62.638 5.551 -12.969 1.00 2.46 O ATOM 0 H GLY A 30 59.840 3.123 -12.654 1.00 1.47 H new ATOM 0 HA2 GLY A 30 61.226 3.869 -14.334 1.00 1.89 H new ATOM 0 HA3 GLY A 30 59.983 5.046 -14.707 1.00 1.89 H new ATOM 480 N ALA A 31 61.033 6.995 -13.374 1.00 1.89 N ATOM 481 CA ALA A 31 61.853 8.124 -12.872 1.00 2.14 C ATOM 482 C ALA A 31 63.129 8.247 -13.702 1.00 2.28 C ATOM 483 O ALA A 31 63.116 8.117 -14.910 1.00 2.46 O ATOM 484 CB ALA A 31 62.172 7.759 -11.422 1.00 1.97 C ATOM 0 H ALA A 31 60.101 7.249 -13.702 1.00 1.89 H new ATOM 0 HA ALA A 31 61.340 9.083 -12.941 1.00 2.14 H new ATOM 0 HB1 ALA A 31 62.779 8.546 -10.974 1.00 1.97 H new ATOM 0 HB2 ALA A 31 61.244 7.653 -10.861 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.721 6.818 -11.396 1.00 1.97 H new ATOM 490 N GLU A 32 64.227 8.498 -13.060 1.00 2.73 N ATOM 491 CA GLU A 32 65.515 8.634 -13.799 1.00 2.98 C ATOM 492 C GLU A 32 65.920 7.291 -14.412 1.00 2.33 C ATOM 493 O GLU A 32 65.877 7.110 -15.613 1.00 2.34 O ATOM 494 CB GLU A 32 66.533 9.073 -12.745 1.00 3.71 C ATOM 495 CG GLU A 32 66.966 10.514 -13.026 1.00 4.48 C ATOM 496 CD GLU A 32 68.451 10.675 -12.696 1.00 5.14 C ATOM 497 OE1 GLU A 32 69.185 9.718 -12.878 1.00 5.38 O ATOM 498 OE2 GLU A 32 68.828 11.753 -12.266 1.00 5.71 O ATOM 0 H GLU A 32 64.294 8.616 -12.049 1.00 2.73 H new ATOM 0 HA GLU A 32 65.446 9.348 -14.620 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.096 9.000 -11.749 1.00 3.71 H new ATOM 0 HB3 GLU A 32 67.399 8.411 -12.762 1.00 3.71 H new ATOM 0 HG2 GLU A 32 66.786 10.761 -14.072 1.00 4.48 H new ATOM 0 HG3 GLU A 32 66.373 11.206 -12.428 1.00 4.48 H new ATOM 505 N ASP A 33 66.314 6.346 -13.601 1.00 2.13 N ATOM 506 CA ASP A 33 66.719 5.021 -14.151 1.00 2.25 C ATOM 507 C ASP A 33 67.101 4.061 -13.020 1.00 1.67 C ATOM 508 O ASP A 33 68.263 3.803 -12.777 1.00 2.00 O ATOM 509 CB ASP A 33 67.933 5.315 -15.034 1.00 3.20 C ATOM 510 CG ASP A 33 67.652 4.842 -16.461 1.00 3.87 C ATOM 511 OD1 ASP A 33 66.489 4.709 -16.803 1.00 4.49 O ATOM 512 OD2 ASP A 33 68.606 4.619 -17.188 1.00 4.16 O ATOM 0 H ASP A 33 66.373 6.434 -12.586 1.00 2.13 H new ATOM 0 HA ASP A 33 65.911 4.545 -14.706 1.00 2.25 H new ATOM 0 HB2 ASP A 33 68.149 6.383 -15.030 1.00 3.20 H new ATOM 0 HB3 ASP A 33 68.814 4.810 -14.639 1.00 3.20 H new ATOM 517 N GLY A 34 66.131 3.522 -12.331 1.00 1.10 N ATOM 518 CA GLY A 34 66.443 2.572 -11.224 1.00 1.18 C ATOM 519 C GLY A 34 66.473 3.319 -9.889 1.00 0.92 C ATOM 520 O GLY A 34 67.323 3.081 -9.055 1.00 1.03 O ATOM 0 H GLY A 34 65.138 3.698 -12.486 1.00 1.10 H new ATOM 0 HA2 GLY A 34 65.694 1.780 -11.191 1.00 1.18 H new ATOM 0 HA3 GLY A 34 67.405 2.093 -11.404 1.00 1.18 H new ATOM 524 N CYS A 35 65.550 4.215 -9.675 1.00 0.78 N ATOM 525 CA CYS A 35 65.529 4.967 -8.388 1.00 0.68 C ATOM 526 C CYS A 35 64.095 5.078 -7.866 1.00 0.69 C ATOM 527 O CYS A 35 63.204 5.523 -8.562 1.00 0.89 O ATOM 528 CB CYS A 35 66.086 6.352 -8.724 1.00 0.78 C ATOM 529 SG CYS A 35 65.104 7.092 -10.053 1.00 1.27 S ATOM 0 H CYS A 35 64.811 4.459 -10.334 1.00 0.78 H new ATOM 0 HA CYS A 35 66.114 4.472 -7.612 1.00 0.68 H new ATOM 0 HB2 CYS A 35 66.061 6.990 -7.840 1.00 0.78 H new ATOM 0 HB3 CYS A 35 67.129 6.272 -9.030 1.00 0.78 H new ATOM 0 HG CYS A 35 63.872 6.689 -9.958 1.00 1.27 H new ATOM 535 N ILE A 36 63.865 4.678 -6.646 1.00 0.57 N ATOM 536 CA ILE A 36 62.486 4.763 -6.085 1.00 0.57 C ATOM 537 C ILE A 36 62.345 6.016 -5.216 1.00 0.50 C ATOM 538 O ILE A 36 63.313 6.689 -4.920 1.00 0.60 O ATOM 539 CB ILE A 36 62.322 3.499 -5.241 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.251 3.573 -4.026 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.682 2.273 -6.081 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.055 2.329 -3.157 1.00 0.75 C ATOM 0 H ILE A 36 64.569 4.297 -6.014 1.00 0.57 H new ATOM 0 HA ILE A 36 61.726 4.832 -6.864 1.00 0.57 H new ATOM 0 HB ILE A 36 61.288 3.419 -4.906 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.289 3.642 -4.352 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.039 4.471 -3.447 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.565 1.372 -5.479 1.00 0.72 H new ATOM 0 HG22 ILE A 36 62.022 2.219 -6.947 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.716 2.353 -6.417 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.716 2.381 -2.292 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.020 2.280 -2.820 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.289 1.438 -3.739 1.00 0.75 H new ATOM 554 N SER A 37 61.147 6.335 -4.810 1.00 0.54 N ATOM 555 CA SER A 37 60.946 7.547 -3.964 1.00 0.50 C ATOM 556 C SER A 37 61.077 7.185 -2.482 1.00 0.48 C ATOM 557 O SER A 37 60.534 6.202 -2.022 1.00 0.60 O ATOM 558 CB SER A 37 59.527 8.018 -4.279 1.00 0.55 C ATOM 559 OG SER A 37 59.555 8.855 -5.427 1.00 1.02 O ATOM 0 H SER A 37 60.299 5.810 -5.027 1.00 0.54 H new ATOM 0 HA SER A 37 61.686 8.321 -4.167 1.00 0.50 H new ATOM 0 HB2 SER A 37 58.877 7.161 -4.455 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.114 8.561 -3.429 1.00 0.55 H new ATOM 0 HG SER A 37 58.646 9.158 -5.633 1.00 1.02 H new ATOM 565 N THR A 38 61.796 7.975 -1.732 1.00 0.48 N ATOM 566 CA THR A 38 61.963 7.678 -0.279 1.00 0.53 C ATOM 567 C THR A 38 60.607 7.356 0.355 1.00 0.53 C ATOM 568 O THR A 38 60.507 6.537 1.248 1.00 0.59 O ATOM 569 CB THR A 38 62.543 8.957 0.323 1.00 0.64 C ATOM 570 OG1 THR A 38 61.647 10.035 0.091 1.00 0.62 O ATOM 571 CG2 THR A 38 63.894 9.264 -0.326 1.00 0.85 C ATOM 0 H THR A 38 62.275 8.813 -2.061 1.00 0.48 H new ATOM 0 HA THR A 38 62.608 6.816 -0.106 1.00 0.53 H new ATOM 0 HB THR A 38 62.682 8.823 1.396 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.016 10.856 0.478 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.306 10.177 0.105 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.580 8.436 -0.147 1.00 0.85 H new ATOM 0 HG23 THR A 38 63.760 9.398 -1.399 1.00 0.85 H new ATOM 579 N LYS A 39 59.563 7.993 -0.097 1.00 0.60 N ATOM 580 CA LYS A 39 58.216 7.724 0.483 1.00 0.73 C ATOM 581 C LYS A 39 57.783 6.289 0.174 1.00 0.66 C ATOM 582 O LYS A 39 56.964 5.714 0.864 1.00 0.87 O ATOM 583 CB LYS A 39 57.282 8.723 -0.200 1.00 0.90 C ATOM 584 CG LYS A 39 56.051 8.955 0.679 1.00 1.78 C ATOM 585 CD LYS A 39 56.382 9.981 1.765 1.00 2.12 C ATOM 586 CE LYS A 39 56.089 11.391 1.243 1.00 2.70 C ATOM 587 NZ LYS A 39 55.576 12.139 2.425 1.00 2.96 N ATOM 0 H LYS A 39 59.583 8.688 -0.843 1.00 0.60 H new ATOM 0 HA LYS A 39 58.206 7.832 1.568 1.00 0.73 H new ATOM 0 HB2 LYS A 39 57.803 9.665 -0.371 1.00 0.90 H new ATOM 0 HB3 LYS A 39 56.979 8.345 -1.176 1.00 0.90 H new ATOM 0 HG2 LYS A 39 55.219 9.310 0.071 1.00 1.78 H new ATOM 0 HG3 LYS A 39 55.735 8.017 1.135 1.00 1.78 H new ATOM 0 HD2 LYS A 39 55.791 9.783 2.659 1.00 2.12 H new ATOM 0 HD3 LYS A 39 57.431 9.898 2.051 1.00 2.12 H new ATOM 0 HE2 LYS A 39 56.988 11.858 0.840 1.00 2.70 H new ATOM 0 HE3 LYS A 39 55.353 11.370 0.439 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 55.352 13.116 2.147 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 54.717 11.675 2.783 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 56.300 12.148 3.171 1.00 2.96 H new ATOM 601 N GLU A 40 58.326 5.704 -0.860 1.00 0.52 N ATOM 602 CA GLU A 40 57.943 4.307 -1.212 1.00 0.56 C ATOM 603 C GLU A 40 58.868 3.311 -0.508 1.00 0.52 C ATOM 604 O GLU A 40 58.461 2.228 -0.135 1.00 0.59 O ATOM 605 CB GLU A 40 58.115 4.219 -2.728 1.00 0.71 C ATOM 606 CG GLU A 40 57.267 5.301 -3.402 1.00 1.06 C ATOM 607 CD GLU A 40 55.818 4.824 -3.502 1.00 1.41 C ATOM 608 OE1 GLU A 40 55.191 4.672 -2.466 1.00 1.60 O ATOM 609 OE2 GLU A 40 55.358 4.620 -4.613 1.00 2.23 O ATOM 0 H GLU A 40 59.017 6.133 -1.475 1.00 0.52 H new ATOM 0 HA GLU A 40 56.926 4.068 -0.903 1.00 0.56 H new ATOM 0 HB2 GLU A 40 59.164 4.347 -2.994 1.00 0.71 H new ATOM 0 HB3 GLU A 40 57.814 3.233 -3.082 1.00 0.71 H new ATOM 0 HG2 GLU A 40 57.318 6.227 -2.829 1.00 1.06 H new ATOM 0 HG3 GLU A 40 57.659 5.519 -4.396 1.00 1.06 H new ATOM 616 N LEU A 41 60.109 3.669 -0.322 1.00 0.51 N ATOM 617 CA LEU A 41 61.056 2.740 0.359 1.00 0.54 C ATOM 618 C LEU A 41 60.388 2.115 1.586 1.00 0.56 C ATOM 619 O LEU A 41 60.613 0.966 1.910 1.00 0.70 O ATOM 620 CB LEU A 41 62.238 3.614 0.780 1.00 0.62 C ATOM 621 CG LEU A 41 63.513 2.770 0.801 1.00 0.64 C ATOM 622 CD1 LEU A 41 64.707 3.659 1.152 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.375 1.667 1.853 1.00 1.40 C ATOM 0 H LEU A 41 60.508 4.562 -0.611 1.00 0.51 H new ATOM 0 HA LEU A 41 61.367 1.920 -0.288 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.352 4.448 0.088 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.055 4.041 1.766 1.00 0.62 H new ATOM 0 HG LEU A 41 63.669 2.322 -0.180 1.00 0.64 H new ATOM 0 HD11 LEU A 41 65.616 3.058 1.167 1.00 1.18 H new ATOM 0 HD12 LEU A 41 64.806 4.447 0.406 1.00 1.18 H new ATOM 0 HD13 LEU A 41 64.551 4.106 2.134 1.00 1.18 H new ATOM 0 HD21 LEU A 41 64.283 1.064 1.869 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.220 2.117 2.834 1.00 1.40 H new ATOM 0 HD23 LEU A 41 62.523 1.033 1.606 1.00 1.40 H new ATOM 635 N GLY A 42 59.566 2.864 2.269 1.00 0.57 N ATOM 636 CA GLY A 42 58.883 2.313 3.474 1.00 0.60 C ATOM 637 C GLY A 42 58.313 0.932 3.150 1.00 0.55 C ATOM 638 O GLY A 42 58.704 -0.064 3.728 1.00 0.57 O ATOM 0 H GLY A 42 59.338 3.833 2.045 1.00 0.57 H new ATOM 0 HA2 GLY A 42 59.587 2.242 4.303 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.084 2.983 3.790 1.00 0.60 H new ATOM 642 N LYS A 43 57.392 0.862 2.228 1.00 0.57 N ATOM 643 CA LYS A 43 56.797 -0.458 1.868 1.00 0.58 C ATOM 644 C LYS A 43 57.891 -1.418 1.393 1.00 0.56 C ATOM 645 O LYS A 43 57.794 -2.617 1.560 1.00 0.60 O ATOM 646 CB LYS A 43 55.818 -0.154 0.733 1.00 0.65 C ATOM 647 CG LYS A 43 54.391 -0.124 1.283 1.00 0.99 C ATOM 648 CD LYS A 43 53.479 0.612 0.300 1.00 1.28 C ATOM 649 CE LYS A 43 52.092 0.790 0.924 1.00 1.53 C ATOM 650 NZ LYS A 43 51.203 1.155 -0.213 1.00 1.86 N ATOM 0 H LYS A 43 57.026 1.660 1.709 1.00 0.57 H new ATOM 0 HA LYS A 43 56.303 -0.935 2.715 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.062 0.804 0.275 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.903 -0.911 -0.047 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.029 -1.140 1.440 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.374 0.373 2.253 1.00 0.99 H new ATOM 0 HD2 LYS A 43 53.905 1.584 0.051 1.00 1.28 H new ATOM 0 HD3 LYS A 43 53.401 0.050 -0.631 1.00 1.28 H new ATOM 0 HE2 LYS A 43 51.757 -0.127 1.409 1.00 1.53 H new ATOM 0 HE3 LYS A 43 52.099 1.569 1.686 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 50.233 1.294 0.135 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 51.543 2.035 -0.651 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 51.211 0.391 -0.919 1.00 1.86 H new ATOM 664 N VAL A 44 58.932 -0.900 0.799 1.00 0.54 N ATOM 665 CA VAL A 44 60.030 -1.784 0.314 1.00 0.56 C ATOM 666 C VAL A 44 60.808 -2.359 1.502 1.00 0.59 C ATOM 667 O VAL A 44 61.321 -3.460 1.445 1.00 0.57 O ATOM 668 CB VAL A 44 60.924 -0.872 -0.528 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.289 -1.532 -0.724 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.271 -0.640 -1.892 1.00 1.36 C ATOM 0 H VAL A 44 59.069 0.096 0.629 1.00 0.54 H new ATOM 0 HA VAL A 44 59.659 -2.633 -0.260 1.00 0.56 H new ATOM 0 HB VAL A 44 61.053 0.082 -0.017 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.925 -0.881 -1.324 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.755 -1.700 0.247 1.00 1.36 H new ATOM 0 HG13 VAL A 44 62.162 -2.486 -1.235 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.906 0.010 -2.494 1.00 1.36 H new ATOM 0 HG22 VAL A 44 60.143 -1.595 -2.401 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.298 -0.169 -1.754 1.00 1.36 H new ATOM 680 N MET A 45 60.897 -1.626 2.577 1.00 0.74 N ATOM 681 CA MET A 45 61.640 -2.136 3.765 1.00 0.84 C ATOM 682 C MET A 45 60.807 -3.192 4.495 1.00 0.86 C ATOM 683 O MET A 45 61.266 -4.287 4.753 1.00 0.89 O ATOM 684 CB MET A 45 61.856 -0.910 4.654 1.00 0.96 C ATOM 685 CG MET A 45 63.082 -0.136 4.166 1.00 1.12 C ATOM 686 SD MET A 45 64.541 -0.672 5.093 1.00 1.48 S ATOM 687 CE MET A 45 65.596 0.742 4.692 1.00 0.73 C ATOM 0 H MET A 45 60.489 -0.698 2.685 1.00 0.74 H new ATOM 0 HA MET A 45 62.583 -2.610 3.492 1.00 0.84 H new ATOM 0 HB2 MET A 45 60.974 -0.269 4.629 1.00 0.96 H new ATOM 0 HB3 MET A 45 61.996 -1.219 5.690 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.232 -0.306 3.100 1.00 1.12 H new ATOM 0 HG3 MET A 45 62.926 0.935 4.299 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.479 0.396 4.155 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.043 1.443 4.067 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.902 1.240 5.612 1.00 0.73 H new ATOM 697 N ARG A 46 59.585 -2.875 4.825 1.00 0.94 N ATOM 698 CA ARG A 46 58.726 -3.866 5.535 1.00 1.04 C ATOM 699 C ARG A 46 58.372 -5.024 4.598 1.00 1.00 C ATOM 700 O ARG A 46 57.921 -6.067 5.026 1.00 1.04 O ATOM 701 CB ARG A 46 57.471 -3.088 5.939 1.00 1.21 C ATOM 702 CG ARG A 46 56.577 -2.877 4.713 1.00 1.04 C ATOM 703 CD ARG A 46 55.478 -1.867 5.050 1.00 1.77 C ATOM 704 NE ARG A 46 54.367 -2.681 5.615 1.00 2.29 N ATOM 705 CZ ARG A 46 53.490 -2.127 6.408 1.00 2.76 C ATOM 706 NH1 ARG A 46 53.163 -0.874 6.247 1.00 3.45 N ATOM 707 NH2 ARG A 46 52.941 -2.826 7.365 1.00 3.10 N ATOM 0 H ARG A 46 59.145 -1.975 4.634 1.00 0.94 H new ATOM 0 HA ARG A 46 59.225 -4.303 6.400 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.926 -3.633 6.709 1.00 1.21 H new ATOM 0 HB3 ARG A 46 57.750 -2.125 6.367 1.00 1.21 H new ATOM 0 HG2 ARG A 46 57.172 -2.517 3.874 1.00 1.04 H new ATOM 0 HG3 ARG A 46 56.133 -3.824 4.406 1.00 1.04 H new ATOM 0 HD2 ARG A 46 55.829 -1.126 5.768 1.00 1.77 H new ATOM 0 HD3 ARG A 46 55.156 -1.323 4.162 1.00 1.77 H new ATOM 0 HE ARG A 46 54.291 -3.671 5.383 1.00 2.29 H new ATOM 0 HH11 ARG A 46 53.593 -0.327 5.501 1.00 3.45 H new ATOM 0 HH12 ARG A 46 52.478 -0.442 6.867 1.00 3.45 H new ATOM 0 HH21 ARG A 46 53.197 -3.805 7.493 1.00 3.10 H new ATOM 0 HH22 ARG A 46 52.256 -2.393 7.984 1.00 3.10 H new ATOM 721 N MET A 47 58.573 -4.846 3.320 1.00 0.98 N ATOM 722 CA MET A 47 58.248 -5.936 2.356 1.00 1.04 C ATOM 723 C MET A 47 59.175 -7.133 2.581 1.00 0.99 C ATOM 724 O MET A 47 58.802 -8.269 2.362 1.00 1.07 O ATOM 725 CB MET A 47 58.486 -5.325 0.974 1.00 1.19 C ATOM 726 CG MET A 47 57.142 -5.039 0.304 1.00 1.37 C ATOM 727 SD MET A 47 56.523 -6.549 -0.477 1.00 1.89 S ATOM 728 CE MET A 47 57.292 -6.299 -2.095 1.00 1.30 C ATOM 0 H MET A 47 58.948 -3.994 2.902 1.00 0.98 H new ATOM 0 HA MET A 47 57.227 -6.299 2.471 1.00 1.04 H new ATOM 0 HB2 MET A 47 59.062 -4.404 1.066 1.00 1.19 H new ATOM 0 HB3 MET A 47 59.073 -6.007 0.359 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.425 -4.679 1.042 1.00 1.37 H new ATOM 0 HG3 MET A 47 57.255 -4.252 -0.441 1.00 1.37 H new ATOM 0 HE1 MET A 47 57.037 -7.131 -2.751 1.00 1.30 H new ATOM 0 HE2 MET A 47 56.928 -5.368 -2.531 1.00 1.30 H new ATOM 0 HE3 MET A 47 58.375 -6.247 -1.979 1.00 1.30 H new ATOM 738 N LEU A 48 60.380 -6.889 3.019 1.00 0.93 N ATOM 739 CA LEU A 48 61.328 -8.016 3.259 1.00 0.98 C ATOM 740 C LEU A 48 61.243 -8.477 4.716 1.00 1.32 C ATOM 741 O LEU A 48 61.562 -9.603 5.039 1.00 1.80 O ATOM 742 CB LEU A 48 62.711 -7.441 2.955 1.00 1.21 C ATOM 743 CG LEU A 48 63.002 -7.573 1.459 1.00 1.28 C ATOM 744 CD1 LEU A 48 63.294 -6.192 0.872 1.00 2.11 C ATOM 745 CD2 LEU A 48 64.218 -8.480 1.255 1.00 1.86 C ATOM 0 H LEU A 48 60.749 -5.960 3.221 1.00 0.93 H new ATOM 0 HA LEU A 48 61.104 -8.885 2.640 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.754 -6.394 3.254 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.471 -7.969 3.532 1.00 1.21 H new ATOM 0 HG LEU A 48 62.136 -8.005 0.957 1.00 1.28 H new ATOM 0 HD11 LEU A 48 63.501 -6.286 -0.194 1.00 2.11 H new ATOM 0 HD12 LEU A 48 62.429 -5.544 1.018 1.00 2.11 H new ATOM 0 HD13 LEU A 48 64.160 -5.759 1.373 1.00 2.11 H new ATOM 0 HD21 LEU A 48 64.426 -8.575 0.189 1.00 1.86 H new ATOM 0 HD22 LEU A 48 65.083 -8.047 1.757 1.00 1.86 H new ATOM 0 HD23 LEU A 48 64.011 -9.465 1.673 1.00 1.86 H new ATOM 757 N GLY A 49 60.816 -7.614 5.599 1.00 1.36 N ATOM 758 CA GLY A 49 60.711 -8.007 7.033 1.00 1.95 C ATOM 759 C GLY A 49 61.386 -6.947 7.906 1.00 1.43 C ATOM 760 O GLY A 49 60.939 -6.653 8.996 1.00 1.92 O ATOM 0 H GLY A 49 60.536 -6.656 5.389 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.664 -8.113 7.316 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.183 -8.977 7.190 1.00 1.95 H new ATOM 764 N GLN A 50 62.461 -6.373 7.438 1.00 1.21 N ATOM 765 CA GLN A 50 63.163 -5.334 8.246 1.00 1.01 C ATOM 766 C GLN A 50 62.190 -4.215 8.633 1.00 1.02 C ATOM 767 O GLN A 50 61.472 -3.690 7.807 1.00 1.23 O ATOM 768 CB GLN A 50 64.263 -4.796 7.329 1.00 1.43 C ATOM 769 CG GLN A 50 65.629 -5.215 7.871 1.00 1.58 C ATOM 770 CD GLN A 50 65.759 -4.777 9.330 1.00 2.45 C ATOM 771 OE1 GLN A 50 66.167 -5.549 10.175 1.00 3.08 O ATOM 772 NE2 GLN A 50 65.422 -3.561 9.666 1.00 3.14 N ATOM 0 H GLN A 50 62.883 -6.578 6.532 1.00 1.21 H new ATOM 0 HA GLN A 50 63.567 -5.737 9.175 1.00 1.01 H new ATOM 0 HB2 GLN A 50 64.128 -5.180 6.318 1.00 1.43 H new ATOM 0 HB3 GLN A 50 64.202 -3.709 7.269 1.00 1.43 H new ATOM 0 HG2 GLN A 50 65.746 -6.296 7.794 1.00 1.58 H new ATOM 0 HG3 GLN A 50 66.422 -4.765 7.274 1.00 1.58 H new ATOM 0 HE21 GLN A 50 65.079 -2.912 8.957 1.00 3.14 H new ATOM 0 HE22 GLN A 50 65.501 -3.260 10.637 1.00 3.14 H new ATOM 781 N ASN A 51 62.165 -3.849 9.885 1.00 0.98 N ATOM 782 CA ASN A 51 61.240 -2.765 10.327 1.00 1.08 C ATOM 783 C ASN A 51 62.031 -1.639 10.999 1.00 0.93 C ATOM 784 O ASN A 51 62.061 -1.535 12.209 1.00 1.15 O ATOM 785 CB ASN A 51 60.300 -3.432 11.332 1.00 1.52 C ATOM 786 CG ASN A 51 59.020 -3.873 10.620 1.00 1.82 C ATOM 787 OD1 ASN A 51 58.040 -3.155 10.607 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.986 -5.033 10.022 1.00 2.47 N ATOM 0 H ASN A 51 62.744 -4.253 10.621 1.00 0.98 H new ATOM 0 HA ASN A 51 60.696 -2.320 9.494 1.00 1.08 H new ATOM 0 HB2 ASN A 51 60.790 -4.292 11.788 1.00 1.52 H new ATOM 0 HB3 ASN A 51 60.060 -2.738 12.137 1.00 1.52 H new ATOM 0 HD21 ASN A 51 58.137 -5.336 9.544 1.00 2.47 H new ATOM 0 HD22 ASN A 51 59.808 -5.636 10.032 1.00 2.47 H new ATOM 795 N PRO A 52 62.651 -0.832 10.181 1.00 0.72 N ATOM 796 CA PRO A 52 63.459 0.303 10.696 1.00 0.80 C ATOM 797 C PRO A 52 62.549 1.421 11.214 1.00 0.80 C ATOM 798 O PRO A 52 61.343 1.280 11.268 1.00 0.80 O ATOM 799 CB PRO A 52 64.246 0.762 9.473 1.00 0.85 C ATOM 800 CG PRO A 52 63.433 0.324 8.295 1.00 0.79 C ATOM 801 CD PRO A 52 62.658 -0.898 8.717 1.00 0.71 C ATOM 0 HA PRO A 52 64.101 0.028 11.533 1.00 0.80 H new ATOM 0 HB2 PRO A 52 64.383 1.843 9.476 1.00 0.85 H new ATOM 0 HB3 PRO A 52 65.240 0.315 9.454 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.757 1.118 7.978 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.078 0.096 7.446 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.646 -0.887 8.313 1.00 0.71 H new ATOM 0 HD3 PRO A 52 63.133 -1.813 8.362 1.00 0.71 H new ATOM 809 N THR A 53 63.119 2.530 11.600 1.00 0.87 N ATOM 810 CA THR A 53 62.293 3.656 12.117 1.00 0.92 C ATOM 811 C THR A 53 62.062 4.690 11.010 1.00 0.82 C ATOM 812 O THR A 53 62.935 4.943 10.203 1.00 0.76 O ATOM 813 CB THR A 53 63.127 4.245 13.262 1.00 1.08 C ATOM 814 OG1 THR A 53 62.919 3.475 14.437 1.00 1.26 O ATOM 815 CG2 THR A 53 62.713 5.693 13.521 1.00 1.54 C ATOM 0 H THR A 53 64.124 2.704 11.579 1.00 0.87 H new ATOM 0 HA THR A 53 61.305 3.341 12.454 1.00 0.92 H new ATOM 0 HB THR A 53 64.182 4.221 12.987 1.00 1.08 H new ATOM 0 HG1 THR A 53 63.452 3.847 15.171 1.00 1.26 H new ATOM 0 HG21 THR A 53 63.311 6.102 14.335 1.00 1.54 H new ATOM 0 HG22 THR A 53 62.875 6.284 12.620 1.00 1.54 H new ATOM 0 HG23 THR A 53 61.658 5.727 13.793 1.00 1.54 H new ATOM 823 N PRO A 54 60.885 5.255 11.014 1.00 0.82 N ATOM 824 CA PRO A 54 60.525 6.276 9.998 1.00 0.75 C ATOM 825 C PRO A 54 61.293 7.577 10.245 1.00 0.73 C ATOM 826 O PRO A 54 61.990 8.070 9.382 1.00 0.69 O ATOM 827 CB PRO A 54 59.026 6.477 10.211 1.00 0.83 C ATOM 828 CG PRO A 54 58.782 6.072 11.629 1.00 0.94 C ATOM 829 CD PRO A 54 59.788 5.001 11.955 1.00 0.93 C ATOM 0 HA PRO A 54 60.770 5.972 8.980 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.738 7.515 10.041 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.443 5.868 9.520 1.00 0.83 H new ATOM 0 HG2 PRO A 54 58.894 6.924 12.299 1.00 0.94 H new ATOM 0 HG3 PRO A 54 57.766 5.699 11.755 1.00 0.94 H new ATOM 0 HD2 PRO A 54 60.124 5.069 12.990 1.00 0.93 H new ATOM 0 HD3 PRO A 54 59.369 4.004 11.821 1.00 0.93 H new ATOM 837 N GLU A 55 61.171 8.138 11.417 1.00 0.85 N ATOM 838 CA GLU A 55 61.896 9.407 11.714 1.00 0.87 C ATOM 839 C GLU A 55 63.398 9.226 11.481 1.00 0.84 C ATOM 840 O GLU A 55 64.136 10.182 11.353 1.00 0.82 O ATOM 841 CB GLU A 55 61.610 9.691 13.189 1.00 1.02 C ATOM 842 CG GLU A 55 60.710 10.922 13.307 1.00 1.48 C ATOM 843 CD GLU A 55 61.500 12.172 12.914 1.00 2.02 C ATOM 844 OE1 GLU A 55 61.745 12.345 11.731 1.00 2.53 O ATOM 845 OE2 GLU A 55 61.845 12.934 13.800 1.00 2.57 O ATOM 0 H GLU A 55 60.602 7.774 12.181 1.00 0.85 H new ATOM 0 HA GLU A 55 61.574 10.227 11.072 1.00 0.87 H new ATOM 0 HB2 GLU A 55 61.127 8.829 13.649 1.00 1.02 H new ATOM 0 HB3 GLU A 55 62.544 9.857 13.726 1.00 1.02 H new ATOM 0 HG2 GLU A 55 59.839 10.812 12.661 1.00 1.48 H new ATOM 0 HG3 GLU A 55 60.340 11.019 14.328 1.00 1.48 H new ATOM 852 N GLU A 56 63.856 8.005 11.426 1.00 0.88 N ATOM 853 CA GLU A 56 65.311 7.764 11.202 1.00 0.91 C ATOM 854 C GLU A 56 65.614 7.708 9.702 1.00 0.80 C ATOM 855 O GLU A 56 66.425 8.456 9.194 1.00 0.81 O ATOM 856 CB GLU A 56 65.594 6.412 11.857 1.00 1.00 C ATOM 857 CG GLU A 56 66.020 6.628 13.310 1.00 1.44 C ATOM 858 CD GLU A 56 66.314 5.277 13.964 1.00 1.39 C ATOM 859 OE1 GLU A 56 66.666 4.357 13.245 1.00 1.79 O ATOM 860 OE2 GLU A 56 66.182 5.185 15.174 1.00 2.00 O ATOM 0 H GLU A 56 63.287 7.165 11.526 1.00 0.88 H new ATOM 0 HA GLU A 56 65.930 8.557 11.621 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.704 5.783 11.817 1.00 1.00 H new ATOM 0 HB3 GLU A 56 66.379 5.889 11.311 1.00 1.00 H new ATOM 0 HG2 GLU A 56 66.905 7.263 13.350 1.00 1.44 H new ATOM 0 HG3 GLU A 56 65.232 7.145 13.858 1.00 1.44 H new ATOM 867 N LEU A 57 64.968 6.825 8.989 1.00 0.75 N ATOM 868 CA LEU A 57 65.220 6.722 7.523 1.00 0.70 C ATOM 869 C LEU A 57 65.281 8.117 6.896 1.00 0.67 C ATOM 870 O LEU A 57 66.171 8.425 6.128 1.00 0.71 O ATOM 871 CB LEU A 57 64.030 5.937 6.972 1.00 0.69 C ATOM 872 CG LEU A 57 64.485 4.532 6.573 1.00 1.00 C ATOM 873 CD1 LEU A 57 64.597 3.656 7.822 1.00 1.51 C ATOM 874 CD2 LEU A 57 63.462 3.920 5.614 1.00 1.41 C ATOM 0 H LEU A 57 64.277 6.171 9.358 1.00 0.75 H new ATOM 0 HA LEU A 57 66.169 6.234 7.300 1.00 0.70 H new ATOM 0 HB2 LEU A 57 63.242 5.876 7.723 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.609 6.453 6.109 1.00 0.69 H new ATOM 0 HG LEU A 57 65.457 4.591 6.083 1.00 1.00 H new ATOM 0 HD11 LEU A 57 64.921 2.655 7.537 1.00 1.51 H new ATOM 0 HD12 LEU A 57 65.324 4.091 8.508 1.00 1.51 H new ATOM 0 HD13 LEU A 57 63.626 3.596 8.313 1.00 1.51 H new ATOM 0 HD21 LEU A 57 63.785 2.919 5.328 1.00 1.41 H new ATOM 0 HD22 LEU A 57 62.491 3.862 6.106 1.00 1.41 H new ATOM 0 HD23 LEU A 57 63.380 4.543 4.723 1.00 1.41 H new ATOM 886 N GLN A 58 64.341 8.963 7.217 1.00 0.68 N ATOM 887 CA GLN A 58 64.347 10.338 6.638 1.00 0.72 C ATOM 888 C GLN A 58 65.509 11.149 7.218 1.00 0.71 C ATOM 889 O GLN A 58 65.910 12.156 6.669 1.00 0.79 O ATOM 890 CB GLN A 58 63.006 10.947 7.051 1.00 0.79 C ATOM 891 CG GLN A 58 62.717 12.178 6.191 1.00 1.09 C ATOM 892 CD GLN A 58 62.345 11.737 4.775 1.00 1.67 C ATOM 893 OE1 GLN A 58 62.200 10.560 4.511 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.185 12.638 3.844 1.00 2.20 N ATOM 0 H GLN A 58 63.570 8.763 7.854 1.00 0.68 H new ATOM 0 HA GLN A 58 64.474 10.332 5.555 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.209 10.213 6.932 1.00 0.79 H new ATOM 0 HB3 GLN A 58 63.030 11.224 8.105 1.00 0.79 H new ATOM 0 HG2 GLN A 58 61.904 12.757 6.628 1.00 1.09 H new ATOM 0 HG3 GLN A 58 63.591 12.828 6.163 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.306 13.626 4.065 1.00 2.20 H new ATOM 0 HE22 GLN A 58 61.938 12.354 2.896 1.00 2.20 H new ATOM 903 N GLU A 59 66.051 10.718 8.323 1.00 0.70 N ATOM 904 CA GLU A 59 67.188 11.463 8.937 1.00 0.72 C ATOM 905 C GLU A 59 68.497 11.106 8.229 1.00 0.73 C ATOM 906 O GLU A 59 69.517 11.731 8.437 1.00 0.75 O ATOM 907 CB GLU A 59 67.223 11.000 10.394 1.00 0.75 C ATOM 908 CG GLU A 59 68.050 11.984 11.224 1.00 1.37 C ATOM 909 CD GLU A 59 67.242 12.426 12.445 1.00 1.66 C ATOM 910 OE1 GLU A 59 66.803 11.561 13.186 1.00 2.42 O ATOM 911 OE2 GLU A 59 67.075 13.622 12.619 1.00 2.02 O ATOM 0 H GLU A 59 65.757 9.882 8.828 1.00 0.70 H new ATOM 0 HA GLU A 59 67.067 12.543 8.855 1.00 0.72 H new ATOM 0 HB2 GLU A 59 66.210 10.936 10.790 1.00 0.75 H new ATOM 0 HB3 GLU A 59 67.655 10.001 10.459 1.00 0.75 H new ATOM 0 HG2 GLU A 59 68.982 11.515 11.541 1.00 1.37 H new ATOM 0 HG3 GLU A 59 68.319 12.850 10.619 1.00 1.37 H new ATOM 918 N MET A 60 68.474 10.104 7.392 1.00 0.79 N ATOM 919 CA MET A 60 69.717 9.705 6.671 1.00 0.84 C ATOM 920 C MET A 60 69.606 10.065 5.187 1.00 0.82 C ATOM 921 O MET A 60 70.585 10.381 4.541 1.00 0.96 O ATOM 922 CB MET A 60 69.811 8.191 6.851 1.00 0.93 C ATOM 923 CG MET A 60 71.157 7.834 7.484 1.00 1.27 C ATOM 924 SD MET A 60 71.418 6.046 7.381 1.00 1.65 S ATOM 925 CE MET A 60 70.037 5.553 8.441 1.00 0.97 C ATOM 0 H MET A 60 67.649 9.545 7.176 1.00 0.79 H new ATOM 0 HA MET A 60 70.600 10.216 7.056 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.995 7.838 7.482 1.00 0.93 H new ATOM 0 HB3 MET A 60 69.707 7.693 5.887 1.00 0.93 H new ATOM 0 HG2 MET A 60 71.963 8.360 6.972 1.00 1.27 H new ATOM 0 HG3 MET A 60 71.178 8.156 8.525 1.00 1.27 H new ATOM 0 HE1 MET A 60 70.212 4.547 8.822 1.00 0.97 H new ATOM 0 HE2 MET A 60 69.953 6.248 9.276 1.00 0.97 H new ATOM 0 HE3 MET A 60 69.112 5.566 7.864 1.00 0.97 H new ATOM 935 N ILE A 61 68.420 10.021 4.643 1.00 0.76 N ATOM 936 CA ILE A 61 68.249 10.361 3.202 1.00 0.78 C ATOM 937 C ILE A 61 68.741 11.787 2.932 1.00 0.77 C ATOM 938 O ILE A 61 68.941 12.180 1.801 1.00 0.82 O ATOM 939 CB ILE A 61 66.744 10.253 2.948 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.350 8.777 2.856 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.393 10.956 1.635 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.859 8.625 3.162 1.00 0.98 C ATOM 0 H ILE A 61 67.563 9.765 5.134 1.00 0.76 H new ATOM 0 HA ILE A 61 68.821 9.701 2.550 1.00 0.78 H new ATOM 0 HB ILE A 61 66.203 10.726 3.767 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.568 8.393 1.859 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.938 8.188 3.560 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.321 10.878 1.456 1.00 0.89 H new ATOM 0 HG22 ILE A 61 66.675 12.007 1.698 1.00 0.89 H new ATOM 0 HG23 ILE A 61 66.933 10.484 0.814 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.579 7.574 3.096 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.655 8.993 4.168 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.279 9.200 2.441 1.00 0.98 H new ATOM 954 N ASP A 62 68.936 12.563 3.963 1.00 0.82 N ATOM 955 CA ASP A 62 69.414 13.962 3.762 1.00 0.90 C ATOM 956 C ASP A 62 70.804 13.963 3.119 1.00 0.85 C ATOM 957 O ASP A 62 70.989 14.443 2.019 1.00 0.91 O ATOM 958 CB ASP A 62 69.471 14.564 5.166 1.00 1.03 C ATOM 959 CG ASP A 62 68.060 14.947 5.616 1.00 1.58 C ATOM 960 OD1 ASP A 62 67.337 14.064 6.047 1.00 2.24 O ATOM 961 OD2 ASP A 62 67.727 16.117 5.521 1.00 2.06 O ATOM 0 H ASP A 62 68.786 12.290 4.934 1.00 0.82 H new ATOM 0 HA ASP A 62 68.761 14.530 3.100 1.00 0.90 H new ATOM 0 HB2 ASP A 62 69.904 13.847 5.863 1.00 1.03 H new ATOM 0 HB3 ASP A 62 70.116 15.442 5.170 1.00 1.03 H new ATOM 966 N GLU A 63 71.783 13.430 3.798 1.00 0.84 N ATOM 967 CA GLU A 63 73.160 13.405 3.224 1.00 0.91 C ATOM 968 C GLU A 63 73.342 12.176 2.330 1.00 1.01 C ATOM 969 O GLU A 63 74.423 11.907 1.843 1.00 1.32 O ATOM 970 CB GLU A 63 74.092 13.333 4.434 1.00 0.99 C ATOM 971 CG GLU A 63 73.877 12.007 5.166 1.00 1.35 C ATOM 972 CD GLU A 63 73.422 12.283 6.600 1.00 1.55 C ATOM 973 OE1 GLU A 63 74.202 12.847 7.350 1.00 2.14 O ATOM 974 OE2 GLU A 63 72.301 11.928 6.924 1.00 2.00 O ATOM 0 H GLU A 63 71.690 13.011 4.723 1.00 0.84 H new ATOM 0 HA GLU A 63 73.364 14.278 2.604 1.00 0.91 H new ATOM 0 HB2 GLU A 63 75.130 13.419 4.112 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.897 14.168 5.107 1.00 0.99 H new ATOM 0 HG2 GLU A 63 73.129 11.409 4.645 1.00 1.35 H new ATOM 0 HG3 GLU A 63 74.801 11.429 5.171 1.00 1.35 H new ATOM 981 N VAL A 64 72.296 11.428 2.108 1.00 0.92 N ATOM 982 CA VAL A 64 72.415 10.219 1.243 1.00 1.07 C ATOM 983 C VAL A 64 71.840 10.506 -0.147 1.00 1.13 C ATOM 984 O VAL A 64 72.419 10.153 -1.155 1.00 1.54 O ATOM 985 CB VAL A 64 71.594 9.141 1.951 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.574 7.872 1.097 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.229 8.829 3.309 1.00 1.42 C ATOM 0 H VAL A 64 71.365 11.601 2.487 1.00 0.92 H new ATOM 0 HA VAL A 64 73.452 9.913 1.102 1.00 1.07 H new ATOM 0 HB VAL A 64 70.574 9.498 2.097 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.989 7.103 1.601 1.00 2.24 H new ATOM 0 HG12 VAL A 64 71.125 8.092 0.128 1.00 2.24 H new ATOM 0 HG13 VAL A 64 72.594 7.515 0.952 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.645 8.061 3.816 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.248 8.472 3.161 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.246 9.732 3.919 1.00 1.42 H new ATOM 997 N ASP A 65 70.704 11.146 -0.209 1.00 1.00 N ATOM 998 CA ASP A 65 70.094 11.456 -1.534 1.00 1.14 C ATOM 999 C ASP A 65 70.713 12.728 -2.119 1.00 1.45 C ATOM 1000 O ASP A 65 70.045 13.725 -2.307 1.00 1.74 O ATOM 1001 CB ASP A 65 68.607 11.667 -1.245 1.00 1.21 C ATOM 1002 CG ASP A 65 67.794 10.551 -1.903 1.00 2.09 C ATOM 1003 OD1 ASP A 65 67.866 10.427 -3.114 1.00 2.83 O ATOM 1004 OD2 ASP A 65 67.110 9.840 -1.185 1.00 2.63 O ATOM 0 H ASP A 65 70.172 11.467 0.600 1.00 1.00 H new ATOM 0 HA ASP A 65 70.260 10.661 -2.261 1.00 1.14 H new ATOM 0 HB2 ASP A 65 68.432 11.672 -0.169 1.00 1.21 H new ATOM 0 HB3 ASP A 65 68.286 12.637 -1.625 1.00 1.21 H new ATOM 1043 N SER A 69 68.052 13.261 -4.796 1.00 1.42 N ATOM 1044 CA SER A 69 67.160 14.361 -4.325 1.00 1.79 C ATOM 1045 C SER A 69 65.811 13.796 -3.872 1.00 1.42 C ATOM 1046 O SER A 69 64.764 14.255 -4.284 1.00 1.97 O ATOM 1047 CB SER A 69 66.978 15.272 -5.538 1.00 2.79 C ATOM 1048 OG SER A 69 67.365 16.595 -5.191 1.00 3.72 O ATOM 0 HA SER A 69 67.581 14.895 -3.473 1.00 1.79 H new ATOM 0 HB2 SER A 69 67.580 14.911 -6.372 1.00 2.79 H new ATOM 0 HB3 SER A 69 65.938 15.258 -5.865 1.00 2.79 H new ATOM 0 HG SER A 69 67.252 17.183 -5.967 1.00 3.72 H new ATOM 1054 N GLY A 70 65.827 12.804 -3.023 1.00 1.01 N ATOM 1055 CA GLY A 70 64.545 12.215 -2.542 1.00 1.07 C ATOM 1056 C GLY A 70 64.311 10.868 -3.228 1.00 0.84 C ATOM 1057 O GLY A 70 63.224 10.326 -3.195 1.00 0.87 O ATOM 0 H GLY A 70 66.671 12.377 -2.642 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.577 12.083 -1.460 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.719 12.892 -2.757 1.00 1.07 H new ATOM 1061 N THR A 71 65.322 10.322 -3.848 1.00 0.70 N ATOM 1062 CA THR A 71 65.154 9.009 -4.534 1.00 0.55 C ATOM 1063 C THR A 71 66.415 8.159 -4.364 1.00 0.54 C ATOM 1064 O THR A 71 67.520 8.624 -4.561 1.00 0.72 O ATOM 1065 CB THR A 71 64.931 9.356 -6.006 1.00 0.60 C ATOM 1066 OG1 THR A 71 66.151 9.816 -6.572 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.869 10.450 -6.119 1.00 0.81 C ATOM 0 H THR A 71 66.256 10.728 -3.909 1.00 0.70 H new ATOM 0 HA THR A 71 64.326 8.431 -4.124 1.00 0.55 H new ATOM 0 HB THR A 71 64.593 8.469 -6.542 1.00 0.60 H new ATOM 0 HG1 THR A 71 66.903 9.505 -6.026 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.711 10.697 -7.169 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.934 10.096 -5.685 1.00 0.81 H new ATOM 0 HG23 THR A 71 64.204 11.339 -5.584 1.00 0.81 H new ATOM 1075 N VAL A 72 66.257 6.916 -4.000 1.00 0.52 N ATOM 1076 CA VAL A 72 67.450 6.036 -3.818 1.00 0.65 C ATOM 1077 C VAL A 72 67.571 5.041 -4.970 1.00 0.56 C ATOM 1078 O VAL A 72 66.589 4.596 -5.531 1.00 0.57 O ATOM 1079 CB VAL A 72 67.234 5.279 -2.502 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.709 6.142 -1.340 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.752 4.937 -2.312 1.00 1.23 C ATOM 0 H VAL A 72 65.357 6.471 -3.821 1.00 0.52 H new ATOM 0 HA VAL A 72 68.365 6.628 -3.799 1.00 0.65 H new ATOM 0 HB VAL A 72 67.804 4.351 -2.534 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.557 5.606 -0.403 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.769 6.365 -1.462 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.142 7.073 -1.322 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.620 4.400 -1.373 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.166 5.856 -2.290 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.414 4.311 -3.138 1.00 1.23 H new ATOM 1091 N ASP A 73 68.774 4.678 -5.310 1.00 0.64 N ATOM 1092 CA ASP A 73 68.976 3.697 -6.409 1.00 0.70 C ATOM 1093 C ASP A 73 69.463 2.374 -5.816 1.00 0.70 C ATOM 1094 O ASP A 73 69.382 2.153 -4.624 1.00 0.71 O ATOM 1095 CB ASP A 73 70.049 4.318 -7.305 1.00 0.85 C ATOM 1096 CG ASP A 73 69.618 4.209 -8.768 1.00 1.25 C ATOM 1097 OD1 ASP A 73 69.680 3.114 -9.304 1.00 1.91 O ATOM 1098 OD2 ASP A 73 69.232 5.221 -9.328 1.00 1.72 O ATOM 0 H ASP A 73 69.629 5.020 -4.872 1.00 0.64 H new ATOM 0 HA ASP A 73 68.063 3.490 -6.968 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.201 5.363 -7.037 1.00 0.85 H new ATOM 0 HB3 ASP A 73 71.001 3.809 -7.156 1.00 0.85 H new ATOM 1103 N PHE A 74 69.966 1.493 -6.629 1.00 0.81 N ATOM 1104 CA PHE A 74 70.454 0.190 -6.096 1.00 0.87 C ATOM 1105 C PHE A 74 71.701 0.404 -5.236 1.00 0.76 C ATOM 1106 O PHE A 74 72.015 -0.389 -4.370 1.00 0.74 O ATOM 1107 CB PHE A 74 70.791 -0.639 -7.335 1.00 1.04 C ATOM 1108 CG PHE A 74 70.517 -2.095 -7.055 1.00 1.34 C ATOM 1109 CD1 PHE A 74 69.257 -2.496 -6.595 1.00 2.16 C ATOM 1110 CD2 PHE A 74 71.523 -3.045 -7.258 1.00 2.11 C ATOM 1111 CE1 PHE A 74 69.004 -3.848 -6.338 1.00 3.14 C ATOM 1112 CE2 PHE A 74 71.271 -4.398 -7.002 1.00 3.02 C ATOM 1113 CZ PHE A 74 70.011 -4.800 -6.541 1.00 3.42 C ATOM 0 H PHE A 74 70.061 1.615 -7.637 1.00 0.81 H new ATOM 0 HA PHE A 74 69.715 -0.302 -5.464 1.00 0.87 H new ATOM 0 HB2 PHE A 74 70.196 -0.303 -8.184 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.838 -0.500 -7.605 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.480 -1.762 -6.439 1.00 2.16 H new ATOM 0 HD2 PHE A 74 72.495 -2.735 -7.612 1.00 2.11 H new ATOM 0 HE1 PHE A 74 68.032 -4.157 -5.983 1.00 3.14 H new ATOM 0 HE2 PHE A 74 72.048 -5.132 -7.160 1.00 3.02 H new ATOM 0 HZ PHE A 74 69.816 -5.843 -6.342 1.00 3.42 H new ATOM 1123 N ASP A 75 72.419 1.466 -5.473 1.00 0.79 N ATOM 1124 CA ASP A 75 73.652 1.730 -4.675 1.00 0.78 C ATOM 1125 C ASP A 75 73.304 2.406 -3.344 1.00 0.71 C ATOM 1126 O ASP A 75 73.963 2.197 -2.345 1.00 0.67 O ATOM 1127 CB ASP A 75 74.492 2.663 -5.547 1.00 0.96 C ATOM 1128 CG ASP A 75 73.852 4.052 -5.574 1.00 1.50 C ATOM 1129 OD1 ASP A 75 72.810 4.190 -6.193 1.00 2.18 O ATOM 1130 OD2 ASP A 75 74.414 4.953 -4.974 1.00 1.99 O ATOM 0 H ASP A 75 72.206 2.164 -6.185 1.00 0.79 H new ATOM 0 HA ASP A 75 74.182 0.811 -4.426 1.00 0.78 H new ATOM 0 HB2 ASP A 75 75.508 2.727 -5.156 1.00 0.96 H new ATOM 0 HB3 ASP A 75 74.564 2.265 -6.559 1.00 0.96 H new ATOM 1135 N GLU A 76 72.280 3.217 -3.317 1.00 0.74 N ATOM 1136 CA GLU A 76 71.908 3.900 -2.044 1.00 0.72 C ATOM 1137 C GLU A 76 71.075 2.965 -1.162 1.00 0.61 C ATOM 1138 O GLU A 76 71.375 2.759 -0.003 1.00 0.60 O ATOM 1139 CB GLU A 76 71.079 5.112 -2.470 1.00 0.82 C ATOM 1140 CG GLU A 76 71.886 5.966 -3.449 1.00 0.96 C ATOM 1141 CD GLU A 76 70.982 7.043 -4.054 1.00 1.36 C ATOM 1142 OE1 GLU A 76 70.133 6.692 -4.857 1.00 2.14 O ATOM 1143 OE2 GLU A 76 71.152 8.198 -3.702 1.00 2.01 O ATOM 0 H GLU A 76 71.687 3.435 -4.118 1.00 0.74 H new ATOM 0 HA GLU A 76 72.783 4.188 -1.462 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.150 4.784 -2.937 1.00 0.82 H new ATOM 0 HB3 GLU A 76 70.805 5.703 -1.596 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.728 6.430 -2.935 1.00 0.96 H new ATOM 0 HG3 GLU A 76 72.301 5.339 -4.238 1.00 0.96 H new ATOM 1150 N PHE A 77 70.030 2.402 -1.700 1.00 0.60 N ATOM 1151 CA PHE A 77 69.175 1.485 -0.891 1.00 0.54 C ATOM 1152 C PHE A 77 70.025 0.387 -0.245 1.00 0.48 C ATOM 1153 O PHE A 77 70.076 0.261 0.963 1.00 0.55 O ATOM 1154 CB PHE A 77 68.191 0.881 -1.893 1.00 0.61 C ATOM 1155 CG PHE A 77 67.258 -0.068 -1.180 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.754 0.263 0.085 1.00 1.52 C ATOM 1157 CD2 PHE A 77 66.895 -1.277 -1.783 1.00 1.30 C ATOM 1158 CE1 PHE A 77 65.888 -0.617 0.746 1.00 1.78 C ATOM 1159 CE2 PHE A 77 66.029 -2.157 -1.123 1.00 1.38 C ATOM 1160 CZ PHE A 77 65.526 -1.827 0.141 1.00 1.25 C ATOM 0 H PHE A 77 69.729 2.536 -2.665 1.00 0.60 H new ATOM 0 HA PHE A 77 68.668 2.006 -0.079 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.620 1.672 -2.378 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.734 0.353 -2.677 1.00 0.61 H new ATOM 0 HD1 PHE A 77 67.033 1.197 0.550 1.00 1.52 H new ATOM 0 HD2 PHE A 77 67.283 -1.532 -2.758 1.00 1.30 H new ATOM 0 HE1 PHE A 77 65.500 -0.363 1.721 1.00 1.78 H new ATOM 0 HE2 PHE A 77 65.749 -3.090 -1.589 1.00 1.38 H new ATOM 0 HZ PHE A 77 64.858 -2.506 0.650 1.00 1.25 H new ATOM 1170 N LEU A 78 70.686 -0.413 -1.036 1.00 0.46 N ATOM 1171 CA LEU A 78 71.525 -1.506 -0.463 1.00 0.49 C ATOM 1172 C LEU A 78 72.305 -1.003 0.755 1.00 0.48 C ATOM 1173 O LEU A 78 72.254 -1.587 1.819 1.00 0.54 O ATOM 1174 CB LEU A 78 72.480 -1.905 -1.587 1.00 0.56 C ATOM 1175 CG LEU A 78 71.835 -3.003 -2.435 1.00 0.78 C ATOM 1176 CD1 LEU A 78 72.655 -3.214 -3.708 1.00 1.70 C ATOM 1177 CD2 LEU A 78 71.794 -4.305 -1.631 1.00 0.70 C ATOM 0 H LEU A 78 70.682 -0.358 -2.055 1.00 0.46 H new ATOM 0 HA LEU A 78 70.923 -2.348 -0.122 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.711 -1.039 -2.208 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.423 -2.259 -1.170 1.00 0.56 H new ATOM 0 HG LEU A 78 70.821 -2.708 -2.704 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.195 -3.996 -4.312 1.00 1.70 H new ATOM 0 HD12 LEU A 78 72.686 -2.286 -4.279 1.00 1.70 H new ATOM 0 HD13 LEU A 78 73.670 -3.510 -3.442 1.00 1.70 H new ATOM 0 HD21 LEU A 78 71.335 -5.090 -2.232 1.00 0.70 H new ATOM 0 HD22 LEU A 78 72.809 -4.600 -1.364 1.00 0.70 H new ATOM 0 HD23 LEU A 78 71.209 -4.154 -0.724 1.00 0.70 H new ATOM 1189 N VAL A 79 73.024 0.075 0.609 1.00 0.46 N ATOM 1190 CA VAL A 79 73.803 0.610 1.763 1.00 0.51 C ATOM 1191 C VAL A 79 72.861 0.948 2.921 1.00 0.53 C ATOM 1192 O VAL A 79 73.043 0.498 4.035 1.00 0.64 O ATOM 1193 CB VAL A 79 74.480 1.875 1.236 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.257 2.550 2.368 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.445 1.504 0.108 1.00 0.62 C ATOM 0 H VAL A 79 73.107 0.608 -0.257 1.00 0.46 H new ATOM 0 HA VAL A 79 74.529 -0.110 2.141 1.00 0.51 H new ATOM 0 HB VAL A 79 73.722 2.560 0.857 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.739 3.452 1.991 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.571 2.815 3.173 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.015 1.865 2.748 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.928 2.405 -0.269 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.202 0.818 0.488 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.893 1.024 -0.700 1.00 0.62 H new ATOM 1205 N MET A 80 71.853 1.735 2.665 1.00 0.52 N ATOM 1206 CA MET A 80 70.897 2.100 3.749 1.00 0.60 C ATOM 1207 C MET A 80 70.297 0.835 4.370 1.00 0.62 C ATOM 1208 O MET A 80 69.889 0.829 5.514 1.00 0.71 O ATOM 1209 CB MET A 80 69.812 2.924 3.056 1.00 0.66 C ATOM 1210 CG MET A 80 70.093 4.414 3.259 1.00 1.11 C ATOM 1211 SD MET A 80 68.558 5.260 3.710 1.00 1.23 S ATOM 1212 CE MET A 80 68.137 5.861 2.056 1.00 0.86 C ATOM 0 H MET A 80 71.649 2.142 1.752 1.00 0.52 H new ATOM 0 HA MET A 80 71.376 2.654 4.556 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.787 2.690 1.992 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.833 2.669 3.462 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.840 4.551 4.041 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.504 4.845 2.346 1.00 1.11 H new ATOM 0 HE1 MET A 80 67.054 5.865 1.935 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.520 6.873 1.928 1.00 0.86 H new ATOM 0 HE3 MET A 80 68.583 5.207 1.307 1.00 0.86 H new ATOM 1222 N MET A 81 70.242 -0.233 3.624 1.00 0.61 N ATOM 1223 CA MET A 81 69.668 -1.497 4.172 1.00 0.72 C ATOM 1224 C MET A 81 70.675 -2.171 5.109 1.00 0.79 C ATOM 1225 O MET A 81 70.386 -2.438 6.258 1.00 0.91 O ATOM 1226 CB MET A 81 69.402 -2.375 2.950 1.00 0.75 C ATOM 1227 CG MET A 81 67.902 -2.653 2.836 1.00 1.01 C ATOM 1228 SD MET A 81 67.362 -3.640 4.254 1.00 1.71 S ATOM 1229 CE MET A 81 65.663 -3.925 3.696 1.00 1.66 C ATOM 0 H MET A 81 70.569 -0.287 2.659 1.00 0.61 H new ATOM 0 HA MET A 81 68.762 -1.322 4.752 1.00 0.72 H new ATOM 0 HB2 MET A 81 69.760 -1.879 2.048 1.00 0.75 H new ATOM 0 HB3 MET A 81 69.951 -3.313 3.037 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.349 -1.714 2.801 1.00 1.01 H new ATOM 0 HG3 MET A 81 67.689 -3.183 1.908 1.00 1.01 H new ATOM 0 HE1 MET A 81 64.969 -3.659 4.493 1.00 1.66 H new ATOM 0 HE2 MET A 81 65.460 -3.311 2.819 1.00 1.66 H new ATOM 0 HE3 MET A 81 65.536 -4.977 3.440 1.00 1.66 H new ATOM 1239 N VAL A 82 71.854 -2.449 4.624 1.00 0.78 N ATOM 1240 CA VAL A 82 72.878 -3.107 5.485 1.00 0.90 C ATOM 1241 C VAL A 82 73.077 -2.309 6.777 1.00 0.94 C ATOM 1242 O VAL A 82 73.416 -2.855 7.808 1.00 1.13 O ATOM 1243 CB VAL A 82 74.157 -3.102 4.649 1.00 0.98 C ATOM 1244 CG1 VAL A 82 73.965 -3.986 3.415 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.469 -1.670 4.207 1.00 1.38 C ATOM 0 H VAL A 82 72.153 -2.249 3.669 1.00 0.78 H new ATOM 0 HA VAL A 82 72.585 -4.115 5.778 1.00 0.90 H new ATOM 0 HB VAL A 82 74.983 -3.488 5.246 1.00 0.98 H new ATOM 0 HG11 VAL A 82 74.878 -3.982 2.819 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.741 -5.005 3.729 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.139 -3.601 2.817 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.381 -1.664 3.610 1.00 1.38 H new ATOM 0 HG22 VAL A 82 73.642 -1.285 3.610 1.00 1.38 H new ATOM 0 HG23 VAL A 82 74.606 -1.040 5.086 1.00 1.38 H new ATOM 1255 N ARG A 83 72.870 -1.021 6.729 1.00 0.84 N ATOM 1256 CA ARG A 83 73.048 -0.192 7.955 1.00 0.93 C ATOM 1257 C ARG A 83 72.122 -0.690 9.068 1.00 0.93 C ATOM 1258 O ARG A 83 72.567 -1.212 10.071 1.00 1.23 O ATOM 1259 CB ARG A 83 72.667 1.227 7.533 1.00 0.95 C ATOM 1260 CG ARG A 83 73.001 2.202 8.665 1.00 1.53 C ATOM 1261 CD ARG A 83 74.365 2.845 8.399 1.00 1.50 C ATOM 1262 NE ARG A 83 74.907 3.166 9.748 1.00 1.75 N ATOM 1263 CZ ARG A 83 76.088 2.733 10.096 1.00 2.02 C ATOM 1264 NH1 ARG A 83 77.148 3.140 9.451 1.00 2.58 N ATOM 1265 NH2 ARG A 83 76.210 1.897 11.089 1.00 2.44 N ATOM 0 H ARG A 83 72.586 -0.508 5.895 1.00 0.84 H new ATOM 0 HA ARG A 83 74.065 -0.241 8.343 1.00 0.93 H new ATOM 0 HB2 ARG A 83 73.206 1.506 6.627 1.00 0.95 H new ATOM 0 HB3 ARG A 83 71.604 1.275 7.299 1.00 0.95 H new ATOM 0 HG2 ARG A 83 72.232 2.971 8.736 1.00 1.53 H new ATOM 0 HG3 ARG A 83 73.015 1.676 9.620 1.00 1.53 H new ATOM 0 HD2 ARG A 83 75.024 2.164 7.860 1.00 1.50 H new ATOM 0 HD3 ARG A 83 74.266 3.743 7.789 1.00 1.50 H new ATOM 0 HE ARG A 83 74.356 3.724 10.400 1.00 1.75 H new ATOM 0 HH11 ARG A 83 77.053 3.796 8.676 1.00 2.58 H new ATOM 0 HH12 ARG A 83 78.071 2.802 9.723 1.00 2.58 H new ATOM 0 HH21 ARG A 83 75.382 1.581 11.594 1.00 2.44 H new ATOM 0 HH22 ARG A 83 77.133 1.559 11.361 1.00 2.44 H new ATOM 1279 N CYS A 84 70.839 -0.530 8.900 1.00 0.81 N ATOM 1280 CA CYS A 84 69.886 -0.994 9.950 1.00 0.94 C ATOM 1281 C CYS A 84 70.161 -2.458 10.306 1.00 1.01 C ATOM 1282 O CYS A 84 70.024 -2.865 11.441 1.00 1.67 O ATOM 1283 CB CYS A 84 68.500 -0.844 9.322 1.00 1.20 C ATOM 1284 SG CYS A 84 68.299 -2.071 8.006 1.00 1.56 S ATOM 0 H CYS A 84 70.408 -0.099 8.082 1.00 0.81 H new ATOM 0 HA CYS A 84 69.978 -0.422 10.873 1.00 0.94 H new ATOM 0 HB2 CYS A 84 67.729 -0.978 10.080 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.378 0.161 8.919 1.00 1.20 H new ATOM 0 HG CYS A 84 69.322 -2.020 7.205 1.00 1.56 H new ATOM 1290 N MET A 85 70.548 -3.251 9.345 1.00 1.25 N ATOM 1291 CA MET A 85 70.830 -4.687 9.633 1.00 1.43 C ATOM 1292 C MET A 85 71.983 -4.805 10.633 1.00 1.78 C ATOM 1293 O MET A 85 73.139 -4.678 10.281 1.00 2.66 O ATOM 1294 CB MET A 85 71.225 -5.292 8.285 1.00 1.49 C ATOM 1295 CG MET A 85 69.971 -5.781 7.559 1.00 1.71 C ATOM 1296 SD MET A 85 70.256 -7.451 6.921 1.00 1.93 S ATOM 1297 CE MET A 85 70.028 -7.065 5.167 1.00 1.59 C ATOM 0 H MET A 85 70.681 -2.968 8.374 1.00 1.25 H new ATOM 0 HA MET A 85 69.973 -5.198 10.072 1.00 1.43 H new ATOM 0 HB2 MET A 85 71.743 -4.549 7.679 1.00 1.49 H new ATOM 0 HB3 MET A 85 71.918 -6.120 8.435 1.00 1.49 H new ATOM 0 HG2 MET A 85 69.120 -5.781 8.240 1.00 1.71 H new ATOM 0 HG3 MET A 85 69.725 -5.105 6.741 1.00 1.71 H new ATOM 0 HE1 MET A 85 70.162 -7.970 4.575 1.00 1.59 H new ATOM 0 HE2 MET A 85 69.024 -6.672 5.008 1.00 1.59 H new ATOM 0 HE3 MET A 85 70.762 -6.319 4.860 1.00 1.59 H new