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 45 MET CE :methyl -178:sc= 0 (180deg=-0.00678) USER MOD Set 1.2: A 84 CYS SG : rot 84:sc= 0.352 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= -0.312 K(o=-0.31,f=-2.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.4! USER MOD Single : A 16 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.15) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0334 X(o=-0.033,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.126) USER MOD Single : A 35 CYS SG : rot 30:sc= -0.978 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0817 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.3) USER MOD Single : A 51 ASN : amide:sc= -1.28! C(o=-1.3!,f=-2.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 58 GLN : amide:sc= -0.0375 X(o=-0.038,f=-0.22) USER MOD Single : A 60 MET CE :methyl -120:sc= -0.0122 (180deg=-0.157) USER MOD Single : A 69 SER OG : rot 23:sc= 0.903 USER MOD Single : A 71 THR OG1 : rot 35:sc= 0.168 USER MOD Single : A 80 MET CE :methyl 174:sc= -6.44! (180deg=-6.49!) USER MOD Single : A 81 MET CE :methyl -163:sc= -1.46 (180deg=-1.71) USER MOD Single : A 85 MET CE :methyl -107:sc= -0.0707 (180deg=-1.56!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.629 2.787 2.353 1.00 0.90 N ATOM 45 CA ILE A 4 83.479 1.757 3.422 1.00 0.89 C ATOM 46 C ILE A 4 82.176 0.977 3.228 1.00 0.82 C ATOM 47 O ILE A 4 82.121 -0.220 3.431 1.00 0.85 O ATOM 48 CB ILE A 4 83.439 2.549 4.731 1.00 0.85 C ATOM 49 CG1 ILE A 4 82.090 3.261 4.855 1.00 1.02 C ATOM 50 CG2 ILE A 4 84.563 3.586 4.737 1.00 0.75 C ATOM 51 CD1 ILE A 4 82.111 4.186 6.073 1.00 1.74 C ATOM 0 HA ILE A 4 84.289 1.028 3.409 1.00 0.89 H new ATOM 0 HB ILE A 4 83.570 1.867 5.571 1.00 0.85 H new ATOM 0 HG12 ILE A 4 81.886 3.836 3.952 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.288 2.529 4.955 1.00 1.02 H new ATOM 0 HG21 ILE A 4 84.533 4.149 5.670 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.525 3.081 4.649 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.433 4.268 3.897 1.00 0.75 H new ATOM 0 HD11 ILE A 4 81.150 4.693 6.161 1.00 1.74 H new ATOM 0 HD12 ILE A 4 82.295 3.599 6.973 1.00 1.74 H new ATOM 0 HD13 ILE A 4 82.902 4.926 5.954 1.00 1.74 H new ATOM 63 N TYR A 5 81.126 1.647 2.839 1.00 0.78 N ATOM 64 CA TYR A 5 79.827 0.944 2.635 1.00 0.78 C ATOM 65 C TYR A 5 79.938 -0.053 1.479 1.00 0.92 C ATOM 66 O TYR A 5 79.145 -0.966 1.355 1.00 0.99 O ATOM 67 CB TYR A 5 78.829 2.053 2.297 1.00 0.78 C ATOM 68 CG TYR A 5 78.787 3.052 3.428 1.00 0.92 C ATOM 69 CD1 TYR A 5 78.036 2.777 4.578 1.00 1.31 C ATOM 70 CD2 TYR A 5 79.498 4.254 3.328 1.00 1.77 C ATOM 71 CE1 TYR A 5 77.997 3.703 5.627 1.00 1.36 C ATOM 72 CE2 TYR A 5 79.458 5.180 4.377 1.00 2.00 C ATOM 73 CZ TYR A 5 78.707 4.905 5.527 1.00 1.35 C ATOM 74 OH TYR A 5 78.668 5.818 6.561 1.00 1.60 O ATOM 0 H TYR A 5 81.111 2.650 2.654 1.00 0.78 H new ATOM 0 HA TYR A 5 79.522 0.374 3.513 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.119 2.548 1.370 1.00 0.78 H new ATOM 0 HB3 TYR A 5 77.838 1.629 2.135 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.487 1.850 4.655 1.00 1.31 H new ATOM 0 HD2 TYR A 5 80.077 4.467 2.442 1.00 1.77 H new ATOM 0 HE1 TYR A 5 77.419 3.490 6.514 1.00 1.36 H new ATOM 0 HE2 TYR A 5 80.007 6.107 4.300 1.00 2.00 H new ATOM 0 HH TYR A 5 79.216 6.597 6.330 1.00 1.60 H new ATOM 84 N LYS A 6 80.918 0.110 0.633 1.00 1.02 N ATOM 85 CA LYS A 6 81.077 -0.833 -0.512 1.00 1.19 C ATOM 86 C LYS A 6 81.151 -2.274 -0.001 1.00 1.15 C ATOM 87 O LYS A 6 80.651 -3.190 -0.622 1.00 1.19 O ATOM 88 CB LYS A 6 82.394 -0.432 -1.178 1.00 1.38 C ATOM 89 CG LYS A 6 82.290 -0.649 -2.689 1.00 1.86 C ATOM 90 CD LYS A 6 82.420 -2.142 -3.000 1.00 1.94 C ATOM 91 CE LYS A 6 83.758 -2.405 -3.695 1.00 2.16 C ATOM 92 NZ LYS A 6 83.950 -3.879 -3.613 1.00 2.91 N ATOM 0 H LYS A 6 81.614 0.853 0.684 1.00 1.02 H new ATOM 0 HA LYS A 6 80.239 -0.784 -1.207 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.618 0.613 -0.965 1.00 1.38 H new ATOM 0 HB3 LYS A 6 83.214 -1.023 -0.771 1.00 1.38 H new ATOM 0 HG2 LYS A 6 81.336 -0.272 -3.057 1.00 1.86 H new ATOM 0 HG3 LYS A 6 83.073 -0.090 -3.202 1.00 1.86 H new ATOM 0 HD2 LYS A 6 82.356 -2.723 -2.080 1.00 1.94 H new ATOM 0 HD3 LYS A 6 81.597 -2.464 -3.638 1.00 1.94 H new ATOM 0 HE2 LYS A 6 83.738 -2.066 -4.731 1.00 2.16 H new ATOM 0 HE3 LYS A 6 84.571 -1.873 -3.201 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 84.848 -4.138 -4.069 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 83.971 -4.171 -2.615 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 83.165 -4.359 -4.097 1.00 2.91 H new ATOM 106 N ALA A 7 81.769 -2.480 1.130 1.00 1.13 N ATOM 107 CA ALA A 7 81.873 -3.861 1.681 1.00 1.14 C ATOM 108 C ALA A 7 80.485 -4.377 2.072 1.00 1.06 C ATOM 109 O ALA A 7 80.250 -5.566 2.143 1.00 1.10 O ATOM 110 CB ALA A 7 82.765 -3.730 2.916 1.00 1.20 C ATOM 0 H ALA A 7 82.206 -1.752 1.696 1.00 1.13 H new ATOM 0 HA ALA A 7 82.283 -4.566 0.957 1.00 1.14 H new ATOM 0 HB1 ALA A 7 82.890 -4.708 3.380 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.740 -3.341 2.621 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.302 -3.047 3.628 1.00 1.20 H new ATOM 116 N ALA A 8 79.563 -3.487 2.325 1.00 0.99 N ATOM 117 CA ALA A 8 78.190 -3.924 2.709 1.00 0.95 C ATOM 118 C ALA A 8 77.559 -4.738 1.577 1.00 0.95 C ATOM 119 O ALA A 8 76.781 -5.641 1.807 1.00 1.02 O ATOM 120 CB ALA A 8 77.411 -2.628 2.936 1.00 0.91 C ATOM 0 H ALA A 8 79.701 -2.477 2.282 1.00 0.99 H new ATOM 0 HA ALA A 8 78.191 -4.559 3.595 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.386 -2.865 3.223 1.00 0.91 H new ATOM 0 HB2 ALA A 8 77.886 -2.052 3.730 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.404 -2.042 2.017 1.00 0.91 H new ATOM 126 N VAL A 9 77.890 -4.422 0.355 1.00 0.97 N ATOM 127 CA VAL A 9 77.310 -5.175 -0.794 1.00 1.07 C ATOM 128 C VAL A 9 78.148 -6.422 -1.085 1.00 1.16 C ATOM 129 O VAL A 9 77.665 -7.391 -1.639 1.00 1.18 O ATOM 130 CB VAL A 9 77.367 -4.200 -1.971 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.892 -4.905 -3.243 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.457 -3.004 -1.682 1.00 1.49 C ATOM 0 H VAL A 9 78.537 -3.675 0.102 1.00 0.97 H new ATOM 0 HA VAL A 9 76.294 -5.517 -0.597 1.00 1.07 H new ATOM 0 HB VAL A 9 78.392 -3.855 -2.109 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.933 -4.210 -4.081 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.537 -5.759 -3.448 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.867 -5.249 -3.107 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.495 -2.307 -2.519 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.433 -3.351 -1.545 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.794 -2.501 -0.775 1.00 1.49 H new ATOM 142 N GLU A 10 79.400 -6.409 -0.718 1.00 1.28 N ATOM 143 CA GLU A 10 80.267 -7.595 -0.973 1.00 1.44 C ATOM 144 C GLU A 10 79.792 -8.787 -0.137 1.00 1.41 C ATOM 145 O GLU A 10 80.031 -9.929 -0.474 1.00 1.54 O ATOM 146 CB GLU A 10 81.669 -7.163 -0.543 1.00 1.68 C ATOM 147 CG GLU A 10 82.566 -8.395 -0.409 1.00 2.16 C ATOM 148 CD GLU A 10 82.619 -9.137 -1.745 1.00 2.64 C ATOM 149 OE1 GLU A 10 82.742 -8.476 -2.763 1.00 3.13 O ATOM 150 OE2 GLU A 10 82.536 -10.354 -1.729 1.00 3.13 O ATOM 0 H GLU A 10 79.861 -5.628 -0.252 1.00 1.28 H new ATOM 0 HA GLU A 10 80.240 -7.908 -2.017 1.00 1.44 H new ATOM 0 HB2 GLU A 10 82.089 -6.473 -1.275 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.621 -6.630 0.407 1.00 1.68 H new ATOM 0 HG2 GLU A 10 83.570 -8.096 -0.107 1.00 2.16 H new ATOM 0 HG3 GLU A 10 82.182 -9.054 0.370 1.00 2.16 H new ATOM 157 N GLN A 11 79.122 -8.528 0.954 1.00 1.37 N ATOM 158 CA GLN A 11 78.635 -9.646 1.811 1.00 1.43 C ATOM 159 C GLN A 11 77.417 -10.317 1.170 1.00 1.24 C ATOM 160 O GLN A 11 77.251 -11.518 1.238 1.00 1.31 O ATOM 161 CB GLN A 11 78.248 -8.988 3.137 1.00 1.58 C ATOM 162 CG GLN A 11 79.504 -8.446 3.823 1.00 1.88 C ATOM 163 CD GLN A 11 79.447 -8.766 5.317 1.00 2.09 C ATOM 164 OE1 GLN A 11 78.797 -9.708 5.726 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.107 -8.016 6.158 1.00 2.48 N ATOM 0 H GLN A 11 78.892 -7.592 1.288 1.00 1.37 H new ATOM 0 HA GLN A 11 79.389 -10.422 1.944 1.00 1.43 H new ATOM 0 HB2 GLN A 11 77.539 -8.179 2.961 1.00 1.58 H new ATOM 0 HB3 GLN A 11 77.751 -9.712 3.783 1.00 1.58 H new ATOM 0 HG2 GLN A 11 80.395 -8.891 3.379 1.00 1.88 H new ATOM 0 HG3 GLN A 11 79.577 -7.369 3.673 1.00 1.88 H new ATOM 0 HE21 GLN A 11 80.653 -7.225 5.816 1.00 2.48 H new ATOM 0 HE22 GLN A 11 80.077 -8.221 7.157 1.00 2.48 H new ATOM 174 N LEU A 12 76.564 -9.549 0.547 1.00 1.24 N ATOM 175 CA LEU A 12 75.358 -10.145 -0.098 1.00 1.13 C ATOM 176 C LEU A 12 75.770 -11.021 -1.283 1.00 1.02 C ATOM 177 O LEU A 12 76.730 -10.738 -1.973 1.00 1.28 O ATOM 178 CB LEU A 12 74.533 -8.948 -0.573 1.00 1.12 C ATOM 179 CG LEU A 12 74.206 -8.049 0.619 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.531 -6.768 0.125 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.261 -8.788 1.570 1.00 1.49 C ATOM 0 H LEU A 12 76.650 -8.537 0.457 1.00 1.24 H new ATOM 0 HA LEU A 12 74.795 -10.782 0.584 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.087 -8.386 -1.325 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.613 -9.292 -1.046 1.00 1.12 H new ATOM 0 HG LEU A 12 75.127 -7.794 1.144 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.298 -6.128 0.976 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.203 -6.241 -0.553 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.610 -7.021 -0.401 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.027 -8.148 2.421 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.341 -9.043 1.044 1.00 1.49 H new ATOM 0 HD23 LEU A 12 73.741 -9.700 1.924 1.00 1.49 H new ATOM 193 N THR A 13 75.053 -12.084 -1.526 1.00 0.93 N ATOM 194 CA THR A 13 75.406 -12.977 -2.666 1.00 0.93 C ATOM 195 C THR A 13 74.560 -12.629 -3.894 1.00 0.88 C ATOM 196 O THR A 13 73.512 -12.023 -3.786 1.00 0.86 O ATOM 197 CB THR A 13 75.084 -14.391 -2.177 1.00 1.03 C ATOM 198 OG1 THR A 13 73.923 -14.354 -1.357 1.00 1.13 O ATOM 199 CG2 THR A 13 76.264 -14.935 -1.370 1.00 1.20 C ATOM 0 H THR A 13 74.238 -12.373 -0.985 1.00 0.93 H new ATOM 0 HA THR A 13 76.450 -12.875 -2.961 1.00 0.93 H new ATOM 0 HB THR A 13 74.903 -15.040 -3.034 1.00 1.03 H new ATOM 0 HG1 THR A 13 73.714 -15.259 -1.044 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.034 -15.942 -1.022 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.153 -14.963 -2.000 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.447 -14.288 -0.512 1.00 1.20 H new ATOM 207 N GLU A 14 75.007 -13.007 -5.060 1.00 0.88 N ATOM 208 CA GLU A 14 74.229 -12.696 -6.294 1.00 0.87 C ATOM 209 C GLU A 14 72.748 -13.021 -6.082 1.00 0.82 C ATOM 210 O GLU A 14 71.876 -12.357 -6.603 1.00 0.79 O ATOM 211 CB GLU A 14 74.826 -13.596 -7.377 1.00 0.99 C ATOM 212 CG GLU A 14 74.407 -15.046 -7.126 1.00 1.98 C ATOM 213 CD GLU A 14 75.214 -15.977 -8.033 1.00 2.36 C ATOM 214 OE1 GLU A 14 75.391 -15.636 -9.191 1.00 3.17 O ATOM 215 OE2 GLU A 14 75.642 -17.014 -7.553 1.00 2.36 O ATOM 0 H GLU A 14 75.877 -13.518 -5.212 1.00 0.88 H new ATOM 0 HA GLU A 14 74.287 -11.641 -6.563 1.00 0.87 H new ATOM 0 HB2 GLU A 14 74.486 -13.273 -8.361 1.00 0.99 H new ATOM 0 HB3 GLU A 14 75.913 -13.515 -7.373 1.00 0.99 H new ATOM 0 HG2 GLU A 14 74.572 -15.307 -6.081 1.00 1.98 H new ATOM 0 HG3 GLU A 14 73.341 -15.166 -7.320 1.00 1.98 H new ATOM 222 N GLU A 15 72.458 -14.040 -5.319 1.00 0.85 N ATOM 223 CA GLU A 15 71.033 -14.407 -5.075 1.00 0.84 C ATOM 224 C GLU A 15 70.322 -13.281 -4.318 1.00 0.76 C ATOM 225 O GLU A 15 69.202 -12.924 -4.626 1.00 0.70 O ATOM 226 CB GLU A 15 71.091 -15.675 -4.223 1.00 0.92 C ATOM 227 CG GLU A 15 71.132 -16.901 -5.137 1.00 1.49 C ATOM 228 CD GLU A 15 69.708 -17.284 -5.544 1.00 1.88 C ATOM 229 OE1 GLU A 15 68.830 -16.446 -5.415 1.00 2.62 O ATOM 230 OE2 GLU A 15 69.519 -18.407 -5.979 1.00 2.07 O ATOM 0 H GLU A 15 73.145 -14.634 -4.854 1.00 0.85 H new ATOM 0 HA GLU A 15 70.481 -14.565 -6.001 1.00 0.84 H new ATOM 0 HB2 GLU A 15 71.973 -15.656 -3.583 1.00 0.92 H new ATOM 0 HB3 GLU A 15 70.222 -15.726 -3.567 1.00 0.92 H new ATOM 0 HG2 GLU A 15 71.729 -16.687 -6.023 1.00 1.49 H new ATOM 0 HG3 GLU A 15 71.611 -17.735 -4.623 1.00 1.49 H new ATOM 237 N GLN A 16 70.963 -12.721 -3.328 1.00 0.79 N ATOM 238 CA GLN A 16 70.321 -11.620 -2.553 1.00 0.74 C ATOM 239 C GLN A 16 70.137 -10.388 -3.442 1.00 0.68 C ATOM 240 O GLN A 16 69.136 -9.702 -3.370 1.00 0.67 O ATOM 241 CB GLN A 16 71.295 -11.318 -1.414 1.00 0.79 C ATOM 242 CG GLN A 16 71.497 -12.576 -0.567 1.00 0.88 C ATOM 243 CD GLN A 16 71.089 -12.289 0.879 1.00 1.70 C ATOM 244 OE1 GLN A 16 71.735 -12.736 1.805 1.00 2.53 O ATOM 245 NE2 GLN A 16 70.034 -11.556 1.111 1.00 2.20 N ATOM 0 H GLN A 16 71.902 -12.977 -3.023 1.00 0.79 H new ATOM 0 HA GLN A 16 69.334 -11.896 -2.183 1.00 0.74 H new ATOM 0 HB2 GLN A 16 72.250 -10.982 -1.818 1.00 0.79 H new ATOM 0 HB3 GLN A 16 70.908 -10.509 -0.795 1.00 0.79 H new ATOM 0 HG2 GLN A 16 70.902 -13.396 -0.968 1.00 0.88 H new ATOM 0 HG3 GLN A 16 72.540 -12.890 -0.606 1.00 0.88 H new ATOM 0 HE21 GLN A 16 69.492 -11.181 0.332 1.00 2.20 H new ATOM 0 HE22 GLN A 16 69.752 -11.358 2.071 1.00 2.20 H new ATOM 254 N LYS A 17 71.095 -10.101 -4.281 1.00 0.69 N ATOM 255 CA LYS A 17 70.973 -8.913 -5.174 1.00 0.68 C ATOM 256 C LYS A 17 69.772 -9.077 -6.108 1.00 0.62 C ATOM 257 O LYS A 17 69.022 -8.149 -6.340 1.00 0.57 O ATOM 258 CB LYS A 17 72.276 -8.883 -5.973 1.00 0.79 C ATOM 259 CG LYS A 17 73.364 -8.190 -5.151 1.00 1.01 C ATOM 260 CD LYS A 17 74.115 -7.192 -6.034 1.00 1.53 C ATOM 261 CE LYS A 17 75.622 -7.425 -5.898 1.00 1.70 C ATOM 262 NZ LYS A 17 76.261 -6.384 -6.756 1.00 2.33 N ATOM 0 H LYS A 17 71.956 -10.637 -4.387 1.00 0.69 H new ATOM 0 HA LYS A 17 70.817 -7.990 -4.616 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.585 -9.898 -6.223 1.00 0.79 H new ATOM 0 HB3 LYS A 17 72.125 -8.355 -6.915 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.919 -7.675 -4.300 1.00 1.01 H new ATOM 0 HG3 LYS A 17 74.057 -8.929 -4.749 1.00 1.01 H new ATOM 0 HD2 LYS A 17 73.810 -7.309 -7.074 1.00 1.53 H new ATOM 0 HD3 LYS A 17 73.866 -6.172 -5.742 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.942 -7.330 -4.860 1.00 1.70 H new ATOM 0 HE3 LYS A 17 75.896 -8.428 -6.226 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 77.295 -6.484 -6.711 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 75.944 -6.502 -7.739 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 75.989 -5.439 -6.416 1.00 2.33 H new ATOM 276 N ASN A 18 69.583 -10.251 -6.646 1.00 0.65 N ATOM 277 CA ASN A 18 68.430 -10.473 -7.564 1.00 0.64 C ATOM 278 C ASN A 18 67.116 -10.438 -6.777 1.00 0.58 C ATOM 279 O ASN A 18 66.087 -10.044 -7.287 1.00 0.56 O ATOM 280 CB ASN A 18 68.662 -11.861 -8.162 1.00 0.73 C ATOM 281 CG ASN A 18 69.507 -11.737 -9.431 1.00 0.91 C ATOM 282 OD1 ASN A 18 69.181 -10.977 -10.321 1.00 1.55 O ATOM 283 ND2 ASN A 18 70.590 -12.457 -9.553 1.00 1.35 N ATOM 0 H ASN A 18 70.177 -11.065 -6.490 1.00 0.65 H new ATOM 0 HA ASN A 18 68.359 -9.705 -8.334 1.00 0.64 H new ATOM 0 HB2 ASN A 18 69.167 -12.501 -7.438 1.00 0.73 H new ATOM 0 HB3 ASN A 18 67.707 -12.333 -8.393 1.00 0.73 H new ATOM 0 HD21 ASN A 18 71.161 -12.381 -10.395 1.00 1.35 H new ATOM 0 HD22 ASN A 18 70.865 -13.095 -8.806 1.00 1.35 H new ATOM 290 N GLU A 19 67.147 -10.846 -5.538 1.00 0.62 N ATOM 291 CA GLU A 19 65.901 -10.834 -4.718 1.00 0.64 C ATOM 292 C GLU A 19 65.501 -9.392 -4.391 1.00 0.58 C ATOM 293 O GLU A 19 64.334 -9.058 -4.343 1.00 0.61 O ATOM 294 CB GLU A 19 66.261 -11.594 -3.443 1.00 0.75 C ATOM 295 CG GLU A 19 64.993 -11.855 -2.627 1.00 1.47 C ATOM 296 CD GLU A 19 65.317 -11.757 -1.136 1.00 2.01 C ATOM 297 OE1 GLU A 19 65.773 -10.707 -0.716 1.00 2.64 O ATOM 298 OE2 GLU A 19 65.103 -12.735 -0.439 1.00 2.50 O ATOM 0 H GLU A 19 67.980 -11.187 -5.058 1.00 0.62 H new ATOM 0 HA GLU A 19 65.057 -11.288 -5.237 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.745 -12.538 -3.694 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.974 -11.018 -2.853 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.222 -11.131 -2.891 1.00 1.47 H new ATOM 0 HG3 GLU A 19 64.595 -12.843 -2.859 1.00 1.47 H new ATOM 305 N PHE A 20 66.461 -8.538 -4.165 1.00 0.58 N ATOM 306 CA PHE A 20 66.137 -7.119 -3.842 1.00 0.59 C ATOM 307 C PHE A 20 65.798 -6.351 -5.122 1.00 0.53 C ATOM 308 O PHE A 20 64.961 -5.470 -5.127 1.00 0.54 O ATOM 309 CB PHE A 20 67.407 -6.559 -3.201 1.00 0.67 C ATOM 310 CG PHE A 20 67.291 -6.644 -1.697 1.00 1.04 C ATOM 311 CD1 PHE A 20 66.142 -6.168 -1.055 1.00 1.85 C ATOM 312 CD2 PHE A 20 68.335 -7.196 -0.945 1.00 1.87 C ATOM 313 CE1 PHE A 20 66.035 -6.246 0.339 1.00 2.52 C ATOM 314 CE2 PHE A 20 68.228 -7.275 0.449 1.00 2.57 C ATOM 315 CZ PHE A 20 67.079 -6.798 1.090 1.00 2.67 C ATOM 0 H PHE A 20 67.456 -8.761 -4.190 1.00 0.58 H new ATOM 0 HA PHE A 20 65.275 -7.032 -3.181 1.00 0.59 H new ATOM 0 HB2 PHE A 20 68.277 -7.120 -3.542 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.556 -5.523 -3.507 1.00 0.67 H new ATOM 0 HD1 PHE A 20 65.338 -5.740 -1.635 1.00 1.85 H new ATOM 0 HD2 PHE A 20 69.223 -7.561 -1.440 1.00 1.87 H new ATOM 0 HE1 PHE A 20 65.148 -5.880 0.834 1.00 2.52 H new ATOM 0 HE2 PHE A 20 69.032 -7.704 1.029 1.00 2.57 H new ATOM 0 HZ PHE A 20 66.998 -6.856 2.165 1.00 2.67 H new ATOM 325 N LYS A 21 66.442 -6.678 -6.209 1.00 0.53 N ATOM 326 CA LYS A 21 66.158 -5.968 -7.489 1.00 0.53 C ATOM 327 C LYS A 21 64.678 -6.109 -7.857 1.00 0.50 C ATOM 328 O LYS A 21 63.985 -5.135 -8.070 1.00 0.63 O ATOM 329 CB LYS A 21 67.038 -6.664 -8.529 1.00 0.61 C ATOM 330 CG LYS A 21 66.982 -5.888 -9.847 1.00 0.68 C ATOM 331 CD LYS A 21 67.045 -6.869 -11.019 1.00 1.26 C ATOM 332 CE LYS A 21 67.472 -6.124 -12.287 1.00 1.85 C ATOM 333 NZ LYS A 21 68.958 -6.042 -12.200 1.00 1.94 N ATOM 0 H LYS A 21 67.153 -7.407 -6.266 1.00 0.53 H new ATOM 0 HA LYS A 21 66.367 -4.900 -7.425 1.00 0.53 H new ATOM 0 HB2 LYS A 21 68.066 -6.721 -8.172 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.697 -7.688 -8.683 1.00 0.61 H new ATOM 0 HG2 LYS A 21 66.064 -5.302 -9.898 1.00 0.68 H new ATOM 0 HG3 LYS A 21 67.813 -5.184 -9.903 1.00 0.68 H new ATOM 0 HD2 LYS A 21 67.752 -7.669 -10.799 1.00 1.26 H new ATOM 0 HD3 LYS A 21 66.071 -7.336 -11.169 1.00 1.26 H new ATOM 0 HE2 LYS A 21 67.157 -6.658 -13.184 1.00 1.85 H new ATOM 0 HE3 LYS A 21 67.023 -5.132 -12.333 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 69.279 -5.134 -12.591 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 69.252 -6.114 -11.205 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 69.381 -6.822 -12.743 1.00 1.94 H new ATOM 347 N ALA A 22 64.190 -7.317 -7.932 1.00 0.51 N ATOM 348 CA ALA A 22 62.756 -7.522 -8.287 1.00 0.60 C ATOM 349 C ALA A 22 61.855 -6.741 -7.326 1.00 0.51 C ATOM 350 O ALA A 22 60.817 -6.236 -7.706 1.00 0.50 O ATOM 351 CB ALA A 22 62.523 -9.026 -8.138 1.00 0.76 C ATOM 0 H ALA A 22 64.722 -8.171 -7.763 1.00 0.51 H new ATOM 0 HA ALA A 22 62.525 -7.171 -9.293 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.487 -9.260 -8.382 1.00 0.76 H new ATOM 0 HB2 ALA A 22 63.186 -9.566 -8.814 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.730 -9.326 -7.111 1.00 0.76 H new ATOM 357 N ALA A 23 62.243 -6.637 -6.085 1.00 0.51 N ATOM 358 CA ALA A 23 61.407 -5.888 -5.103 1.00 0.47 C ATOM 359 C ALA A 23 61.627 -4.381 -5.258 1.00 0.43 C ATOM 360 O ALA A 23 60.782 -3.581 -4.907 1.00 0.46 O ATOM 361 CB ALA A 23 61.887 -6.361 -3.731 1.00 0.58 C ATOM 0 H ALA A 23 63.102 -7.038 -5.708 1.00 0.51 H new ATOM 0 HA ALA A 23 60.342 -6.069 -5.247 1.00 0.47 H new ATOM 0 HB1 ALA A 23 61.318 -5.854 -2.952 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.740 -7.438 -3.645 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.946 -6.129 -3.616 1.00 0.58 H new ATOM 367 N PHE A 24 62.757 -3.987 -5.778 1.00 0.54 N ATOM 368 CA PHE A 24 63.032 -2.533 -5.951 1.00 0.56 C ATOM 369 C PHE A 24 62.116 -1.941 -7.028 1.00 0.56 C ATOM 370 O PHE A 24 61.431 -0.963 -6.804 1.00 0.60 O ATOM 371 CB PHE A 24 64.493 -2.463 -6.392 1.00 0.66 C ATOM 372 CG PHE A 24 64.935 -1.022 -6.429 1.00 0.60 C ATOM 373 CD1 PHE A 24 64.426 -0.162 -7.405 1.00 1.24 C ATOM 374 CD2 PHE A 24 65.854 -0.549 -5.487 1.00 1.45 C ATOM 375 CE1 PHE A 24 64.834 1.177 -7.442 1.00 1.24 C ATOM 376 CE2 PHE A 24 66.265 0.789 -5.522 1.00 1.61 C ATOM 377 CZ PHE A 24 65.754 1.652 -6.499 1.00 0.94 C ATOM 0 H PHE A 24 63.502 -4.610 -6.091 1.00 0.54 H new ATOM 0 HA PHE A 24 62.850 -1.966 -5.038 1.00 0.56 H new ATOM 0 HB2 PHE A 24 65.120 -3.030 -5.704 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.610 -2.916 -7.376 1.00 0.66 H new ATOM 0 HD1 PHE A 24 63.717 -0.530 -8.132 1.00 1.24 H new ATOM 0 HD2 PHE A 24 66.246 -1.215 -4.733 1.00 1.45 H new ATOM 0 HE1 PHE A 24 64.440 1.842 -8.196 1.00 1.24 H new ATOM 0 HE2 PHE A 24 66.976 1.155 -4.796 1.00 1.61 H new ATOM 0 HZ PHE A 24 66.070 2.685 -6.525 1.00 0.94 H new ATOM 387 N ASP A 25 62.101 -2.526 -8.195 1.00 0.58 N ATOM 388 CA ASP A 25 61.231 -1.996 -9.285 1.00 0.64 C ATOM 389 C ASP A 25 59.773 -1.934 -8.823 1.00 0.66 C ATOM 390 O ASP A 25 58.948 -1.276 -9.425 1.00 0.76 O ATOM 391 CB ASP A 25 61.388 -2.992 -10.434 1.00 0.68 C ATOM 392 CG ASP A 25 61.705 -2.237 -11.725 1.00 1.05 C ATOM 393 OD1 ASP A 25 60.843 -1.508 -12.189 1.00 1.78 O ATOM 394 OD2 ASP A 25 62.805 -2.399 -12.228 1.00 1.58 O ATOM 0 H ASP A 25 62.653 -3.348 -8.441 1.00 0.58 H new ATOM 0 HA ASP A 25 61.510 -0.984 -9.579 1.00 0.64 H new ATOM 0 HB2 ASP A 25 62.186 -3.700 -10.209 1.00 0.68 H new ATOM 0 HB3 ASP A 25 60.473 -3.571 -10.555 1.00 0.68 H new ATOM 399 N ILE A 26 59.446 -2.620 -7.761 1.00 0.61 N ATOM 400 CA ILE A 26 58.039 -2.601 -7.267 1.00 0.67 C ATOM 401 C ILE A 26 57.537 -1.160 -7.136 1.00 0.73 C ATOM 402 O ILE A 26 56.398 -0.861 -7.434 1.00 0.99 O ATOM 403 CB ILE A 26 58.093 -3.274 -5.896 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.483 -4.743 -6.065 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.718 -3.188 -5.230 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.379 -5.480 -6.826 1.00 0.84 C ATOM 0 H ILE A 26 60.091 -3.192 -7.215 1.00 0.61 H new ATOM 0 HA ILE A 26 57.358 -3.111 -7.948 1.00 0.67 H new ATOM 0 HB ILE A 26 58.832 -2.769 -5.273 1.00 0.70 H new ATOM 0 HG12 ILE A 26 59.426 -4.820 -6.606 1.00 0.66 H new ATOM 0 HG13 ILE A 26 58.637 -5.204 -5.089 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.757 -3.668 -4.252 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.437 -2.142 -5.110 1.00 0.83 H new ATOM 0 HG23 ILE A 26 55.980 -3.693 -5.853 1.00 0.83 H new ATOM 0 HD11 ILE A 26 57.657 -6.527 -6.947 1.00 0.84 H new ATOM 0 HD12 ILE A 26 56.446 -5.414 -6.267 1.00 0.84 H new ATOM 0 HD13 ILE A 26 57.247 -5.024 -7.807 1.00 0.84 H new ATOM 418 N PHE A 27 58.375 -0.265 -6.690 1.00 0.57 N ATOM 419 CA PHE A 27 57.939 1.153 -6.539 1.00 0.63 C ATOM 420 C PHE A 27 58.954 2.094 -7.191 1.00 0.59 C ATOM 421 O PHE A 27 59.352 3.089 -6.617 1.00 0.67 O ATOM 422 CB PHE A 27 57.875 1.388 -5.030 1.00 0.70 C ATOM 423 CG PHE A 27 56.822 0.489 -4.428 1.00 0.67 C ATOM 424 CD1 PHE A 27 55.474 0.674 -4.755 1.00 1.17 C ATOM 425 CD2 PHE A 27 57.195 -0.533 -3.545 1.00 1.44 C ATOM 426 CE1 PHE A 27 54.497 -0.161 -4.198 1.00 1.20 C ATOM 427 CE2 PHE A 27 56.219 -1.367 -2.989 1.00 1.65 C ATOM 428 CZ PHE A 27 54.870 -1.182 -3.316 1.00 1.09 C ATOM 0 H PHE A 27 59.341 -0.453 -6.424 1.00 0.57 H new ATOM 0 HA PHE A 27 56.980 1.344 -7.021 1.00 0.63 H new ATOM 0 HB2 PHE A 27 58.845 1.184 -4.577 1.00 0.70 H new ATOM 0 HB3 PHE A 27 57.640 2.432 -4.823 1.00 0.70 H new ATOM 0 HD1 PHE A 27 55.187 1.461 -5.437 1.00 1.17 H new ATOM 0 HD2 PHE A 27 58.235 -0.677 -3.294 1.00 1.44 H new ATOM 0 HE1 PHE A 27 53.456 -0.017 -4.449 1.00 1.20 H new ATOM 0 HE2 PHE A 27 56.506 -2.154 -2.307 1.00 1.65 H new ATOM 0 HZ PHE A 27 54.117 -1.827 -2.888 1.00 1.09 H new ATOM 438 N VAL A 28 59.373 1.790 -8.388 1.00 0.58 N ATOM 439 CA VAL A 28 60.360 2.667 -9.082 1.00 0.59 C ATOM 440 C VAL A 28 59.647 3.839 -9.754 1.00 0.64 C ATOM 441 O VAL A 28 60.262 4.718 -10.324 1.00 0.73 O ATOM 442 CB VAL A 28 61.016 1.761 -10.118 1.00 0.60 C ATOM 443 CG1 VAL A 28 60.078 1.568 -11.312 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.327 2.390 -10.594 1.00 1.37 C ATOM 0 H VAL A 28 59.074 0.971 -8.917 1.00 0.58 H new ATOM 0 HA VAL A 28 61.090 3.101 -8.398 1.00 0.59 H new ATOM 0 HB VAL A 28 61.221 0.792 -9.664 1.00 0.60 H new ATOM 0 HG11 VAL A 28 60.554 0.920 -12.048 1.00 1.41 H new ATOM 0 HG12 VAL A 28 59.148 1.111 -10.974 1.00 1.41 H new ATOM 0 HG13 VAL A 28 59.863 2.535 -11.766 1.00 1.41 H new ATOM 0 HG21 VAL A 28 62.794 1.741 -11.334 1.00 1.37 H new ATOM 0 HG22 VAL A 28 62.122 3.363 -11.042 1.00 1.37 H new ATOM 0 HG23 VAL A 28 63.000 2.515 -9.745 1.00 1.37 H new ATOM 454 N LEU A 29 58.354 3.846 -9.685 1.00 0.75 N ATOM 455 CA LEU A 29 57.568 4.951 -10.311 1.00 0.91 C ATOM 456 C LEU A 29 57.690 4.888 -11.836 1.00 1.10 C ATOM 457 O LEU A 29 57.688 5.900 -12.511 1.00 1.54 O ATOM 458 CB LEU A 29 58.192 6.241 -9.775 1.00 1.17 C ATOM 459 CG LEU A 29 57.145 7.022 -8.979 1.00 1.49 C ATOM 460 CD1 LEU A 29 56.813 6.267 -7.691 1.00 2.09 C ATOM 461 CD2 LEU A 29 57.699 8.405 -8.628 1.00 1.73 C ATOM 0 H LEU A 29 57.796 3.131 -9.219 1.00 0.75 H new ATOM 0 HA LEU A 29 56.506 4.886 -10.074 1.00 0.91 H new ATOM 0 HB2 LEU A 29 59.047 6.008 -9.140 1.00 1.17 H new ATOM 0 HB3 LEU A 29 58.564 6.848 -10.600 1.00 1.17 H new ATOM 0 HG LEU A 29 56.242 7.132 -9.579 1.00 1.49 H new ATOM 0 HD11 LEU A 29 56.067 6.824 -7.125 1.00 2.09 H new ATOM 0 HD12 LEU A 29 56.419 5.281 -7.938 1.00 2.09 H new ATOM 0 HD13 LEU A 29 57.716 6.157 -7.091 1.00 2.09 H new ATOM 0 HD21 LEU A 29 56.954 8.962 -8.061 1.00 1.73 H new ATOM 0 HD22 LEU A 29 58.603 8.294 -8.029 1.00 1.73 H new ATOM 0 HD23 LEU A 29 57.936 8.945 -9.544 1.00 1.73 H new ATOM 473 N GLY A 30 57.791 3.709 -12.385 1.00 1.47 N ATOM 474 CA GLY A 30 57.911 3.583 -13.866 1.00 1.89 C ATOM 475 C GLY A 30 59.001 4.529 -14.373 1.00 1.94 C ATOM 476 O GLY A 30 58.834 5.206 -15.368 1.00 2.46 O ATOM 0 H GLY A 30 57.796 2.827 -11.873 1.00 1.47 H new ATOM 0 HA2 GLY A 30 58.153 2.555 -14.136 1.00 1.89 H new ATOM 0 HA3 GLY A 30 56.959 3.821 -14.340 1.00 1.89 H new ATOM 480 N ALA A 31 60.117 4.579 -13.699 1.00 1.89 N ATOM 481 CA ALA A 31 61.217 5.480 -14.145 1.00 2.14 C ATOM 482 C ALA A 31 62.428 4.656 -14.593 1.00 2.28 C ATOM 483 O ALA A 31 63.008 3.917 -13.822 1.00 2.46 O ATOM 484 CB ALA A 31 61.566 6.320 -12.915 1.00 1.97 C ATOM 0 H ALA A 31 60.315 4.035 -12.859 1.00 1.89 H new ATOM 0 HA ALA A 31 60.924 6.100 -14.992 1.00 2.14 H new ATOM 0 HB1 ALA A 31 62.371 7.011 -13.163 1.00 1.97 H new ATOM 0 HB2 ALA A 31 60.688 6.884 -12.598 1.00 1.97 H new ATOM 0 HB3 ALA A 31 61.887 5.664 -12.106 1.00 1.97 H new ATOM 490 N GLU A 32 62.812 4.777 -15.834 1.00 2.73 N ATOM 491 CA GLU A 32 63.983 3.999 -16.332 1.00 2.98 C ATOM 492 C GLU A 32 65.177 4.177 -15.389 1.00 2.33 C ATOM 493 O GLU A 32 66.079 3.363 -15.356 1.00 2.34 O ATOM 494 CB GLU A 32 64.293 4.588 -17.708 1.00 3.71 C ATOM 495 CG GLU A 32 64.731 6.045 -17.552 1.00 4.48 C ATOM 496 CD GLU A 32 64.805 6.708 -18.930 1.00 5.14 C ATOM 497 OE1 GLU A 32 63.765 6.863 -19.548 1.00 5.71 O ATOM 498 OE2 GLU A 32 65.901 7.049 -19.343 1.00 5.38 O ATOM 0 H GLU A 32 62.366 5.381 -16.525 1.00 2.73 H new ATOM 0 HA GLU A 32 63.777 2.930 -16.383 1.00 2.98 H new ATOM 0 HB2 GLU A 32 65.080 4.011 -18.194 1.00 3.71 H new ATOM 0 HB3 GLU A 32 63.413 4.528 -18.348 1.00 3.71 H new ATOM 0 HG2 GLU A 32 64.026 6.581 -16.916 1.00 4.48 H new ATOM 0 HG3 GLU A 32 65.703 6.093 -17.061 1.00 4.48 H new ATOM 505 N ASP A 33 65.191 5.234 -14.625 1.00 2.13 N ATOM 506 CA ASP A 33 66.328 5.462 -13.687 1.00 2.25 C ATOM 507 C ASP A 33 66.434 4.307 -12.689 1.00 1.67 C ATOM 508 O ASP A 33 67.434 4.144 -12.019 1.00 2.00 O ATOM 509 CB ASP A 33 65.990 6.766 -12.964 1.00 3.20 C ATOM 510 CG ASP A 33 67.148 7.753 -13.123 1.00 3.87 C ATOM 511 OD1 ASP A 33 68.204 7.493 -12.569 1.00 4.49 O ATOM 512 OD2 ASP A 33 66.959 8.753 -13.796 1.00 4.16 O ATOM 0 H ASP A 33 64.465 5.950 -14.609 1.00 2.13 H new ATOM 0 HA ASP A 33 67.285 5.519 -14.206 1.00 2.25 H new ATOM 0 HB2 ASP A 33 65.075 7.194 -13.373 1.00 3.20 H new ATOM 0 HB3 ASP A 33 65.807 6.571 -11.907 1.00 3.20 H new ATOM 517 N GLY A 34 65.412 3.502 -12.585 1.00 1.10 N ATOM 518 CA GLY A 34 65.459 2.359 -11.630 1.00 1.18 C ATOM 519 C GLY A 34 65.653 2.889 -10.209 1.00 0.92 C ATOM 520 O GLY A 34 66.344 2.297 -9.404 1.00 1.03 O ATOM 0 H GLY A 34 64.547 3.586 -13.120 1.00 1.10 H new ATOM 0 HA2 GLY A 34 64.536 1.782 -11.691 1.00 1.18 H new ATOM 0 HA3 GLY A 34 66.275 1.685 -11.893 1.00 1.18 H new ATOM 524 N CYS A 35 65.048 4.000 -9.895 1.00 0.78 N ATOM 525 CA CYS A 35 65.197 4.569 -8.524 1.00 0.68 C ATOM 526 C CYS A 35 63.820 4.786 -7.892 1.00 0.69 C ATOM 527 O CYS A 35 62.867 5.135 -8.560 1.00 0.89 O ATOM 528 CB CYS A 35 65.915 5.904 -8.723 1.00 0.78 C ATOM 529 SG CYS A 35 67.410 5.644 -9.709 1.00 1.27 S ATOM 0 H CYS A 35 64.457 4.540 -10.527 1.00 0.78 H new ATOM 0 HA CYS A 35 65.751 3.907 -7.859 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.255 6.613 -9.223 1.00 0.78 H new ATOM 0 HB3 CYS A 35 66.174 6.337 -7.757 1.00 0.78 H new ATOM 0 HG CYS A 35 67.231 4.636 -10.510 1.00 1.27 H new ATOM 535 N ILE A 36 63.706 4.583 -6.608 1.00 0.57 N ATOM 536 CA ILE A 36 62.388 4.778 -5.938 1.00 0.57 C ATOM 537 C ILE A 36 62.436 6.003 -5.022 1.00 0.50 C ATOM 538 O ILE A 36 63.491 6.515 -4.709 1.00 0.60 O ATOM 539 CB ILE A 36 62.166 3.505 -5.122 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.257 3.387 -4.055 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.224 2.288 -6.048 1.00 0.72 C ATOM 542 CD1 ILE A 36 62.977 2.171 -3.170 1.00 0.75 C ATOM 0 H ILE A 36 64.467 4.291 -5.994 1.00 0.57 H new ATOM 0 HA ILE A 36 61.583 4.949 -6.653 1.00 0.57 H new ATOM 0 HB ILE A 36 61.189 3.548 -4.640 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.234 3.288 -4.528 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.287 4.292 -3.449 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.066 1.380 -5.466 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.447 2.372 -6.808 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.200 2.244 -6.530 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.754 2.087 -2.410 1.00 0.75 H new ATOM 0 HD12 ILE A 36 62.008 2.289 -2.686 1.00 0.75 H new ATOM 0 HD13 ILE A 36 62.970 1.269 -3.782 1.00 0.75 H new ATOM 554 N SER A 37 61.298 6.477 -4.591 1.00 0.54 N ATOM 555 CA SER A 37 61.280 7.668 -3.696 1.00 0.50 C ATOM 556 C SER A 37 61.492 7.240 -2.241 1.00 0.48 C ATOM 557 O SER A 37 61.021 6.205 -1.814 1.00 0.60 O ATOM 558 CB SER A 37 59.892 8.279 -3.881 1.00 0.55 C ATOM 559 OG SER A 37 59.599 9.125 -2.776 1.00 1.02 O ATOM 0 H SER A 37 60.382 6.091 -4.820 1.00 0.54 H new ATOM 0 HA SER A 37 62.072 8.378 -3.935 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.854 8.848 -4.810 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.143 7.491 -3.959 1.00 0.55 H new ATOM 0 HG SER A 37 58.710 9.520 -2.893 1.00 1.02 H new ATOM 565 N THR A 38 62.198 8.028 -1.478 1.00 0.48 N ATOM 566 CA THR A 38 62.440 7.664 -0.052 1.00 0.53 C ATOM 567 C THR A 38 61.128 7.240 0.616 1.00 0.53 C ATOM 568 O THR A 38 61.124 6.527 1.600 1.00 0.59 O ATOM 569 CB THR A 38 62.985 8.938 0.596 1.00 0.64 C ATOM 570 OG1 THR A 38 62.031 9.982 0.456 1.00 0.62 O ATOM 571 CG2 THR A 38 64.291 9.342 -0.088 1.00 0.85 C ATOM 0 H THR A 38 62.618 8.908 -1.779 1.00 0.48 H new ATOM 0 HA THR A 38 63.132 6.828 0.049 1.00 0.53 H new ATOM 0 HB THR A 38 63.174 8.757 1.654 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.377 10.799 0.872 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.678 10.250 0.375 1.00 0.85 H new ATOM 0 HG22 THR A 38 65.021 8.540 0.020 1.00 0.85 H new ATOM 0 HG23 THR A 38 64.106 9.525 -1.147 1.00 0.85 H new ATOM 579 N LYS A 39 60.016 7.672 0.089 1.00 0.60 N ATOM 580 CA LYS A 39 58.707 7.292 0.694 1.00 0.73 C ATOM 581 C LYS A 39 58.337 5.858 0.304 1.00 0.66 C ATOM 582 O LYS A 39 57.422 5.273 0.846 1.00 0.87 O ATOM 583 CB LYS A 39 57.700 8.283 0.108 1.00 0.90 C ATOM 584 CG LYS A 39 56.657 8.640 1.167 1.00 1.78 C ATOM 585 CD LYS A 39 56.118 10.047 0.898 1.00 2.12 C ATOM 586 CE LYS A 39 56.677 11.017 1.941 1.00 2.70 C ATOM 587 NZ LYS A 39 57.031 12.242 1.175 1.00 2.96 N ATOM 0 H LYS A 39 59.956 8.271 -0.734 1.00 0.60 H new ATOM 0 HA LYS A 39 58.730 7.327 1.783 1.00 0.73 H new ATOM 0 HB2 LYS A 39 58.214 9.183 -0.229 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.213 7.849 -0.765 1.00 0.90 H new ATOM 0 HG2 LYS A 39 55.842 7.917 1.148 1.00 1.78 H new ATOM 0 HG3 LYS A 39 57.102 8.593 2.161 1.00 1.78 H new ATOM 0 HD2 LYS A 39 56.401 10.371 -0.104 1.00 2.12 H new ATOM 0 HD3 LYS A 39 55.029 10.044 0.936 1.00 2.12 H new ATOM 0 HE2 LYS A 39 55.940 11.234 2.714 1.00 2.70 H new ATOM 0 HE3 LYS A 39 57.550 10.598 2.442 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 57.422 12.956 1.823 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 57.740 12.006 0.451 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 56.179 12.622 0.715 1.00 2.96 H new ATOM 601 N GLU A 40 59.043 5.289 -0.636 1.00 0.52 N ATOM 602 CA GLU A 40 58.730 3.894 -1.062 1.00 0.56 C ATOM 603 C GLU A 40 59.584 2.892 -0.278 1.00 0.52 C ATOM 604 O GLU A 40 59.127 1.830 0.092 1.00 0.59 O ATOM 605 CB GLU A 40 59.080 3.847 -2.549 1.00 0.71 C ATOM 606 CG GLU A 40 58.288 4.923 -3.295 1.00 1.06 C ATOM 607 CD GLU A 40 56.792 4.711 -3.056 1.00 1.41 C ATOM 608 OE1 GLU A 40 56.360 3.571 -3.105 1.00 1.60 O ATOM 609 OE2 GLU A 40 56.104 5.693 -2.829 1.00 2.23 O ATOM 0 H GLU A 40 59.822 5.729 -1.127 1.00 0.52 H new ATOM 0 HA GLU A 40 57.688 3.632 -0.878 1.00 0.56 H new ATOM 0 HB2 GLU A 40 60.149 4.007 -2.687 1.00 0.71 H new ATOM 0 HB3 GLU A 40 58.850 2.863 -2.957 1.00 0.71 H new ATOM 0 HG2 GLU A 40 58.586 5.913 -2.951 1.00 1.06 H new ATOM 0 HG3 GLU A 40 58.507 4.877 -4.362 1.00 1.06 H new ATOM 616 N LEU A 41 60.821 3.223 -0.029 1.00 0.51 N ATOM 617 CA LEU A 41 61.707 2.290 0.727 1.00 0.54 C ATOM 618 C LEU A 41 60.955 1.678 1.913 1.00 0.56 C ATOM 619 O LEU A 41 60.999 0.485 2.140 1.00 0.70 O ATOM 620 CB LEU A 41 62.864 3.160 1.220 1.00 0.62 C ATOM 621 CG LEU A 41 64.191 2.446 0.958 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.313 3.160 1.713 1.00 1.18 C ATOM 623 CD2 LEU A 41 64.097 0.996 1.442 1.00 1.40 C ATOM 0 H LEU A 41 61.258 4.099 -0.316 1.00 0.51 H new ATOM 0 HA LEU A 41 62.050 1.459 0.110 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.851 4.123 0.710 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.752 3.362 2.285 1.00 0.62 H new ATOM 0 HG LEU A 41 64.404 2.460 -0.111 1.00 0.64 H new ATOM 0 HD11 LEU A 41 66.259 2.651 1.526 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.383 4.192 1.370 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.099 3.146 2.782 1.00 1.18 H new ATOM 0 HD21 LEU A 41 65.043 0.488 1.255 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.883 0.982 2.511 1.00 1.40 H new ATOM 0 HD23 LEU A 41 63.298 0.484 0.905 1.00 1.40 H new ATOM 635 N GLY A 42 60.272 2.486 2.677 1.00 0.57 N ATOM 636 CA GLY A 42 59.526 1.952 3.852 1.00 0.60 C ATOM 637 C GLY A 42 58.775 0.677 3.458 1.00 0.55 C ATOM 638 O GLY A 42 59.138 -0.414 3.850 1.00 0.57 O ATOM 0 H GLY A 42 60.198 3.494 2.538 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.218 1.740 4.667 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.823 2.700 4.218 1.00 0.60 H new ATOM 642 N LYS A 43 57.728 0.808 2.692 1.00 0.57 N ATOM 643 CA LYS A 43 56.947 -0.394 2.278 1.00 0.58 C ATOM 644 C LYS A 43 57.880 -1.485 1.744 1.00 0.56 C ATOM 645 O LYS A 43 57.650 -2.662 1.939 1.00 0.60 O ATOM 646 CB LYS A 43 56.016 0.101 1.171 1.00 0.65 C ATOM 647 CG LYS A 43 54.649 -0.570 1.312 1.00 0.99 C ATOM 648 CD LYS A 43 53.748 0.287 2.203 1.00 1.28 C ATOM 649 CE LYS A 43 52.747 1.051 1.334 1.00 1.53 C ATOM 650 NZ LYS A 43 52.783 2.449 1.847 1.00 1.86 N ATOM 0 H LYS A 43 57.378 1.696 2.334 1.00 0.57 H new ATOM 0 HA LYS A 43 56.398 -0.831 3.112 1.00 0.58 H new ATOM 0 HB2 LYS A 43 55.908 1.184 1.230 1.00 0.65 H new ATOM 0 HB3 LYS A 43 56.444 -0.124 0.194 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.192 -0.698 0.331 1.00 0.99 H new ATOM 0 HG3 LYS A 43 54.763 -1.565 1.742 1.00 0.99 H new ATOM 0 HD2 LYS A 43 53.218 -0.344 2.917 1.00 1.28 H new ATOM 0 HD3 LYS A 43 54.351 0.986 2.782 1.00 1.28 H new ATOM 0 HE2 LYS A 43 53.025 1.009 0.281 1.00 1.53 H new ATOM 0 HE3 LYS A 43 51.747 0.626 1.416 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 52.121 3.036 1.300 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 52.507 2.458 2.850 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 53.746 2.830 1.749 1.00 1.86 H new ATOM 664 N VAL A 44 58.928 -1.104 1.068 1.00 0.54 N ATOM 665 CA VAL A 44 59.870 -2.121 0.518 1.00 0.56 C ATOM 666 C VAL A 44 60.640 -2.803 1.654 1.00 0.59 C ATOM 667 O VAL A 44 60.901 -3.989 1.615 1.00 0.57 O ATOM 668 CB VAL A 44 60.818 -1.327 -0.382 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.080 -2.146 -0.653 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.120 -1.019 -1.708 1.00 1.36 C ATOM 0 H VAL A 44 59.174 -0.134 0.872 1.00 0.54 H new ATOM 0 HA VAL A 44 59.356 -2.912 -0.028 1.00 0.56 H new ATOM 0 HB VAL A 44 61.091 -0.396 0.115 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.753 -1.577 -1.295 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.579 -2.368 0.290 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.809 -3.079 -1.148 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.794 -0.453 -2.351 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.847 -1.952 -2.201 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.221 -0.432 -1.518 1.00 1.36 H new ATOM 680 N MET A 45 61.009 -2.063 2.663 1.00 0.74 N ATOM 681 CA MET A 45 61.764 -2.673 3.797 1.00 0.84 C ATOM 682 C MET A 45 60.872 -3.652 4.564 1.00 0.86 C ATOM 683 O MET A 45 61.330 -4.661 5.064 1.00 0.89 O ATOM 684 CB MET A 45 62.161 -1.495 4.687 1.00 0.96 C ATOM 685 CG MET A 45 63.582 -1.050 4.341 1.00 1.12 C ATOM 686 SD MET A 45 64.407 -0.446 5.835 1.00 1.48 S ATOM 687 CE MET A 45 65.654 0.572 5.008 1.00 0.73 C ATOM 0 H MET A 45 60.822 -1.064 2.753 1.00 0.74 H new ATOM 0 HA MET A 45 62.632 -3.238 3.458 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.465 -0.668 4.546 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.104 -1.783 5.737 1.00 0.96 H new ATOM 0 HG2 MET A 45 64.142 -1.883 3.915 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.555 -0.265 3.585 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.310 1.021 5.754 1.00 0.73 H new ATOM 0 HE2 MET A 45 66.243 -0.050 4.334 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.161 1.359 4.437 1.00 0.73 H new ATOM 697 N ARG A 46 59.604 -3.363 4.663 1.00 0.94 N ATOM 698 CA ARG A 46 58.686 -4.280 5.400 1.00 1.04 C ATOM 699 C ARG A 46 58.511 -5.588 4.625 1.00 1.00 C ATOM 700 O ARG A 46 58.621 -6.666 5.175 1.00 1.04 O ATOM 701 CB ARG A 46 57.359 -3.527 5.485 1.00 1.21 C ATOM 702 CG ARG A 46 57.611 -2.097 5.969 1.00 1.04 C ATOM 703 CD ARG A 46 56.362 -1.572 6.678 1.00 1.77 C ATOM 704 NE ARG A 46 56.798 -1.299 8.074 1.00 2.29 N ATOM 705 CZ ARG A 46 55.968 -1.478 9.065 1.00 2.76 C ATOM 706 NH1 ARG A 46 55.192 -2.528 9.084 1.00 3.45 N ATOM 707 NH2 ARG A 46 55.913 -0.608 10.035 1.00 3.10 N ATOM 0 H ARG A 46 59.163 -2.533 4.267 1.00 0.94 H new ATOM 0 HA ARG A 46 59.070 -4.544 6.386 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.875 -3.511 4.509 1.00 1.21 H new ATOM 0 HB3 ARG A 46 56.682 -4.039 6.168 1.00 1.21 H new ATOM 0 HG2 ARG A 46 58.463 -2.076 6.648 1.00 1.04 H new ATOM 0 HG3 ARG A 46 57.860 -1.454 5.125 1.00 1.04 H new ATOM 0 HD2 ARG A 46 55.986 -0.668 6.198 1.00 1.77 H new ATOM 0 HD3 ARG A 46 55.556 -2.305 6.652 1.00 1.77 H new ATOM 0 HE ARG A 46 57.747 -0.972 8.257 1.00 2.29 H new ATOM 0 HH11 ARG A 46 55.235 -3.208 8.325 1.00 3.45 H new ATOM 0 HH12 ARG A 46 54.543 -2.669 9.858 1.00 3.45 H new ATOM 0 HH21 ARG A 46 56.519 0.212 10.019 1.00 3.10 H new ATOM 0 HH22 ARG A 46 55.264 -0.748 10.809 1.00 3.10 H new ATOM 721 N MET A 47 58.238 -5.502 3.352 1.00 0.98 N ATOM 722 CA MET A 47 58.054 -6.740 2.542 1.00 1.04 C ATOM 723 C MET A 47 59.162 -7.749 2.852 1.00 0.99 C ATOM 724 O MET A 47 58.974 -8.944 2.743 1.00 1.07 O ATOM 725 CB MET A 47 58.142 -6.276 1.088 1.00 1.19 C ATOM 726 CG MET A 47 57.090 -5.194 0.833 1.00 1.37 C ATOM 727 SD MET A 47 55.843 -5.824 -0.319 1.00 1.89 S ATOM 728 CE MET A 47 56.797 -5.585 -1.838 1.00 1.30 C ATOM 0 H MET A 47 58.134 -4.628 2.837 1.00 0.98 H new ATOM 0 HA MET A 47 57.108 -7.236 2.757 1.00 1.04 H new ATOM 0 HB2 MET A 47 59.138 -5.886 0.879 1.00 1.19 H new ATOM 0 HB3 MET A 47 57.982 -7.119 0.416 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.619 -4.902 1.771 1.00 1.37 H new ATOM 0 HG3 MET A 47 57.563 -4.302 0.422 1.00 1.37 H new ATOM 0 HE1 MET A 47 56.207 -5.914 -2.694 1.00 1.30 H new ATOM 0 HE2 MET A 47 57.042 -4.529 -1.951 1.00 1.30 H new ATOM 0 HE3 MET A 47 57.717 -6.168 -1.785 1.00 1.30 H new ATOM 738 N LEU A 48 60.318 -7.280 3.235 1.00 0.93 N ATOM 739 CA LEU A 48 61.435 -8.216 3.550 1.00 0.98 C ATOM 740 C LEU A 48 61.546 -8.420 5.064 1.00 1.32 C ATOM 741 O LEU A 48 62.346 -9.200 5.537 1.00 1.80 O ATOM 742 CB LEU A 48 62.690 -7.533 3.006 1.00 1.21 C ATOM 743 CG LEU A 48 62.961 -8.025 1.584 1.00 1.28 C ATOM 744 CD1 LEU A 48 62.541 -6.950 0.581 1.00 2.11 C ATOM 745 CD2 LEU A 48 64.455 -8.316 1.422 1.00 1.86 C ATOM 0 H LEU A 48 60.538 -6.290 3.343 1.00 0.93 H new ATOM 0 HA LEU A 48 61.284 -9.201 3.109 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.559 -6.451 3.009 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.544 -7.752 3.647 1.00 1.21 H new ATOM 0 HG LEU A 48 62.390 -8.935 1.401 1.00 1.28 H new ATOM 0 HD11 LEU A 48 62.735 -7.302 -0.432 1.00 2.11 H new ATOM 0 HD12 LEU A 48 61.477 -6.741 0.695 1.00 2.11 H new ATOM 0 HD13 LEU A 48 63.111 -6.039 0.764 1.00 2.11 H new ATOM 0 HD21 LEU A 48 64.650 -8.667 0.409 1.00 1.86 H new ATOM 0 HD22 LEU A 48 65.025 -7.405 1.606 1.00 1.86 H new ATOM 0 HD23 LEU A 48 64.756 -9.083 2.136 1.00 1.86 H new ATOM 757 N GLY A 49 60.748 -7.724 5.826 1.00 1.36 N ATOM 758 CA GLY A 49 60.808 -7.880 7.307 1.00 1.95 C ATOM 759 C GLY A 49 61.245 -6.560 7.944 1.00 1.43 C ATOM 760 O GLY A 49 60.576 -6.023 8.804 1.00 1.92 O ATOM 0 H GLY A 49 60.057 -7.054 5.487 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.832 -8.176 7.692 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.508 -8.673 7.571 1.00 1.95 H new ATOM 764 N GLN A 50 62.366 -6.035 7.529 1.00 1.21 N ATOM 765 CA GLN A 50 62.847 -4.749 8.112 1.00 1.01 C ATOM 766 C GLN A 50 61.683 -3.764 8.259 1.00 1.02 C ATOM 767 O GLN A 50 60.958 -3.500 7.320 1.00 1.23 O ATOM 768 CB GLN A 50 63.874 -4.220 7.109 1.00 1.43 C ATOM 769 CG GLN A 50 65.285 -4.493 7.633 1.00 1.58 C ATOM 770 CD GLN A 50 65.390 -5.953 8.078 1.00 2.45 C ATOM 771 OE1 GLN A 50 65.446 -6.239 9.258 1.00 3.08 O ATOM 772 NE2 GLN A 50 65.417 -6.897 7.177 1.00 3.14 N ATOM 0 H GLN A 50 62.969 -6.440 6.813 1.00 1.21 H new ATOM 0 HA GLN A 50 63.276 -4.881 9.105 1.00 1.01 H new ATOM 0 HB2 GLN A 50 63.734 -4.701 6.141 1.00 1.43 H new ATOM 0 HB3 GLN A 50 63.732 -3.150 6.956 1.00 1.43 H new ATOM 0 HG2 GLN A 50 66.020 -4.285 6.855 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.509 -3.830 8.469 1.00 1.58 H new ATOM 0 HE21 GLN A 50 65.370 -6.658 6.186 1.00 3.14 H new ATOM 0 HE22 GLN A 50 65.485 -7.874 7.463 1.00 3.14 H new ATOM 781 N ASN A 51 61.499 -3.221 9.432 1.00 0.98 N ATOM 782 CA ASN A 51 60.383 -2.256 9.639 1.00 1.08 C ATOM 783 C ASN A 51 60.832 -1.117 10.560 1.00 0.93 C ATOM 784 O ASN A 51 60.271 -0.915 11.619 1.00 1.15 O ATOM 785 CB ASN A 51 59.270 -3.075 10.298 1.00 1.52 C ATOM 786 CG ASN A 51 59.701 -3.481 11.708 1.00 1.82 C ATOM 787 OD1 ASN A 51 60.599 -4.283 11.874 1.00 2.25 O ATOM 788 ND2 ASN A 51 59.095 -2.960 12.738 1.00 2.47 N ATOM 0 H ASN A 51 62.073 -3.404 10.255 1.00 0.98 H new ATOM 0 HA ASN A 51 60.054 -1.797 8.707 1.00 1.08 H new ATOM 0 HB2 ASN A 51 58.351 -2.490 10.341 1.00 1.52 H new ATOM 0 HB3 ASN A 51 59.056 -3.962 9.702 1.00 1.52 H new ATOM 0 HD21 ASN A 51 59.375 -3.225 13.682 1.00 2.47 H new ATOM 0 HD22 ASN A 51 58.341 -2.287 12.600 1.00 2.47 H new ATOM 795 N PRO A 52 61.836 -0.410 10.118 1.00 0.72 N ATOM 796 CA PRO A 52 62.378 0.724 10.907 1.00 0.80 C ATOM 797 C PRO A 52 61.414 1.915 10.871 1.00 0.80 C ATOM 798 O PRO A 52 60.501 1.963 10.071 1.00 0.80 O ATOM 799 CB PRO A 52 63.687 1.061 10.196 1.00 0.85 C ATOM 800 CG PRO A 52 63.505 0.569 8.795 1.00 0.79 C ATOM 801 CD PRO A 52 62.556 -0.600 8.854 1.00 0.71 C ATOM 0 HA PRO A 52 62.520 0.483 11.961 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.882 2.133 10.215 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.535 0.574 10.678 1.00 0.85 H new ATOM 0 HG2 PRO A 52 63.104 1.358 8.159 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.461 0.268 8.366 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.875 -0.604 8.003 1.00 0.71 H new ATOM 0 HD3 PRO A 52 63.091 -1.550 8.838 1.00 0.71 H new ATOM 809 N THR A 53 61.610 2.874 11.735 1.00 0.87 N ATOM 810 CA THR A 53 60.703 4.060 11.754 1.00 0.92 C ATOM 811 C THR A 53 61.014 4.985 10.573 1.00 0.82 C ATOM 812 O THR A 53 62.105 4.970 10.041 1.00 0.76 O ATOM 813 CB THR A 53 61.000 4.763 13.080 1.00 1.08 C ATOM 814 OG1 THR A 53 62.289 5.358 13.019 1.00 1.26 O ATOM 815 CG2 THR A 53 60.959 3.744 14.220 1.00 1.54 C ATOM 0 H THR A 53 62.358 2.889 12.428 1.00 0.87 H new ATOM 0 HA THR A 53 59.653 3.779 11.667 1.00 0.92 H new ATOM 0 HB THR A 53 60.251 5.535 13.259 1.00 1.08 H new ATOM 0 HG1 THR A 53 62.481 5.811 13.867 1.00 1.26 H new ATOM 0 HG21 THR A 53 61.171 4.246 15.164 1.00 1.54 H new ATOM 0 HG22 THR A 53 59.970 3.288 14.265 1.00 1.54 H new ATOM 0 HG23 THR A 53 61.707 2.971 14.044 1.00 1.54 H new ATOM 823 N PRO A 54 60.032 5.763 10.206 1.00 0.82 N ATOM 824 CA PRO A 54 60.189 6.710 9.076 1.00 0.75 C ATOM 825 C PRO A 54 61.066 7.898 9.485 1.00 0.73 C ATOM 826 O PRO A 54 61.749 8.487 8.671 1.00 0.69 O ATOM 827 CB PRO A 54 58.761 7.165 8.790 1.00 0.83 C ATOM 828 CG PRO A 54 58.025 6.970 10.078 1.00 0.94 C ATOM 829 CD PRO A 54 58.693 5.831 10.804 1.00 0.93 C ATOM 0 HA PRO A 54 60.673 6.262 8.208 1.00 0.75 H new ATOM 0 HB2 PRO A 54 58.735 8.208 8.475 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.314 6.579 7.987 1.00 0.83 H new ATOM 0 HG2 PRO A 54 58.053 7.879 10.679 1.00 0.94 H new ATOM 0 HG3 PRO A 54 56.975 6.744 9.891 1.00 0.94 H new ATOM 0 HD2 PRO A 54 58.744 6.017 11.877 1.00 0.93 H new ATOM 0 HD3 PRO A 54 58.148 4.897 10.668 1.00 0.93 H new ATOM 837 N GLU A 55 61.050 8.255 10.741 1.00 0.85 N ATOM 838 CA GLU A 55 61.880 9.406 11.198 1.00 0.87 C ATOM 839 C GLU A 55 63.369 9.064 11.096 1.00 0.84 C ATOM 840 O GLU A 55 64.213 9.936 11.032 1.00 0.82 O ATOM 841 CB GLU A 55 61.480 9.630 12.657 1.00 1.02 C ATOM 842 CG GLU A 55 62.304 10.779 13.242 1.00 1.48 C ATOM 843 CD GLU A 55 62.897 10.351 14.586 1.00 2.02 C ATOM 844 OE1 GLU A 55 63.811 9.544 14.577 1.00 2.57 O ATOM 845 OE2 GLU A 55 62.425 10.839 15.601 1.00 2.53 O ATOM 0 H GLU A 55 60.499 7.800 11.469 1.00 0.85 H new ATOM 0 HA GLU A 55 61.718 10.296 10.589 1.00 0.87 H new ATOM 0 HB2 GLU A 55 60.417 9.861 12.722 1.00 1.02 H new ATOM 0 HB3 GLU A 55 61.644 8.720 13.234 1.00 1.02 H new ATOM 0 HG2 GLU A 55 63.102 11.056 12.553 1.00 1.48 H new ATOM 0 HG3 GLU A 55 61.676 11.660 13.374 1.00 1.48 H new ATOM 852 N GLU A 56 63.699 7.801 11.080 1.00 0.88 N ATOM 853 CA GLU A 56 65.134 7.407 10.984 1.00 0.91 C ATOM 854 C GLU A 56 65.593 7.433 9.524 1.00 0.80 C ATOM 855 O GLU A 56 66.635 7.967 9.199 1.00 0.81 O ATOM 856 CB GLU A 56 65.193 5.983 11.538 1.00 1.00 C ATOM 857 CG GLU A 56 65.967 5.981 12.857 1.00 1.44 C ATOM 858 CD GLU A 56 66.794 4.698 12.960 1.00 1.39 C ATOM 859 OE1 GLU A 56 66.199 3.643 13.108 1.00 2.00 O ATOM 860 OE2 GLU A 56 68.009 4.793 12.888 1.00 1.79 O ATOM 0 H GLU A 56 63.038 7.026 11.129 1.00 0.88 H new ATOM 0 HA GLU A 56 65.785 8.086 11.534 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.185 5.600 11.695 1.00 1.00 H new ATOM 0 HB3 GLU A 56 65.676 5.321 10.819 1.00 1.00 H new ATOM 0 HG2 GLU A 56 66.620 6.852 12.910 1.00 1.44 H new ATOM 0 HG3 GLU A 56 65.276 6.049 13.697 1.00 1.44 H new ATOM 867 N LEU A 57 64.823 6.859 8.641 1.00 0.75 N ATOM 868 CA LEU A 57 65.214 6.848 7.202 1.00 0.70 C ATOM 869 C LEU A 57 65.598 8.259 6.744 1.00 0.67 C ATOM 870 O LEU A 57 66.678 8.484 6.234 1.00 0.71 O ATOM 871 CB LEU A 57 63.970 6.362 6.458 1.00 0.69 C ATOM 872 CG LEU A 57 63.600 4.959 6.945 1.00 1.00 C ATOM 873 CD1 LEU A 57 62.081 4.783 6.891 1.00 1.51 C ATOM 874 CD2 LEU A 57 64.265 3.916 6.045 1.00 1.41 C ATOM 0 H LEU A 57 63.939 6.397 8.854 1.00 0.75 H new ATOM 0 HA LEU A 57 66.077 6.210 7.014 1.00 0.70 H new ATOM 0 HB2 LEU A 57 63.140 7.048 6.628 1.00 0.69 H new ATOM 0 HB3 LEU A 57 64.157 6.348 5.384 1.00 0.69 H new ATOM 0 HG LEU A 57 63.944 4.828 7.971 1.00 1.00 H new ATOM 0 HD11 LEU A 57 61.818 3.784 7.238 1.00 1.51 H new ATOM 0 HD12 LEU A 57 61.606 5.526 7.531 1.00 1.51 H new ATOM 0 HD13 LEU A 57 61.736 4.914 5.865 1.00 1.51 H new ATOM 0 HD21 LEU A 57 64.002 2.916 6.391 1.00 1.41 H new ATOM 0 HD22 LEU A 57 63.920 4.047 5.019 1.00 1.41 H new ATOM 0 HD23 LEU A 57 65.347 4.040 6.083 1.00 1.41 H new ATOM 886 N GLN A 58 64.721 9.210 6.921 1.00 0.68 N ATOM 887 CA GLN A 58 65.036 10.604 6.493 1.00 0.72 C ATOM 888 C GLN A 58 66.361 11.065 7.108 1.00 0.71 C ATOM 889 O GLN A 58 67.129 11.775 6.491 1.00 0.79 O ATOM 890 CB GLN A 58 63.878 11.451 7.022 1.00 0.79 C ATOM 891 CG GLN A 58 62.977 11.868 5.858 1.00 1.09 C ATOM 892 CD GLN A 58 63.463 13.203 5.289 1.00 1.67 C ATOM 893 OE1 GLN A 58 63.598 14.171 6.011 1.00 2.37 O ATOM 894 NE2 GLN A 58 63.734 13.296 4.016 1.00 2.20 N ATOM 0 H GLN A 58 63.801 9.083 7.343 1.00 0.68 H new ATOM 0 HA GLN A 58 65.144 10.687 5.412 1.00 0.72 H new ATOM 0 HB2 GLN A 58 63.304 10.884 7.755 1.00 0.79 H new ATOM 0 HB3 GLN A 58 64.263 12.334 7.532 1.00 0.79 H new ATOM 0 HG2 GLN A 58 62.991 11.103 5.082 1.00 1.09 H new ATOM 0 HG3 GLN A 58 61.945 11.959 6.197 1.00 1.09 H new ATOM 0 HE21 GLN A 58 63.621 12.484 3.410 1.00 2.20 H new ATOM 0 HE22 GLN A 58 64.059 14.181 3.627 1.00 2.20 H new ATOM 903 N GLU A 59 66.632 10.670 8.322 1.00 0.70 N ATOM 904 CA GLU A 59 67.906 11.091 8.976 1.00 0.72 C ATOM 905 C GLU A 59 69.110 10.588 8.176 1.00 0.73 C ATOM 906 O GLU A 59 70.163 11.197 8.174 1.00 0.75 O ATOM 907 CB GLU A 59 67.874 10.441 10.360 1.00 0.75 C ATOM 908 CG GLU A 59 67.688 11.521 11.429 1.00 1.37 C ATOM 909 CD GLU A 59 68.321 11.056 12.741 1.00 1.66 C ATOM 910 OE1 GLU A 59 68.290 9.864 13.002 1.00 2.42 O ATOM 911 OE2 GLU A 59 68.827 11.899 13.463 1.00 2.02 O ATOM 0 H GLU A 59 66.028 10.075 8.889 1.00 0.70 H new ATOM 0 HA GLU A 59 67.998 12.176 9.035 1.00 0.72 H new ATOM 0 HB2 GLU A 59 67.061 9.717 10.414 1.00 0.75 H new ATOM 0 HB3 GLU A 59 68.800 9.894 10.538 1.00 0.75 H new ATOM 0 HG2 GLU A 59 68.147 12.454 11.102 1.00 1.37 H new ATOM 0 HG3 GLU A 59 66.627 11.723 11.576 1.00 1.37 H new ATOM 918 N MET A 60 68.968 9.482 7.499 1.00 0.79 N ATOM 919 CA MET A 60 70.110 8.944 6.705 1.00 0.84 C ATOM 920 C MET A 60 70.006 9.397 5.246 1.00 0.82 C ATOM 921 O MET A 60 70.995 9.695 4.607 1.00 0.96 O ATOM 922 CB MET A 60 69.981 7.424 6.806 1.00 0.93 C ATOM 923 CG MET A 60 70.943 6.899 7.874 1.00 1.27 C ATOM 924 SD MET A 60 70.015 6.498 9.375 1.00 1.65 S ATOM 925 CE MET A 60 69.302 4.940 8.792 1.00 0.97 C ATOM 0 H MET A 60 68.112 8.928 7.461 1.00 0.79 H new ATOM 0 HA MET A 60 71.072 9.298 7.076 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.956 7.152 7.059 1.00 0.93 H new ATOM 0 HB3 MET A 60 70.204 6.965 5.843 1.00 0.93 H new ATOM 0 HG2 MET A 60 71.463 6.014 7.507 1.00 1.27 H new ATOM 0 HG3 MET A 60 71.704 7.648 8.093 1.00 1.27 H new ATOM 0 HE1 MET A 60 68.214 5.009 8.808 1.00 0.97 H new ATOM 0 HE2 MET A 60 69.639 4.744 7.774 1.00 0.97 H new ATOM 0 HE3 MET A 60 69.623 4.127 9.443 1.00 0.97 H new ATOM 935 N ILE A 61 68.816 9.449 4.713 1.00 0.76 N ATOM 936 CA ILE A 61 68.653 9.880 3.295 1.00 0.78 C ATOM 937 C ILE A 61 69.141 11.321 3.119 1.00 0.77 C ATOM 938 O ILE A 61 69.493 11.739 2.034 1.00 0.82 O ATOM 939 CB ILE A 61 67.152 9.787 3.023 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.708 8.326 3.118 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.853 10.319 1.621 1.00 0.89 C ATOM 942 CD1 ILE A 61 65.179 8.255 3.087 1.00 0.98 C ATOM 0 H ILE A 61 67.950 9.212 5.197 1.00 0.76 H new ATOM 0 HA ILE A 61 69.232 9.263 2.608 1.00 0.78 H new ATOM 0 HB ILE A 61 66.612 10.381 3.760 1.00 0.81 H new ATOM 0 HG12 ILE A 61 67.126 7.753 2.290 1.00 0.90 H new ATOM 0 HG13 ILE A 61 67.085 7.879 4.038 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.782 10.253 1.427 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.170 11.359 1.551 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.393 9.725 0.884 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.862 7.214 3.155 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.772 8.814 3.929 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.814 8.686 2.155 1.00 0.98 H new ATOM 954 N ASP A 62 69.162 12.085 4.176 1.00 0.82 N ATOM 955 CA ASP A 62 69.624 13.498 4.065 1.00 0.90 C ATOM 956 C ASP A 62 71.073 13.549 3.574 1.00 0.85 C ATOM 957 O ASP A 62 71.452 14.424 2.819 1.00 0.91 O ATOM 958 CB ASP A 62 69.520 14.060 5.484 1.00 1.03 C ATOM 959 CG ASP A 62 68.843 15.432 5.443 1.00 1.58 C ATOM 960 OD1 ASP A 62 67.887 15.575 4.699 1.00 2.24 O ATOM 961 OD2 ASP A 62 69.293 16.314 6.156 1.00 2.06 O ATOM 0 H ASP A 62 68.879 11.793 5.111 1.00 0.82 H new ATOM 0 HA ASP A 62 69.029 14.070 3.353 1.00 0.90 H new ATOM 0 HB2 ASP A 62 68.948 13.379 6.115 1.00 1.03 H new ATOM 0 HB3 ASP A 62 70.513 14.146 5.926 1.00 1.03 H new ATOM 966 N GLU A 63 71.887 12.621 3.996 1.00 0.84 N ATOM 967 CA GLU A 63 73.312 12.622 3.553 1.00 0.91 C ATOM 968 C GLU A 63 73.538 11.551 2.482 1.00 1.01 C ATOM 969 O GLU A 63 74.583 11.489 1.864 1.00 1.32 O ATOM 970 CB GLU A 63 74.118 12.301 4.811 1.00 0.99 C ATOM 971 CG GLU A 63 73.915 10.831 5.185 1.00 1.35 C ATOM 972 CD GLU A 63 74.682 10.522 6.473 1.00 1.55 C ATOM 973 OE1 GLU A 63 75.685 11.174 6.713 1.00 2.00 O ATOM 974 OE2 GLU A 63 74.254 9.637 7.195 1.00 2.14 O ATOM 0 H GLU A 63 71.629 11.863 4.627 1.00 0.84 H new ATOM 0 HA GLU A 63 73.605 13.575 3.112 1.00 0.91 H new ATOM 0 HB2 GLU A 63 75.176 12.501 4.639 1.00 0.99 H new ATOM 0 HB3 GLU A 63 73.801 12.944 5.633 1.00 0.99 H new ATOM 0 HG2 GLU A 63 72.854 10.623 5.322 1.00 1.35 H new ATOM 0 HG3 GLU A 63 74.265 10.188 4.378 1.00 1.35 H new ATOM 981 N VAL A 64 72.569 10.706 2.257 1.00 0.92 N ATOM 982 CA VAL A 64 72.734 9.641 1.227 1.00 1.07 C ATOM 983 C VAL A 64 72.238 10.140 -0.134 1.00 1.13 C ATOM 984 O VAL A 64 72.896 9.977 -1.142 1.00 1.54 O ATOM 985 CB VAL A 64 71.874 8.476 1.716 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.838 7.383 0.647 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.472 7.909 3.005 1.00 1.42 C ATOM 0 H VAL A 64 71.671 10.707 2.741 1.00 0.92 H new ATOM 0 HA VAL A 64 73.777 9.350 1.099 1.00 1.07 H new ATOM 0 HB VAL A 64 70.861 8.828 1.908 1.00 1.23 H new ATOM 0 HG11 VAL A 64 71.225 6.552 0.996 1.00 2.24 H new ATOM 0 HG12 VAL A 64 71.413 7.787 -0.272 1.00 2.24 H new ATOM 0 HG13 VAL A 64 72.851 7.030 0.454 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.860 7.078 3.355 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.485 7.557 2.812 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.497 8.687 3.768 1.00 1.42 H new ATOM 997 N ASP A 65 71.081 10.743 -0.170 1.00 1.00 N ATOM 998 CA ASP A 65 70.546 11.250 -1.467 1.00 1.14 C ATOM 999 C ASP A 65 71.611 12.078 -2.191 1.00 1.45 C ATOM 1000 O ASP A 65 71.746 13.265 -1.966 1.00 1.74 O ATOM 1001 CB ASP A 65 69.352 12.125 -1.088 1.00 1.21 C ATOM 1002 CG ASP A 65 68.097 11.616 -1.800 1.00 2.09 C ATOM 1003 OD1 ASP A 65 67.918 10.411 -1.850 1.00 2.83 O ATOM 1004 OD2 ASP A 65 67.339 12.440 -2.283 1.00 2.63 O ATOM 0 H ASP A 65 70.484 10.907 0.640 1.00 1.00 H new ATOM 0 HA ASP A 65 70.261 10.442 -2.140 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.203 12.107 -0.008 1.00 1.21 H new ATOM 0 HB3 ASP A 65 69.545 13.161 -1.365 1.00 1.21 H new ATOM 1043 N SER A 69 66.878 13.897 -5.121 1.00 1.42 N ATOM 1044 CA SER A 69 65.805 14.803 -4.623 1.00 1.79 C ATOM 1045 C SER A 69 64.737 13.999 -3.877 1.00 1.42 C ATOM 1046 O SER A 69 63.561 14.299 -3.941 1.00 1.97 O ATOM 1047 CB SER A 69 65.213 15.445 -5.877 1.00 2.79 C ATOM 1048 OG SER A 69 66.170 15.392 -6.928 1.00 3.72 O ATOM 0 HA SER A 69 66.186 15.548 -3.925 1.00 1.79 H new ATOM 0 HB2 SER A 69 64.303 14.923 -6.172 1.00 2.79 H new ATOM 0 HB3 SER A 69 64.936 16.479 -5.674 1.00 2.79 H new ATOM 0 HG SER A 69 66.810 14.671 -6.752 1.00 3.72 H new ATOM 1054 N GLY A 70 65.137 12.977 -3.169 1.00 1.01 N ATOM 1055 CA GLY A 70 64.145 12.155 -2.420 1.00 1.07 C ATOM 1056 C GLY A 70 63.969 10.804 -3.117 1.00 0.84 C ATOM 1057 O GLY A 70 62.914 10.202 -3.066 1.00 0.87 O ATOM 0 H GLY A 70 66.107 12.676 -3.077 1.00 1.01 H new ATOM 0 HA2 GLY A 70 64.482 12.005 -1.394 1.00 1.07 H new ATOM 0 HA3 GLY A 70 63.189 12.677 -2.369 1.00 1.07 H new ATOM 1061 N THR A 71 64.991 10.322 -3.768 1.00 0.70 N ATOM 1062 CA THR A 71 64.877 9.010 -4.467 1.00 0.55 C ATOM 1063 C THR A 71 66.174 8.210 -4.312 1.00 0.54 C ATOM 1064 O THR A 71 67.259 8.730 -4.477 1.00 0.72 O ATOM 1065 CB THR A 71 64.639 9.361 -5.936 1.00 0.60 C ATOM 1066 OG1 THR A 71 65.658 10.244 -6.382 1.00 0.83 O ATOM 1067 CG2 THR A 71 63.274 10.035 -6.086 1.00 0.81 C ATOM 0 H THR A 71 65.900 10.779 -3.847 1.00 0.70 H new ATOM 0 HA THR A 71 64.074 8.396 -4.058 1.00 0.55 H new ATOM 0 HB THR A 71 64.660 8.451 -6.536 1.00 0.60 H new ATOM 0 HG1 THR A 71 66.506 10.011 -5.949 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.105 10.285 -7.133 1.00 0.81 H new ATOM 0 HG22 THR A 71 62.493 9.355 -5.744 1.00 0.81 H new ATOM 0 HG23 THR A 71 63.250 10.945 -5.487 1.00 0.81 H new ATOM 1075 N VAL A 72 66.067 6.948 -3.997 1.00 0.52 N ATOM 1076 CA VAL A 72 67.296 6.116 -3.832 1.00 0.65 C ATOM 1077 C VAL A 72 67.445 5.126 -4.985 1.00 0.56 C ATOM 1078 O VAL A 72 66.507 4.830 -5.697 1.00 0.57 O ATOM 1079 CB VAL A 72 67.122 5.346 -2.518 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.571 6.225 -1.358 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.657 4.944 -2.319 1.00 1.23 C ATOM 0 H VAL A 72 65.186 6.457 -3.847 1.00 0.52 H new ATOM 0 HA VAL A 72 68.186 6.745 -3.823 1.00 0.65 H new ATOM 0 HB VAL A 72 67.729 4.441 -2.556 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.449 5.681 -0.421 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.620 6.492 -1.489 1.00 1.52 H new ATOM 0 HG13 VAL A 72 66.966 7.131 -1.333 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.554 4.398 -1.381 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.035 5.839 -2.289 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.339 4.308 -3.145 1.00 1.23 H new ATOM 1091 N ASP A 73 68.625 4.603 -5.155 1.00 0.64 N ATOM 1092 CA ASP A 73 68.864 3.614 -6.237 1.00 0.70 C ATOM 1093 C ASP A 73 69.485 2.356 -5.634 1.00 0.70 C ATOM 1094 O ASP A 73 69.843 2.330 -4.472 1.00 0.71 O ATOM 1095 CB ASP A 73 69.844 4.296 -7.193 1.00 0.85 C ATOM 1096 CG ASP A 73 70.984 4.924 -6.392 1.00 1.25 C ATOM 1097 OD1 ASP A 73 71.624 4.203 -5.644 1.00 1.72 O ATOM 1098 OD2 ASP A 73 71.199 6.115 -6.539 1.00 1.91 O ATOM 0 H ASP A 73 69.442 4.821 -4.584 1.00 0.64 H new ATOM 0 HA ASP A 73 67.950 3.317 -6.751 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.241 3.570 -7.903 1.00 0.85 H new ATOM 0 HB3 ASP A 73 69.329 5.061 -7.774 1.00 0.85 H new ATOM 1103 N PHE A 74 69.621 1.314 -6.400 1.00 0.81 N ATOM 1104 CA PHE A 74 70.226 0.070 -5.845 1.00 0.87 C ATOM 1105 C PHE A 74 71.574 0.390 -5.196 1.00 0.76 C ATOM 1106 O PHE A 74 72.079 -0.360 -4.385 1.00 0.74 O ATOM 1107 CB PHE A 74 70.412 -0.850 -7.051 1.00 1.04 C ATOM 1108 CG PHE A 74 70.432 -2.286 -6.592 1.00 1.34 C ATOM 1109 CD1 PHE A 74 69.378 -2.787 -5.819 1.00 2.16 C ATOM 1110 CD2 PHE A 74 71.502 -3.116 -6.940 1.00 2.11 C ATOM 1111 CE1 PHE A 74 69.393 -4.121 -5.394 1.00 3.14 C ATOM 1112 CE2 PHE A 74 71.520 -4.450 -6.515 1.00 3.02 C ATOM 1113 CZ PHE A 74 70.465 -4.952 -5.742 1.00 3.42 C ATOM 0 H PHE A 74 69.342 1.267 -7.380 1.00 0.81 H new ATOM 0 HA PHE A 74 69.604 -0.390 -5.077 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.604 -0.697 -7.766 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.342 -0.609 -7.565 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.553 -2.144 -5.550 1.00 2.16 H new ATOM 0 HD2 PHE A 74 72.315 -2.728 -7.537 1.00 2.11 H new ATOM 0 HE1 PHE A 74 68.579 -4.508 -4.799 1.00 3.14 H new ATOM 0 HE2 PHE A 74 72.347 -5.091 -6.783 1.00 3.02 H new ATOM 0 HZ PHE A 74 70.478 -5.981 -5.414 1.00 3.42 H new ATOM 1123 N ASP A 75 72.159 1.499 -5.551 1.00 0.79 N ATOM 1124 CA ASP A 75 73.476 1.874 -4.961 1.00 0.78 C ATOM 1125 C ASP A 75 73.289 2.490 -3.570 1.00 0.71 C ATOM 1126 O ASP A 75 74.035 2.206 -2.655 1.00 0.67 O ATOM 1127 CB ASP A 75 74.061 2.904 -5.928 1.00 0.96 C ATOM 1128 CG ASP A 75 75.577 2.722 -6.010 1.00 1.50 C ATOM 1129 OD1 ASP A 75 76.174 2.426 -4.989 1.00 1.99 O ATOM 1130 OD2 ASP A 75 76.115 2.882 -7.094 1.00 2.18 O ATOM 0 H ASP A 75 71.782 2.164 -6.226 1.00 0.79 H new ATOM 0 HA ASP A 75 74.129 1.010 -4.835 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.616 2.785 -6.916 1.00 0.96 H new ATOM 0 HB3 ASP A 75 73.823 3.913 -5.590 1.00 0.96 H new ATOM 1135 N GLU A 76 72.306 3.335 -3.403 1.00 0.74 N ATOM 1136 CA GLU A 76 72.089 3.964 -2.069 1.00 0.72 C ATOM 1137 C GLU A 76 71.222 3.060 -1.188 1.00 0.61 C ATOM 1138 O GLU A 76 71.547 2.792 -0.049 1.00 0.60 O ATOM 1139 CB GLU A 76 71.368 5.279 -2.367 1.00 0.82 C ATOM 1140 CG GLU A 76 72.223 6.128 -3.309 1.00 0.96 C ATOM 1141 CD GLU A 76 71.859 7.604 -3.139 1.00 1.36 C ATOM 1142 OE1 GLU A 76 70.684 7.889 -2.970 1.00 2.14 O ATOM 1143 OE2 GLU A 76 72.760 8.425 -3.181 1.00 2.01 O ATOM 0 H GLU A 76 71.647 3.615 -4.130 1.00 0.74 H new ATOM 0 HA GLU A 76 73.023 4.123 -1.530 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.397 5.079 -2.821 1.00 0.82 H new ATOM 0 HB3 GLU A 76 71.181 5.822 -1.440 1.00 0.82 H new ATOM 0 HG2 GLU A 76 73.281 5.976 -3.093 1.00 0.96 H new ATOM 0 HG3 GLU A 76 72.061 5.819 -4.342 1.00 0.96 H new ATOM 1150 N PHE A 77 70.120 2.591 -1.706 1.00 0.60 N ATOM 1151 CA PHE A 77 69.233 1.708 -0.897 1.00 0.54 C ATOM 1152 C PHE A 77 70.060 0.649 -0.160 1.00 0.48 C ATOM 1153 O PHE A 77 69.930 0.470 1.035 1.00 0.55 O ATOM 1154 CB PHE A 77 68.302 1.050 -1.915 1.00 0.61 C ATOM 1155 CG PHE A 77 67.502 -0.036 -1.237 1.00 0.67 C ATOM 1156 CD1 PHE A 77 67.026 0.156 0.065 1.00 1.52 C ATOM 1157 CD2 PHE A 77 67.235 -1.233 -1.910 1.00 1.30 C ATOM 1158 CE1 PHE A 77 66.283 -0.851 0.694 1.00 1.78 C ATOM 1159 CE2 PHE A 77 66.493 -2.240 -1.282 1.00 1.38 C ATOM 1160 CZ PHE A 77 66.017 -2.048 0.021 1.00 1.25 C ATOM 0 H PHE A 77 69.796 2.781 -2.654 1.00 0.60 H new ATOM 0 HA PHE A 77 68.683 2.261 -0.136 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.633 1.794 -2.346 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.883 0.630 -2.736 1.00 0.61 H new ATOM 0 HD1 PHE A 77 67.232 1.080 0.585 1.00 1.52 H new ATOM 0 HD2 PHE A 77 67.602 -1.380 -2.915 1.00 1.30 H new ATOM 0 HE1 PHE A 77 65.915 -0.703 1.699 1.00 1.78 H new ATOM 0 HE2 PHE A 77 66.288 -3.164 -1.802 1.00 1.38 H new ATOM 0 HZ PHE A 77 65.444 -2.824 0.506 1.00 1.25 H new ATOM 1170 N LEU A 78 70.905 -0.055 -0.862 1.00 0.46 N ATOM 1171 CA LEU A 78 71.735 -1.103 -0.198 1.00 0.49 C ATOM 1172 C LEU A 78 72.482 -0.515 1.002 1.00 0.48 C ATOM 1173 O LEU A 78 72.469 -1.066 2.085 1.00 0.54 O ATOM 1174 CB LEU A 78 72.724 -1.560 -1.271 1.00 0.56 C ATOM 1175 CG LEU A 78 72.131 -2.736 -2.047 1.00 0.78 C ATOM 1176 CD1 LEU A 78 73.068 -3.115 -3.195 1.00 1.70 C ATOM 1177 CD2 LEU A 78 71.967 -3.935 -1.108 1.00 0.70 C ATOM 0 H LEU A 78 71.057 0.049 -1.865 1.00 0.46 H new ATOM 0 HA LEU A 78 71.130 -1.926 0.181 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.945 -0.737 -1.951 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.667 -1.854 -0.810 1.00 0.56 H new ATOM 0 HG LEU A 78 71.159 -2.452 -2.450 1.00 0.78 H new ATOM 0 HD11 LEU A 78 72.645 -3.954 -3.748 1.00 1.70 H new ATOM 0 HD12 LEU A 78 73.188 -2.263 -3.864 1.00 1.70 H new ATOM 0 HD13 LEU A 78 74.040 -3.399 -2.792 1.00 1.70 H new ATOM 0 HD21 LEU A 78 71.544 -4.774 -1.660 1.00 0.70 H new ATOM 0 HD22 LEU A 78 72.940 -4.218 -0.706 1.00 0.70 H new ATOM 0 HD23 LEU A 78 71.300 -3.667 -0.289 1.00 0.70 H new ATOM 1189 N VAL A 79 73.136 0.599 0.818 1.00 0.46 N ATOM 1190 CA VAL A 79 73.888 1.221 1.946 1.00 0.51 C ATOM 1191 C VAL A 79 72.974 1.402 3.162 1.00 0.53 C ATOM 1192 O VAL A 79 73.371 1.176 4.287 1.00 0.64 O ATOM 1193 CB VAL A 79 74.347 2.577 1.411 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.186 3.288 2.473 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.191 2.367 0.152 1.00 0.62 C ATOM 0 H VAL A 79 73.182 1.106 -0.066 1.00 0.46 H new ATOM 0 HA VAL A 79 74.726 0.605 2.273 1.00 0.51 H new ATOM 0 HB VAL A 79 73.476 3.186 1.169 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.513 4.255 2.091 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.586 3.437 3.371 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.058 2.680 2.715 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.519 3.333 -0.231 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.062 1.758 0.395 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.594 1.860 -0.606 1.00 0.62 H new ATOM 1205 N MET A 80 71.754 1.812 2.946 1.00 0.52 N ATOM 1206 CA MET A 80 70.820 2.008 4.092 1.00 0.60 C ATOM 1207 C MET A 80 70.498 0.666 4.756 1.00 0.62 C ATOM 1208 O MET A 80 70.509 0.542 5.964 1.00 0.71 O ATOM 1209 CB MET A 80 69.559 2.616 3.475 1.00 0.66 C ATOM 1210 CG MET A 80 69.632 4.142 3.562 1.00 1.11 C ATOM 1211 SD MET A 80 68.019 4.848 3.141 1.00 1.23 S ATOM 1212 CE MET A 80 68.452 5.435 1.486 1.00 0.86 C ATOM 0 H MET A 80 71.364 2.020 2.027 1.00 0.52 H new ATOM 0 HA MET A 80 71.247 2.647 4.865 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.464 2.305 2.435 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.674 2.253 3.998 1.00 0.66 H new ATOM 0 HG2 MET A 80 69.923 4.446 4.567 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.395 4.520 2.881 1.00 1.11 H new ATOM 0 HE1 MET A 80 67.560 5.818 0.991 1.00 0.86 H new ATOM 0 HE2 MET A 80 69.193 6.230 1.564 1.00 0.86 H new ATOM 0 HE3 MET A 80 68.864 4.611 0.904 1.00 0.86 H new ATOM 1222 N MET A 81 70.208 -0.339 3.976 1.00 0.61 N ATOM 1223 CA MET A 81 69.883 -1.671 4.565 1.00 0.72 C ATOM 1224 C MET A 81 71.032 -2.159 5.451 1.00 0.79 C ATOM 1225 O MET A 81 70.884 -2.306 6.649 1.00 0.91 O ATOM 1226 CB MET A 81 69.701 -2.600 3.364 1.00 0.75 C ATOM 1227 CG MET A 81 68.229 -2.613 2.946 1.00 1.01 C ATOM 1228 SD MET A 81 67.220 -3.232 4.315 1.00 1.71 S ATOM 1229 CE MET A 81 66.616 -4.728 3.495 1.00 1.66 C ATOM 0 H MET A 81 70.182 -0.297 2.957 1.00 0.61 H new ATOM 0 HA MET A 81 68.994 -1.636 5.194 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.323 -2.264 2.534 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.027 -3.609 3.619 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.909 -1.608 2.670 1.00 1.01 H new ATOM 0 HG3 MET A 81 68.095 -3.243 2.067 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.748 -5.111 4.031 1.00 1.66 H new ATOM 0 HE2 MET A 81 66.334 -4.492 2.469 1.00 1.66 H new ATOM 0 HE3 MET A 81 67.402 -5.483 3.491 1.00 1.66 H new ATOM 1239 N VAL A 82 72.174 -2.414 4.874 1.00 0.78 N ATOM 1240 CA VAL A 82 73.329 -2.897 5.686 1.00 0.90 C ATOM 1241 C VAL A 82 73.551 -1.985 6.896 1.00 0.94 C ATOM 1242 O VAL A 82 74.169 -2.371 7.869 1.00 1.13 O ATOM 1243 CB VAL A 82 74.530 -2.835 4.742 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.356 -3.866 3.625 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.626 -1.434 4.134 1.00 1.38 C ATOM 0 H VAL A 82 72.358 -2.309 3.876 1.00 0.78 H new ATOM 0 HA VAL A 82 73.165 -3.902 6.075 1.00 0.90 H new ATOM 0 HB VAL A 82 75.442 -3.054 5.298 1.00 0.98 H new ATOM 0 HG11 VAL A 82 75.212 -3.822 2.952 1.00 1.83 H new ATOM 0 HG12 VAL A 82 74.286 -4.864 4.058 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.445 -3.648 3.068 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.482 -1.388 3.461 1.00 1.38 H new ATOM 0 HG22 VAL A 82 73.714 -1.215 3.578 1.00 1.38 H new ATOM 0 HG23 VAL A 82 74.750 -0.700 4.930 1.00 1.38 H new ATOM 1255 N ARG A 83 73.055 -0.780 6.845 1.00 0.84 N ATOM 1256 CA ARG A 83 73.243 0.153 7.995 1.00 0.93 C ATOM 1257 C ARG A 83 72.061 0.049 8.965 1.00 0.93 C ATOM 1258 O ARG A 83 72.145 0.461 10.104 1.00 1.23 O ATOM 1259 CB ARG A 83 73.301 1.546 7.370 1.00 0.95 C ATOM 1260 CG ARG A 83 73.551 2.586 8.463 1.00 1.53 C ATOM 1261 CD ARG A 83 74.960 3.163 8.306 1.00 1.50 C ATOM 1262 NE ARG A 83 75.047 4.245 9.325 1.00 1.75 N ATOM 1263 CZ ARG A 83 75.430 3.967 10.541 1.00 2.02 C ATOM 1264 NH1 ARG A 83 76.630 3.499 10.756 1.00 2.44 N ATOM 1265 NH2 ARG A 83 74.614 4.157 11.542 1.00 2.58 N ATOM 0 H ARG A 83 72.528 -0.400 6.059 1.00 0.84 H new ATOM 0 HA ARG A 83 74.142 -0.076 8.567 1.00 0.93 H new ATOM 0 HB2 ARG A 83 74.095 1.589 6.624 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.366 1.764 6.853 1.00 0.95 H new ATOM 0 HG2 ARG A 83 72.811 3.383 8.397 1.00 1.53 H new ATOM 0 HG3 ARG A 83 73.441 2.129 9.447 1.00 1.53 H new ATOM 0 HD2 ARG A 83 75.720 2.400 8.474 1.00 1.50 H new ATOM 0 HD3 ARG A 83 75.117 3.554 7.301 1.00 1.50 H new ATOM 0 HE ARG A 83 74.807 5.204 9.073 1.00 1.75 H new ATOM 0 HH11 ARG A 83 77.267 3.351 9.974 1.00 2.44 H new ATOM 0 HH12 ARG A 83 76.930 3.282 11.706 1.00 2.44 H new ATOM 0 HH21 ARG A 83 73.677 4.523 11.374 1.00 2.58 H new ATOM 0 HH22 ARG A 83 74.914 3.940 12.492 1.00 2.58 H new ATOM 1279 N CYS A 84 70.963 -0.499 8.521 1.00 0.81 N ATOM 1280 CA CYS A 84 69.780 -0.626 9.421 1.00 0.94 C ATOM 1281 C CYS A 84 69.739 -2.024 10.045 1.00 1.01 C ATOM 1282 O CYS A 84 68.869 -2.337 10.834 1.00 1.67 O ATOM 1283 CB CYS A 84 68.568 -0.407 8.515 1.00 1.20 C ATOM 1284 SG CYS A 84 68.425 1.354 8.116 1.00 1.56 S ATOM 0 H CYS A 84 70.833 -0.863 7.577 1.00 0.81 H new ATOM 0 HA CYS A 84 69.808 0.088 10.244 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.673 -0.991 7.601 1.00 1.20 H new ATOM 0 HB3 CYS A 84 67.662 -0.753 9.012 1.00 1.20 H new ATOM 0 HG CYS A 84 69.194 1.634 7.106 1.00 1.56 H new ATOM 1290 N MET A 85 70.676 -2.865 9.702 1.00 1.25 N ATOM 1291 CA MET A 85 70.691 -4.241 10.278 1.00 1.43 C ATOM 1292 C MET A 85 72.129 -4.670 10.581 1.00 1.78 C ATOM 1293 O MET A 85 73.044 -4.373 9.838 1.00 2.66 O ATOM 1294 CB MET A 85 70.081 -5.133 9.196 1.00 1.49 C ATOM 1295 CG MET A 85 70.928 -5.047 7.925 1.00 1.71 C ATOM 1296 SD MET A 85 72.025 -6.484 7.834 1.00 1.93 S ATOM 1297 CE MET A 85 72.131 -6.573 6.029 1.00 1.59 C ATOM 0 H MET A 85 71.432 -2.660 9.048 1.00 1.25 H new ATOM 0 HA MET A 85 70.137 -4.303 11.214 1.00 1.43 H new ATOM 0 HB2 MET A 85 70.033 -6.165 9.545 1.00 1.49 H new ATOM 0 HB3 MET A 85 69.058 -4.820 8.986 1.00 1.49 H new ATOM 0 HG2 MET A 85 70.283 -5.012 7.047 1.00 1.71 H new ATOM 0 HG3 MET A 85 71.514 -4.128 7.927 1.00 1.71 H new ATOM 0 HE1 MET A 85 71.552 -7.425 5.672 1.00 1.59 H new ATOM 0 HE2 MET A 85 71.732 -5.656 5.595 1.00 1.59 H new ATOM 0 HE3 MET A 85 73.173 -6.692 5.731 1.00 1.59 H new