USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 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 40 GLN : amide:sc= 0.552 X(o=1.1,f=0.76) USER MOD Set 1.2: A 44 TYR OH : rot 30:sc= 0.513 USER MOD Set 2.1: A 14 GLN : amide:sc= -2.77! K(o=-8!,f=-1.9) USER MOD Set 2.2: A 18 ASN : amide:sc= -5.18! K(o=-8!,f=-1.9) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0436 (180deg=-0.392) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.204! (180deg=-0.46!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 138:sc= 1.04 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -8.21! C(o=-8.2!,f=-12!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc=-0.00594 (180deg=-0.258) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.664 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 49 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4!) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0159) USER MOD Single : A 58 ASN : amide:sc= -0.0618 X(o=-0.062,f=-0.0069) USER MOD Single : A 61 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0204) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.444 -10.793 -0.320 1.00 74.15 N ATOM 2 CA MET A 1 -16.664 -9.573 -0.668 1.00 23.15 C ATOM 3 C MET A 1 -17.165 -8.363 0.128 1.00 45.21 C ATOM 4 O MET A 1 -18.216 -7.796 -0.175 1.00 44.24 O ATOM 5 CB MET A 1 -16.762 -9.287 -2.171 1.00 75.20 C ATOM 6 CG MET A 1 -16.263 -10.427 -3.040 1.00 41.13 C ATOM 7 SD MET A 1 -17.235 -11.932 -2.827 1.00 73.02 S ATOM 8 CE MET A 1 -18.812 -11.431 -3.518 1.00 33.23 C ATOM 0 H1 MET A 1 -17.452 -11.443 -1.132 1.00 74.15 H new ATOM 0 H2 MET A 1 -17.006 -11.264 0.497 1.00 74.15 H new ATOM 0 H3 MET A 1 -18.420 -10.525 -0.082 1.00 74.15 H new ATOM 0 HA MET A 1 -15.621 -9.752 -0.409 1.00 23.15 H new ATOM 0 HB2 MET A 1 -17.801 -9.075 -2.425 1.00 75.20 H new ATOM 0 HB3 MET A 1 -16.188 -8.389 -2.400 1.00 75.20 H new ATOM 0 HG2 MET A 1 -16.294 -10.123 -4.086 1.00 41.13 H new ATOM 0 HG3 MET A 1 -15.220 -10.634 -2.799 1.00 41.13 H new ATOM 0 HE1 MET A 1 -19.418 -12.314 -3.719 1.00 33.23 H new ATOM 0 HE2 MET A 1 -19.332 -10.787 -2.808 1.00 33.23 H new ATOM 0 HE3 MET A 1 -18.645 -10.886 -4.447 1.00 33.23 H new ATOM 20 N SER A 2 -16.422 -7.982 1.158 1.00 41.33 N ATOM 21 CA SER A 2 -16.839 -6.896 2.053 1.00 34.24 C ATOM 22 C SER A 2 -16.141 -5.576 1.713 1.00 45.41 C ATOM 23 O SER A 2 -16.772 -4.636 1.232 1.00 3.03 O ATOM 24 CB SER A 2 -16.547 -7.273 3.513 1.00 42.25 C ATOM 25 OG SER A 2 -17.269 -8.435 3.900 1.00 31.10 O ATOM 0 H SER A 2 -15.526 -8.405 1.400 1.00 41.33 H new ATOM 0 HA SER A 2 -17.911 -6.754 1.916 1.00 34.24 H new ATOM 0 HB2 SER A 2 -15.478 -7.447 3.639 1.00 42.25 H new ATOM 0 HB3 SER A 2 -16.814 -6.442 4.166 1.00 42.25 H new ATOM 0 HG SER A 2 -17.063 -8.653 4.833 1.00 31.10 H new ATOM 31 N GLU A 3 -14.837 -5.522 1.947 1.00 63.30 N ATOM 32 CA GLU A 3 -14.065 -4.286 1.779 1.00 54.33 C ATOM 33 C GLU A 3 -13.536 -4.163 0.331 1.00 30.44 C ATOM 34 O GLU A 3 -13.076 -5.147 -0.252 1.00 41.43 O ATOM 35 CB GLU A 3 -12.902 -4.288 2.792 1.00 43.04 C ATOM 36 CG GLU A 3 -12.428 -2.904 3.232 1.00 13.11 C ATOM 37 CD GLU A 3 -11.925 -2.053 2.086 1.00 74.30 C ATOM 38 OE1 GLU A 3 -11.057 -2.531 1.333 1.00 32.01 O ATOM 39 OE2 GLU A 3 -12.416 -0.915 1.913 1.00 23.42 O ATOM 0 H GLU A 3 -14.284 -6.321 2.256 1.00 63.30 H new ATOM 0 HA GLU A 3 -14.707 -3.425 1.965 1.00 54.33 H new ATOM 0 HB2 GLU A 3 -13.210 -4.848 3.675 1.00 43.04 H new ATOM 0 HB3 GLU A 3 -12.059 -4.822 2.354 1.00 43.04 H new ATOM 0 HG2 GLU A 3 -13.250 -2.386 3.727 1.00 13.11 H new ATOM 0 HG3 GLU A 3 -11.632 -3.017 3.969 1.00 13.11 H new ATOM 46 N SER A 4 -13.596 -2.955 -0.244 1.00 31.44 N ATOM 47 CA SER A 4 -13.157 -2.732 -1.639 1.00 72.21 C ATOM 48 C SER A 4 -11.969 -1.754 -1.752 1.00 45.51 C ATOM 49 O SER A 4 -11.095 -1.938 -2.601 1.00 75.21 O ATOM 50 CB SER A 4 -14.322 -2.203 -2.493 1.00 45.34 C ATOM 51 OG SER A 4 -15.386 -3.143 -2.574 1.00 0.42 O ATOM 0 H SER A 4 -13.941 -2.118 0.227 1.00 31.44 H new ATOM 0 HA SER A 4 -12.824 -3.702 -2.008 1.00 72.21 H new ATOM 0 HB2 SER A 4 -14.692 -1.271 -2.066 1.00 45.34 H new ATOM 0 HB3 SER A 4 -13.963 -1.973 -3.496 1.00 45.34 H new ATOM 0 HG SER A 4 -16.109 -2.773 -3.122 1.00 0.42 H new ATOM 57 N ILE A 5 -11.929 -0.724 -0.899 1.00 53.13 N ATOM 58 CA ILE A 5 -10.916 0.348 -1.010 1.00 63.33 C ATOM 59 C ILE A 5 -9.506 -0.142 -0.623 1.00 64.41 C ATOM 60 O ILE A 5 -8.571 -0.065 -1.421 1.00 44.35 O ATOM 61 CB ILE A 5 -11.285 1.592 -0.144 1.00 1.32 C ATOM 62 CG1 ILE A 5 -12.532 2.315 -0.697 1.00 54.44 C ATOM 63 CG2 ILE A 5 -10.106 2.567 -0.062 1.00 72.34 C ATOM 64 CD1 ILE A 5 -13.822 1.532 -0.582 1.00 22.15 C ATOM 0 H ILE A 5 -12.582 -0.604 -0.124 1.00 53.13 H new ATOM 0 HA ILE A 5 -10.908 0.640 -2.060 1.00 63.33 H new ATOM 0 HB ILE A 5 -11.516 1.234 0.859 1.00 1.32 H new ATOM 0 HG12 ILE A 5 -12.650 3.262 -0.170 1.00 54.44 H new ATOM 0 HG13 ILE A 5 -12.361 2.554 -1.747 1.00 54.44 H new ATOM 0 HG21 ILE A 5 -10.386 3.427 0.547 1.00 72.34 H new ATOM 0 HG22 ILE A 5 -9.250 2.066 0.390 1.00 72.34 H new ATOM 0 HG23 ILE A 5 -9.841 2.903 -1.065 1.00 72.34 H new ATOM 0 HD11 ILE A 5 -14.642 2.119 -0.996 1.00 22.15 H new ATOM 0 HD12 ILE A 5 -13.730 0.597 -1.134 1.00 22.15 H new ATOM 0 HD13 ILE A 5 -14.024 1.316 0.467 1.00 22.15 H new ATOM 76 N VAL A 6 -9.357 -0.642 0.600 1.00 52.41 N ATOM 77 CA VAL A 6 -8.071 -1.174 1.067 1.00 21.42 C ATOM 78 C VAL A 6 -7.664 -2.405 0.237 1.00 40.55 C ATOM 79 O VAL A 6 -6.484 -2.626 -0.040 1.00 3.24 O ATOM 80 CB VAL A 6 -8.125 -1.554 2.570 1.00 32.03 C ATOM 81 CG1 VAL A 6 -6.764 -2.061 3.055 1.00 65.11 C ATOM 82 CG2 VAL A 6 -8.594 -0.366 3.411 1.00 12.43 C ATOM 0 H VAL A 6 -10.108 -0.692 1.289 1.00 52.41 H new ATOM 0 HA VAL A 6 -7.326 -0.388 0.938 1.00 21.42 H new ATOM 0 HB VAL A 6 -8.847 -2.362 2.690 1.00 32.03 H new ATOM 0 HG11 VAL A 6 -6.828 -2.321 4.112 1.00 65.11 H new ATOM 0 HG12 VAL A 6 -6.479 -2.943 2.481 1.00 65.11 H new ATOM 0 HG13 VAL A 6 -6.015 -1.281 2.918 1.00 65.11 H new ATOM 0 HG21 VAL A 6 -8.625 -0.654 4.462 1.00 12.43 H new ATOM 0 HG22 VAL A 6 -7.902 0.466 3.283 1.00 12.43 H new ATOM 0 HG23 VAL A 6 -9.590 -0.063 3.089 1.00 12.43 H new ATOM 92 N THR A 7 -8.658 -3.194 -0.164 1.00 30.00 N ATOM 93 CA THR A 7 -8.431 -4.322 -1.074 1.00 42.44 C ATOM 94 C THR A 7 -7.875 -3.828 -2.420 1.00 74.04 C ATOM 95 O THR A 7 -6.998 -4.458 -3.015 1.00 43.14 O ATOM 96 CB THR A 7 -9.734 -5.127 -1.323 1.00 22.23 C ATOM 97 OG1 THR A 7 -10.295 -5.559 -0.070 1.00 52.52 O ATOM 98 CG2 THR A 7 -9.472 -6.345 -2.203 1.00 2.14 C ATOM 0 H THR A 7 -9.629 -3.076 0.125 1.00 30.00 H new ATOM 0 HA THR A 7 -7.704 -4.979 -0.597 1.00 42.44 H new ATOM 0 HB THR A 7 -10.437 -4.471 -1.837 1.00 22.23 H new ATOM 0 HG1 THR A 7 -11.267 -5.432 -0.086 1.00 52.52 H new ATOM 0 HG21 THR A 7 -10.404 -6.888 -2.359 1.00 2.14 H new ATOM 0 HG22 THR A 7 -9.076 -6.020 -3.165 1.00 2.14 H new ATOM 0 HG23 THR A 7 -8.749 -6.998 -1.714 1.00 2.14 H new ATOM 106 N LYS A 8 -8.378 -2.680 -2.883 1.00 54.21 N ATOM 107 CA LYS A 8 -7.858 -2.041 -4.096 1.00 32.30 C ATOM 108 C LYS A 8 -6.395 -1.627 -3.903 1.00 40.32 C ATOM 109 O LYS A 8 -5.565 -1.811 -4.793 1.00 64.24 O ATOM 110 CB LYS A 8 -8.707 -0.818 -4.466 1.00 21.51 C ATOM 111 CG LYS A 8 -8.212 -0.082 -5.708 1.00 5.44 C ATOM 112 CD LYS A 8 -9.036 1.168 -6.000 1.00 55.14 C ATOM 113 CE LYS A 8 -8.491 1.931 -7.204 1.00 14.11 C ATOM 114 NZ LYS A 8 -9.250 3.182 -7.465 1.00 31.22 N ATOM 0 H LYS A 8 -9.144 -2.174 -2.437 1.00 54.21 H new ATOM 0 HA LYS A 8 -7.911 -2.763 -4.910 1.00 32.30 H new ATOM 0 HB2 LYS A 8 -9.736 -1.137 -4.629 1.00 21.51 H new ATOM 0 HB3 LYS A 8 -8.718 -0.126 -3.624 1.00 21.51 H new ATOM 0 HG2 LYS A 8 -7.167 0.197 -5.571 1.00 5.44 H new ATOM 0 HG3 LYS A 8 -8.254 -0.752 -6.567 1.00 5.44 H new ATOM 0 HD2 LYS A 8 -10.072 0.886 -6.186 1.00 55.14 H new ATOM 0 HD3 LYS A 8 -9.034 1.818 -5.125 1.00 55.14 H new ATOM 0 HE2 LYS A 8 -7.442 2.173 -7.034 1.00 14.11 H new ATOM 0 HE3 LYS A 8 -8.532 1.292 -8.086 1.00 14.11 H new ATOM 0 HZ1 LYS A 8 -8.846 3.668 -8.291 1.00 31.22 H new ATOM 0 HZ2 LYS A 8 -10.246 2.951 -7.653 1.00 31.22 H new ATOM 0 HZ3 LYS A 8 -9.190 3.804 -6.634 1.00 31.22 H new ATOM 128 N ILE A 9 -6.087 -1.067 -2.731 1.00 70.11 N ATOM 129 CA ILE A 9 -4.706 -0.724 -2.371 1.00 24.12 C ATOM 130 C ILE A 9 -3.776 -1.935 -2.558 1.00 14.05 C ATOM 131 O ILE A 9 -2.690 -1.820 -3.131 1.00 24.11 O ATOM 132 CB ILE A 9 -4.612 -0.218 -0.906 1.00 61.52 C ATOM 133 CG1 ILE A 9 -5.429 1.077 -0.731 1.00 13.02 C ATOM 134 CG2 ILE A 9 -3.156 -0.002 -0.493 1.00 40.13 C ATOM 135 CD1 ILE A 9 -5.404 1.637 0.677 1.00 53.10 C ATOM 0 H ILE A 9 -6.775 -0.840 -2.013 1.00 70.11 H new ATOM 0 HA ILE A 9 -4.388 0.078 -3.037 1.00 24.12 H new ATOM 0 HB ILE A 9 -5.034 -0.982 -0.253 1.00 61.52 H new ATOM 0 HG12 ILE A 9 -5.046 1.832 -1.418 1.00 13.02 H new ATOM 0 HG13 ILE A 9 -6.463 0.883 -1.015 1.00 13.02 H new ATOM 0 HG21 ILE A 9 -3.119 0.352 0.537 1.00 40.13 H new ATOM 0 HG22 ILE A 9 -2.612 -0.943 -0.573 1.00 40.13 H new ATOM 0 HG23 ILE A 9 -2.698 0.739 -1.148 1.00 40.13 H new ATOM 0 HD11 ILE A 9 -6.002 2.547 0.717 1.00 53.10 H new ATOM 0 HD12 ILE A 9 -5.816 0.902 1.368 1.00 53.10 H new ATOM 0 HD13 ILE A 9 -4.376 1.865 0.960 1.00 53.10 H new ATOM 147 N ILE A 10 -4.225 -3.101 -2.090 1.00 75.10 N ATOM 148 CA ILE A 10 -3.477 -4.351 -2.265 1.00 35.21 C ATOM 149 C ILE A 10 -3.236 -4.653 -3.760 1.00 32.41 C ATOM 150 O ILE A 10 -2.128 -5.024 -4.162 1.00 54.34 O ATOM 151 CB ILE A 10 -4.223 -5.542 -1.610 1.00 34.14 C ATOM 152 CG1 ILE A 10 -4.463 -5.265 -0.114 1.00 72.50 C ATOM 153 CG2 ILE A 10 -3.445 -6.845 -1.803 1.00 64.25 C ATOM 154 CD1 ILE A 10 -5.261 -6.345 0.594 1.00 1.43 C ATOM 0 H ILE A 10 -5.105 -3.208 -1.585 1.00 75.10 H new ATOM 0 HA ILE A 10 -2.513 -4.222 -1.773 1.00 35.21 H new ATOM 0 HB ILE A 10 -5.190 -5.654 -2.100 1.00 34.14 H new ATOM 0 HG12 ILE A 10 -3.500 -5.155 0.384 1.00 72.50 H new ATOM 0 HG13 ILE A 10 -4.986 -4.314 -0.010 1.00 72.50 H new ATOM 0 HG21 ILE A 10 -3.988 -7.666 -1.335 1.00 64.25 H new ATOM 0 HG22 ILE A 10 -3.331 -7.046 -2.868 1.00 64.25 H new ATOM 0 HG23 ILE A 10 -2.461 -6.753 -1.344 1.00 64.25 H new ATOM 0 HD11 ILE A 10 -5.387 -6.076 1.643 1.00 1.43 H new ATOM 0 HD12 ILE A 10 -6.240 -6.441 0.124 1.00 1.43 H new ATOM 0 HD13 ILE A 10 -4.730 -7.294 0.524 1.00 1.43 H new ATOM 166 N SER A 11 -4.278 -4.479 -4.576 1.00 34.12 N ATOM 167 CA SER A 11 -4.167 -4.651 -6.035 1.00 20.32 C ATOM 168 C SER A 11 -3.133 -3.687 -6.632 1.00 4.42 C ATOM 169 O SER A 11 -2.340 -4.069 -7.491 1.00 72.33 O ATOM 170 CB SER A 11 -5.526 -4.427 -6.714 1.00 32.43 C ATOM 171 OG SER A 11 -6.506 -5.336 -6.233 1.00 23.15 O ATOM 0 H SER A 11 -5.211 -4.219 -4.256 1.00 34.12 H new ATOM 0 HA SER A 11 -3.838 -5.674 -6.218 1.00 20.32 H new ATOM 0 HB2 SER A 11 -5.859 -3.404 -6.536 1.00 32.43 H new ATOM 0 HB3 SER A 11 -5.418 -4.544 -7.792 1.00 32.43 H new ATOM 0 HG SER A 11 -7.359 -5.166 -6.684 1.00 23.15 H new ATOM 177 N ILE A 12 -3.146 -2.437 -6.166 1.00 74.43 N ATOM 178 CA ILE A 12 -2.182 -1.422 -6.612 1.00 20.32 C ATOM 179 C ILE A 12 -0.738 -1.860 -6.309 1.00 70.52 C ATOM 180 O ILE A 12 0.151 -1.765 -7.165 1.00 71.02 O ATOM 181 CB ILE A 12 -2.459 -0.054 -5.930 1.00 14.12 C ATOM 182 CG1 ILE A 12 -3.883 0.429 -6.260 1.00 35.21 C ATOM 183 CG2 ILE A 12 -1.421 0.988 -6.354 1.00 75.24 C ATOM 184 CD1 ILE A 12 -4.304 1.675 -5.507 1.00 71.22 C ATOM 0 H ILE A 12 -3.817 -2.099 -5.476 1.00 74.43 H new ATOM 0 HA ILE A 12 -2.301 -1.313 -7.690 1.00 20.32 H new ATOM 0 HB ILE A 12 -2.379 -0.186 -4.851 1.00 14.12 H new ATOM 0 HG12 ILE A 12 -3.950 0.624 -7.330 1.00 35.21 H new ATOM 0 HG13 ILE A 12 -4.588 -0.372 -6.038 1.00 35.21 H new ATOM 0 HG21 ILE A 12 -1.637 1.937 -5.863 1.00 75.24 H new ATOM 0 HG22 ILE A 12 -0.426 0.648 -6.066 1.00 75.24 H new ATOM 0 HG23 ILE A 12 -1.460 1.122 -7.435 1.00 75.24 H new ATOM 0 HD11 ILE A 12 -5.319 1.949 -5.796 1.00 71.22 H new ATOM 0 HD12 ILE A 12 -4.272 1.480 -4.435 1.00 71.22 H new ATOM 0 HD13 ILE A 12 -3.625 2.493 -5.748 1.00 71.22 H new ATOM 196 N VAL A 13 -0.513 -2.351 -5.091 1.00 3.44 N ATOM 197 CA VAL A 13 0.804 -2.857 -4.689 1.00 30.32 C ATOM 198 C VAL A 13 1.241 -4.034 -5.580 1.00 62.15 C ATOM 199 O VAL A 13 2.358 -4.054 -6.108 1.00 2.42 O ATOM 200 CB VAL A 13 0.807 -3.304 -3.202 1.00 12.53 C ATOM 201 CG1 VAL A 13 2.179 -3.833 -2.786 1.00 22.52 C ATOM 202 CG2 VAL A 13 0.376 -2.153 -2.291 1.00 5.32 C ATOM 0 H VAL A 13 -1.225 -2.410 -4.363 1.00 3.44 H new ATOM 0 HA VAL A 13 1.513 -2.038 -4.810 1.00 30.32 H new ATOM 0 HB VAL A 13 0.088 -4.116 -3.097 1.00 12.53 H new ATOM 0 HG11 VAL A 13 2.149 -4.138 -1.740 1.00 22.52 H new ATOM 0 HG12 VAL A 13 2.442 -4.690 -3.407 1.00 22.52 H new ATOM 0 HG13 VAL A 13 2.925 -3.049 -2.914 1.00 22.52 H new ATOM 0 HG21 VAL A 13 0.385 -2.487 -1.254 1.00 5.32 H new ATOM 0 HG22 VAL A 13 1.066 -1.318 -2.409 1.00 5.32 H new ATOM 0 HG23 VAL A 13 -0.631 -1.833 -2.560 1.00 5.32 H new ATOM 212 N GLN A 14 0.350 -5.007 -5.746 1.00 4.44 N ATOM 213 CA GLN A 14 0.601 -6.171 -6.608 1.00 4.20 C ATOM 214 C GLN A 14 0.890 -5.724 -8.057 1.00 31.12 C ATOM 215 O GLN A 14 1.802 -6.232 -8.713 1.00 52.21 O ATOM 216 CB GLN A 14 -0.622 -7.108 -6.546 1.00 24.55 C ATOM 217 CG GLN A 14 -0.445 -8.477 -7.210 1.00 15.32 C ATOM 218 CD GLN A 14 -0.566 -8.450 -8.728 1.00 34.32 C ATOM 219 OE1 GLN A 14 -1.249 -7.606 -9.301 1.00 44.24 O ATOM 220 NE2 GLN A 14 0.077 -9.391 -9.387 1.00 43.41 N ATOM 0 H GLN A 14 -0.563 -5.017 -5.292 1.00 4.44 H new ATOM 0 HA GLN A 14 1.481 -6.708 -6.254 1.00 4.20 H new ATOM 0 HB2 GLN A 14 -0.885 -7.264 -5.500 1.00 24.55 H new ATOM 0 HB3 GLN A 14 -1.467 -6.604 -7.015 1.00 24.55 H new ATOM 0 HG2 GLN A 14 0.533 -8.876 -6.941 1.00 15.32 H new ATOM 0 HG3 GLN A 14 -1.191 -9.163 -6.809 1.00 15.32 H new ATOM 0 HE21 GLN A 14 0.636 -10.077 -8.880 1.00 43.41 H new ATOM 0 HE22 GLN A 14 0.016 -9.434 -10.404 1.00 43.41 H new ATOM 229 N GLU A 15 0.122 -4.743 -8.524 1.00 43.30 N ATOM 230 CA GLU A 15 0.249 -4.210 -9.885 1.00 24.44 C ATOM 231 C GLU A 15 1.648 -3.624 -10.151 1.00 43.12 C ATOM 232 O GLU A 15 2.300 -3.967 -11.140 1.00 61.23 O ATOM 233 CB GLU A 15 -0.820 -3.134 -10.106 1.00 73.21 C ATOM 234 CG GLU A 15 -0.818 -2.514 -11.498 1.00 4.33 C ATOM 235 CD GLU A 15 -1.924 -1.486 -11.666 1.00 54.31 C ATOM 236 OE1 GLU A 15 -3.098 -1.894 -11.818 1.00 42.31 O ATOM 237 OE2 GLU A 15 -1.634 -0.273 -11.621 1.00 24.13 O ATOM 0 H GLU A 15 -0.608 -4.292 -7.972 1.00 43.30 H new ATOM 0 HA GLU A 15 0.106 -5.034 -10.584 1.00 24.44 H new ATOM 0 HB2 GLU A 15 -1.801 -3.571 -9.919 1.00 73.21 H new ATOM 0 HB3 GLU A 15 -0.678 -2.343 -9.370 1.00 73.21 H new ATOM 0 HG2 GLU A 15 0.147 -2.042 -11.683 1.00 4.33 H new ATOM 0 HG3 GLU A 15 -0.937 -3.299 -12.245 1.00 4.33 H new ATOM 244 N ARG A 16 2.109 -2.746 -9.260 1.00 75.44 N ATOM 245 CA ARG A 16 3.439 -2.129 -9.397 1.00 32.23 C ATOM 246 C ARG A 16 4.548 -3.196 -9.419 1.00 42.32 C ATOM 247 O ARG A 16 5.536 -3.060 -10.141 1.00 72.53 O ATOM 248 CB ARG A 16 3.686 -1.117 -8.266 1.00 52.13 C ATOM 249 CG ARG A 16 2.698 0.049 -8.258 1.00 40.14 C ATOM 250 CD ARG A 16 2.774 0.871 -9.544 1.00 20.04 C ATOM 251 NE ARG A 16 1.704 1.864 -9.629 1.00 1.03 N ATOM 252 CZ ARG A 16 1.172 2.273 -10.749 1.00 55.24 C ATOM 253 NH1 ARG A 16 1.638 1.868 -11.885 1.00 41.15 N ATOM 254 NH2 ARG A 16 0.191 3.112 -10.730 1.00 60.41 N ATOM 0 H ARG A 16 1.588 -2.444 -8.437 1.00 75.44 H new ATOM 0 HA ARG A 16 3.465 -1.598 -10.349 1.00 32.23 H new ATOM 0 HB2 ARG A 16 3.631 -1.635 -7.309 1.00 52.13 H new ATOM 0 HB3 ARG A 16 4.698 -0.723 -8.357 1.00 52.13 H new ATOM 0 HG2 ARG A 16 1.685 -0.334 -8.132 1.00 40.14 H new ATOM 0 HG3 ARG A 16 2.904 0.693 -7.403 1.00 40.14 H new ATOM 0 HD2 ARG A 16 3.739 1.374 -9.595 1.00 20.04 H new ATOM 0 HD3 ARG A 16 2.717 0.203 -10.404 1.00 20.04 H new ATOM 0 HE ARG A 16 1.351 2.262 -8.759 1.00 1.03 H new ATOM 0 HH11 ARG A 16 2.428 1.223 -11.912 1.00 41.15 H new ATOM 0 HH12 ARG A 16 1.216 2.193 -12.755 1.00 41.15 H new ATOM 0 HH21 ARG A 16 -0.169 3.456 -9.840 1.00 60.41 H new ATOM 0 HH22 ARG A 16 -0.224 3.431 -11.605 1.00 60.41 H new ATOM 268 N GLN A 17 4.358 -4.266 -8.648 1.00 53.52 N ATOM 269 CA GLN A 17 5.294 -5.399 -8.641 1.00 12.11 C ATOM 270 C GLN A 17 5.285 -6.150 -9.982 1.00 24.22 C ATOM 271 O GLN A 17 6.271 -6.775 -10.363 1.00 14.32 O ATOM 272 CB GLN A 17 4.951 -6.356 -7.496 1.00 25.34 C ATOM 273 CG GLN A 17 5.267 -5.794 -6.116 1.00 74.03 C ATOM 274 CD GLN A 17 4.664 -6.622 -5.000 1.00 4.45 C ATOM 275 OE1 GLN A 17 5.261 -7.575 -4.521 1.00 1.05 O ATOM 276 NE2 GLN A 17 3.478 -6.257 -4.564 1.00 42.42 N ATOM 0 H GLN A 17 3.564 -4.376 -8.017 1.00 53.52 H new ATOM 0 HA GLN A 17 6.298 -5.002 -8.491 1.00 12.11 H new ATOM 0 HB2 GLN A 17 3.890 -6.602 -7.545 1.00 25.34 H new ATOM 0 HB3 GLN A 17 5.501 -7.287 -7.635 1.00 25.34 H new ATOM 0 HG2 GLN A 17 6.348 -5.747 -5.985 1.00 74.03 H new ATOM 0 HG3 GLN A 17 4.893 -4.772 -6.049 1.00 74.03 H new ATOM 0 HE21 GLN A 17 3.004 -5.457 -4.984 1.00 42.42 H new ATOM 0 HE22 GLN A 17 3.032 -6.774 -3.806 1.00 42.42 H new ATOM 285 N ASN A 18 4.156 -6.098 -10.693 1.00 1.10 N ATOM 286 CA ASN A 18 4.070 -6.678 -12.040 1.00 54.11 C ATOM 287 C ASN A 18 4.767 -5.778 -13.069 1.00 30.05 C ATOM 288 O ASN A 18 5.173 -6.234 -14.136 1.00 71.33 O ATOM 289 CB ASN A 18 2.606 -6.907 -12.436 1.00 32.41 C ATOM 290 CG ASN A 18 1.959 -8.047 -11.666 1.00 24.21 C ATOM 291 OD1 ASN A 18 1.051 -8.705 -12.163 1.00 71.44 O ATOM 292 ND2 ASN A 18 2.414 -8.296 -10.452 1.00 63.10 N ATOM 0 H ASN A 18 3.294 -5.664 -10.364 1.00 1.10 H new ATOM 0 HA ASN A 18 4.581 -7.641 -12.026 1.00 54.11 H new ATOM 0 HB2 ASN A 18 2.040 -5.991 -12.264 1.00 32.41 H new ATOM 0 HB3 ASN A 18 2.552 -7.119 -13.504 1.00 32.41 H new ATOM 0 HD21 ASN A 18 2.009 -9.053 -9.901 1.00 63.10 H new ATOM 0 HD22 ASN A 18 3.170 -7.732 -10.065 1.00 63.10 H new ATOM 299 N MET A 19 4.889 -4.494 -12.736 1.00 21.24 N ATOM 300 CA MET A 19 5.636 -3.542 -13.564 1.00 54.54 C ATOM 301 C MET A 19 7.150 -3.759 -13.395 1.00 65.22 C ATOM 302 O MET A 19 7.874 -3.964 -14.372 1.00 71.25 O ATOM 303 CB MET A 19 5.263 -2.102 -13.184 1.00 11.20 C ATOM 304 CG MET A 19 3.772 -1.814 -13.296 1.00 31.24 C ATOM 305 SD MET A 19 3.160 -1.933 -14.988 1.00 15.22 S ATOM 306 CE MET A 19 1.403 -1.668 -14.736 1.00 11.45 C ATOM 0 H MET A 19 4.479 -4.086 -11.896 1.00 21.24 H new ATOM 0 HA MET A 19 5.374 -3.709 -14.609 1.00 54.54 H new ATOM 0 HB2 MET A 19 5.587 -1.908 -12.161 1.00 11.20 H new ATOM 0 HB3 MET A 19 5.808 -1.411 -13.827 1.00 11.20 H new ATOM 0 HG2 MET A 19 3.223 -2.515 -12.666 1.00 31.24 H new ATOM 0 HG3 MET A 19 3.570 -0.814 -12.911 1.00 31.24 H new ATOM 0 HE1 MET A 19 0.887 -1.713 -15.695 1.00 11.45 H new ATOM 0 HE2 MET A 19 1.009 -2.441 -14.076 1.00 11.45 H new ATOM 0 HE3 MET A 19 1.244 -0.689 -14.284 1.00 11.45 H new ATOM 316 N ASP A 20 7.615 -3.714 -12.145 1.00 4.24 N ATOM 317 CA ASP A 20 9.019 -3.992 -11.815 1.00 52.54 C ATOM 318 C ASP A 20 9.122 -5.187 -10.852 1.00 53.14 C ATOM 319 O ASP A 20 8.941 -5.038 -9.642 1.00 13.31 O ATOM 320 CB ASP A 20 9.678 -2.754 -11.192 1.00 62.34 C ATOM 321 CG ASP A 20 9.568 -1.530 -12.081 1.00 4.43 C ATOM 322 OD1 ASP A 20 10.391 -1.387 -13.010 1.00 74.05 O ATOM 323 OD2 ASP A 20 8.655 -0.706 -11.860 1.00 63.41 O ATOM 0 H ASP A 20 7.036 -3.486 -11.337 1.00 4.24 H new ATOM 0 HA ASP A 20 9.544 -4.242 -12.737 1.00 52.54 H new ATOM 0 HB2 ASP A 20 9.212 -2.543 -10.230 1.00 62.34 H new ATOM 0 HB3 ASP A 20 10.730 -2.965 -10.997 1.00 62.34 H new ATOM 328 N ASP A 21 9.418 -6.370 -11.395 1.00 12.01 N ATOM 329 CA ASP A 21 9.435 -7.616 -10.606 1.00 43.42 C ATOM 330 C ASP A 21 10.482 -7.593 -9.472 1.00 1.22 C ATOM 331 O ASP A 21 10.432 -8.415 -8.552 1.00 42.41 O ATOM 332 CB ASP A 21 9.686 -8.814 -11.531 1.00 63.31 C ATOM 333 CG ASP A 21 10.997 -8.699 -12.284 1.00 41.45 C ATOM 334 OD1 ASP A 21 11.036 -7.991 -13.311 1.00 13.54 O ATOM 335 OD2 ASP A 21 11.999 -9.302 -11.851 1.00 51.14 O ATOM 0 H ASP A 21 9.651 -6.497 -12.380 1.00 12.01 H new ATOM 0 HA ASP A 21 8.458 -7.709 -10.132 1.00 43.42 H new ATOM 0 HB2 ASP A 21 9.688 -9.731 -10.941 1.00 63.31 H new ATOM 0 HB3 ASP A 21 8.866 -8.896 -12.245 1.00 63.31 H new ATOM 340 N GLY A 22 11.426 -6.656 -9.538 1.00 51.53 N ATOM 341 CA GLY A 22 12.463 -6.549 -8.515 1.00 22.04 C ATOM 342 C GLY A 22 12.423 -5.229 -7.751 1.00 13.32 C ATOM 343 O GLY A 22 13.463 -4.725 -7.317 1.00 12.05 O ATOM 0 H GLY A 22 11.494 -5.964 -10.284 1.00 51.53 H new ATOM 0 HA2 GLY A 22 12.354 -7.373 -7.809 1.00 22.04 H new ATOM 0 HA3 GLY A 22 13.440 -6.659 -8.985 1.00 22.04 H new ATOM 347 N ALA A 23 11.230 -4.663 -7.577 1.00 3.43 N ATOM 348 CA ALA A 23 11.080 -3.384 -6.870 1.00 53.35 C ATOM 349 C ALA A 23 9.840 -3.358 -5.959 1.00 20.22 C ATOM 350 O ALA A 23 8.767 -3.832 -6.335 1.00 22.54 O ATOM 351 CB ALA A 23 11.014 -2.239 -7.875 1.00 73.01 C ATOM 0 H ALA A 23 10.354 -5.064 -7.913 1.00 3.43 H new ATOM 0 HA ALA A 23 11.953 -3.264 -6.229 1.00 53.35 H new ATOM 0 HB1 ALA A 23 10.903 -1.294 -7.343 1.00 73.01 H new ATOM 0 HB2 ALA A 23 11.931 -2.218 -8.464 1.00 73.01 H new ATOM 0 HB3 ALA A 23 10.161 -2.385 -8.537 1.00 73.01 H new ATOM 357 N PRO A 24 9.981 -2.819 -4.731 1.00 21.22 N ATOM 358 CA PRO A 24 8.847 -2.597 -3.831 1.00 62.41 C ATOM 359 C PRO A 24 8.110 -1.278 -4.133 1.00 33.33 C ATOM 360 O PRO A 24 8.664 -0.367 -4.753 1.00 42.15 O ATOM 361 CB PRO A 24 9.511 -2.558 -2.453 1.00 33.33 C ATOM 362 CG PRO A 24 10.884 -2.024 -2.702 1.00 41.20 C ATOM 363 CD PRO A 24 11.258 -2.398 -4.120 1.00 20.11 C ATOM 0 HA PRO A 24 8.079 -3.365 -3.926 1.00 62.41 H new ATOM 0 HB2 PRO A 24 8.957 -1.918 -1.766 1.00 33.33 H new ATOM 0 HB3 PRO A 24 9.549 -3.551 -2.004 1.00 33.33 H new ATOM 0 HG2 PRO A 24 10.906 -0.942 -2.571 1.00 41.20 H new ATOM 0 HG3 PRO A 24 11.596 -2.446 -1.992 1.00 41.20 H new ATOM 0 HD2 PRO A 24 11.695 -1.554 -4.653 1.00 20.11 H new ATOM 0 HD3 PRO A 24 11.993 -3.202 -4.139 1.00 20.11 H new ATOM 371 N VAL A 25 6.864 -1.174 -3.686 1.00 71.53 N ATOM 372 CA VAL A 25 6.023 -0.011 -3.996 1.00 4.41 C ATOM 373 C VAL A 25 6.244 1.142 -3.000 1.00 54.31 C ATOM 374 O VAL A 25 6.673 0.928 -1.865 1.00 44.35 O ATOM 375 CB VAL A 25 4.528 -0.414 -4.016 1.00 32.02 C ATOM 376 CG1 VAL A 25 3.665 0.694 -4.622 1.00 53.01 C ATOM 377 CG2 VAL A 25 4.348 -1.725 -4.776 1.00 41.23 C ATOM 0 H VAL A 25 6.408 -1.879 -3.107 1.00 71.53 H new ATOM 0 HA VAL A 25 6.314 0.344 -4.985 1.00 4.41 H new ATOM 0 HB VAL A 25 4.197 -0.560 -2.988 1.00 32.02 H new ATOM 0 HG11 VAL A 25 2.620 0.382 -4.623 1.00 53.01 H new ATOM 0 HG12 VAL A 25 3.772 1.603 -4.030 1.00 53.01 H new ATOM 0 HG13 VAL A 25 3.987 0.887 -5.645 1.00 53.01 H new ATOM 0 HG21 VAL A 25 3.293 -1.999 -4.784 1.00 41.23 H new ATOM 0 HG22 VAL A 25 4.699 -1.603 -5.801 1.00 41.23 H new ATOM 0 HG23 VAL A 25 4.923 -2.511 -4.287 1.00 41.23 H new ATOM 387 N LYS A 26 5.938 2.366 -3.436 1.00 2.22 N ATOM 388 CA LYS A 26 6.191 3.578 -2.642 1.00 10.15 C ATOM 389 C LYS A 26 4.905 4.053 -1.947 1.00 64.34 C ATOM 390 O LYS A 26 3.830 4.039 -2.550 1.00 43.12 O ATOM 391 CB LYS A 26 6.716 4.722 -3.538 1.00 14.21 C ATOM 392 CG LYS A 26 7.779 4.332 -4.571 1.00 35.15 C ATOM 393 CD LYS A 26 7.181 3.552 -5.744 1.00 60.34 C ATOM 394 CE LYS A 26 8.100 3.540 -6.959 1.00 70.11 C ATOM 395 NZ LYS A 26 8.210 4.887 -7.580 1.00 1.41 N ATOM 0 H LYS A 26 5.510 2.548 -4.344 1.00 2.22 H new ATOM 0 HA LYS A 26 6.941 3.325 -1.893 1.00 10.15 H new ATOM 0 HB2 LYS A 26 5.869 5.162 -4.065 1.00 14.21 H new ATOM 0 HB3 LYS A 26 7.130 5.499 -2.896 1.00 14.21 H new ATOM 0 HG2 LYS A 26 8.268 5.232 -4.946 1.00 35.15 H new ATOM 0 HG3 LYS A 26 8.548 3.729 -4.089 1.00 35.15 H new ATOM 0 HD2 LYS A 26 6.982 2.527 -5.432 1.00 60.34 H new ATOM 0 HD3 LYS A 26 6.223 3.993 -6.020 1.00 60.34 H new ATOM 0 HE2 LYS A 26 9.090 3.194 -6.663 1.00 70.11 H new ATOM 0 HE3 LYS A 26 7.721 2.830 -7.694 1.00 70.11 H new ATOM 0 HZ1 LYS A 26 8.577 4.794 -8.549 1.00 1.41 H new ATOM 0 HZ2 LYS A 26 7.272 5.335 -7.607 1.00 1.41 H new ATOM 0 HZ3 LYS A 26 8.858 5.476 -7.019 1.00 1.41 H new ATOM 409 N THR A 27 5.023 4.507 -0.697 1.00 14.20 N ATOM 410 CA THR A 27 3.868 5.024 0.059 1.00 12.12 C ATOM 411 C THR A 27 3.155 6.161 -0.694 1.00 73.33 C ATOM 412 O THR A 27 1.923 6.227 -0.722 1.00 52.23 O ATOM 413 CB THR A 27 4.289 5.548 1.457 1.00 55.12 C ATOM 414 OG1 THR A 27 4.941 4.509 2.202 1.00 23.33 O ATOM 415 CG2 THR A 27 3.089 6.060 2.249 1.00 52.13 C ATOM 0 H THR A 27 5.904 4.529 -0.183 1.00 14.20 H new ATOM 0 HA THR A 27 3.183 4.184 0.176 1.00 12.12 H new ATOM 0 HB THR A 27 4.978 6.378 1.301 1.00 55.12 H new ATOM 0 HG1 THR A 27 5.203 4.852 3.082 1.00 23.33 H new ATOM 0 HG21 THR A 27 3.422 6.419 3.223 1.00 52.13 H new ATOM 0 HG22 THR A 27 2.615 6.876 1.704 1.00 52.13 H new ATOM 0 HG23 THR A 27 2.372 5.251 2.387 1.00 52.13 H new ATOM 423 N ARG A 28 3.936 7.053 -1.307 1.00 23.14 N ATOM 424 CA ARG A 28 3.379 8.173 -2.085 1.00 0.34 C ATOM 425 C ARG A 28 2.538 7.668 -3.271 1.00 52.42 C ATOM 426 O ARG A 28 1.382 8.064 -3.442 1.00 62.45 O ATOM 427 CB ARG A 28 4.511 9.079 -2.600 1.00 71.13 C ATOM 428 CG ARG A 28 5.382 9.679 -1.497 1.00 52.30 C ATOM 429 CD ARG A 28 4.601 10.639 -0.602 1.00 3.13 C ATOM 430 NE ARG A 28 4.118 11.817 -1.328 1.00 2.35 N ATOM 431 CZ ARG A 28 3.584 12.869 -0.759 1.00 72.41 C ATOM 432 NH1 ARG A 28 3.524 12.966 0.532 1.00 12.43 N ATOM 433 NH2 ARG A 28 3.141 13.845 -1.479 1.00 44.42 N ATOM 0 H ARG A 28 4.955 7.026 -1.283 1.00 23.14 H new ATOM 0 HA ARG A 28 2.729 8.746 -1.424 1.00 0.34 H new ATOM 0 HB2 ARG A 28 5.144 8.503 -3.275 1.00 71.13 H new ATOM 0 HB3 ARG A 28 4.076 9.889 -3.185 1.00 71.13 H new ATOM 0 HG2 ARG A 28 5.799 8.876 -0.889 1.00 52.30 H new ATOM 0 HG3 ARG A 28 6.222 10.207 -1.947 1.00 52.30 H new ATOM 0 HD2 ARG A 28 3.753 10.113 -0.164 1.00 3.13 H new ATOM 0 HD3 ARG A 28 5.237 10.960 0.223 1.00 3.13 H new ATOM 0 HE ARG A 28 4.203 11.818 -2.344 1.00 2.35 H new ATOM 0 HH11 ARG A 28 3.895 12.218 1.117 1.00 12.43 H new ATOM 0 HH12 ARG A 28 3.106 13.791 0.963 1.00 12.43 H new ATOM 0 HH21 ARG A 28 3.206 13.799 -2.496 1.00 44.42 H new ATOM 0 HH22 ARG A 28 2.726 14.662 -1.031 1.00 44.42 H new ATOM 447 N ASP A 29 3.131 6.793 -4.084 1.00 24.43 N ATOM 448 CA ASP A 29 2.459 6.217 -5.256 1.00 43.21 C ATOM 449 C ASP A 29 1.191 5.435 -4.861 1.00 22.15 C ATOM 450 O ASP A 29 0.194 5.432 -5.590 1.00 41.33 O ATOM 451 CB ASP A 29 3.437 5.304 -6.009 1.00 72.41 C ATOM 452 CG ASP A 29 4.679 6.045 -6.484 1.00 74.44 C ATOM 453 OD1 ASP A 29 5.315 6.737 -5.661 1.00 61.42 O ATOM 454 OD2 ASP A 29 5.026 5.951 -7.678 1.00 22.45 O ATOM 0 H ASP A 29 4.087 6.463 -3.952 1.00 24.43 H new ATOM 0 HA ASP A 29 2.146 7.035 -5.905 1.00 43.21 H new ATOM 0 HB2 ASP A 29 3.735 4.482 -5.359 1.00 72.41 H new ATOM 0 HB3 ASP A 29 2.930 4.864 -6.868 1.00 72.41 H new ATOM 459 N ILE A 30 1.238 4.765 -3.707 1.00 3.33 N ATOM 460 CA ILE A 30 0.072 4.044 -3.180 1.00 23.41 C ATOM 461 C ILE A 30 -1.053 5.011 -2.779 1.00 1.24 C ATOM 462 O ILE A 30 -2.179 4.905 -3.266 1.00 42.43 O ATOM 463 CB ILE A 30 0.451 3.171 -1.952 1.00 11.31 C ATOM 464 CG1 ILE A 30 1.449 2.072 -2.356 1.00 51.53 C ATOM 465 CG2 ILE A 30 -0.797 2.556 -1.317 1.00 35.24 C ATOM 466 CD1 ILE A 30 1.923 1.213 -1.197 1.00 41.41 C ATOM 0 H ILE A 30 2.069 4.706 -3.119 1.00 3.33 H new ATOM 0 HA ILE A 30 -0.282 3.397 -3.983 1.00 23.41 H new ATOM 0 HB ILE A 30 0.928 3.814 -1.212 1.00 11.31 H new ATOM 0 HG12 ILE A 30 0.984 1.430 -3.104 1.00 51.53 H new ATOM 0 HG13 ILE A 30 2.314 2.537 -2.828 1.00 51.53 H new ATOM 0 HG21 ILE A 30 -0.507 1.949 -0.459 1.00 35.24 H new ATOM 0 HG22 ILE A 30 -1.468 3.350 -0.989 1.00 35.24 H new ATOM 0 HG23 ILE A 30 -1.307 1.930 -2.049 1.00 35.24 H new ATOM 0 HD11 ILE A 30 2.623 0.462 -1.563 1.00 41.41 H new ATOM 0 HD12 ILE A 30 2.419 1.842 -0.457 1.00 41.41 H new ATOM 0 HD13 ILE A 30 1.068 0.718 -0.738 1.00 41.41 H new ATOM 478 N ALA A 31 -0.735 5.956 -1.896 1.00 71.14 N ATOM 479 CA ALA A 31 -1.719 6.921 -1.390 1.00 5.32 C ATOM 480 C ALA A 31 -2.394 7.707 -2.525 1.00 51.32 C ATOM 481 O ALA A 31 -3.613 7.908 -2.521 1.00 12.41 O ATOM 482 CB ALA A 31 -1.043 7.877 -0.418 1.00 62.30 C ATOM 0 H ALA A 31 0.202 6.077 -1.512 1.00 71.14 H new ATOM 0 HA ALA A 31 -2.501 6.362 -0.875 1.00 5.32 H new ATOM 0 HB1 ALA A 31 -1.775 8.593 -0.043 1.00 62.30 H new ATOM 0 HB2 ALA A 31 -0.627 7.313 0.417 1.00 62.30 H new ATOM 0 HB3 ALA A 31 -0.243 8.411 -0.930 1.00 62.30 H new ATOM 488 N ASP A 32 -1.591 8.143 -3.491 1.00 35.31 N ATOM 489 CA ASP A 32 -2.090 8.922 -4.627 1.00 51.54 C ATOM 490 C ASP A 32 -3.074 8.092 -5.475 1.00 11.32 C ATOM 491 O ASP A 32 -4.203 8.516 -5.729 1.00 41.40 O ATOM 492 CB ASP A 32 -0.913 9.405 -5.487 1.00 44.25 C ATOM 493 CG ASP A 32 -1.323 10.460 -6.498 1.00 42.11 C ATOM 494 OD1 ASP A 32 -1.801 10.092 -7.591 1.00 22.32 O ATOM 495 OD2 ASP A 32 -1.177 11.661 -6.203 1.00 10.04 O ATOM 0 H ASP A 32 -0.586 7.970 -3.512 1.00 35.31 H new ATOM 0 HA ASP A 32 -2.628 9.789 -4.243 1.00 51.54 H new ATOM 0 HB2 ASP A 32 -0.137 9.811 -4.839 1.00 44.25 H new ATOM 0 HB3 ASP A 32 -0.478 8.554 -6.011 1.00 44.25 H new ATOM 500 N ALA A 33 -2.642 6.901 -5.891 1.00 1.33 N ATOM 501 CA ALA A 33 -3.486 6.010 -6.703 1.00 60.12 C ATOM 502 C ALA A 33 -4.733 5.543 -5.935 1.00 4.02 C ATOM 503 O ALA A 33 -5.777 5.270 -6.535 1.00 60.20 O ATOM 504 CB ALA A 33 -2.677 4.809 -7.183 1.00 51.02 C ATOM 0 H ALA A 33 -1.716 6.528 -5.682 1.00 1.33 H new ATOM 0 HA ALA A 33 -3.829 6.579 -7.567 1.00 60.12 H new ATOM 0 HB1 ALA A 33 -3.313 4.158 -7.782 1.00 51.02 H new ATOM 0 HB2 ALA A 33 -1.838 5.154 -7.788 1.00 51.02 H new ATOM 0 HB3 ALA A 33 -2.301 4.256 -6.322 1.00 51.02 H new ATOM 510 N ALA A 34 -4.618 5.448 -4.612 1.00 51.10 N ATOM 511 CA ALA A 34 -5.747 5.061 -3.759 1.00 11.31 C ATOM 512 C ALA A 34 -6.715 6.232 -3.522 1.00 62.01 C ATOM 513 O ALA A 34 -7.909 6.029 -3.280 1.00 14.44 O ATOM 514 CB ALA A 34 -5.238 4.520 -2.425 1.00 14.32 C ATOM 0 H ALA A 34 -3.753 5.634 -4.103 1.00 51.10 H new ATOM 0 HA ALA A 34 -6.299 4.278 -4.280 1.00 11.31 H new ATOM 0 HB1 ALA A 34 -6.085 4.236 -1.800 1.00 14.32 H new ATOM 0 HB2 ALA A 34 -4.609 3.647 -2.602 1.00 14.32 H new ATOM 0 HB3 ALA A 34 -4.656 5.290 -1.919 1.00 14.32 H new ATOM 520 N GLY A 35 -6.194 7.457 -3.589 1.00 0.15 N ATOM 521 CA GLY A 35 -7.019 8.639 -3.370 1.00 23.22 C ATOM 522 C GLY A 35 -7.302 8.902 -1.895 1.00 3.05 C ATOM 523 O GLY A 35 -8.442 9.162 -1.506 1.00 41.10 O ATOM 0 H GLY A 35 -5.214 7.653 -3.791 1.00 0.15 H new ATOM 0 HA2 GLY A 35 -6.521 9.508 -3.799 1.00 23.22 H new ATOM 0 HA3 GLY A 35 -7.964 8.519 -3.900 1.00 23.22 H new ATOM 527 N LEU A 36 -6.262 8.819 -1.070 1.00 4.04 N ATOM 528 CA LEU A 36 -6.385 9.053 0.378 1.00 14.10 C ATOM 529 C LEU A 36 -5.240 9.939 0.893 1.00 54.44 C ATOM 530 O LEU A 36 -4.356 10.331 0.129 1.00 31.40 O ATOM 531 CB LEU A 36 -6.393 7.714 1.138 1.00 10.23 C ATOM 532 CG LEU A 36 -7.578 6.775 0.831 1.00 41.41 C ATOM 533 CD1 LEU A 36 -7.391 5.425 1.520 1.00 74.13 C ATOM 534 CD2 LEU A 36 -8.901 7.417 1.253 1.00 4.11 C ATOM 0 H LEU A 36 -5.316 8.590 -1.376 1.00 4.04 H new ATOM 0 HA LEU A 36 -7.328 9.571 0.555 1.00 14.10 H new ATOM 0 HB2 LEU A 36 -5.467 7.185 0.913 1.00 10.23 H new ATOM 0 HB3 LEU A 36 -6.388 7.925 2.207 1.00 10.23 H new ATOM 0 HG LEU A 36 -7.608 6.607 -0.246 1.00 41.41 H new ATOM 0 HD11 LEU A 36 -8.238 4.779 1.290 1.00 74.13 H new ATOM 0 HD12 LEU A 36 -6.472 4.959 1.164 1.00 74.13 H new ATOM 0 HD13 LEU A 36 -7.329 5.572 2.598 1.00 74.13 H new ATOM 0 HD21 LEU A 36 -9.723 6.738 1.027 1.00 4.11 H new ATOM 0 HD22 LEU A 36 -8.882 7.620 2.324 1.00 4.11 H new ATOM 0 HD23 LEU A 36 -9.042 8.351 0.709 1.00 4.11 H new ATOM 546 N SER A 37 -5.258 10.257 2.187 1.00 33.52 N ATOM 547 CA SER A 37 -4.197 11.079 2.799 1.00 43.34 C ATOM 548 C SER A 37 -2.972 10.231 3.156 1.00 22.34 C ATOM 549 O SER A 37 -3.111 9.089 3.596 1.00 74.31 O ATOM 550 CB SER A 37 -4.717 11.791 4.056 1.00 71.22 C ATOM 551 OG SER A 37 -5.783 12.670 3.735 1.00 33.54 O ATOM 0 H SER A 37 -5.989 9.963 2.835 1.00 33.52 H new ATOM 0 HA SER A 37 -3.899 11.826 2.064 1.00 43.34 H new ATOM 0 HB2 SER A 37 -5.055 11.053 4.783 1.00 71.22 H new ATOM 0 HB3 SER A 37 -3.907 12.351 4.523 1.00 71.22 H new ATOM 0 HG SER A 37 -6.100 13.111 4.551 1.00 33.54 H new ATOM 557 N ILE A 38 -1.780 10.801 2.981 1.00 32.02 N ATOM 558 CA ILE A 38 -0.517 10.082 3.214 1.00 21.11 C ATOM 559 C ILE A 38 -0.487 9.417 4.601 1.00 32.22 C ATOM 560 O ILE A 38 -0.286 8.208 4.714 1.00 61.14 O ATOM 561 CB ILE A 38 0.705 11.028 3.077 1.00 5.22 C ATOM 562 CG1 ILE A 38 0.710 11.707 1.692 1.00 50.45 C ATOM 563 CG2 ILE A 38 2.014 10.271 3.318 1.00 21.41 C ATOM 564 CD1 ILE A 38 0.831 10.742 0.530 1.00 24.40 C ATOM 0 H ILE A 38 -1.657 11.767 2.676 1.00 32.02 H new ATOM 0 HA ILE A 38 -0.458 9.306 2.451 1.00 21.11 H new ATOM 0 HB ILE A 38 0.623 11.803 3.839 1.00 5.22 H new ATOM 0 HG12 ILE A 38 -0.209 12.283 1.578 1.00 50.45 H new ATOM 0 HG13 ILE A 38 1.537 12.415 1.650 1.00 50.45 H new ATOM 0 HG21 ILE A 38 2.855 10.957 3.216 1.00 21.41 H new ATOM 0 HG22 ILE A 38 2.010 9.848 4.323 1.00 21.41 H new ATOM 0 HG23 ILE A 38 2.110 9.468 2.587 1.00 21.41 H new ATOM 0 HD11 ILE A 38 0.827 11.299 -0.407 1.00 24.40 H new ATOM 0 HD12 ILE A 38 1.763 10.184 0.616 1.00 24.40 H new ATOM 0 HD13 ILE A 38 -0.010 10.049 0.544 1.00 24.40 H new ATOM 576 N TYR A 39 -0.697 10.215 5.649 1.00 34.21 N ATOM 577 CA TYR A 39 -0.720 9.711 7.032 1.00 54.21 C ATOM 578 C TYR A 39 -1.724 8.555 7.194 1.00 71.21 C ATOM 579 O TYR A 39 -1.404 7.510 7.767 1.00 72.13 O ATOM 580 CB TYR A 39 -1.079 10.853 7.994 1.00 71.14 C ATOM 581 CG TYR A 39 -1.144 10.447 9.459 1.00 54.55 C ATOM 582 CD1 TYR A 39 0.012 10.353 10.228 1.00 41.24 C ATOM 583 CD2 TYR A 39 -2.363 10.169 10.075 1.00 14.10 C ATOM 584 CE1 TYR A 39 -0.045 9.990 11.560 1.00 44.13 C ATOM 585 CE2 TYR A 39 -2.424 9.808 11.407 1.00 62.33 C ATOM 586 CZ TYR A 39 -1.263 9.721 12.144 1.00 63.14 C ATOM 587 OH TYR A 39 -1.320 9.365 13.475 1.00 31.23 O ATOM 0 H TYR A 39 -0.855 11.220 5.570 1.00 34.21 H new ATOM 0 HA TYR A 39 0.273 9.329 7.269 1.00 54.21 H new ATOM 0 HB2 TYR A 39 -0.343 11.649 7.883 1.00 71.14 H new ATOM 0 HB3 TYR A 39 -2.044 11.268 7.702 1.00 71.14 H new ATOM 0 HD1 TYR A 39 0.969 10.567 9.776 1.00 41.24 H new ATOM 0 HD2 TYR A 39 -3.275 10.237 9.501 1.00 14.10 H new ATOM 0 HE1 TYR A 39 0.862 9.917 12.141 1.00 44.13 H new ATOM 0 HE2 TYR A 39 -3.377 9.595 11.868 1.00 62.33 H new ATOM 0 HH TYR A 39 -2.253 9.210 13.733 1.00 31.23 H new ATOM 597 N GLN A 40 -2.936 8.763 6.685 1.00 3.52 N ATOM 598 CA GLN A 40 -4.003 7.755 6.741 1.00 22.21 C ATOM 599 C GLN A 40 -3.583 6.439 6.059 1.00 3.42 C ATOM 600 O GLN A 40 -3.791 5.349 6.598 1.00 54.25 O ATOM 601 CB GLN A 40 -5.271 8.312 6.074 1.00 42.20 C ATOM 602 CG GLN A 40 -6.434 7.329 6.018 1.00 73.44 C ATOM 603 CD GLN A 40 -7.670 7.914 5.353 1.00 42.54 C ATOM 604 OE1 GLN A 40 -7.580 8.783 4.488 1.00 20.52 O ATOM 605 NE2 GLN A 40 -8.832 7.436 5.744 1.00 71.31 N ATOM 0 H GLN A 40 -3.210 9.630 6.223 1.00 3.52 H new ATOM 0 HA GLN A 40 -4.203 7.532 7.789 1.00 22.21 H new ATOM 0 HB2 GLN A 40 -5.590 9.203 6.614 1.00 42.20 H new ATOM 0 HB3 GLN A 40 -5.026 8.625 5.059 1.00 42.20 H new ATOM 0 HG2 GLN A 40 -6.123 6.436 5.475 1.00 73.44 H new ATOM 0 HG3 GLN A 40 -6.687 7.014 7.031 1.00 73.44 H new ATOM 0 HE21 GLN A 40 -8.871 6.715 6.464 1.00 71.31 H new ATOM 0 HE22 GLN A 40 -9.694 7.786 5.327 1.00 71.31 H new ATOM 614 N VAL A 41 -2.993 6.552 4.871 1.00 34.23 N ATOM 615 CA VAL A 41 -2.540 5.379 4.117 1.00 74.41 C ATOM 616 C VAL A 41 -1.382 4.663 4.826 1.00 51.50 C ATOM 617 O VAL A 41 -1.330 3.436 4.850 1.00 3.41 O ATOM 618 CB VAL A 41 -2.115 5.768 2.680 1.00 0.05 C ATOM 619 CG1 VAL A 41 -1.605 4.556 1.899 1.00 41.30 C ATOM 620 CG2 VAL A 41 -3.280 6.425 1.944 1.00 30.32 C ATOM 0 H VAL A 41 -2.816 7.443 4.407 1.00 34.23 H new ATOM 0 HA VAL A 41 -3.385 4.693 4.061 1.00 74.41 H new ATOM 0 HB VAL A 41 -1.295 6.482 2.755 1.00 0.05 H new ATOM 0 HG11 VAL A 41 -1.315 4.866 0.895 1.00 41.30 H new ATOM 0 HG12 VAL A 41 -0.742 4.131 2.411 1.00 41.30 H new ATOM 0 HG13 VAL A 41 -2.394 3.807 1.834 1.00 41.30 H new ATOM 0 HG21 VAL A 41 -2.968 6.694 0.935 1.00 30.32 H new ATOM 0 HG22 VAL A 41 -4.117 5.728 1.892 1.00 30.32 H new ATOM 0 HG23 VAL A 41 -3.589 7.323 2.479 1.00 30.32 H new ATOM 630 N ARG A 42 -0.460 5.433 5.413 1.00 10.23 N ATOM 631 CA ARG A 42 0.656 4.859 6.179 1.00 43.32 C ATOM 632 C ARG A 42 0.140 3.893 7.257 1.00 2.42 C ATOM 633 O ARG A 42 0.671 2.794 7.426 1.00 0.53 O ATOM 634 CB ARG A 42 1.495 5.969 6.830 1.00 72.13 C ATOM 635 CG ARG A 42 2.259 6.834 5.832 1.00 24.13 C ATOM 636 CD ARG A 42 2.993 7.981 6.520 1.00 5.22 C ATOM 637 NE ARG A 42 3.950 7.508 7.521 1.00 61.40 N ATOM 638 CZ ARG A 42 4.682 8.291 8.265 1.00 51.11 C ATOM 639 NH1 ARG A 42 4.590 9.577 8.172 1.00 21.10 N ATOM 640 NH2 ARG A 42 5.503 7.787 9.124 1.00 41.54 N ATOM 0 H ARG A 42 -0.462 6.452 5.374 1.00 10.23 H new ATOM 0 HA ARG A 42 1.286 4.303 5.485 1.00 43.32 H new ATOM 0 HB2 ARG A 42 0.838 6.608 7.421 1.00 72.13 H new ATOM 0 HB3 ARG A 42 2.206 5.516 7.521 1.00 72.13 H new ATOM 0 HG2 ARG A 42 2.976 6.217 5.291 1.00 24.13 H new ATOM 0 HG3 ARG A 42 1.565 7.237 5.095 1.00 24.13 H new ATOM 0 HD2 ARG A 42 3.518 8.575 5.771 1.00 5.22 H new ATOM 0 HD3 ARG A 42 2.267 8.639 6.997 1.00 5.22 H new ATOM 0 HE ARG A 42 4.051 6.501 7.645 1.00 61.40 H new ATOM 0 HH11 ARG A 42 3.937 9.995 7.509 1.00 21.10 H new ATOM 0 HH12 ARG A 42 5.170 10.174 8.762 1.00 21.10 H new ATOM 0 HH21 ARG A 42 5.581 6.775 9.222 1.00 41.54 H new ATOM 0 HH22 ARG A 42 6.074 8.401 9.705 1.00 41.54 H new ATOM 654 N LEU A 43 -0.909 4.309 7.968 1.00 43.24 N ATOM 655 CA LEU A 43 -1.551 3.456 8.974 1.00 14.25 C ATOM 656 C LEU A 43 -2.081 2.161 8.342 1.00 41.23 C ATOM 657 O LEU A 43 -1.812 1.065 8.831 1.00 32.42 O ATOM 658 CB LEU A 43 -2.698 4.212 9.665 1.00 70.33 C ATOM 659 CG LEU A 43 -2.286 5.473 10.443 1.00 60.04 C ATOM 660 CD1 LEU A 43 -3.511 6.168 11.032 1.00 45.45 C ATOM 661 CD2 LEU A 43 -1.280 5.127 11.537 1.00 71.22 C ATOM 0 H LEU A 43 -1.333 5.231 7.867 1.00 43.24 H new ATOM 0 HA LEU A 43 -0.800 3.192 9.719 1.00 14.25 H new ATOM 0 HB2 LEU A 43 -3.430 4.496 8.909 1.00 70.33 H new ATOM 0 HB3 LEU A 43 -3.198 3.529 10.352 1.00 70.33 H new ATOM 0 HG LEU A 43 -1.807 6.162 9.748 1.00 60.04 H new ATOM 0 HD11 LEU A 43 -3.197 7.057 11.578 1.00 45.45 H new ATOM 0 HD12 LEU A 43 -4.188 6.456 10.228 1.00 45.45 H new ATOM 0 HD13 LEU A 43 -4.024 5.487 11.711 1.00 45.45 H new ATOM 0 HD21 LEU A 43 -1.002 6.033 12.075 1.00 71.22 H new ATOM 0 HD22 LEU A 43 -1.728 4.416 12.231 1.00 71.22 H new ATOM 0 HD23 LEU A 43 -0.391 4.685 11.087 1.00 71.22 H new ATOM 673 N TYR A 44 -2.822 2.296 7.240 1.00 45.13 N ATOM 674 CA TYR A 44 -3.377 1.133 6.527 1.00 3.41 C ATOM 675 C TYR A 44 -2.272 0.171 6.061 1.00 1.51 C ATOM 676 O TYR A 44 -2.394 -1.045 6.199 1.00 51.44 O ATOM 677 CB TYR A 44 -4.205 1.584 5.311 1.00 33.03 C ATOM 678 CG TYR A 44 -5.426 2.427 5.649 1.00 13.40 C ATOM 679 CD1 TYR A 44 -5.954 2.457 6.938 1.00 10.41 C ATOM 680 CD2 TYR A 44 -6.057 3.189 4.669 1.00 50.40 C ATOM 681 CE1 TYR A 44 -7.067 3.218 7.236 1.00 53.30 C ATOM 682 CE2 TYR A 44 -7.171 3.954 4.963 1.00 21.54 C ATOM 683 CZ TYR A 44 -7.670 3.966 6.246 1.00 25.15 C ATOM 684 OH TYR A 44 -8.782 4.729 6.540 1.00 53.01 O ATOM 0 H TYR A 44 -3.054 3.196 6.819 1.00 45.13 H new ATOM 0 HA TYR A 44 -4.021 0.605 7.231 1.00 3.41 H new ATOM 0 HB2 TYR A 44 -3.561 2.154 4.642 1.00 33.03 H new ATOM 0 HB3 TYR A 44 -4.531 0.700 4.763 1.00 33.03 H new ATOM 0 HD1 TYR A 44 -5.485 1.875 7.717 1.00 10.41 H new ATOM 0 HD2 TYR A 44 -5.669 3.182 3.661 1.00 50.40 H new ATOM 0 HE1 TYR A 44 -7.464 3.228 8.240 1.00 53.30 H new ATOM 0 HE2 TYR A 44 -7.647 4.539 4.190 1.00 21.54 H new ATOM 0 HH TYR A 44 -8.741 5.021 7.475 1.00 53.01 H new ATOM 694 N LEU A 45 -1.197 0.728 5.512 1.00 72.42 N ATOM 695 CA LEU A 45 -0.074 -0.069 5.010 1.00 3.20 C ATOM 696 C LEU A 45 0.614 -0.853 6.141 1.00 2.24 C ATOM 697 O LEU A 45 0.895 -2.047 6.000 1.00 2.33 O ATOM 698 CB LEU A 45 0.932 0.838 4.289 1.00 32.40 C ATOM 699 CG LEU A 45 0.381 1.556 3.045 1.00 22.02 C ATOM 700 CD1 LEU A 45 1.417 2.515 2.468 1.00 74.34 C ATOM 701 CD2 LEU A 45 -0.065 0.542 1.994 1.00 1.41 C ATOM 0 H LEU A 45 -1.076 1.735 5.401 1.00 72.42 H new ATOM 0 HA LEU A 45 -0.467 -0.798 4.301 1.00 3.20 H new ATOM 0 HB2 LEU A 45 1.293 1.588 4.993 1.00 32.40 H new ATOM 0 HB3 LEU A 45 1.793 0.238 3.993 1.00 32.40 H new ATOM 0 HG LEU A 45 -0.488 2.141 3.346 1.00 22.02 H new ATOM 0 HD11 LEU A 45 1.004 3.011 1.589 1.00 74.34 H new ATOM 0 HD12 LEU A 45 1.678 3.262 3.217 1.00 74.34 H new ATOM 0 HD13 LEU A 45 2.310 1.958 2.184 1.00 74.34 H new ATOM 0 HD21 LEU A 45 -0.452 1.069 1.121 1.00 1.41 H new ATOM 0 HD22 LEU A 45 0.785 -0.074 1.699 1.00 1.41 H new ATOM 0 HD23 LEU A 45 -0.847 -0.094 2.410 1.00 1.41 H new ATOM 713 N GLU A 46 0.869 -0.186 7.269 1.00 12.22 N ATOM 714 CA GLU A 46 1.429 -0.864 8.443 1.00 45.12 C ATOM 715 C GLU A 46 0.476 -1.964 8.945 1.00 44.51 C ATOM 716 O GLU A 46 0.921 -3.054 9.319 1.00 52.02 O ATOM 717 CB GLU A 46 1.751 0.147 9.562 1.00 3.42 C ATOM 718 CG GLU A 46 2.937 1.056 9.231 1.00 11.24 C ATOM 719 CD GLU A 46 3.362 1.955 10.388 1.00 24.14 C ATOM 720 OE1 GLU A 46 3.531 1.442 11.517 1.00 14.20 O ATOM 721 OE2 GLU A 46 3.570 3.168 10.164 1.00 53.12 O ATOM 0 H GLU A 46 0.699 0.812 7.395 1.00 12.22 H new ATOM 0 HA GLU A 46 2.364 -1.340 8.146 1.00 45.12 H new ATOM 0 HB2 GLU A 46 0.871 0.763 9.751 1.00 3.42 H new ATOM 0 HB3 GLU A 46 1.964 -0.396 10.483 1.00 3.42 H new ATOM 0 HG2 GLU A 46 3.784 0.439 8.932 1.00 11.24 H new ATOM 0 HG3 GLU A 46 2.678 1.679 8.375 1.00 11.24 H new ATOM 728 N GLN A 47 -0.832 -1.682 8.924 1.00 2.43 N ATOM 729 CA GLN A 47 -1.849 -2.700 9.231 1.00 11.03 C ATOM 730 C GLN A 47 -1.735 -3.898 8.274 1.00 21.42 C ATOM 731 O GLN A 47 -1.796 -5.050 8.694 1.00 13.54 O ATOM 732 CB GLN A 47 -3.267 -2.114 9.130 1.00 32.41 C ATOM 733 CG GLN A 47 -3.599 -1.069 10.187 1.00 61.40 C ATOM 734 CD GLN A 47 -5.009 -0.518 10.040 1.00 40.04 C ATOM 735 OE1 GLN A 47 -5.918 -1.204 9.572 1.00 3.33 O ATOM 736 NE2 GLN A 47 -5.204 0.723 10.436 1.00 63.33 N ATOM 0 H GLN A 47 -1.212 -0.763 8.699 1.00 2.43 H new ATOM 0 HA GLN A 47 -1.670 -3.035 10.253 1.00 11.03 H new ATOM 0 HB2 GLN A 47 -3.391 -1.666 8.144 1.00 32.41 H new ATOM 0 HB3 GLN A 47 -3.988 -2.928 9.204 1.00 32.41 H new ATOM 0 HG2 GLN A 47 -3.486 -1.510 11.177 1.00 61.40 H new ATOM 0 HG3 GLN A 47 -2.883 -0.249 10.120 1.00 61.40 H new ATOM 0 HE21 GLN A 47 -4.429 1.264 10.819 1.00 63.33 H new ATOM 0 HE22 GLN A 47 -6.130 1.143 10.359 1.00 63.33 H new ATOM 745 N LEU A 48 -1.561 -3.610 6.983 1.00 72.41 N ATOM 746 CA LEU A 48 -1.437 -4.657 5.963 1.00 24.04 C ATOM 747 C LEU A 48 -0.209 -5.552 6.204 1.00 44.54 C ATOM 748 O LEU A 48 -0.225 -6.735 5.870 1.00 45.42 O ATOM 749 CB LEU A 48 -1.390 -4.043 4.553 1.00 53.50 C ATOM 750 CG LEU A 48 -2.709 -3.416 4.065 1.00 72.42 C ATOM 751 CD1 LEU A 48 -2.534 -2.783 2.686 1.00 50.44 C ATOM 752 CD2 LEU A 48 -3.828 -4.460 4.041 1.00 75.52 C ATOM 0 H LEU A 48 -1.502 -2.660 6.617 1.00 72.41 H new ATOM 0 HA LEU A 48 -2.322 -5.289 6.040 1.00 24.04 H new ATOM 0 HB2 LEU A 48 -0.614 -3.278 4.533 1.00 53.50 H new ATOM 0 HB3 LEU A 48 -1.092 -4.818 3.847 1.00 53.50 H new ATOM 0 HG LEU A 48 -2.989 -2.630 4.766 1.00 72.42 H new ATOM 0 HD11 LEU A 48 -3.479 -2.347 2.363 1.00 50.44 H new ATOM 0 HD12 LEU A 48 -1.774 -2.004 2.737 1.00 50.44 H new ATOM 0 HD13 LEU A 48 -2.224 -3.546 1.972 1.00 50.44 H new ATOM 0 HD21 LEU A 48 -4.751 -3.996 3.693 1.00 75.52 H new ATOM 0 HD22 LEU A 48 -3.554 -5.272 3.367 1.00 75.52 H new ATOM 0 HD23 LEU A 48 -3.977 -4.857 5.045 1.00 75.52 H new ATOM 764 N HIS A 49 0.854 -4.995 6.777 1.00 23.30 N ATOM 765 CA HIS A 49 2.016 -5.806 7.168 1.00 23.13 C ATOM 766 C HIS A 49 1.706 -6.641 8.423 1.00 52.30 C ATOM 767 O HIS A 49 2.152 -7.782 8.554 1.00 4.24 O ATOM 768 CB HIS A 49 3.252 -4.926 7.407 1.00 74.00 C ATOM 769 CG HIS A 49 4.463 -5.700 7.850 1.00 75.45 C ATOM 770 ND1 HIS A 49 4.915 -6.826 7.196 1.00 12.13 N ATOM 771 CD2 HIS A 49 5.305 -5.523 8.899 1.00 45.53 C ATOM 772 CE1 HIS A 49 5.972 -7.304 7.818 1.00 60.00 C ATOM 773 NE2 HIS A 49 6.233 -6.533 8.850 1.00 71.40 N ATOM 0 H HIS A 49 0.941 -3.999 6.981 1.00 23.30 H new ATOM 0 HA HIS A 49 2.235 -6.486 6.344 1.00 23.13 H new ATOM 0 HB2 HIS A 49 3.489 -4.390 6.488 1.00 74.00 H new ATOM 0 HB3 HIS A 49 3.014 -4.176 8.161 1.00 74.00 H new ATOM 0 HD1 HIS A 49 4.495 -7.228 6.358 1.00 12.13 H new ATOM 0 HD2 HIS A 49 5.254 -4.734 9.635 1.00 45.53 H new ATOM 0 HE1 HIS A 49 6.531 -8.182 7.529 1.00 60.00 H new ATOM 782 N ASP A 50 0.938 -6.060 9.338 1.00 41.44 N ATOM 783 CA ASP A 50 0.520 -6.749 10.562 1.00 64.12 C ATOM 784 C ASP A 50 -0.382 -7.961 10.243 1.00 41.20 C ATOM 785 O ASP A 50 -0.132 -9.075 10.706 1.00 43.23 O ATOM 786 CB ASP A 50 -0.205 -5.759 11.482 1.00 4.03 C ATOM 787 CG ASP A 50 -0.727 -6.407 12.751 1.00 2.21 C ATOM 788 OD1 ASP A 50 0.061 -6.599 13.699 1.00 51.52 O ATOM 789 OD2 ASP A 50 -1.929 -6.728 12.807 1.00 71.14 O ATOM 0 H ASP A 50 0.588 -5.105 9.257 1.00 41.44 H new ATOM 0 HA ASP A 50 1.407 -7.129 11.070 1.00 64.12 H new ATOM 0 HB2 ASP A 50 0.476 -4.950 11.747 1.00 4.03 H new ATOM 0 HB3 ASP A 50 -1.037 -5.310 10.940 1.00 4.03 H new ATOM 794 N VAL A 51 -1.415 -7.741 9.428 1.00 4.15 N ATOM 795 CA VAL A 51 -2.361 -8.806 9.060 1.00 1.23 C ATOM 796 C VAL A 51 -1.773 -9.793 8.024 1.00 42.24 C ATOM 797 O VAL A 51 -2.471 -10.692 7.543 1.00 10.23 O ATOM 798 CB VAL A 51 -3.688 -8.219 8.517 1.00 72.21 C ATOM 799 CG1 VAL A 51 -4.367 -7.347 9.576 1.00 73.43 C ATOM 800 CG2 VAL A 51 -3.449 -7.428 7.233 1.00 54.25 C ATOM 0 H VAL A 51 -1.621 -6.835 9.008 1.00 4.15 H new ATOM 0 HA VAL A 51 -2.559 -9.360 9.978 1.00 1.23 H new ATOM 0 HB VAL A 51 -4.354 -9.049 8.281 1.00 72.21 H new ATOM 0 HG11 VAL A 51 -5.297 -6.945 9.174 1.00 73.43 H new ATOM 0 HG12 VAL A 51 -4.583 -7.949 10.459 1.00 73.43 H new ATOM 0 HG13 VAL A 51 -3.705 -6.526 9.850 1.00 73.43 H new ATOM 0 HG21 VAL A 51 -4.396 -7.026 6.872 1.00 54.25 H new ATOM 0 HG22 VAL A 51 -2.760 -6.608 7.434 1.00 54.25 H new ATOM 0 HG23 VAL A 51 -3.021 -8.085 6.476 1.00 54.25 H new ATOM 810 N GLY A 52 -0.499 -9.614 7.672 1.00 62.20 N ATOM 811 CA GLY A 52 0.205 -10.591 6.841 1.00 41.21 C ATOM 812 C GLY A 52 -0.055 -10.467 5.339 1.00 74.32 C ATOM 813 O GLY A 52 -0.003 -11.460 4.616 1.00 13.43 O ATOM 0 H GLY A 52 0.063 -8.808 7.947 1.00 62.20 H new ATOM 0 HA2 GLY A 52 1.276 -10.492 7.019 1.00 41.21 H new ATOM 0 HA3 GLY A 52 -0.081 -11.592 7.163 1.00 41.21 H new ATOM 817 N VAL A 53 -0.335 -9.257 4.864 1.00 62.35 N ATOM 818 CA VAL A 53 -0.488 -9.003 3.425 1.00 60.32 C ATOM 819 C VAL A 53 0.817 -8.467 2.811 1.00 11.20 C ATOM 820 O VAL A 53 1.398 -9.076 1.908 1.00 32.23 O ATOM 821 CB VAL A 53 -1.627 -7.990 3.148 1.00 75.52 C ATOM 822 CG1 VAL A 53 -1.766 -7.712 1.650 1.00 22.53 C ATOM 823 CG2 VAL A 53 -2.948 -8.491 3.728 1.00 75.41 C ATOM 0 H VAL A 53 -0.462 -8.433 5.451 1.00 62.35 H new ATOM 0 HA VAL A 53 -0.738 -9.958 2.963 1.00 60.32 H new ATOM 0 HB VAL A 53 -1.369 -7.053 3.641 1.00 75.52 H new ATOM 0 HG11 VAL A 53 -2.573 -6.998 1.486 1.00 22.53 H new ATOM 0 HG12 VAL A 53 -0.832 -7.299 1.268 1.00 22.53 H new ATOM 0 HG13 VAL A 53 -1.992 -8.641 1.127 1.00 22.53 H new ATOM 0 HG21 VAL A 53 -3.734 -7.765 3.522 1.00 75.41 H new ATOM 0 HG22 VAL A 53 -3.207 -9.446 3.271 1.00 75.41 H new ATOM 0 HG23 VAL A 53 -2.846 -8.620 4.806 1.00 75.41 H new ATOM 833 N LEU A 54 1.276 -7.321 3.313 1.00 21.05 N ATOM 834 CA LEU A 54 2.463 -6.651 2.767 1.00 34.03 C ATOM 835 C LEU A 54 3.725 -6.936 3.598 1.00 54.54 C ATOM 836 O LEU A 54 3.666 -7.080 4.818 1.00 3.45 O ATOM 837 CB LEU A 54 2.228 -5.131 2.694 1.00 71.24 C ATOM 838 CG LEU A 54 1.052 -4.686 1.804 1.00 33.44 C ATOM 839 CD1 LEU A 54 0.977 -3.161 1.738 1.00 32.42 C ATOM 840 CD2 LEU A 54 1.169 -5.289 0.404 1.00 34.32 C ATOM 0 H LEU A 54 0.845 -6.834 4.099 1.00 21.05 H new ATOM 0 HA LEU A 54 2.625 -7.051 1.766 1.00 34.03 H new ATOM 0 HB2 LEU A 54 2.059 -4.758 3.704 1.00 71.24 H new ATOM 0 HB3 LEU A 54 3.139 -4.657 2.328 1.00 71.24 H new ATOM 0 HG LEU A 54 0.128 -5.054 2.250 1.00 33.44 H new ATOM 0 HD11 LEU A 54 0.140 -2.865 1.105 1.00 32.42 H new ATOM 0 HD12 LEU A 54 0.833 -2.760 2.741 1.00 32.42 H new ATOM 0 HD13 LEU A 54 1.904 -2.769 1.321 1.00 32.42 H new ATOM 0 HD21 LEU A 54 0.327 -4.960 -0.205 1.00 34.32 H new ATOM 0 HD22 LEU A 54 2.101 -4.961 -0.057 1.00 34.32 H new ATOM 0 HD23 LEU A 54 1.163 -6.377 0.475 1.00 34.32 H new ATOM 852 N GLU A 55 4.862 -7.027 2.917 1.00 21.13 N ATOM 853 CA GLU A 55 6.165 -7.170 3.566 1.00 43.53 C ATOM 854 C GLU A 55 6.823 -5.796 3.797 1.00 74.15 C ATOM 855 O GLU A 55 6.730 -4.896 2.959 1.00 45.30 O ATOM 856 CB GLU A 55 7.088 -8.050 2.706 1.00 4.15 C ATOM 857 CG GLU A 55 8.463 -8.304 3.324 1.00 35.53 C ATOM 858 CD GLU A 55 8.392 -9.038 4.657 1.00 74.14 C ATOM 859 OE1 GLU A 55 8.193 -8.374 5.698 1.00 12.44 O ATOM 860 OE2 GLU A 55 8.531 -10.280 4.671 1.00 24.52 O ATOM 0 H GLU A 55 4.909 -7.004 1.898 1.00 21.13 H new ATOM 0 HA GLU A 55 6.010 -7.644 4.535 1.00 43.53 H new ATOM 0 HB2 GLU A 55 6.598 -9.008 2.530 1.00 4.15 H new ATOM 0 HB3 GLU A 55 7.221 -7.576 1.733 1.00 4.15 H new ATOM 0 HG2 GLU A 55 9.066 -8.886 2.627 1.00 35.53 H new ATOM 0 HG3 GLU A 55 8.972 -7.351 3.467 1.00 35.53 H new ATOM 867 N LYS A 56 7.502 -5.662 4.933 1.00 52.11 N ATOM 868 CA LYS A 56 8.174 -4.412 5.317 1.00 31.34 C ATOM 869 C LYS A 56 9.605 -4.367 4.748 1.00 32.32 C ATOM 870 O LYS A 56 10.490 -5.084 5.220 1.00 71.33 O ATOM 871 CB LYS A 56 8.214 -4.314 6.851 1.00 1.14 C ATOM 872 CG LYS A 56 8.904 -3.069 7.410 1.00 31.33 C ATOM 873 CD LYS A 56 9.128 -3.201 8.918 1.00 34.41 C ATOM 874 CE LYS A 56 9.787 -1.964 9.522 1.00 54.04 C ATOM 875 NZ LYS A 56 8.884 -0.783 9.512 1.00 24.12 N ATOM 0 H LYS A 56 7.605 -6.412 5.616 1.00 52.11 H new ATOM 0 HA LYS A 56 7.619 -3.568 4.908 1.00 31.34 H new ATOM 0 HB2 LYS A 56 7.191 -4.342 7.227 1.00 1.14 H new ATOM 0 HB3 LYS A 56 8.721 -5.196 7.242 1.00 1.14 H new ATOM 0 HG2 LYS A 56 9.860 -2.921 6.908 1.00 31.33 H new ATOM 0 HG3 LYS A 56 8.296 -2.188 7.204 1.00 31.33 H new ATOM 0 HD2 LYS A 56 8.171 -3.376 9.410 1.00 34.41 H new ATOM 0 HD3 LYS A 56 9.751 -4.073 9.114 1.00 34.41 H new ATOM 0 HE2 LYS A 56 10.089 -2.179 10.547 1.00 54.04 H new ATOM 0 HE3 LYS A 56 10.694 -1.730 8.965 1.00 54.04 H new ATOM 0 HZ1 LYS A 56 9.349 0.014 9.992 1.00 24.12 H new ATOM 0 HZ2 LYS A 56 8.670 -0.518 8.529 1.00 24.12 H new ATOM 0 HZ3 LYS A 56 8.000 -1.018 10.007 1.00 24.12 H new ATOM 889 N VAL A 57 9.828 -3.538 3.728 1.00 43.15 N ATOM 890 CA VAL A 57 11.148 -3.439 3.087 1.00 62.23 C ATOM 891 C VAL A 57 11.849 -2.104 3.411 1.00 11.43 C ATOM 892 O VAL A 57 11.488 -1.053 2.881 1.00 30.34 O ATOM 893 CB VAL A 57 11.034 -3.594 1.548 1.00 65.15 C ATOM 894 CG1 VAL A 57 12.414 -3.565 0.890 1.00 30.45 C ATOM 895 CG2 VAL A 57 10.286 -4.879 1.189 1.00 10.21 C ATOM 0 H VAL A 57 9.118 -2.926 3.326 1.00 43.15 H new ATOM 0 HA VAL A 57 11.750 -4.253 3.491 1.00 62.23 H new ATOM 0 HB VAL A 57 10.463 -2.748 1.164 1.00 65.15 H new ATOM 0 HG11 VAL A 57 12.305 -3.676 -0.189 1.00 30.45 H new ATOM 0 HG12 VAL A 57 12.902 -2.616 1.110 1.00 30.45 H new ATOM 0 HG13 VAL A 57 13.020 -4.383 1.279 1.00 30.45 H new ATOM 0 HG21 VAL A 57 10.217 -4.969 0.105 1.00 10.21 H new ATOM 0 HG22 VAL A 57 10.824 -5.738 1.591 1.00 10.21 H new ATOM 0 HG23 VAL A 57 9.283 -4.847 1.615 1.00 10.21 H new ATOM 905 N ASN A 58 12.848 -2.151 4.294 1.00 43.55 N ATOM 906 CA ASN A 58 13.650 -0.965 4.625 1.00 61.10 C ATOM 907 C ASN A 58 15.128 -1.192 4.270 1.00 64.33 C ATOM 908 O ASN A 58 15.798 -2.037 4.864 1.00 45.21 O ATOM 909 CB ASN A 58 13.517 -0.626 6.117 1.00 32.53 C ATOM 910 CG ASN A 58 14.250 0.651 6.502 1.00 74.34 C ATOM 911 OD1 ASN A 58 14.830 0.750 7.577 1.00 20.42 O ATOM 912 ND2 ASN A 58 14.216 1.650 5.638 1.00 41.54 N ATOM 0 H ASN A 58 13.123 -2.996 4.794 1.00 43.55 H new ATOM 0 HA ASN A 58 13.274 -0.128 4.037 1.00 61.10 H new ATOM 0 HB2 ASN A 58 12.461 -0.523 6.368 1.00 32.53 H new ATOM 0 HB3 ASN A 58 13.906 -1.455 6.709 1.00 32.53 H new ATOM 0 HD21 ASN A 58 14.680 2.531 5.859 1.00 41.54 H new ATOM 0 HD22 ASN A 58 13.726 1.540 4.750 1.00 41.54 H new ATOM 919 N ALA A 59 15.630 -0.434 3.297 1.00 74.12 N ATOM 920 CA ALA A 59 17.023 -0.565 2.846 1.00 21.34 C ATOM 921 C ALA A 59 18.002 0.217 3.737 1.00 24.11 C ATOM 922 O ALA A 59 19.213 0.212 3.501 1.00 12.01 O ATOM 923 CB ALA A 59 17.144 -0.107 1.397 1.00 75.23 C ATOM 0 H ALA A 59 15.095 0.280 2.802 1.00 74.12 H new ATOM 0 HA ALA A 59 17.294 -1.618 2.921 1.00 21.34 H new ATOM 0 HB1 ALA A 59 18.179 -0.207 1.069 1.00 75.23 H new ATOM 0 HB2 ALA A 59 16.503 -0.722 0.766 1.00 75.23 H new ATOM 0 HB3 ALA A 59 16.837 0.936 1.318 1.00 75.23 H new ATOM 929 N GLY A 60 17.475 0.898 4.756 1.00 31.31 N ATOM 930 CA GLY A 60 18.316 1.669 5.665 1.00 73.15 C ATOM 931 C GLY A 60 17.706 3.016 6.039 1.00 23.12 C ATOM 932 O GLY A 60 16.493 3.210 5.926 1.00 74.11 O ATOM 0 H GLY A 60 16.478 0.930 4.969 1.00 31.31 H new ATOM 0 HA2 GLY A 60 18.488 1.090 6.572 1.00 73.15 H new ATOM 0 HA3 GLY A 60 19.289 1.833 5.201 1.00 73.15 H new ATOM 936 N LYS A 61 18.545 3.955 6.479 1.00 14.21 N ATOM 937 CA LYS A 61 18.073 5.288 6.879 1.00 34.51 C ATOM 938 C LYS A 61 17.882 6.202 5.659 1.00 24.12 C ATOM 939 O LYS A 61 18.455 5.966 4.594 1.00 45.01 O ATOM 940 CB LYS A 61 19.056 5.941 7.866 1.00 23.33 C ATOM 941 CG LYS A 61 19.280 5.137 9.147 1.00 50.11 C ATOM 942 CD LYS A 61 20.082 5.920 10.185 1.00 74.45 C ATOM 943 CE LYS A 61 21.456 6.338 9.668 1.00 3.03 C ATOM 944 NZ LYS A 61 22.326 5.173 9.366 1.00 12.52 N ATOM 0 H LYS A 61 19.552 3.821 6.568 1.00 14.21 H new ATOM 0 HA LYS A 61 17.108 5.158 7.369 1.00 34.51 H new ATOM 0 HB2 LYS A 61 20.014 6.084 7.367 1.00 23.33 H new ATOM 0 HB3 LYS A 61 18.684 6.931 8.131 1.00 23.33 H new ATOM 0 HG2 LYS A 61 18.316 4.856 9.571 1.00 50.11 H new ATOM 0 HG3 LYS A 61 19.804 4.212 8.907 1.00 50.11 H new ATOM 0 HD2 LYS A 61 19.522 6.808 10.478 1.00 74.45 H new ATOM 0 HD3 LYS A 61 20.204 5.311 11.080 1.00 74.45 H new ATOM 0 HE2 LYS A 61 21.335 6.940 8.768 1.00 3.03 H new ATOM 0 HE3 LYS A 61 21.944 6.969 10.411 1.00 3.03 H new ATOM 0 HZ1 LYS A 61 23.264 5.508 9.067 1.00 12.52 H new ATOM 0 HZ2 LYS A 61 22.424 4.583 10.217 1.00 12.52 H new ATOM 0 HZ3 LYS A 61 21.900 4.610 8.602 1.00 12.52 H new ATOM 958 N GLY A 62 17.091 7.258 5.822 1.00 52.22 N ATOM 959 CA GLY A 62 16.807 8.165 4.712 1.00 22.41 C ATOM 960 C GLY A 62 15.665 7.665 3.833 1.00 53.54 C ATOM 961 O GLY A 62 14.686 8.381 3.596 1.00 41.53 O ATOM 0 H GLY A 62 16.639 7.506 6.702 1.00 52.22 H new ATOM 0 HA2 GLY A 62 16.555 9.150 5.106 1.00 22.41 H new ATOM 0 HA3 GLY A 62 17.704 8.285 4.105 1.00 22.41 H new ATOM 965 N VAL A 63 15.795 6.438 3.338 1.00 40.45 N ATOM 966 CA VAL A 63 14.723 5.795 2.575 1.00 31.01 C ATOM 967 C VAL A 63 13.644 5.231 3.519 1.00 1.35 C ATOM 968 O VAL A 63 13.963 4.589 4.522 1.00 25.11 O ATOM 969 CB VAL A 63 15.270 4.660 1.666 1.00 41.21 C ATOM 970 CG1 VAL A 63 16.185 5.234 0.585 1.00 1.20 C ATOM 971 CG2 VAL A 63 15.995 3.594 2.492 1.00 62.51 C ATOM 0 H VAL A 63 16.632 5.866 3.450 1.00 40.45 H new ATOM 0 HA VAL A 63 14.277 6.559 1.938 1.00 31.01 H new ATOM 0 HB VAL A 63 14.424 4.178 1.176 1.00 41.21 H new ATOM 0 HG11 VAL A 63 16.559 4.425 -0.042 1.00 1.20 H new ATOM 0 HG12 VAL A 63 15.625 5.940 -0.029 1.00 1.20 H new ATOM 0 HG13 VAL A 63 17.025 5.747 1.054 1.00 1.20 H new ATOM 0 HG21 VAL A 63 16.367 2.812 1.830 1.00 62.51 H new ATOM 0 HG22 VAL A 63 16.832 4.050 3.021 1.00 62.51 H new ATOM 0 HG23 VAL A 63 15.303 3.160 3.213 1.00 62.51 H new ATOM 981 N PRO A 64 12.354 5.476 3.221 1.00 73.02 N ATOM 982 CA PRO A 64 11.244 5.033 4.087 1.00 44.13 C ATOM 983 C PRO A 64 10.964 3.522 3.992 1.00 71.24 C ATOM 984 O PRO A 64 11.703 2.776 3.342 1.00 53.12 O ATOM 985 CB PRO A 64 10.055 5.839 3.549 1.00 64.21 C ATOM 986 CG PRO A 64 10.368 6.040 2.105 1.00 44.02 C ATOM 987 CD PRO A 64 11.867 6.192 2.023 1.00 11.13 C ATOM 0 HA PRO A 64 11.460 5.198 5.143 1.00 44.13 H new ATOM 0 HB2 PRO A 64 9.117 5.300 3.681 1.00 64.21 H new ATOM 0 HB3 PRO A 64 9.952 6.791 4.070 1.00 64.21 H new ATOM 0 HG2 PRO A 64 10.028 5.192 1.510 1.00 44.02 H new ATOM 0 HG3 PRO A 64 9.864 6.925 1.716 1.00 44.02 H new ATOM 0 HD2 PRO A 64 12.265 5.757 1.106 1.00 11.13 H new ATOM 0 HD3 PRO A 64 12.165 7.240 2.034 1.00 11.13 H new ATOM 995 N GLY A 65 9.896 3.076 4.655 1.00 14.11 N ATOM 996 CA GLY A 65 9.501 1.674 4.592 1.00 14.41 C ATOM 997 C GLY A 65 8.774 1.331 3.295 1.00 62.01 C ATOM 998 O GLY A 65 7.583 1.599 3.157 1.00 63.34 O ATOM 0 H GLY A 65 9.296 3.661 5.236 1.00 14.11 H new ATOM 0 HA2 GLY A 65 10.387 1.046 4.686 1.00 14.41 H new ATOM 0 HA3 GLY A 65 8.855 1.443 5.439 1.00 14.41 H new ATOM 1002 N LEU A 66 9.499 0.754 2.341 1.00 52.32 N ATOM 1003 CA LEU A 66 8.918 0.370 1.047 1.00 3.53 C ATOM 1004 C LEU A 66 8.027 -0.874 1.182 1.00 31.11 C ATOM 1005 O LEU A 66 8.342 -1.804 1.929 1.00 5.53 O ATOM 1006 CB LEU A 66 10.041 0.139 0.027 1.00 22.22 C ATOM 1007 CG LEU A 66 10.869 1.392 -0.307 1.00 24.52 C ATOM 1008 CD1 LEU A 66 12.020 1.053 -1.248 1.00 64.02 C ATOM 1009 CD2 LEU A 66 9.975 2.478 -0.911 1.00 51.23 C ATOM 0 H LEU A 66 10.492 0.540 2.435 1.00 52.32 H new ATOM 0 HA LEU A 66 8.282 1.182 0.694 1.00 3.53 H new ATOM 0 HB2 LEU A 66 10.710 -0.631 0.411 1.00 22.22 H new ATOM 0 HB3 LEU A 66 9.604 -0.248 -0.894 1.00 22.22 H new ATOM 0 HG LEU A 66 11.297 1.774 0.620 1.00 24.52 H new ATOM 0 HD11 LEU A 66 12.589 1.957 -1.468 1.00 64.02 H new ATOM 0 HD12 LEU A 66 12.673 0.319 -0.775 1.00 64.02 H new ATOM 0 HD13 LEU A 66 11.622 0.640 -2.175 1.00 64.02 H new ATOM 0 HD21 LEU A 66 10.576 3.358 -1.142 1.00 51.23 H new ATOM 0 HD22 LEU A 66 9.515 2.103 -1.825 1.00 51.23 H new ATOM 0 HD23 LEU A 66 9.197 2.747 -0.197 1.00 51.23 H new ATOM 1021 N TRP A 67 6.915 -0.889 0.448 1.00 13.43 N ATOM 1022 CA TRP A 67 5.884 -1.915 0.632 1.00 52.23 C ATOM 1023 C TRP A 67 5.838 -2.926 -0.522 1.00 34.21 C ATOM 1024 O TRP A 67 5.570 -2.574 -1.673 1.00 4.25 O ATOM 1025 CB TRP A 67 4.515 -1.244 0.790 1.00 1.23 C ATOM 1026 CG TRP A 67 4.507 -0.195 1.861 1.00 53.00 C ATOM 1027 CD1 TRP A 67 4.581 1.154 1.679 1.00 34.10 C ATOM 1028 CD2 TRP A 67 4.455 -0.409 3.275 1.00 63.51 C ATOM 1029 NE1 TRP A 67 4.568 1.793 2.892 1.00 33.35 N ATOM 1030 CE2 TRP A 67 4.491 0.858 3.889 1.00 11.41 C ATOM 1031 CE3 TRP A 67 4.374 -1.548 4.082 1.00 64.25 C ATOM 1032 CZ2 TRP A 67 4.454 1.017 5.271 1.00 13.32 C ATOM 1033 CZ3 TRP A 67 4.339 -1.390 5.453 1.00 12.53 C ATOM 1034 CH2 TRP A 67 4.377 -0.115 6.037 1.00 50.12 C ATOM 0 H TRP A 67 6.703 -0.205 -0.278 1.00 13.43 H new ATOM 0 HA TRP A 67 6.140 -2.472 1.533 1.00 52.23 H new ATOM 0 HB2 TRP A 67 4.225 -0.792 -0.158 1.00 1.23 H new ATOM 0 HB3 TRP A 67 3.768 -2.002 1.024 1.00 1.23 H new ATOM 0 HD1 TRP A 67 4.641 1.647 0.720 1.00 34.10 H new ATOM 0 HE1 TRP A 67 4.609 2.803 3.029 1.00 33.35 H new ATOM 0 HE3 TRP A 67 4.339 -2.533 3.641 1.00 64.25 H new ATOM 0 HZ2 TRP A 67 4.485 1.998 5.723 1.00 13.32 H new ATOM 0 HZ3 TRP A 67 4.281 -2.263 6.087 1.00 12.53 H new ATOM 0 HH2 TRP A 67 4.345 -0.025 7.113 1.00 50.12 H new ATOM 1045 N ARG A 68 6.105 -4.183 -0.202 1.00 33.51 N ATOM 1046 CA ARG A 68 5.926 -5.291 -1.147 1.00 52.33 C ATOM 1047 C ARG A 68 4.920 -6.287 -0.543 1.00 63.22 C ATOM 1048 O ARG A 68 4.426 -6.050 0.548 1.00 73.34 O ATOM 1049 CB ARG A 68 7.288 -5.957 -1.435 1.00 5.31 C ATOM 1050 CG ARG A 68 7.241 -7.018 -2.528 1.00 53.34 C ATOM 1051 CD ARG A 68 8.625 -7.499 -2.944 1.00 14.05 C ATOM 1052 NE ARG A 68 8.538 -8.539 -3.971 1.00 62.20 N ATOM 1053 CZ ARG A 68 9.485 -8.817 -4.827 1.00 52.01 C ATOM 1054 NH1 ARG A 68 10.601 -8.158 -4.831 1.00 3.04 N ATOM 1055 NH2 ARG A 68 9.310 -9.765 -5.685 1.00 13.41 N ATOM 0 H ARG A 68 6.451 -4.470 0.714 1.00 33.51 H new ATOM 0 HA ARG A 68 5.534 -4.929 -2.097 1.00 52.33 H new ATOM 0 HB2 ARG A 68 8.004 -5.187 -1.721 1.00 5.31 H new ATOM 0 HB3 ARG A 68 7.660 -6.412 -0.517 1.00 5.31 H new ATOM 0 HG2 ARG A 68 6.656 -7.868 -2.178 1.00 53.34 H new ATOM 0 HG3 ARG A 68 6.725 -6.613 -3.399 1.00 53.34 H new ATOM 0 HD2 ARG A 68 9.206 -6.658 -3.323 1.00 14.05 H new ATOM 0 HD3 ARG A 68 9.155 -7.887 -2.074 1.00 14.05 H new ATOM 0 HE ARG A 68 7.678 -9.085 -4.022 1.00 62.20 H new ATOM 0 HH11 ARG A 68 10.752 -7.407 -4.158 1.00 3.04 H new ATOM 0 HH12 ARG A 68 11.328 -8.390 -5.508 1.00 3.04 H new ATOM 0 HH21 ARG A 68 8.437 -10.292 -5.692 1.00 13.41 H new ATOM 0 HH22 ARG A 68 10.045 -9.987 -6.356 1.00 13.41 H new ATOM 1069 N LEU A 69 4.574 -7.372 -1.235 1.00 51.35 N ATOM 1070 CA LEU A 69 3.710 -8.407 -0.633 1.00 61.52 C ATOM 1071 C LEU A 69 4.526 -9.621 -0.165 1.00 22.45 C ATOM 1072 O LEU A 69 5.670 -9.812 -0.585 1.00 24.54 O ATOM 1073 CB LEU A 69 2.585 -8.827 -1.606 1.00 1.33 C ATOM 1074 CG LEU A 69 3.004 -9.176 -3.054 1.00 23.43 C ATOM 1075 CD1 LEU A 69 3.796 -10.478 -3.123 1.00 54.43 C ATOM 1076 CD2 LEU A 69 1.774 -9.249 -3.961 1.00 21.11 C ATOM 0 H LEU A 69 4.867 -7.563 -2.193 1.00 51.35 H new ATOM 0 HA LEU A 69 3.242 -7.972 0.250 1.00 61.52 H new ATOM 0 HB2 LEU A 69 2.076 -9.693 -1.182 1.00 1.33 H new ATOM 0 HB3 LEU A 69 1.855 -8.018 -1.650 1.00 1.33 H new ATOM 0 HG LEU A 69 3.659 -8.379 -3.405 1.00 23.43 H new ATOM 0 HD11 LEU A 69 4.069 -10.683 -4.158 1.00 54.43 H new ATOM 0 HD12 LEU A 69 4.700 -10.386 -2.521 1.00 54.43 H new ATOM 0 HD13 LEU A 69 3.186 -11.296 -2.740 1.00 54.43 H new ATOM 0 HD21 LEU A 69 2.085 -9.495 -4.976 1.00 21.11 H new ATOM 0 HD22 LEU A 69 1.095 -10.018 -3.592 1.00 21.11 H new ATOM 0 HD23 LEU A 69 1.264 -8.285 -3.961 1.00 21.11 H new ATOM 1088 N LEU A 70 3.944 -10.427 0.725 1.00 50.23 N ATOM 1089 CA LEU A 70 4.595 -11.660 1.179 1.00 71.33 C ATOM 1090 C LEU A 70 4.644 -12.688 0.040 1.00 51.32 C ATOM 1091 O LEU A 70 3.693 -13.442 -0.173 1.00 63.43 O ATOM 1092 CB LEU A 70 3.868 -12.253 2.398 1.00 72.15 C ATOM 1093 CG LEU A 70 3.856 -11.368 3.656 1.00 4.24 C ATOM 1094 CD1 LEU A 70 3.148 -12.078 4.805 1.00 12.43 C ATOM 1095 CD2 LEU A 70 5.277 -10.988 4.057 1.00 32.02 C ATOM 0 H LEU A 70 3.031 -10.251 1.144 1.00 50.23 H new ATOM 0 HA LEU A 70 5.614 -11.413 1.477 1.00 71.33 H new ATOM 0 HB2 LEU A 70 2.837 -12.467 2.116 1.00 72.15 H new ATOM 0 HB3 LEU A 70 4.334 -13.206 2.649 1.00 72.15 H new ATOM 0 HG LEU A 70 3.307 -10.455 3.427 1.00 4.24 H new ATOM 0 HD11 LEU A 70 3.150 -11.436 5.686 1.00 12.43 H new ATOM 0 HD12 LEU A 70 2.120 -12.298 4.518 1.00 12.43 H new ATOM 0 HD13 LEU A 70 3.668 -13.009 5.033 1.00 12.43 H new ATOM 0 HD21 LEU A 70 5.248 -10.362 4.949 1.00 32.02 H new ATOM 0 HD22 LEU A 70 5.850 -11.891 4.266 1.00 32.02 H new ATOM 0 HD23 LEU A 70 5.750 -10.439 3.243 1.00 32.02 H new ATOM 1107 N GLU A 71 5.751 -12.690 -0.698 1.00 23.52 N ATOM 1108 CA GLU A 71 5.894 -13.531 -1.896 1.00 24.21 C ATOM 1109 C GLU A 71 6.449 -14.931 -1.554 1.00 73.44 C ATOM 1110 O GLU A 71 5.636 -15.840 -1.268 1.00 37.54 O ATOM 1111 CB GLU A 71 6.810 -12.823 -2.909 1.00 31.01 C ATOM 1112 CG GLU A 71 6.871 -13.499 -4.274 1.00 35.15 C ATOM 1113 CD GLU A 71 7.848 -12.815 -5.215 1.00 41.20 C ATOM 1114 OE1 GLU A 71 7.491 -11.769 -5.795 1.00 15.41 O ATOM 1115 OE2 GLU A 71 8.983 -13.314 -5.368 1.00 45.33 O ATOM 0 H GLU A 71 6.569 -12.117 -0.491 1.00 23.52 H new ATOM 0 HA GLU A 71 4.905 -13.676 -2.331 1.00 24.21 H new ATOM 0 HB2 GLU A 71 6.465 -11.797 -3.039 1.00 31.01 H new ATOM 0 HB3 GLU A 71 7.818 -12.771 -2.496 1.00 31.01 H new ATOM 0 HG2 GLU A 71 7.162 -14.542 -4.147 1.00 35.15 H new ATOM 0 HG3 GLU A 71 5.877 -13.497 -4.722 1.00 35.15 H new TER 1122 GLU A 71