USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 804 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 THR OG1 : rot -41:sc= 0.381 USER MOD Set 2.1: A 26 THR OG1 : rot 83:sc= 0.506 USER MOD Set 2.2: A 38 THR OG1 : rot -87:sc= 1.54 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= -0.122 USER MOD Set 3.2: A 85 HIS : no HD1:sc= -0.566 X(o=-0.69,f=-0.76) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.0705 (180deg=-0.367) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -0.0881 K(o=-0.088,f=-3.9!) USER MOD Single : A 21 ASN : amide:sc= -0.307 K(o=-0.31,f=-5!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.128 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 32 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0.559 (180deg=0.383) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.79) USER MOD Single : A 54 GLN : amide:sc= 0.154 X(o=0.15,f=-0.029) USER MOD Single : A 60 THR OG1 : rot 141:sc= 0.716 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.166 K(o=0.17,f=-0.64) USER MOD Single : A 69 SER OG : rot 180:sc= 0.173 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 76 SER OG : rot -170:sc= 0.104 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -0.0346 (180deg=-0.374) USER MOD Single : A 93 SER OG : rot 180:sc= -0.818 USER MOD Single : A 94 LYS NZ :NH3+ 132:sc= 2.34 (180deg=1.08) USER MOD Single : A 96 MET CE :methyl 145:sc= -0.138 (180deg=-0.62) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0969 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 18.279 -10.866 17.889 1.00 0.86 N ATOM 21 CA ALA A 2 17.293 -10.265 17.004 1.00 0.87 C ATOM 22 C ALA A 2 17.791 -10.268 15.563 1.00 0.72 C ATOM 23 O ALA A 2 18.278 -9.254 15.057 1.00 0.87 O ATOM 24 CB ALA A 2 16.963 -8.851 17.455 1.00 1.10 C ATOM 0 HA ALA A 2 16.382 -10.861 17.051 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.224 -8.417 16.781 1.00 1.10 H new ATOM 0 HB2 ALA A 2 16.560 -8.877 18.467 1.00 1.10 H new ATOM 0 HB3 ALA A 2 17.868 -8.244 17.440 1.00 1.10 H new ATOM 30 N ALA A 3 17.691 -11.422 14.918 1.00 0.71 N ATOM 31 CA ALA A 3 18.124 -11.572 13.538 1.00 0.72 C ATOM 32 C ALA A 3 17.175 -12.486 12.772 1.00 0.70 C ATOM 33 O ALA A 3 17.207 -13.706 12.937 1.00 1.05 O ATOM 34 CB ALA A 3 19.538 -12.128 13.492 1.00 0.96 C ATOM 0 H ALA A 3 17.311 -12.273 15.333 1.00 0.71 H new ATOM 0 HA ALA A 3 18.113 -10.590 13.064 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.853 -12.237 12.454 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.214 -11.446 14.007 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.562 -13.101 13.982 1.00 0.96 H new ATOM 40 N GLN A 4 16.317 -11.892 11.954 1.00 0.66 N ATOM 41 CA GLN A 4 15.361 -12.653 11.162 1.00 0.68 C ATOM 42 C GLN A 4 14.936 -11.870 9.925 1.00 0.66 C ATOM 43 O GLN A 4 14.874 -10.642 9.948 1.00 0.81 O ATOM 44 CB GLN A 4 14.126 -13.004 11.996 1.00 0.83 C ATOM 45 CG GLN A 4 13.581 -11.839 12.804 1.00 0.97 C ATOM 46 CD GLN A 4 12.079 -11.906 12.994 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.486 -12.987 13.007 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.455 -10.754 13.165 1.00 1.63 N ATOM 0 H GLN A 4 16.264 -10.882 11.821 1.00 0.66 H new ATOM 0 HA GLN A 4 15.851 -13.574 10.846 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.343 -13.372 11.332 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.377 -13.819 12.675 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.065 -11.822 13.780 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.838 -10.905 12.304 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.982 -9.881 13.147 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.446 -10.738 13.315 1.00 1.63 H new ATOM 57 N SER A 5 14.673 -12.589 8.845 1.00 0.71 N ATOM 58 CA SER A 5 14.231 -11.987 7.596 1.00 0.76 C ATOM 59 C SER A 5 13.215 -12.904 6.915 1.00 0.73 C ATOM 60 O SER A 5 13.583 -13.907 6.303 1.00 1.11 O ATOM 61 CB SER A 5 15.432 -11.734 6.678 1.00 0.98 C ATOM 62 OG SER A 5 16.372 -10.871 7.304 1.00 1.18 O ATOM 0 H SER A 5 14.760 -13.605 8.809 1.00 0.71 H new ATOM 0 HA SER A 5 13.754 -11.030 7.806 1.00 0.76 H new ATOM 0 HB2 SER A 5 15.911 -12.681 6.428 1.00 0.98 H new ATOM 0 HB3 SER A 5 15.093 -11.292 5.741 1.00 0.98 H new ATOM 0 HG SER A 5 17.132 -10.723 6.703 1.00 1.18 H new ATOM 68 N ASP A 6 11.940 -12.573 7.050 1.00 0.62 N ATOM 69 CA ASP A 6 10.880 -13.376 6.457 1.00 0.68 C ATOM 70 C ASP A 6 10.365 -12.745 5.175 1.00 0.58 C ATOM 71 O ASP A 6 9.995 -11.572 5.152 1.00 0.80 O ATOM 72 CB ASP A 6 9.728 -13.556 7.447 1.00 0.89 C ATOM 73 CG ASP A 6 9.839 -14.841 8.238 1.00 1.54 C ATOM 74 OD1 ASP A 6 9.682 -15.926 7.640 1.00 1.98 O ATOM 75 OD2 ASP A 6 10.073 -14.774 9.463 1.00 2.18 O ATOM 0 H ASP A 6 11.614 -11.755 7.564 1.00 0.62 H new ATOM 0 HA ASP A 6 11.299 -14.353 6.215 1.00 0.68 H new ATOM 0 HB2 ASP A 6 9.709 -12.710 8.135 1.00 0.89 H new ATOM 0 HB3 ASP A 6 8.783 -13.548 6.905 1.00 0.89 H new ATOM 80 N LYS A 7 10.357 -13.527 4.106 1.00 0.54 N ATOM 81 CA LYS A 7 9.883 -13.057 2.812 1.00 0.58 C ATOM 82 C LYS A 7 8.731 -13.932 2.338 1.00 0.53 C ATOM 83 O LYS A 7 8.946 -15.034 1.833 1.00 0.85 O ATOM 84 CB LYS A 7 11.015 -13.072 1.779 1.00 0.81 C ATOM 85 CG LYS A 7 12.230 -12.247 2.183 1.00 1.05 C ATOM 86 CD LYS A 7 11.866 -10.786 2.409 1.00 1.24 C ATOM 87 CE LYS A 7 13.036 -9.991 2.976 1.00 1.58 C ATOM 88 NZ LYS A 7 12.697 -8.555 3.166 1.00 1.91 N ATOM 0 H LYS A 7 10.675 -14.496 4.109 1.00 0.54 H new ATOM 0 HA LYS A 7 9.535 -12.030 2.921 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.327 -14.103 1.612 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.633 -12.697 0.830 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.664 -12.659 3.094 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.992 -12.317 1.407 1.00 1.05 H new ATOM 0 HD2 LYS A 7 11.547 -10.341 1.466 1.00 1.24 H new ATOM 0 HD3 LYS A 7 11.019 -10.724 3.093 1.00 1.24 H new ATOM 0 HE2 LYS A 7 13.337 -10.421 3.931 1.00 1.58 H new ATOM 0 HE3 LYS A 7 13.890 -10.076 2.305 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 13.521 -8.052 3.553 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 12.434 -8.136 2.251 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.898 -8.471 3.827 1.00 1.91 H new ATOM 102 N ASP A 8 7.513 -13.442 2.507 1.00 0.50 N ATOM 103 CA ASP A 8 6.322 -14.183 2.117 1.00 0.54 C ATOM 104 C ASP A 8 5.291 -13.238 1.518 1.00 0.51 C ATOM 105 O ASP A 8 5.280 -12.050 1.833 1.00 0.83 O ATOM 106 CB ASP A 8 5.735 -14.904 3.336 1.00 0.75 C ATOM 107 CG ASP A 8 4.523 -15.751 2.996 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.535 -16.424 1.941 1.00 1.44 O ATOM 109 OD2 ASP A 8 3.560 -15.767 3.796 1.00 1.72 O ATOM 0 H ASP A 8 7.322 -12.527 2.915 1.00 0.50 H new ATOM 0 HA ASP A 8 6.594 -14.924 1.365 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.502 -15.539 3.780 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.456 -14.166 4.088 1.00 0.75 H new ATOM 114 N VAL A 9 4.434 -13.760 0.657 1.00 0.39 N ATOM 115 CA VAL A 9 3.408 -12.950 0.021 1.00 0.35 C ATOM 116 C VAL A 9 2.025 -13.325 0.554 1.00 0.33 C ATOM 117 O VAL A 9 1.443 -14.344 0.171 1.00 0.44 O ATOM 118 CB VAL A 9 3.456 -13.076 -1.527 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.531 -14.532 -1.962 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.264 -12.382 -2.173 1.00 0.47 C ATOM 0 H VAL A 9 4.428 -14.742 0.382 1.00 0.39 H new ATOM 0 HA VAL A 9 3.606 -11.907 0.269 1.00 0.35 H new ATOM 0 HB VAL A 9 4.364 -12.577 -1.867 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.563 -14.585 -3.050 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.430 -14.989 -1.549 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.653 -15.066 -1.598 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.325 -12.487 -3.256 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.340 -12.837 -1.816 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.272 -11.324 -1.910 1.00 0.47 H new ATOM 130 N LYS A 10 1.519 -12.512 1.465 1.00 0.30 N ATOM 131 CA LYS A 10 0.213 -12.753 2.057 1.00 0.34 C ATOM 132 C LYS A 10 -0.871 -12.034 1.262 1.00 0.34 C ATOM 133 O LYS A 10 -0.783 -10.832 1.025 1.00 0.48 O ATOM 134 CB LYS A 10 0.202 -12.294 3.516 1.00 0.42 C ATOM 135 CG LYS A 10 -1.129 -12.511 4.218 1.00 0.93 C ATOM 136 CD LYS A 10 -0.974 -12.448 5.730 1.00 0.98 C ATOM 137 CE LYS A 10 -0.441 -13.757 6.293 1.00 1.27 C ATOM 138 NZ LYS A 10 -1.409 -14.877 6.129 1.00 1.97 N ATOM 0 H LYS A 10 1.993 -11.678 1.812 1.00 0.30 H new ATOM 0 HA LYS A 10 0.008 -13.823 2.028 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.981 -12.828 4.061 1.00 0.42 H new ATOM 0 HB3 LYS A 10 0.454 -11.234 3.556 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -1.842 -11.754 3.892 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.539 -13.480 3.933 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -0.297 -11.635 5.993 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -1.938 -12.221 6.186 1.00 0.98 H new ATOM 0 HE2 LYS A 10 0.494 -14.011 5.793 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -0.212 -13.629 7.351 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -1.166 -15.645 6.787 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -2.371 -14.537 6.333 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -1.367 -15.232 5.152 1.00 1.97 H new ATOM 152 N TYR A 11 -1.882 -12.776 0.837 1.00 0.34 N ATOM 153 CA TYR A 11 -2.974 -12.200 0.067 1.00 0.35 C ATOM 154 C TYR A 11 -3.976 -11.504 0.981 1.00 0.33 C ATOM 155 O TYR A 11 -4.600 -12.137 1.835 1.00 0.39 O ATOM 156 CB TYR A 11 -3.669 -13.282 -0.761 1.00 0.43 C ATOM 157 CG TYR A 11 -2.784 -13.864 -1.839 1.00 0.50 C ATOM 158 CD1 TYR A 11 -2.664 -13.243 -3.077 1.00 0.81 C ATOM 159 CD2 TYR A 11 -2.062 -15.033 -1.614 1.00 0.85 C ATOM 160 CE1 TYR A 11 -1.850 -13.769 -4.061 1.00 0.95 C ATOM 161 CE2 TYR A 11 -1.247 -15.564 -2.594 1.00 0.96 C ATOM 162 CZ TYR A 11 -1.142 -14.930 -3.814 1.00 0.83 C ATOM 163 OH TYR A 11 -0.331 -15.456 -4.792 1.00 1.03 O ATOM 0 H TYR A 11 -1.969 -13.777 1.012 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.558 -11.454 -0.610 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.999 -14.082 -0.099 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.563 -12.861 -1.221 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -3.216 -12.335 -3.272 1.00 0.81 H new ATOM 0 HD2 TYR A 11 -2.141 -15.532 -0.659 1.00 0.85 H new ATOM 0 HE1 TYR A 11 -1.767 -13.276 -5.018 1.00 0.95 H new ATOM 0 HE2 TYR A 11 -0.694 -16.472 -2.406 1.00 0.96 H new ATOM 0 HH TYR A 11 0.096 -16.272 -4.458 1.00 1.03 H new ATOM 173 N TYR A 12 -4.120 -10.201 0.797 1.00 0.37 N ATOM 174 CA TYR A 12 -5.035 -9.412 1.601 1.00 0.41 C ATOM 175 C TYR A 12 -6.319 -9.127 0.835 1.00 0.42 C ATOM 176 O TYR A 12 -6.398 -9.344 -0.376 1.00 0.45 O ATOM 177 CB TYR A 12 -4.378 -8.095 2.022 1.00 0.45 C ATOM 178 CG TYR A 12 -3.306 -8.263 3.075 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.642 -8.378 4.418 1.00 0.77 C ATOM 180 CD2 TYR A 12 -1.962 -8.307 2.728 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.669 -8.533 5.384 1.00 0.91 C ATOM 182 CE2 TYR A 12 -0.982 -8.463 3.690 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.342 -8.574 5.016 1.00 0.82 C ATOM 184 OH TYR A 12 -0.375 -8.727 5.978 1.00 1.02 O ATOM 0 H TYR A 12 -3.611 -9.667 0.093 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.282 -9.987 2.494 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -3.942 -7.619 1.144 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.146 -7.421 2.401 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.681 -8.346 4.711 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.678 -8.218 1.690 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.946 -8.622 6.424 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.059 -8.498 3.405 1.00 0.82 H new ATOM 0 HH TYR A 12 0.509 -8.738 5.555 1.00 1.02 H new ATOM 194 N THR A 13 -7.322 -8.649 1.552 1.00 0.47 N ATOM 195 CA THR A 13 -8.612 -8.326 0.963 1.00 0.51 C ATOM 196 C THR A 13 -8.717 -6.825 0.684 1.00 0.47 C ATOM 197 O THR A 13 -8.074 -6.018 1.361 1.00 0.46 O ATOM 198 CB THR A 13 -9.752 -8.758 1.910 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.312 -9.862 2.716 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.994 -9.163 1.131 1.00 0.86 C ATOM 0 H THR A 13 -7.266 -8.474 2.555 1.00 0.47 H new ATOM 0 HA THR A 13 -8.702 -8.866 0.020 1.00 0.51 H new ATOM 0 HB THR A 13 -10.009 -7.909 2.544 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.035 -10.136 3.319 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.778 -9.462 1.826 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.340 -8.319 0.534 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.755 -9.999 0.473 1.00 0.86 H new ATOM 208 N LEU A 14 -9.515 -6.456 -0.313 1.00 0.50 N ATOM 209 CA LEU A 14 -9.705 -5.052 -0.677 1.00 0.51 C ATOM 210 C LEU A 14 -10.185 -4.235 0.521 1.00 0.48 C ATOM 211 O LEU A 14 -9.646 -3.169 0.820 1.00 0.51 O ATOM 212 CB LEU A 14 -10.712 -4.934 -1.824 1.00 0.58 C ATOM 213 CG LEU A 14 -10.902 -3.521 -2.380 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.625 -3.034 -3.051 1.00 1.00 C ATOM 215 CD2 LEU A 14 -12.061 -3.487 -3.361 1.00 0.95 C ATOM 0 H LEU A 14 -10.044 -7.112 -0.887 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.743 -4.655 -1.001 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.392 -5.587 -2.636 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.677 -5.304 -1.479 1.00 0.58 H new ATOM 0 HG LEU A 14 -11.131 -2.854 -1.549 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.779 -2.028 -3.440 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.814 -3.021 -2.323 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.366 -3.704 -3.871 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -12.182 -2.475 -3.746 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.858 -4.168 -4.187 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.976 -3.794 -2.854 1.00 0.95 H new ATOM 227 N GLU A 15 -11.185 -4.752 1.222 1.00 0.50 N ATOM 228 CA GLU A 15 -11.738 -4.073 2.390 1.00 0.53 C ATOM 229 C GLU A 15 -10.850 -4.259 3.621 1.00 0.51 C ATOM 230 O GLU A 15 -11.176 -3.791 4.709 1.00 0.61 O ATOM 231 CB GLU A 15 -13.146 -4.588 2.689 1.00 0.61 C ATOM 232 CG GLU A 15 -13.257 -6.103 2.670 1.00 0.67 C ATOM 233 CD GLU A 15 -13.757 -6.623 1.341 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.946 -6.737 0.399 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.967 -6.914 1.231 1.00 1.05 O ATOM 0 H GLU A 15 -11.632 -5.642 1.003 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.782 -3.009 2.159 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.458 -4.222 3.667 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.839 -4.172 1.957 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.282 -6.540 2.885 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.933 -6.426 3.462 1.00 0.67 H new ATOM 242 N GLU A 16 -9.727 -4.939 3.447 1.00 0.46 N ATOM 243 CA GLU A 16 -8.804 -5.181 4.544 1.00 0.50 C ATOM 244 C GLU A 16 -7.677 -4.154 4.531 1.00 0.46 C ATOM 245 O GLU A 16 -7.244 -3.676 5.582 1.00 0.51 O ATOM 246 CB GLU A 16 -8.236 -6.601 4.448 1.00 0.58 C ATOM 247 CG GLU A 16 -7.304 -6.979 5.592 1.00 1.05 C ATOM 248 CD GLU A 16 -8.020 -7.102 6.923 1.00 1.60 C ATOM 249 OE1 GLU A 16 -9.252 -6.891 6.969 1.00 2.19 O ATOM 250 OE2 GLU A 16 -7.353 -7.412 7.931 1.00 2.32 O ATOM 0 H GLU A 16 -9.433 -5.334 2.554 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.345 -5.082 5.485 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.063 -7.310 4.419 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.697 -6.702 3.506 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -6.817 -7.926 5.359 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.518 -6.228 5.676 1.00 1.05 H new ATOM 257 N ILE A 17 -7.218 -3.803 3.339 1.00 0.42 N ATOM 258 CA ILE A 17 -6.132 -2.839 3.194 1.00 0.44 C ATOM 259 C ILE A 17 -6.602 -1.410 3.460 1.00 0.43 C ATOM 260 O ILE A 17 -5.926 -0.649 4.153 1.00 0.48 O ATOM 261 CB ILE A 17 -5.459 -2.921 1.800 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.499 -2.994 0.675 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.537 -4.127 1.735 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.741 -1.672 -0.021 1.00 0.98 C ATOM 0 H ILE A 17 -7.578 -4.169 2.458 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.390 -3.106 3.946 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.876 -2.011 1.658 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.172 -3.727 -0.062 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.441 -3.355 1.087 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.070 -4.175 0.752 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.765 -4.037 2.500 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.114 -5.036 1.907 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.488 -1.804 -0.803 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -7.099 -0.940 0.703 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.810 -1.318 -0.464 1.00 0.98 H new ATOM 276 N LYS A 18 -7.777 -1.055 2.949 1.00 0.42 N ATOM 277 CA LYS A 18 -8.309 0.293 3.134 1.00 0.48 C ATOM 278 C LYS A 18 -8.959 0.447 4.506 1.00 0.50 C ATOM 279 O LYS A 18 -9.623 1.443 4.783 1.00 0.63 O ATOM 280 CB LYS A 18 -9.307 0.645 2.024 1.00 0.56 C ATOM 281 CG LYS A 18 -10.576 -0.194 2.032 1.00 0.53 C ATOM 282 CD LYS A 18 -11.634 0.397 1.111 1.00 0.87 C ATOM 283 CE LYS A 18 -11.181 0.395 -0.341 1.00 1.05 C ATOM 284 NZ LYS A 18 -11.469 1.688 -1.018 1.00 1.48 N ATOM 0 H LYS A 18 -8.377 -1.677 2.407 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.472 0.989 3.077 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.580 1.696 2.117 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.815 0.528 1.059 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.344 -1.212 1.717 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.968 -0.256 3.047 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.558 -0.174 1.205 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.857 1.418 1.421 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.111 0.193 -0.386 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.681 -0.413 -0.875 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.144 1.643 -2.005 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.493 1.870 -0.998 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -10.972 2.457 -0.525 1.00 1.48 H new ATOM 298 N LYS A 19 -8.769 -0.550 5.355 1.00 0.47 N ATOM 299 CA LYS A 19 -9.313 -0.528 6.701 1.00 0.53 C ATOM 300 C LYS A 19 -8.169 -0.567 7.713 1.00 0.54 C ATOM 301 O LYS A 19 -8.382 -0.656 8.920 1.00 0.67 O ATOM 302 CB LYS A 19 -10.256 -1.718 6.913 1.00 0.60 C ATOM 303 CG LYS A 19 -11.264 -1.518 8.035 1.00 0.84 C ATOM 304 CD LYS A 19 -12.284 -0.443 7.689 1.00 1.09 C ATOM 305 CE LYS A 19 -13.665 -1.039 7.458 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.690 0.007 7.193 1.00 1.68 N ATOM 0 H LYS A 19 -8.237 -1.391 5.132 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.884 0.390 6.843 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.794 -1.911 5.985 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.661 -2.606 7.127 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.779 -2.458 8.234 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.740 -1.242 8.950 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.332 0.288 8.496 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.963 0.091 6.795 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -13.625 -1.729 6.615 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.959 -1.621 8.332 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.615 -0.444 7.042 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -14.748 0.651 8.008 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.424 0.546 6.344 1.00 1.68 H new ATOM 320 N HIS A 20 -6.946 -0.500 7.204 1.00 0.55 N ATOM 321 CA HIS A 20 -5.760 -0.532 8.051 1.00 0.59 C ATOM 322 C HIS A 20 -5.070 0.826 8.069 1.00 0.58 C ATOM 323 O HIS A 20 -4.194 1.075 8.893 1.00 0.66 O ATOM 324 CB HIS A 20 -4.780 -1.605 7.560 1.00 0.68 C ATOM 325 CG HIS A 20 -4.909 -2.920 8.266 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.814 -3.890 7.896 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.230 -3.428 9.321 1.00 0.98 C ATOM 328 CE1 HIS A 20 -5.688 -4.933 8.695 1.00 1.07 C ATOM 329 NE2 HIS A 20 -4.733 -4.681 9.567 1.00 1.13 N ATOM 0 H HIS A 20 -6.749 -0.423 6.206 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.077 -0.776 9.065 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -4.934 -1.761 6.492 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.762 -1.236 7.684 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.478 -3.814 7.125 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.438 -2.938 9.868 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -6.270 -5.841 8.643 1.00 1.07 H new ATOM 338 N ASN A 21 -5.490 1.705 7.173 1.00 0.58 N ATOM 339 CA ASN A 21 -4.905 3.037 7.056 1.00 0.61 C ATOM 340 C ASN A 21 -5.260 3.916 8.258 1.00 0.60 C ATOM 341 O ASN A 21 -6.195 4.710 8.218 1.00 0.75 O ATOM 342 CB ASN A 21 -5.340 3.704 5.737 1.00 0.72 C ATOM 343 CG ASN A 21 -6.852 3.797 5.559 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.618 3.039 6.156 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.290 4.715 4.710 1.00 0.88 N ATOM 0 H ASN A 21 -6.241 1.520 6.509 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.821 2.925 7.045 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.917 4.707 5.692 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.920 3.143 4.902 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.290 4.811 4.534 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.627 5.326 4.233 1.00 0.88 H new ATOM 352 N HIS A 22 -4.511 3.750 9.342 1.00 0.64 N ATOM 353 CA HIS A 22 -4.739 4.524 10.555 1.00 0.76 C ATOM 354 C HIS A 22 -3.497 5.330 10.921 1.00 0.88 C ATOM 355 O HIS A 22 -3.433 6.535 10.675 1.00 1.61 O ATOM 356 CB HIS A 22 -5.129 3.605 11.724 1.00 0.83 C ATOM 357 CG HIS A 22 -6.362 2.791 11.480 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.525 1.513 11.969 1.00 1.32 N ATOM 359 CD2 HIS A 22 -7.494 3.080 10.800 1.00 1.17 C ATOM 360 CE1 HIS A 22 -7.703 1.051 11.595 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.309 1.982 10.884 1.00 1.09 N ATOM 0 H HIS A 22 -3.740 3.085 9.405 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.562 5.213 10.363 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.298 2.931 11.935 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -5.280 4.214 12.615 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -7.715 4.004 10.286 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.103 0.076 11.831 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.235 1.898 10.464 1.00 1.09 H new ATOM 370 N SER A 23 -2.514 4.658 11.505 1.00 0.60 N ATOM 371 CA SER A 23 -1.277 5.315 11.910 1.00 0.62 C ATOM 372 C SER A 23 -0.101 4.341 11.897 1.00 0.52 C ATOM 373 O SER A 23 0.962 4.645 11.354 1.00 0.62 O ATOM 374 CB SER A 23 -1.442 5.915 13.305 1.00 0.84 C ATOM 375 OG SER A 23 -2.270 5.093 14.118 1.00 1.32 O ATOM 0 H SER A 23 -2.548 3.659 11.709 1.00 0.60 H new ATOM 0 HA SER A 23 -1.064 6.109 11.194 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.465 6.029 13.774 1.00 0.84 H new ATOM 0 HB3 SER A 23 -1.877 6.912 13.227 1.00 0.84 H new ATOM 0 HG SER A 23 -2.360 5.496 15.007 1.00 1.32 H new ATOM 381 N LYS A 24 -0.296 3.169 12.489 1.00 0.51 N ATOM 382 CA LYS A 24 0.756 2.160 12.545 1.00 0.51 C ATOM 383 C LYS A 24 0.435 0.970 11.641 1.00 0.44 C ATOM 384 O LYS A 24 0.872 -0.152 11.888 1.00 0.45 O ATOM 385 CB LYS A 24 0.965 1.694 13.988 1.00 0.71 C ATOM 386 CG LYS A 24 -0.317 1.308 14.709 1.00 0.97 C ATOM 387 CD LYS A 24 -0.048 0.967 16.164 1.00 1.41 C ATOM 388 CE LYS A 24 -1.338 0.744 16.932 1.00 1.88 C ATOM 389 NZ LYS A 24 -1.095 0.593 18.390 1.00 2.36 N ATOM 0 H LYS A 24 -1.170 2.894 12.936 1.00 0.51 H new ATOM 0 HA LYS A 24 1.678 2.614 12.182 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.640 0.838 13.988 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.458 2.489 14.547 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.031 2.130 14.651 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.774 0.453 14.211 1.00 0.97 H new ATOM 0 HD2 LYS A 24 0.570 0.071 16.220 1.00 1.41 H new ATOM 0 HD3 LYS A 24 0.518 1.774 16.629 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -2.012 1.583 16.761 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -1.837 -0.148 16.553 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -2.000 0.442 18.879 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -0.472 -0.223 18.555 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -0.642 1.454 18.757 1.00 2.36 H new ATOM 403 N SER A 25 -0.341 1.224 10.598 1.00 0.43 N ATOM 404 CA SER A 25 -0.720 0.190 9.641 1.00 0.42 C ATOM 405 C SER A 25 -1.058 0.832 8.300 1.00 0.42 C ATOM 406 O SER A 25 -1.827 0.291 7.505 1.00 0.50 O ATOM 407 CB SER A 25 -1.918 -0.618 10.157 1.00 0.48 C ATOM 408 OG SER A 25 -1.669 -1.156 11.447 1.00 0.83 O ATOM 0 H SER A 25 -0.725 2.146 10.390 1.00 0.43 H new ATOM 0 HA SER A 25 0.120 -0.492 9.513 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.800 0.021 10.193 1.00 0.48 H new ATOM 0 HB3 SER A 25 -2.139 -1.427 9.461 1.00 0.48 H new ATOM 0 HG SER A 25 -2.452 -1.663 11.747 1.00 0.83 H new ATOM 414 N THR A 26 -0.464 1.989 8.055 1.00 0.42 N ATOM 415 CA THR A 26 -0.696 2.727 6.827 1.00 0.43 C ATOM 416 C THR A 26 -0.019 2.041 5.646 1.00 0.36 C ATOM 417 O THR A 26 1.180 2.211 5.413 1.00 0.41 O ATOM 418 CB THR A 26 -0.170 4.163 6.963 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.385 4.620 8.307 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.866 5.098 5.986 1.00 0.56 C ATOM 0 H THR A 26 0.188 2.439 8.698 1.00 0.42 H new ATOM 0 HA THR A 26 -1.770 2.753 6.645 1.00 0.43 H new ATOM 0 HB THR A 26 0.895 4.166 6.733 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.344 4.304 8.881 1.00 0.64 H new ATOM 0 HG21 THR A 26 -0.473 6.108 6.106 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.687 4.757 4.966 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.938 5.100 6.185 1.00 0.56 H new ATOM 428 N TRP A 27 -0.795 1.251 4.918 1.00 0.35 N ATOM 429 CA TRP A 27 -0.285 0.523 3.769 1.00 0.33 C ATOM 430 C TRP A 27 -0.581 1.263 2.470 1.00 0.32 C ATOM 431 O TRP A 27 -1.623 1.909 2.328 1.00 0.36 O ATOM 432 CB TRP A 27 -0.894 -0.882 3.720 1.00 0.38 C ATOM 433 CG TRP A 27 -0.507 -1.744 4.884 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.592 -1.603 5.681 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.214 -2.888 5.378 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.609 -2.583 6.642 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.488 -3.385 6.476 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.392 -3.533 4.998 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.902 -4.503 7.197 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.803 -4.640 5.715 1.00 0.68 C ATOM 441 CH2 TRP A 27 -2.058 -5.116 6.802 1.00 0.71 C ATOM 0 H TRP A 27 -1.786 1.098 5.106 1.00 0.35 H new ATOM 0 HA TRP A 27 0.797 0.443 3.876 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.980 -0.797 3.686 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.584 -1.372 2.797 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.340 -0.832 5.571 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.322 -2.695 7.362 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.971 -3.174 4.160 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.331 -4.871 8.036 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.714 -5.147 5.433 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.405 -5.986 7.339 1.00 0.71 H new ATOM 452 N LEU A 28 0.345 1.160 1.534 1.00 0.32 N ATOM 453 CA LEU A 28 0.206 1.796 0.237 1.00 0.33 C ATOM 454 C LEU A 28 0.211 0.733 -0.848 1.00 0.32 C ATOM 455 O LEU A 28 0.900 -0.280 -0.727 1.00 0.32 O ATOM 456 CB LEU A 28 1.343 2.790 0.002 1.00 0.36 C ATOM 457 CG LEU A 28 0.997 4.256 0.274 1.00 0.56 C ATOM 458 CD1 LEU A 28 2.179 4.972 0.904 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.580 4.950 -1.014 1.00 0.99 C ATOM 0 H LEU A 28 1.212 0.635 1.651 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.737 2.342 0.208 1.00 0.33 H new ATOM 0 HB2 LEU A 28 2.185 2.509 0.634 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.676 2.698 -1.032 1.00 0.36 H new ATOM 0 HG LEU A 28 0.161 4.291 0.972 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.916 6.013 1.091 1.00 0.85 H new ATOM 0 HD12 LEU A 28 2.437 4.488 1.846 1.00 0.85 H new ATOM 0 HD13 LEU A 28 3.033 4.929 0.228 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.337 5.992 -0.804 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.399 4.906 -1.732 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.295 4.450 -1.430 1.00 0.99 H new ATOM 471 N ILE A 29 -0.559 0.954 -1.897 1.00 0.35 N ATOM 472 CA ILE A 29 -0.627 0.000 -2.987 1.00 0.36 C ATOM 473 C ILE A 29 0.096 0.525 -4.223 1.00 0.36 C ATOM 474 O ILE A 29 -0.215 1.601 -4.735 1.00 0.39 O ATOM 475 CB ILE A 29 -2.091 -0.352 -3.345 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.763 -1.081 -2.179 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.149 -1.203 -4.609 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.190 -1.496 -2.466 1.00 0.80 C ATOM 0 H ILE A 29 -1.143 1.781 -2.017 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.129 -0.908 -2.647 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.630 0.576 -3.534 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.179 -1.967 -1.930 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.751 -0.434 -1.302 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.187 -1.439 -4.842 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.707 -0.652 -5.439 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.594 -2.128 -4.451 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.602 -2.007 -1.596 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.789 -0.612 -2.685 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.208 -2.168 -3.324 1.00 0.80 H new ATOM 490 N LEU A 30 1.079 -0.236 -4.678 1.00 0.34 N ATOM 491 CA LEU A 30 1.848 0.113 -5.862 1.00 0.37 C ATOM 492 C LEU A 30 1.900 -1.095 -6.779 1.00 0.38 C ATOM 493 O LEU A 30 2.257 -2.187 -6.341 1.00 0.38 O ATOM 494 CB LEU A 30 3.266 0.548 -5.490 1.00 0.38 C ATOM 495 CG LEU A 30 3.361 1.706 -4.499 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.789 1.848 -4.003 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.886 3.001 -5.141 1.00 0.48 C ATOM 0 H LEU A 30 1.366 -1.111 -4.238 1.00 0.34 H new ATOM 0 HA LEU A 30 1.366 0.950 -6.367 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.792 -0.310 -5.071 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.792 0.830 -6.402 1.00 0.38 H new ATOM 0 HG LEU A 30 2.714 1.493 -3.648 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.848 2.676 -3.297 1.00 0.44 H new ATOM 0 HD12 LEU A 30 5.096 0.926 -3.508 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.450 2.044 -4.848 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.961 3.814 -4.419 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.507 3.227 -6.008 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.849 2.891 -5.457 1.00 0.48 H new ATOM 509 N HIS A 31 1.513 -0.906 -8.035 1.00 0.41 N ATOM 510 CA HIS A 31 1.486 -1.993 -9.010 1.00 0.43 C ATOM 511 C HIS A 31 0.464 -3.031 -8.568 1.00 0.42 C ATOM 512 O HIS A 31 0.586 -4.217 -8.880 1.00 0.45 O ATOM 513 CB HIS A 31 2.869 -2.640 -9.172 1.00 0.47 C ATOM 514 CG HIS A 31 3.804 -1.883 -10.067 1.00 0.66 C ATOM 515 ND1 HIS A 31 4.402 -2.448 -11.172 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.265 -0.609 -10.007 1.00 1.10 C ATOM 517 CE1 HIS A 31 5.188 -1.561 -11.752 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.126 -0.435 -11.066 1.00 1.18 N ATOM 0 H HIS A 31 1.212 -0.005 -8.405 1.00 0.41 H new ATOM 0 HA HIS A 31 1.204 -1.584 -9.980 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.328 -2.740 -8.188 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.742 -3.647 -9.568 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.005 0.132 -9.265 1.00 1.10 H new ATOM 0 HE1 HIS A 31 5.782 -1.728 -12.638 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.633 0.423 -11.285 1.00 1.18 H new ATOM 527 N HIS A 32 -0.543 -2.553 -7.830 1.00 0.42 N ATOM 528 CA HIS A 32 -1.617 -3.392 -7.301 1.00 0.44 C ATOM 529 C HIS A 32 -1.093 -4.392 -6.268 1.00 0.40 C ATOM 530 O HIS A 32 -1.638 -5.486 -6.108 1.00 0.44 O ATOM 531 CB HIS A 32 -2.360 -4.108 -8.431 1.00 0.52 C ATOM 532 CG HIS A 32 -3.131 -3.169 -9.310 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.120 -3.238 -10.687 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.930 -2.118 -8.998 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.874 -2.272 -11.180 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.378 -1.580 -10.177 1.00 0.97 N ATOM 0 H HIS A 32 -0.634 -1.568 -7.583 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.325 -2.737 -6.792 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.642 -4.659 -9.038 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -3.044 -4.840 -8.002 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.169 -1.769 -8.004 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.048 -2.081 -12.229 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.000 -0.776 -10.264 1.00 0.97 H new ATOM 545 N LYS A 33 -0.030 -4.001 -5.570 1.00 0.37 N ATOM 546 CA LYS A 33 0.564 -4.832 -4.527 1.00 0.37 C ATOM 547 C LYS A 33 0.554 -4.067 -3.206 1.00 0.33 C ATOM 548 O LYS A 33 0.501 -2.838 -3.206 1.00 0.36 O ATOM 549 CB LYS A 33 1.991 -5.236 -4.903 1.00 0.40 C ATOM 550 CG LYS A 33 2.090 -5.923 -6.253 1.00 0.57 C ATOM 551 CD LYS A 33 3.399 -6.682 -6.400 1.00 0.79 C ATOM 552 CE LYS A 33 3.438 -7.461 -7.701 1.00 0.94 C ATOM 553 NZ LYS A 33 4.398 -8.593 -7.634 1.00 1.02 N ATOM 0 H LYS A 33 0.441 -3.107 -5.710 1.00 0.37 H new ATOM 0 HA LYS A 33 -0.023 -5.744 -4.420 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.622 -4.347 -4.909 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.386 -5.902 -4.136 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.254 -6.612 -6.374 1.00 0.57 H new ATOM 0 HG3 LYS A 33 2.008 -5.180 -7.047 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.234 -5.982 -6.367 1.00 0.79 H new ATOM 0 HD3 LYS A 33 3.523 -7.365 -5.560 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.442 -7.841 -7.928 1.00 0.94 H new ATOM 0 HE3 LYS A 33 3.718 -6.794 -8.516 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.629 -8.909 -8.597 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 5.267 -8.283 -7.153 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 3.971 -9.380 -7.105 1.00 1.02 H new ATOM 567 N VAL A 34 0.609 -4.787 -2.089 1.00 0.30 N ATOM 568 CA VAL A 34 0.564 -4.153 -0.772 1.00 0.30 C ATOM 569 C VAL A 34 1.962 -3.928 -0.200 1.00 0.27 C ATOM 570 O VAL A 34 2.716 -4.879 0.022 1.00 0.28 O ATOM 571 CB VAL A 34 -0.259 -4.997 0.231 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.470 -4.233 1.535 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.596 -5.403 -0.377 1.00 0.35 C ATOM 0 H VAL A 34 0.684 -5.804 -2.067 1.00 0.30 H new ATOM 0 HA VAL A 34 0.082 -3.186 -0.914 1.00 0.30 H new ATOM 0 HB VAL A 34 0.304 -5.903 0.455 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.051 -4.845 2.225 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.497 -4.001 1.981 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.007 -3.307 1.331 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.159 -5.995 0.344 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.165 -4.510 -0.635 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.422 -5.995 -1.276 1.00 0.35 H new ATOM 583 N TYR A 35 2.296 -2.666 0.045 1.00 0.28 N ATOM 584 CA TYR A 35 3.593 -2.305 0.605 1.00 0.28 C ATOM 585 C TYR A 35 3.412 -1.636 1.963 1.00 0.30 C ATOM 586 O TYR A 35 2.652 -0.674 2.091 1.00 0.32 O ATOM 587 CB TYR A 35 4.350 -1.353 -0.330 1.00 0.31 C ATOM 588 CG TYR A 35 4.684 -1.944 -1.678 1.00 0.31 C ATOM 589 CD1 TYR A 35 3.761 -1.925 -2.710 1.00 0.43 C ATOM 590 CD2 TYR A 35 5.927 -2.513 -1.918 1.00 0.35 C ATOM 591 CE1 TYR A 35 4.064 -2.456 -3.946 1.00 0.47 C ATOM 592 CE2 TYR A 35 6.239 -3.049 -3.153 1.00 0.40 C ATOM 593 CZ TYR A 35 5.303 -3.017 -4.165 1.00 0.41 C ATOM 594 OH TYR A 35 5.604 -3.541 -5.401 1.00 0.48 O ATOM 0 H TYR A 35 1.682 -1.872 -0.137 1.00 0.28 H new ATOM 0 HA TYR A 35 4.173 -3.220 0.721 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.751 -0.455 -0.478 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.274 -1.043 0.157 1.00 0.31 H new ATOM 0 HD1 TYR A 35 2.788 -1.487 -2.544 1.00 0.43 H new ATOM 0 HD2 TYR A 35 6.662 -2.537 -1.127 1.00 0.35 H new ATOM 0 HE1 TYR A 35 3.332 -2.432 -4.740 1.00 0.47 H new ATOM 0 HE2 TYR A 35 7.210 -3.490 -3.324 1.00 0.40 H new ATOM 0 HH TYR A 35 6.517 -3.897 -5.392 1.00 0.48 H new ATOM 604 N ASP A 36 4.095 -2.156 2.973 1.00 0.32 N ATOM 605 CA ASP A 36 4.019 -1.593 4.314 1.00 0.36 C ATOM 606 C ASP A 36 5.200 -0.680 4.575 1.00 0.38 C ATOM 607 O ASP A 36 6.351 -1.116 4.612 1.00 0.50 O ATOM 608 CB ASP A 36 3.978 -2.687 5.383 1.00 0.43 C ATOM 609 CG ASP A 36 4.115 -2.122 6.792 1.00 0.57 C ATOM 610 OD1 ASP A 36 3.662 -0.979 7.033 1.00 0.90 O ATOM 611 OD2 ASP A 36 4.677 -2.824 7.662 1.00 1.28 O ATOM 0 H ASP A 36 4.708 -2.967 2.890 1.00 0.32 H new ATOM 0 HA ASP A 36 3.094 -1.019 4.371 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.039 -3.235 5.303 1.00 0.43 H new ATOM 0 HB3 ASP A 36 4.781 -3.401 5.200 1.00 0.43 H new ATOM 616 N LEU A 37 4.899 0.587 4.752 1.00 0.37 N ATOM 617 CA LEU A 37 5.908 1.587 5.028 1.00 0.43 C ATOM 618 C LEU A 37 5.335 2.604 6.000 1.00 0.37 C ATOM 619 O LEU A 37 5.728 3.770 6.013 1.00 0.40 O ATOM 620 CB LEU A 37 6.369 2.268 3.732 1.00 0.56 C ATOM 621 CG LEU A 37 5.327 3.142 3.036 1.00 0.66 C ATOM 622 CD1 LEU A 37 6.006 4.288 2.301 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.494 2.312 2.076 1.00 0.80 C ATOM 0 H LEU A 37 3.948 0.954 4.709 1.00 0.37 H new ATOM 0 HA LEU A 37 6.781 1.111 5.474 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.241 2.883 3.957 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.694 1.497 3.034 1.00 0.56 H new ATOM 0 HG LEU A 37 4.663 3.561 3.792 1.00 0.66 H new ATOM 0 HD11 LEU A 37 5.252 4.903 1.810 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.563 4.897 3.013 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.690 3.886 1.553 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.757 2.950 1.589 1.00 0.80 H new ATOM 0 HD22 LEU A 37 5.143 1.867 1.322 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.983 1.522 2.627 1.00 0.80 H new ATOM 635 N THR A 38 4.416 2.131 6.837 1.00 0.34 N ATOM 636 CA THR A 38 3.740 2.975 7.814 1.00 0.36 C ATOM 637 C THR A 38 4.721 3.649 8.778 1.00 0.38 C ATOM 638 O THR A 38 4.404 4.668 9.388 1.00 0.44 O ATOM 639 CB THR A 38 2.696 2.161 8.612 1.00 0.41 C ATOM 640 OG1 THR A 38 1.808 3.043 9.311 1.00 0.48 O ATOM 641 CG2 THR A 38 3.367 1.219 9.601 1.00 0.48 C ATOM 0 H THR A 38 4.121 1.155 6.856 1.00 0.34 H new ATOM 0 HA THR A 38 3.234 3.761 7.253 1.00 0.36 H new ATOM 0 HB THR A 38 2.127 1.562 7.901 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.192 3.269 10.184 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.606 0.661 10.146 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.010 0.523 9.062 1.00 0.48 H new ATOM 0 HG23 THR A 38 3.967 1.797 10.304 1.00 0.48 H new ATOM 649 N LYS A 39 5.911 3.081 8.907 1.00 0.39 N ATOM 650 CA LYS A 39 6.925 3.637 9.790 1.00 0.47 C ATOM 651 C LYS A 39 8.003 4.359 8.994 1.00 0.47 C ATOM 652 O LYS A 39 8.930 4.929 9.562 1.00 0.59 O ATOM 653 CB LYS A 39 7.554 2.532 10.638 1.00 0.56 C ATOM 654 CG LYS A 39 6.877 2.338 11.987 1.00 0.75 C ATOM 655 CD LYS A 39 7.120 3.527 12.899 1.00 0.92 C ATOM 656 CE LYS A 39 6.433 3.353 14.241 1.00 1.27 C ATOM 657 NZ LYS A 39 6.574 4.567 15.083 1.00 1.50 N ATOM 0 H LYS A 39 6.198 2.236 8.412 1.00 0.39 H new ATOM 0 HA LYS A 39 6.441 4.359 10.448 1.00 0.47 H new ATOM 0 HB2 LYS A 39 7.516 1.594 10.084 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.607 2.764 10.799 1.00 0.56 H new ATOM 0 HG2 LYS A 39 5.805 2.200 11.843 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.254 1.431 12.459 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.192 3.655 13.052 1.00 0.92 H new ATOM 0 HD3 LYS A 39 6.756 4.435 12.418 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.376 3.137 14.085 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.860 2.496 14.762 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 6.094 4.416 15.993 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 7.582 4.758 15.251 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 6.145 5.379 14.596 1.00 1.50 H new ATOM 671 N PHE A 40 7.865 4.349 7.679 1.00 0.40 N ATOM 672 CA PHE A 40 8.837 4.989 6.803 1.00 0.44 C ATOM 673 C PHE A 40 8.237 6.225 6.140 1.00 0.40 C ATOM 674 O PHE A 40 8.891 6.883 5.335 1.00 0.42 O ATOM 675 CB PHE A 40 9.314 4.011 5.728 1.00 0.52 C ATOM 676 CG PHE A 40 9.946 2.756 6.267 1.00 1.16 C ATOM 677 CD1 PHE A 40 9.164 1.741 6.796 1.00 1.66 C ATOM 678 CD2 PHE A 40 11.320 2.583 6.228 1.00 1.77 C ATOM 679 CE1 PHE A 40 9.738 0.579 7.275 1.00 2.39 C ATOM 680 CE2 PHE A 40 11.900 1.425 6.709 1.00 2.45 C ATOM 681 CZ PHE A 40 11.110 0.422 7.232 1.00 2.68 C ATOM 0 H PHE A 40 7.087 3.904 7.191 1.00 0.40 H new ATOM 0 HA PHE A 40 9.688 5.294 7.412 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.465 3.736 5.102 1.00 0.52 H new ATOM 0 HB3 PHE A 40 10.033 4.519 5.085 1.00 0.52 H new ATOM 0 HD1 PHE A 40 8.091 1.860 6.834 1.00 1.66 H new ATOM 0 HD2 PHE A 40 11.945 3.362 5.817 1.00 1.77 H new ATOM 0 HE1 PHE A 40 9.116 -0.204 7.682 1.00 2.39 H new ATOM 0 HE2 PHE A 40 12.973 1.305 6.676 1.00 2.45 H new ATOM 0 HZ PHE A 40 11.563 -0.484 7.607 1.00 2.68 H new ATOM 691 N LEU A 41 6.994 6.539 6.495 1.00 0.39 N ATOM 692 CA LEU A 41 6.294 7.690 5.928 1.00 0.43 C ATOM 693 C LEU A 41 7.075 8.975 6.176 1.00 0.44 C ATOM 694 O LEU A 41 7.215 9.811 5.287 1.00 0.47 O ATOM 695 CB LEU A 41 4.893 7.819 6.535 1.00 0.49 C ATOM 696 CG LEU A 41 3.999 6.582 6.414 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.726 6.770 7.226 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.652 6.298 4.960 1.00 0.59 C ATOM 0 H LEU A 41 6.448 6.010 7.176 1.00 0.39 H new ATOM 0 HA LEU A 41 6.207 7.531 4.853 1.00 0.43 H new ATOM 0 HB2 LEU A 41 4.996 8.068 7.591 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.387 8.658 6.058 1.00 0.49 H new ATOM 0 HG LEU A 41 4.550 5.728 6.807 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.100 5.883 7.131 1.00 0.55 H new ATOM 0 HD12 LEU A 41 2.982 6.923 8.274 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.183 7.639 6.855 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.016 5.414 4.904 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.123 7.153 4.538 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.568 6.123 4.395 1.00 0.59 H new ATOM 710 N GLU A 42 7.597 9.110 7.389 1.00 0.49 N ATOM 711 CA GLU A 42 8.365 10.288 7.774 1.00 0.56 C ATOM 712 C GLU A 42 9.745 10.297 7.115 1.00 0.54 C ATOM 713 O GLU A 42 10.341 11.357 6.919 1.00 0.66 O ATOM 714 CB GLU A 42 8.518 10.330 9.293 1.00 0.67 C ATOM 715 CG GLU A 42 9.038 9.032 9.886 1.00 0.72 C ATOM 716 CD GLU A 42 9.271 9.131 11.377 1.00 0.93 C ATOM 717 OE1 GLU A 42 10.316 9.688 11.781 1.00 1.40 O ATOM 718 OE2 GLU A 42 8.414 8.652 12.152 1.00 1.50 O ATOM 0 H GLU A 42 7.501 8.413 8.128 1.00 0.49 H new ATOM 0 HA GLU A 42 7.823 11.170 7.433 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.197 11.140 9.559 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.552 10.564 9.741 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.325 8.233 9.685 1.00 0.72 H new ATOM 0 HG3 GLU A 42 9.971 8.759 9.393 1.00 0.72 H new ATOM 725 N GLU A 43 10.236 9.112 6.770 1.00 0.48 N ATOM 726 CA GLU A 43 11.548 8.966 6.145 1.00 0.50 C ATOM 727 C GLU A 43 11.485 9.268 4.650 1.00 0.43 C ATOM 728 O GLU A 43 12.515 9.459 4.003 1.00 0.54 O ATOM 729 CB GLU A 43 12.080 7.548 6.360 1.00 0.58 C ATOM 730 CG GLU A 43 12.174 7.142 7.818 1.00 0.76 C ATOM 731 CD GLU A 43 13.099 5.964 8.033 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.327 6.178 8.079 1.00 1.46 O ATOM 733 OE2 GLU A 43 12.608 4.823 8.156 1.00 1.56 O ATOM 0 H GLU A 43 9.742 8.231 6.914 1.00 0.48 H new ATOM 0 HA GLU A 43 12.222 9.683 6.613 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.432 6.844 5.838 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.068 7.468 5.906 1.00 0.58 H new ATOM 0 HG2 GLU A 43 12.527 7.989 8.406 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.179 6.891 8.187 1.00 0.76 H new ATOM 740 N HIS A 44 10.280 9.300 4.106 1.00 0.43 N ATOM 741 CA HIS A 44 10.092 9.572 2.687 1.00 0.39 C ATOM 742 C HIS A 44 10.372 11.042 2.366 1.00 0.43 C ATOM 743 O HIS A 44 9.853 11.939 3.033 1.00 0.51 O ATOM 744 CB HIS A 44 8.666 9.207 2.263 1.00 0.41 C ATOM 745 CG HIS A 44 8.456 9.226 0.781 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.813 10.241 0.103 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.824 8.320 -0.159 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.812 9.925 -1.199 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.415 8.770 -1.409 1.00 0.41 N ATOM 0 H HIS A 44 9.416 9.141 4.624 1.00 0.43 H new ATOM 0 HA HIS A 44 10.800 8.959 2.129 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.427 8.214 2.642 1.00 0.41 H new ATOM 0 HB3 HIS A 44 7.968 9.903 2.729 1.00 0.41 H new ATOM 0 HD2 HIS A 44 9.351 7.397 0.033 1.00 0.41 H new ATOM 0 HE1 HIS A 44 7.375 10.536 -1.975 1.00 0.40 H new ATOM 0 HE2 HIS A 44 8.553 8.303 -2.305 1.00 0.41 H new ATOM 757 N PRO A 45 11.217 11.306 1.354 1.00 0.44 N ATOM 758 CA PRO A 45 11.547 12.673 0.943 1.00 0.53 C ATOM 759 C PRO A 45 10.339 13.390 0.347 1.00 0.62 C ATOM 760 O PRO A 45 9.542 12.791 -0.375 1.00 1.11 O ATOM 761 CB PRO A 45 12.638 12.481 -0.118 1.00 0.58 C ATOM 762 CG PRO A 45 12.450 11.092 -0.621 1.00 0.56 C ATOM 763 CD PRO A 45 11.922 10.298 0.542 1.00 0.44 C ATOM 0 HA PRO A 45 11.867 13.289 1.783 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.537 13.209 -0.923 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.632 12.614 0.310 1.00 0.58 H new ATOM 0 HG2 PRO A 45 11.751 11.071 -1.457 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.391 10.677 -0.982 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.250 9.505 0.215 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.727 9.823 1.102 1.00 0.44 H new ATOM 771 N GLY A 46 10.194 14.665 0.664 1.00 0.75 N ATOM 772 CA GLY A 46 9.075 15.425 0.147 1.00 0.82 C ATOM 773 C GLY A 46 7.939 15.523 1.146 1.00 0.83 C ATOM 774 O GLY A 46 7.052 16.368 1.013 1.00 1.38 O ATOM 0 H GLY A 46 10.828 15.188 1.268 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.411 16.427 -0.119 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.712 14.957 -0.768 1.00 0.82 H new ATOM 778 N GLY A 47 7.959 14.652 2.143 1.00 0.66 N ATOM 779 CA GLY A 47 6.931 14.664 3.160 1.00 0.67 C ATOM 780 C GLY A 47 6.014 13.462 3.075 1.00 0.60 C ATOM 781 O GLY A 47 5.862 12.856 2.013 1.00 0.64 O ATOM 0 H GLY A 47 8.673 13.934 2.265 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.399 14.691 4.144 1.00 0.67 H new ATOM 0 HA3 GLY A 47 6.340 15.575 3.063 1.00 0.67 H new ATOM 785 N GLU A 48 5.394 13.128 4.198 1.00 0.61 N ATOM 786 CA GLU A 48 4.482 11.993 4.275 1.00 0.63 C ATOM 787 C GLU A 48 3.096 12.363 3.753 1.00 0.63 C ATOM 788 O GLU A 48 2.228 11.502 3.612 1.00 0.65 O ATOM 789 CB GLU A 48 4.370 11.512 5.724 1.00 0.76 C ATOM 790 CG GLU A 48 3.722 12.525 6.653 1.00 0.95 C ATOM 791 CD GLU A 48 4.271 12.456 8.061 1.00 1.21 C ATOM 792 OE1 GLU A 48 3.994 11.468 8.766 1.00 1.79 O ATOM 793 OE2 GLU A 48 4.981 13.397 8.471 1.00 1.86 O ATOM 0 H GLU A 48 5.507 13.632 5.077 1.00 0.61 H new ATOM 0 HA GLU A 48 4.884 11.194 3.651 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.792 10.588 5.748 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.366 11.274 6.097 1.00 0.76 H new ATOM 0 HG2 GLU A 48 3.876 13.528 6.255 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.646 12.354 6.678 1.00 0.95 H new ATOM 800 N GLU A 49 2.902 13.644 3.458 1.00 0.66 N ATOM 801 CA GLU A 49 1.619 14.149 2.977 1.00 0.74 C ATOM 802 C GLU A 49 1.126 13.380 1.752 1.00 0.68 C ATOM 803 O GLU A 49 -0.015 12.918 1.715 1.00 0.72 O ATOM 804 CB GLU A 49 1.733 15.633 2.633 1.00 0.86 C ATOM 805 CG GLU A 49 0.388 16.335 2.528 1.00 1.10 C ATOM 806 CD GLU A 49 -0.221 16.611 3.886 1.00 1.32 C ATOM 807 OE1 GLU A 49 -0.625 15.649 4.573 1.00 1.69 O ATOM 808 OE2 GLU A 49 -0.290 17.796 4.275 1.00 1.81 O ATOM 0 H GLU A 49 3.625 14.359 3.545 1.00 0.66 H new ATOM 0 HA GLU A 49 0.894 14.008 3.779 1.00 0.74 H new ATOM 0 HB2 GLU A 49 2.335 16.129 3.394 1.00 0.86 H new ATOM 0 HB3 GLU A 49 2.264 15.739 1.687 1.00 0.86 H new ATOM 0 HG2 GLU A 49 0.512 17.275 1.990 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.296 15.720 1.943 1.00 1.10 H new ATOM 815 N VAL A 50 2.004 13.217 0.767 1.00 0.63 N ATOM 816 CA VAL A 50 1.653 12.521 -0.468 1.00 0.60 C ATOM 817 C VAL A 50 1.399 11.031 -0.229 1.00 0.54 C ATOM 818 O VAL A 50 0.792 10.354 -1.052 1.00 0.54 O ATOM 819 CB VAL A 50 2.750 12.683 -1.539 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.838 14.131 -2.001 1.00 0.75 C ATOM 821 CG2 VAL A 50 4.097 12.199 -1.017 1.00 0.62 C ATOM 0 H VAL A 50 2.965 13.558 0.799 1.00 0.63 H new ATOM 0 HA VAL A 50 0.732 12.980 -0.828 1.00 0.60 H new ATOM 0 HB VAL A 50 2.481 12.066 -2.396 1.00 0.64 H new ATOM 0 HG11 VAL A 50 3.618 14.225 -2.757 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.882 14.436 -2.426 1.00 0.75 H new ATOM 0 HG13 VAL A 50 3.077 14.770 -1.151 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.854 12.324 -1.792 1.00 0.62 H new ATOM 0 HG22 VAL A 50 4.377 12.781 -0.139 1.00 0.62 H new ATOM 0 HG23 VAL A 50 4.025 11.145 -0.747 1.00 0.62 H new ATOM 831 N LEU A 51 1.851 10.531 0.910 1.00 0.52 N ATOM 832 CA LEU A 51 1.676 9.125 1.240 1.00 0.50 C ATOM 833 C LEU A 51 0.379 8.898 2.008 1.00 0.53 C ATOM 834 O LEU A 51 -0.373 7.970 1.712 1.00 0.55 O ATOM 835 CB LEU A 51 2.863 8.621 2.064 1.00 0.48 C ATOM 836 CG LEU A 51 4.235 8.774 1.400 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.323 8.222 2.304 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.263 8.073 0.049 1.00 0.47 C ATOM 0 H LEU A 51 2.341 11.076 1.620 1.00 0.52 H new ATOM 0 HA LEU A 51 1.624 8.566 0.306 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.877 9.154 3.014 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.704 7.567 2.292 1.00 0.48 H new ATOM 0 HG LEU A 51 4.420 9.836 1.238 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.292 8.338 1.819 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.322 8.766 3.248 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.136 7.165 2.495 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.247 8.195 -0.404 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.055 7.012 0.185 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.507 8.510 -0.603 1.00 0.47 H new ATOM 850 N ARG A 52 0.109 9.762 2.981 1.00 0.59 N ATOM 851 CA ARG A 52 -1.095 9.635 3.801 1.00 0.66 C ATOM 852 C ARG A 52 -2.359 9.925 2.993 1.00 0.65 C ATOM 853 O ARG A 52 -3.444 9.477 3.355 1.00 0.69 O ATOM 854 CB ARG A 52 -1.024 10.551 5.036 1.00 0.79 C ATOM 855 CG ARG A 52 -0.770 12.021 4.724 1.00 0.97 C ATOM 856 CD ARG A 52 -2.062 12.823 4.628 1.00 1.22 C ATOM 857 NE ARG A 52 -2.832 12.785 5.871 1.00 1.50 N ATOM 858 CZ ARG A 52 -3.048 13.842 6.655 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.516 15.023 6.361 1.00 2.00 N ATOM 860 NH2 ARG A 52 -3.790 13.709 7.747 1.00 2.61 N ATOM 0 H ARG A 52 0.703 10.555 3.222 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.145 8.601 4.142 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -1.960 10.467 5.588 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.233 10.191 5.694 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.135 12.450 5.499 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.224 12.102 3.784 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -1.827 13.858 4.380 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.671 12.431 3.814 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.230 11.891 6.157 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -1.936 15.128 5.529 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -2.688 15.825 6.968 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -4.192 12.802 7.983 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -3.958 14.514 8.350 1.00 2.61 H new ATOM 874 N GLU A 53 -2.220 10.661 1.897 1.00 0.64 N ATOM 875 CA GLU A 53 -3.370 10.999 1.067 1.00 0.68 C ATOM 876 C GLU A 53 -3.715 9.866 0.100 1.00 0.65 C ATOM 877 O GLU A 53 -4.778 9.873 -0.523 1.00 0.78 O ATOM 878 CB GLU A 53 -3.112 12.290 0.292 1.00 0.72 C ATOM 879 CG GLU A 53 -2.096 12.142 -0.823 1.00 0.67 C ATOM 880 CD GLU A 53 -2.164 13.276 -1.822 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.285 13.629 -2.248 1.00 1.35 O ATOM 882 OE2 GLU A 53 -1.102 13.817 -2.187 1.00 1.26 O ATOM 0 H GLU A 53 -1.330 11.033 1.564 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.222 11.148 1.731 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.053 12.643 -0.131 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -2.767 13.056 0.986 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.095 12.099 -0.395 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.263 11.197 -1.339 1.00 0.67 H new ATOM 889 N GLN A 54 -2.813 8.901 -0.031 1.00 0.57 N ATOM 890 CA GLN A 54 -3.031 7.757 -0.917 1.00 0.58 C ATOM 891 C GLN A 54 -3.073 6.469 -0.105 1.00 0.57 C ATOM 892 O GLN A 54 -2.975 5.367 -0.650 1.00 0.60 O ATOM 893 CB GLN A 54 -1.924 7.677 -1.976 1.00 0.57 C ATOM 894 CG GLN A 54 -1.891 8.865 -2.927 1.00 0.64 C ATOM 895 CD GLN A 54 -3.079 8.902 -3.869 1.00 0.81 C ATOM 896 OE1 GLN A 54 -3.006 8.426 -5.001 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.186 9.461 -3.407 1.00 0.96 N ATOM 0 H GLN A 54 -1.922 8.885 0.464 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.986 7.888 -1.425 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.960 7.600 -1.474 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -2.055 6.764 -2.556 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.865 9.787 -2.347 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.972 8.830 -3.511 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.208 9.845 -2.462 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -5.018 9.508 -3.996 1.00 0.96 H new ATOM 906 N ALA A 55 -3.227 6.621 1.202 1.00 0.58 N ATOM 907 CA ALA A 55 -3.272 5.491 2.116 1.00 0.60 C ATOM 908 C ALA A 55 -4.510 4.629 1.886 1.00 0.61 C ATOM 909 O ALA A 55 -5.644 5.110 1.979 1.00 0.68 O ATOM 910 CB ALA A 55 -3.238 5.984 3.552 1.00 0.65 C ATOM 0 H ALA A 55 -3.324 7.529 1.657 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.396 4.871 1.924 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -3.272 5.131 4.230 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.320 6.546 3.722 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -4.098 6.628 3.736 1.00 0.65 H new ATOM 916 N GLY A 56 -4.285 3.354 1.589 1.00 0.59 N ATOM 917 CA GLY A 56 -5.383 2.436 1.360 1.00 0.64 C ATOM 918 C GLY A 56 -5.809 2.380 -0.094 1.00 0.62 C ATOM 919 O GLY A 56 -6.843 1.796 -0.418 1.00 0.66 O ATOM 0 H GLY A 56 -3.357 2.939 1.503 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.090 1.438 1.687 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.234 2.735 1.972 1.00 0.64 H new ATOM 923 N GLY A 57 -5.018 2.982 -0.970 1.00 0.63 N ATOM 924 CA GLY A 57 -5.344 2.978 -2.383 1.00 0.65 C ATOM 925 C GLY A 57 -4.123 2.792 -3.258 1.00 0.59 C ATOM 926 O GLY A 57 -2.991 2.839 -2.771 1.00 0.55 O ATOM 0 H GLY A 57 -4.157 3.473 -0.729 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.058 2.179 -2.586 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.834 3.917 -2.642 1.00 0.65 H new ATOM 930 N ASP A 58 -4.348 2.568 -4.546 1.00 0.65 N ATOM 931 CA ASP A 58 -3.254 2.385 -5.487 1.00 0.62 C ATOM 932 C ASP A 58 -2.690 3.734 -5.907 1.00 0.61 C ATOM 933 O ASP A 58 -3.409 4.585 -6.439 1.00 0.71 O ATOM 934 CB ASP A 58 -3.722 1.595 -6.708 1.00 0.69 C ATOM 935 CG ASP A 58 -2.579 1.264 -7.650 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.121 2.171 -8.375 1.00 1.51 O ATOM 937 OD2 ASP A 58 -2.125 0.101 -7.661 1.00 1.32 O ATOM 0 H ASP A 58 -5.278 2.509 -4.961 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.465 1.816 -4.995 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.199 0.671 -6.380 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.477 2.171 -7.244 1.00 0.69 H new ATOM 942 N ALA A 59 -1.404 3.923 -5.659 1.00 0.55 N ATOM 943 CA ALA A 59 -0.735 5.168 -5.991 1.00 0.57 C ATOM 944 C ALA A 59 0.267 4.977 -7.127 1.00 0.54 C ATOM 945 O ALA A 59 1.186 5.784 -7.293 1.00 0.54 O ATOM 946 CB ALA A 59 -0.040 5.735 -4.760 1.00 0.60 C ATOM 0 H ALA A 59 -0.800 3.224 -5.226 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.491 5.876 -6.331 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.458 6.669 -5.021 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.778 5.923 -3.980 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.698 5.019 -4.397 1.00 0.60 H new ATOM 952 N THR A 60 0.088 3.923 -7.916 1.00 0.56 N ATOM 953 CA THR A 60 0.982 3.645 -9.035 1.00 0.57 C ATOM 954 C THR A 60 0.986 4.807 -10.019 1.00 0.57 C ATOM 955 O THR A 60 2.015 5.131 -10.614 1.00 0.58 O ATOM 956 CB THR A 60 0.566 2.361 -9.770 1.00 0.64 C ATOM 957 OG1 THR A 60 0.317 1.323 -8.820 1.00 0.67 O ATOM 958 CG2 THR A 60 1.645 1.918 -10.746 1.00 0.71 C ATOM 0 H THR A 60 -0.667 3.247 -7.802 1.00 0.56 H new ATOM 0 HA THR A 60 1.984 3.510 -8.628 1.00 0.57 H new ATOM 0 HB THR A 60 -0.343 2.567 -10.335 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.460 0.798 -9.105 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.326 1.007 -11.253 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.814 2.703 -11.483 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.570 1.725 -10.203 1.00 0.71 H new ATOM 966 N GLU A 61 -0.170 5.445 -10.146 1.00 0.62 N ATOM 967 CA GLU A 61 -0.348 6.578 -11.045 1.00 0.67 C ATOM 968 C GLU A 61 0.593 7.729 -10.691 1.00 0.63 C ATOM 969 O GLU A 61 0.934 8.546 -11.544 1.00 0.74 O ATOM 970 CB GLU A 61 -1.801 7.050 -10.996 1.00 0.78 C ATOM 971 CG GLU A 61 -2.349 7.183 -9.583 1.00 0.83 C ATOM 972 CD GLU A 61 -3.649 7.951 -9.533 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.719 7.334 -9.708 1.00 1.48 O ATOM 974 OE2 GLU A 61 -3.604 9.179 -9.316 1.00 1.64 O ATOM 0 H GLU A 61 -1.011 5.192 -9.628 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.104 6.251 -12.056 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.879 8.014 -11.499 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.422 6.348 -11.553 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.502 6.189 -9.162 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.611 7.684 -8.957 1.00 0.83 H new ATOM 981 N ASN A 62 1.013 7.792 -9.435 1.00 0.56 N ATOM 982 CA ASN A 62 1.918 8.844 -8.991 1.00 0.55 C ATOM 983 C ASN A 62 3.352 8.325 -8.980 1.00 0.50 C ATOM 984 O ASN A 62 4.289 9.042 -9.331 1.00 0.50 O ATOM 985 CB ASN A 62 1.530 9.334 -7.595 1.00 0.58 C ATOM 986 CG ASN A 62 1.862 10.799 -7.370 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.998 11.153 -7.061 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.865 11.659 -7.517 1.00 1.32 N ATOM 0 H ASN A 62 0.743 7.130 -8.708 1.00 0.56 H new ATOM 0 HA ASN A 62 1.844 9.681 -9.685 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.461 9.182 -7.446 1.00 0.58 H new ATOM 0 HB3 ASN A 62 2.045 8.731 -6.847 1.00 0.58 H new ATOM 0 HD21 ASN A 62 1.026 12.656 -7.373 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.063 11.324 -7.774 1.00 1.32 H new ATOM 995 N PHE A 63 3.497 7.054 -8.611 1.00 0.48 N ATOM 996 CA PHE A 63 4.802 6.398 -8.540 1.00 0.46 C ATOM 997 C PHE A 63 5.534 6.478 -9.881 1.00 0.49 C ATOM 998 O PHE A 63 6.720 6.821 -9.937 1.00 0.50 O ATOM 999 CB PHE A 63 4.616 4.933 -8.132 1.00 0.48 C ATOM 1000 CG PHE A 63 5.881 4.239 -7.701 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.295 4.283 -6.378 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.647 3.530 -8.616 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.450 3.636 -5.977 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.802 2.880 -8.219 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.204 2.934 -6.897 1.00 0.73 C ATOM 0 H PHE A 63 2.716 6.451 -8.353 1.00 0.48 H new ATOM 0 HA PHE A 63 5.408 6.913 -7.795 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.894 4.885 -7.316 1.00 0.48 H new ATOM 0 HB3 PHE A 63 4.185 4.387 -8.971 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.709 4.828 -5.653 1.00 0.63 H new ATOM 0 HD2 PHE A 63 6.338 3.485 -9.650 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.762 3.680 -4.944 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.389 2.331 -8.941 1.00 0.77 H new ATOM 0 HZ PHE A 63 9.106 2.428 -6.585 1.00 0.73 H new ATOM 1015 N GLU A 64 4.812 6.173 -10.956 1.00 0.53 N ATOM 1016 CA GLU A 64 5.380 6.205 -12.300 1.00 0.58 C ATOM 1017 C GLU A 64 5.435 7.633 -12.837 1.00 0.57 C ATOM 1018 O GLU A 64 6.279 7.957 -13.671 1.00 0.65 O ATOM 1019 CB GLU A 64 4.559 5.329 -13.252 1.00 0.69 C ATOM 1020 CG GLU A 64 3.110 5.773 -13.392 1.00 1.08 C ATOM 1021 CD GLU A 64 2.364 5.028 -14.477 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.578 3.807 -14.629 1.00 1.88 O ATOM 1023 OE2 GLU A 64 1.546 5.662 -15.177 1.00 1.89 O ATOM 0 H GLU A 64 3.830 5.900 -10.922 1.00 0.53 H new ATOM 0 HA GLU A 64 6.396 5.814 -12.240 1.00 0.58 H new ATOM 0 HB2 GLU A 64 5.029 5.336 -14.235 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.582 4.299 -12.895 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.598 5.627 -12.441 1.00 1.08 H new ATOM 0 HG3 GLU A 64 3.083 6.841 -13.608 1.00 1.08 H new ATOM 1030 N ASP A 65 4.532 8.480 -12.355 1.00 0.54 N ATOM 1031 CA ASP A 65 4.466 9.872 -12.796 1.00 0.55 C ATOM 1032 C ASP A 65 5.729 10.627 -12.409 1.00 0.53 C ATOM 1033 O ASP A 65 6.317 11.333 -13.225 1.00 0.58 O ATOM 1034 CB ASP A 65 3.246 10.567 -12.196 1.00 0.57 C ATOM 1035 CG ASP A 65 3.013 11.940 -12.792 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.613 12.019 -13.974 1.00 0.88 O ATOM 1037 OD2 ASP A 65 3.212 12.947 -12.077 1.00 0.79 O ATOM 0 H ASP A 65 3.833 8.228 -11.657 1.00 0.54 H new ATOM 0 HA ASP A 65 4.379 9.873 -13.882 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.363 9.949 -12.358 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.377 10.659 -11.118 1.00 0.57 H new ATOM 1042 N VAL A 66 6.133 10.478 -11.159 1.00 0.50 N ATOM 1043 CA VAL A 66 7.332 11.138 -10.663 1.00 0.52 C ATOM 1044 C VAL A 66 8.590 10.457 -11.199 1.00 0.50 C ATOM 1045 O VAL A 66 9.534 11.117 -11.633 1.00 0.55 O ATOM 1046 CB VAL A 66 7.375 11.136 -9.120 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.644 11.805 -8.610 1.00 0.67 C ATOM 1048 CG2 VAL A 66 6.144 11.829 -8.553 1.00 0.60 C ATOM 0 H VAL A 66 5.649 9.906 -10.467 1.00 0.50 H new ATOM 0 HA VAL A 66 7.300 12.169 -11.016 1.00 0.52 H new ATOM 0 HB VAL A 66 7.379 10.100 -8.782 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.650 11.791 -7.520 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.515 11.267 -8.985 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.677 12.837 -8.959 1.00 0.67 H new ATOM 0 HG21 VAL A 66 6.190 11.819 -7.464 1.00 0.60 H new ATOM 0 HG22 VAL A 66 6.112 12.860 -8.905 1.00 0.60 H new ATOM 0 HG23 VAL A 66 5.247 11.305 -8.883 1.00 0.60 H new ATOM 1058 N GLY A 67 8.587 9.134 -11.179 1.00 0.50 N ATOM 1059 CA GLY A 67 9.737 8.388 -11.639 1.00 0.54 C ATOM 1060 C GLY A 67 10.657 8.047 -10.488 1.00 0.54 C ATOM 1061 O GLY A 67 11.103 8.935 -9.759 1.00 0.82 O ATOM 0 H GLY A 67 7.808 8.563 -10.852 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.408 7.472 -12.130 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.280 8.971 -12.383 1.00 0.54 H new ATOM 1065 N HIS A 68 10.939 6.769 -10.311 1.00 0.45 N ATOM 1066 CA HIS A 68 11.791 6.335 -9.219 1.00 0.42 C ATOM 1067 C HIS A 68 13.070 5.693 -9.738 1.00 0.47 C ATOM 1068 O HIS A 68 13.082 5.067 -10.802 1.00 0.58 O ATOM 1069 CB HIS A 68 11.030 5.370 -8.306 1.00 0.39 C ATOM 1070 CG HIS A 68 10.093 6.063 -7.363 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.877 6.597 -7.737 1.00 0.35 N ATOM 1072 CD2 HIS A 68 10.219 6.322 -6.038 1.00 0.41 C ATOM 1073 CE1 HIS A 68 8.320 7.153 -6.654 1.00 0.35 C ATOM 1074 NE2 HIS A 68 9.093 7.014 -5.597 1.00 0.40 N ATOM 0 H HIS A 68 10.592 6.017 -10.906 1.00 0.45 H new ATOM 0 HA HIS A 68 12.075 7.213 -8.639 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.464 4.669 -8.920 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.746 4.784 -7.731 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.474 6.572 -8.674 1.00 0.35 H new ATOM 0 HD2 HIS A 68 11.059 6.037 -5.422 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.362 7.651 -6.648 1.00 0.35 H new ATOM 1082 N SER A 69 14.141 5.863 -8.975 1.00 0.45 N ATOM 1083 CA SER A 69 15.450 5.328 -9.317 1.00 0.50 C ATOM 1084 C SER A 69 15.444 3.798 -9.324 1.00 0.50 C ATOM 1085 O SER A 69 14.553 3.166 -8.746 1.00 0.46 O ATOM 1086 CB SER A 69 16.460 5.859 -8.303 1.00 0.55 C ATOM 1087 OG SER A 69 15.781 6.486 -7.221 1.00 1.01 O ATOM 0 H SER A 69 14.125 6.380 -8.096 1.00 0.45 H new ATOM 0 HA SER A 69 15.722 5.648 -10.323 1.00 0.50 H new ATOM 0 HB2 SER A 69 17.078 5.042 -7.931 1.00 0.55 H new ATOM 0 HB3 SER A 69 17.130 6.571 -8.784 1.00 0.55 H new ATOM 0 HG SER A 69 16.436 6.822 -6.574 1.00 1.01 H new ATOM 1093 N THR A 70 16.447 3.211 -9.970 1.00 0.59 N ATOM 1094 CA THR A 70 16.567 1.763 -10.076 1.00 0.64 C ATOM 1095 C THR A 70 16.616 1.097 -8.703 1.00 0.61 C ATOM 1096 O THR A 70 15.950 0.094 -8.468 1.00 0.66 O ATOM 1097 CB THR A 70 17.838 1.384 -10.853 1.00 0.78 C ATOM 1098 OG1 THR A 70 18.344 2.536 -11.536 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.553 0.278 -11.853 1.00 1.08 C ATOM 0 H THR A 70 17.197 3.725 -10.433 1.00 0.59 H new ATOM 0 HA THR A 70 15.683 1.409 -10.607 1.00 0.64 H new ATOM 0 HB THR A 70 18.582 1.021 -10.144 1.00 0.78 H new ATOM 0 HG1 THR A 70 19.155 2.294 -12.030 1.00 0.89 H new ATOM 0 HG21 THR A 70 18.468 0.028 -12.390 1.00 1.08 H new ATOM 0 HG22 THR A 70 17.189 -0.604 -11.326 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.797 0.615 -12.562 1.00 1.08 H new ATOM 1107 N ASP A 71 17.397 1.668 -7.797 1.00 0.60 N ATOM 1108 CA ASP A 71 17.536 1.114 -6.455 1.00 0.61 C ATOM 1109 C ASP A 71 16.309 1.414 -5.601 1.00 0.54 C ATOM 1110 O ASP A 71 15.945 0.632 -4.722 1.00 0.56 O ATOM 1111 CB ASP A 71 18.792 1.663 -5.777 1.00 0.70 C ATOM 1112 CG ASP A 71 19.060 1.002 -4.440 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.408 -0.200 -4.422 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.921 1.680 -3.401 1.00 1.29 O ATOM 0 H ASP A 71 17.944 2.513 -7.965 1.00 0.60 H new ATOM 0 HA ASP A 71 17.627 0.032 -6.551 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.650 1.514 -6.432 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.684 2.738 -5.633 1.00 0.70 H new ATOM 1119 N ALA A 72 15.648 2.531 -5.884 1.00 0.48 N ATOM 1120 CA ALA A 72 14.464 2.928 -5.130 1.00 0.44 C ATOM 1121 C ALA A 72 13.341 1.909 -5.282 1.00 0.42 C ATOM 1122 O ALA A 72 12.628 1.608 -4.325 1.00 0.43 O ATOM 1123 CB ALA A 72 13.987 4.297 -5.577 1.00 0.47 C ATOM 0 H ALA A 72 15.911 3.177 -6.629 1.00 0.48 H new ATOM 0 HA ALA A 72 14.741 2.972 -4.077 1.00 0.44 H new ATOM 0 HB1 ALA A 72 13.103 4.579 -5.005 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.776 5.030 -5.410 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.738 4.267 -6.638 1.00 0.47 H new ATOM 1129 N ARG A 73 13.197 1.368 -6.489 1.00 0.44 N ATOM 1130 CA ARG A 73 12.158 0.377 -6.767 1.00 0.48 C ATOM 1131 C ARG A 73 12.585 -1.006 -6.279 1.00 0.49 C ATOM 1132 O ARG A 73 11.790 -1.947 -6.258 1.00 0.56 O ATOM 1133 CB ARG A 73 11.819 0.348 -8.267 1.00 0.54 C ATOM 1134 CG ARG A 73 12.988 -0.018 -9.168 1.00 0.68 C ATOM 1135 CD ARG A 73 12.996 -1.500 -9.510 1.00 0.74 C ATOM 1136 NE ARG A 73 11.840 -1.883 -10.314 1.00 0.90 N ATOM 1137 CZ ARG A 73 11.649 -3.099 -10.818 1.00 1.08 C ATOM 1138 NH1 ARG A 73 12.521 -4.074 -10.570 1.00 1.08 N ATOM 1139 NH2 ARG A 73 10.579 -3.339 -11.562 1.00 1.36 N ATOM 0 H ARG A 73 13.785 1.598 -7.290 1.00 0.44 H new ATOM 0 HA ARG A 73 11.259 0.665 -6.223 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.012 -0.366 -8.431 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.442 1.328 -8.561 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.936 0.567 -10.086 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.923 0.246 -8.675 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.910 -1.742 -10.052 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.007 -2.084 -8.590 1.00 0.74 H new ATOM 0 HE ARG A 73 11.133 -1.172 -10.502 1.00 0.90 H new ATOM 0 HH11 ARG A 73 13.340 -3.890 -9.991 1.00 1.08 H new ATOM 0 HH12 ARG A 73 12.370 -5.005 -10.959 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.908 -2.593 -11.745 1.00 1.36 H new ATOM 0 HH22 ARG A 73 10.427 -4.269 -11.951 1.00 1.36 H new ATOM 1153 N GLU A 74 13.850 -1.129 -5.896 1.00 0.47 N ATOM 1154 CA GLU A 74 14.371 -2.391 -5.394 1.00 0.51 C ATOM 1155 C GLU A 74 14.285 -2.430 -3.874 1.00 0.49 C ATOM 1156 O GLU A 74 14.119 -3.493 -3.277 1.00 0.55 O ATOM 1157 CB GLU A 74 15.817 -2.600 -5.842 1.00 0.57 C ATOM 1158 CG GLU A 74 15.962 -2.895 -7.327 1.00 0.65 C ATOM 1159 CD GLU A 74 15.116 -4.070 -7.778 1.00 0.75 C ATOM 1160 OE1 GLU A 74 14.871 -4.978 -6.959 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.693 -4.088 -8.957 1.00 0.84 O ATOM 0 H GLU A 74 14.532 -0.371 -5.924 1.00 0.47 H new ATOM 0 HA GLU A 74 13.763 -3.197 -5.805 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.395 -1.708 -5.600 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.248 -3.424 -5.273 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.680 -2.010 -7.898 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.009 -3.099 -7.552 1.00 0.65 H new ATOM 1168 N LEU A 75 14.395 -1.258 -3.257 1.00 0.47 N ATOM 1169 CA LEU A 75 14.320 -1.138 -1.806 1.00 0.48 C ATOM 1170 C LEU A 75 12.894 -1.390 -1.326 1.00 0.43 C ATOM 1171 O LEU A 75 12.669 -1.850 -0.206 1.00 0.44 O ATOM 1172 CB LEU A 75 14.780 0.258 -1.374 1.00 0.53 C ATOM 1173 CG LEU A 75 14.719 0.536 0.131 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.742 -0.308 0.879 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.936 2.016 0.416 1.00 0.61 C ATOM 0 H LEU A 75 14.537 -0.373 -3.743 1.00 0.47 H new ATOM 0 HA LEU A 75 14.976 -1.884 -1.358 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.806 0.404 -1.711 1.00 0.53 H new ATOM 0 HB3 LEU A 75 14.167 0.999 -1.888 1.00 0.53 H new ATOM 0 HG LEU A 75 13.725 0.261 0.485 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.680 -0.094 1.946 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.536 -1.365 0.709 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.743 -0.071 0.519 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.889 2.190 1.491 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.914 2.319 0.042 1.00 0.61 H new ATOM 0 HD23 LEU A 75 14.161 2.600 -0.081 1.00 0.61 H new ATOM 1187 N SER A 76 11.929 -1.116 -2.193 1.00 0.45 N ATOM 1188 CA SER A 76 10.526 -1.308 -1.861 1.00 0.46 C ATOM 1189 C SER A 76 10.175 -2.793 -1.746 1.00 0.43 C ATOM 1190 O SER A 76 9.092 -3.149 -1.277 1.00 0.45 O ATOM 1191 CB SER A 76 9.654 -0.641 -2.922 1.00 0.55 C ATOM 1192 OG SER A 76 10.458 -0.081 -3.947 1.00 0.82 O ATOM 0 H SER A 76 12.094 -0.759 -3.134 1.00 0.45 H new ATOM 0 HA SER A 76 10.338 -0.849 -0.891 1.00 0.46 H new ATOM 0 HB2 SER A 76 8.968 -1.372 -3.349 1.00 0.55 H new ATOM 0 HB3 SER A 76 9.045 0.138 -2.463 1.00 0.55 H new ATOM 0 HG SER A 76 9.902 0.475 -4.532 1.00 0.82 H new ATOM 1198 N LYS A 77 11.101 -3.656 -2.153 1.00 0.45 N ATOM 1199 CA LYS A 77 10.884 -5.095 -2.096 1.00 0.51 C ATOM 1200 C LYS A 77 10.819 -5.589 -0.651 1.00 0.47 C ATOM 1201 O LYS A 77 10.347 -6.692 -0.384 1.00 0.56 O ATOM 1202 CB LYS A 77 11.988 -5.834 -2.853 1.00 0.63 C ATOM 1203 CG LYS A 77 11.637 -7.279 -3.159 1.00 0.94 C ATOM 1204 CD LYS A 77 12.806 -8.024 -3.781 1.00 1.20 C ATOM 1205 CE LYS A 77 12.475 -9.489 -4.008 1.00 1.60 C ATOM 1206 NZ LYS A 77 13.580 -10.206 -4.699 1.00 1.89 N ATOM 0 H LYS A 77 12.010 -3.382 -2.526 1.00 0.45 H new ATOM 0 HA LYS A 77 9.926 -5.305 -2.571 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.193 -5.311 -3.787 1.00 0.63 H new ATOM 0 HB3 LYS A 77 12.905 -5.806 -2.264 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.333 -7.781 -2.241 1.00 0.94 H new ATOM 0 HG3 LYS A 77 10.784 -7.310 -3.837 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.072 -7.559 -4.730 1.00 1.20 H new ATOM 0 HD3 LYS A 77 13.677 -7.943 -3.131 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.274 -9.969 -3.050 1.00 1.60 H new ATOM 0 HE3 LYS A 77 11.564 -9.568 -4.601 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 13.315 -11.203 -4.835 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 13.755 -9.765 -5.624 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 14.443 -10.153 -4.121 1.00 1.89 H new ATOM 1220 N THR A 78 11.300 -4.784 0.285 1.00 0.42 N ATOM 1221 CA THR A 78 11.260 -5.172 1.685 1.00 0.48 C ATOM 1222 C THR A 78 10.004 -4.619 2.357 1.00 0.43 C ATOM 1223 O THR A 78 9.788 -4.826 3.549 1.00 0.53 O ATOM 1224 CB THR A 78 12.517 -4.712 2.458 1.00 0.59 C ATOM 1225 OG1 THR A 78 12.562 -5.362 3.737 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.531 -3.201 2.652 1.00 0.63 C ATOM 0 H THR A 78 11.717 -3.871 0.104 1.00 0.42 H new ATOM 0 HA THR A 78 11.238 -6.261 1.713 1.00 0.48 H new ATOM 0 HB THR A 78 13.393 -4.986 1.870 1.00 0.59 H new ATOM 0 HG1 THR A 78 11.661 -5.392 4.121 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.429 -2.913 3.199 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.525 -2.709 1.679 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.649 -2.898 3.217 1.00 0.63 H new ATOM 1234 N PHE A 79 9.179 -3.920 1.584 1.00 0.36 N ATOM 1235 CA PHE A 79 7.950 -3.350 2.113 1.00 0.38 C ATOM 1236 C PHE A 79 6.753 -4.193 1.698 1.00 0.32 C ATOM 1237 O PHE A 79 5.725 -4.200 2.373 1.00 0.33 O ATOM 1238 CB PHE A 79 7.765 -1.910 1.628 1.00 0.46 C ATOM 1239 CG PHE A 79 8.845 -0.967 2.078 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.413 -1.080 3.339 1.00 0.96 C ATOM 1241 CD2 PHE A 79 9.290 0.041 1.239 1.00 1.10 C ATOM 1242 CE1 PHE A 79 10.403 -0.210 3.750 1.00 1.01 C ATOM 1243 CE2 PHE A 79 10.280 0.914 1.645 1.00 1.16 C ATOM 1244 CZ PHE A 79 10.836 0.790 2.902 1.00 0.70 C ATOM 0 H PHE A 79 9.340 -3.736 0.594 1.00 0.36 H new ATOM 0 HA PHE A 79 8.021 -3.344 3.201 1.00 0.38 H new ATOM 0 HB2 PHE A 79 7.726 -1.907 0.539 1.00 0.46 H new ATOM 0 HB3 PHE A 79 6.803 -1.539 1.982 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.076 -1.859 4.008 1.00 0.96 H new ATOM 0 HD2 PHE A 79 8.857 0.146 0.255 1.00 1.10 H new ATOM 0 HE1 PHE A 79 10.838 -0.311 4.733 1.00 1.01 H new ATOM 0 HE2 PHE A 79 10.619 1.694 0.979 1.00 1.16 H new ATOM 0 HZ PHE A 79 11.608 1.474 3.222 1.00 0.70 H new ATOM 1254 N ILE A 80 6.888 -4.901 0.583 1.00 0.38 N ATOM 1255 CA ILE A 80 5.811 -5.744 0.088 1.00 0.36 C ATOM 1256 C ILE A 80 5.645 -6.976 0.976 1.00 0.33 C ATOM 1257 O ILE A 80 6.535 -7.821 1.072 1.00 0.42 O ATOM 1258 CB ILE A 80 6.026 -6.175 -1.388 1.00 0.46 C ATOM 1259 CG1 ILE A 80 4.983 -7.221 -1.798 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.436 -6.702 -1.606 1.00 0.58 C ATOM 1261 CD1 ILE A 80 5.106 -7.673 -3.238 1.00 0.72 C ATOM 0 H ILE A 80 7.730 -4.907 0.008 1.00 0.38 H new ATOM 0 HA ILE A 80 4.900 -5.147 0.122 1.00 0.36 H new ATOM 0 HB ILE A 80 5.899 -5.296 -2.020 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.076 -8.089 -1.145 1.00 0.46 H new ATOM 0 HG13 ILE A 80 3.986 -6.809 -1.640 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.557 -6.996 -2.649 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.158 -5.922 -1.363 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.605 -7.566 -0.963 1.00 0.58 H new ATOM 0 HD11 ILE A 80 4.335 -8.413 -3.454 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.983 -6.816 -3.900 1.00 0.72 H new ATOM 0 HD13 ILE A 80 6.089 -8.116 -3.398 1.00 0.72 H new ATOM 1273 N ILE A 81 4.509 -7.050 1.647 1.00 0.28 N ATOM 1274 CA ILE A 81 4.221 -8.174 2.523 1.00 0.32 C ATOM 1275 C ILE A 81 3.150 -9.065 1.904 1.00 0.29 C ATOM 1276 O ILE A 81 2.777 -10.097 2.465 1.00 0.31 O ATOM 1277 CB ILE A 81 3.769 -7.722 3.936 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.431 -6.962 3.878 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.852 -6.877 4.602 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.555 -5.479 3.581 1.00 0.77 C ATOM 0 H ILE A 81 3.771 -6.347 1.603 1.00 0.28 H new ATOM 0 HA ILE A 81 5.149 -8.734 2.637 1.00 0.32 H new ATOM 0 HB ILE A 81 3.613 -8.615 4.542 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.802 -7.420 3.115 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.917 -7.086 4.831 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.516 -6.570 5.592 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.766 -7.464 4.695 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.049 -5.993 3.995 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.563 -5.028 3.560 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.154 -5.002 4.356 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.037 -5.341 2.613 1.00 0.77 H new ATOM 1292 N GLY A 82 2.659 -8.664 0.739 1.00 0.32 N ATOM 1293 CA GLY A 82 1.647 -9.443 0.073 1.00 0.35 C ATOM 1294 C GLY A 82 0.984 -8.701 -1.066 1.00 0.31 C ATOM 1295 O GLY A 82 1.396 -7.597 -1.431 1.00 0.34 O ATOM 0 H GLY A 82 2.945 -7.816 0.249 1.00 0.32 H new ATOM 0 HA2 GLY A 82 2.095 -10.360 -0.310 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.888 -9.738 0.798 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.052 -9.310 -1.615 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.795 -8.737 -2.725 1.00 0.31 C ATOM 1301 C GLU A 83 -2.291 -8.854 -2.459 1.00 0.32 C ATOM 1302 O GLU A 83 -2.701 -9.317 -1.396 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.441 -9.449 -4.033 1.00 0.37 C ATOM 1304 CG GLU A 83 0.949 -9.119 -4.557 1.00 0.61 C ATOM 1305 CD GLU A 83 1.255 -9.802 -5.876 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.322 -9.989 -6.687 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.433 -10.159 -6.111 1.00 0.86 O ATOM 0 H GLU A 83 -0.403 -10.216 -1.304 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.526 -7.685 -2.819 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.515 -10.526 -3.881 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.177 -9.183 -4.791 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.039 -8.040 -4.682 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.692 -9.417 -3.817 1.00 0.61 H new ATOM 1314 N LEU A 84 -3.098 -8.449 -3.427 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.547 -8.510 -3.286 1.00 0.44 C ATOM 1316 C LEU A 84 -5.091 -9.798 -3.891 1.00 0.40 C ATOM 1317 O LEU A 84 -4.396 -10.481 -4.649 1.00 0.39 O ATOM 1318 CB LEU A 84 -5.213 -7.306 -3.969 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.124 -5.968 -3.223 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -5.449 -6.148 -1.750 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.749 -5.338 -3.399 1.00 0.87 C ATOM 0 H LEU A 84 -2.776 -8.074 -4.319 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.778 -8.488 -2.221 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.764 -7.179 -4.954 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -6.266 -7.541 -4.127 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.863 -5.293 -3.654 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -5.379 -5.186 -1.242 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.460 -6.541 -1.646 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -4.741 -6.846 -1.304 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -3.711 -4.391 -2.861 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -2.987 -6.010 -3.004 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.563 -5.161 -4.458 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.331 -10.125 -3.555 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.974 -11.325 -4.081 1.00 0.48 C ATOM 1335 C HIS A 85 -7.238 -11.169 -5.573 1.00 0.42 C ATOM 1336 O HIS A 85 -7.388 -10.048 -6.063 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.305 -11.593 -3.370 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.177 -11.882 -1.908 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.010 -11.329 -0.966 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.320 -12.683 -1.231 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.676 -11.777 0.230 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.653 -12.598 0.097 1.00 1.10 N ATOM 0 H HIS A 85 -6.913 -9.578 -2.921 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.301 -12.164 -3.907 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.954 -10.727 -3.501 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.798 -12.437 -3.853 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -6.524 -13.277 -1.656 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.159 -11.515 1.160 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -7.185 -13.090 0.858 1.00 1.10 H new ATOM 1351 N PRO A 86 -7.281 -12.280 -6.328 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.564 -12.231 -7.764 1.00 0.44 C ATOM 1353 C PRO A 86 -8.939 -11.623 -8.029 1.00 0.40 C ATOM 1354 O PRO A 86 -9.151 -10.928 -9.019 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.522 -13.702 -8.200 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.633 -14.500 -6.943 1.00 0.57 C ATOM 1357 CD PRO A 86 -7.035 -13.657 -5.856 1.00 0.53 C ATOM 0 HA PRO A 86 -6.853 -11.611 -8.310 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.340 -13.931 -8.883 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.595 -13.928 -8.726 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.674 -14.737 -6.723 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -7.103 -15.448 -7.036 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.510 -13.844 -4.893 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.971 -13.856 -5.730 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.858 -11.872 -7.108 1.00 0.41 N ATOM 1366 CA ASP A 87 -11.220 -11.364 -7.203 1.00 0.43 C ATOM 1367 C ASP A 87 -11.246 -9.857 -6.987 1.00 0.41 C ATOM 1368 O ASP A 87 -12.059 -9.145 -7.578 1.00 0.47 O ATOM 1369 CB ASP A 87 -12.114 -12.033 -6.155 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.991 -13.544 -6.142 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.917 -14.054 -5.756 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.971 -14.230 -6.504 1.00 1.30 O ATOM 0 H ASP A 87 -9.681 -12.432 -6.274 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.594 -11.593 -8.201 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.859 -11.646 -5.169 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -13.152 -11.761 -6.346 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.333 -9.380 -6.148 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.243 -7.958 -5.822 1.00 0.50 C ATOM 1379 C ASP A 88 -9.430 -7.208 -6.871 1.00 0.49 C ATOM 1380 O ASP A 88 -9.227 -5.997 -6.762 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.594 -7.759 -4.440 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.408 -8.342 -3.297 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.633 -8.526 -3.452 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -9.823 -8.623 -2.227 1.00 1.20 O ATOM 0 H ASP A 88 -9.639 -9.961 -5.677 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.257 -7.559 -5.807 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.605 -8.218 -4.442 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.450 -6.693 -4.266 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.971 -7.924 -7.887 1.00 0.44 N ATOM 1390 CA ARG A 89 -8.169 -7.314 -8.940 1.00 0.51 C ATOM 1391 C ARG A 89 -8.744 -7.576 -10.328 1.00 0.57 C ATOM 1392 O ARG A 89 -9.173 -6.650 -11.016 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.729 -7.830 -8.874 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.920 -7.226 -7.738 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.431 -7.474 -7.917 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.993 -8.698 -7.245 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.725 -9.108 -7.202 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.770 -8.411 -7.798 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.402 -10.211 -6.551 1.00 0.81 N ATOM 0 H ARG A 89 -9.138 -8.923 -8.005 1.00 0.44 H new ATOM 0 HA ARG A 89 -8.184 -6.237 -8.772 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.745 -8.914 -8.762 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.231 -7.614 -9.819 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -6.107 -6.153 -7.688 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -6.249 -7.652 -6.790 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.200 -7.542 -8.980 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.872 -6.625 -7.523 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.699 -9.271 -6.783 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -2.001 -7.551 -8.296 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.803 -8.734 -7.759 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.124 -10.754 -6.078 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.430 -10.520 -6.522 1.00 0.81 H new ATOM 1413 N SER A 90 -8.758 -8.833 -10.736 1.00 0.50 N ATOM 1414 CA SER A 90 -9.254 -9.211 -12.049 1.00 0.59 C ATOM 1415 C SER A 90 -10.647 -9.833 -11.961 1.00 0.57 C ATOM 1416 O SER A 90 -10.866 -10.959 -12.408 1.00 0.88 O ATOM 1417 CB SER A 90 -8.270 -10.187 -12.697 1.00 0.71 C ATOM 1418 OG SER A 90 -7.568 -10.927 -11.707 1.00 1.16 O ATOM 0 H SER A 90 -8.428 -9.616 -10.171 1.00 0.50 H new ATOM 0 HA SER A 90 -9.337 -8.314 -12.663 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.808 -10.870 -13.355 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.562 -9.638 -13.318 1.00 0.71 H new ATOM 0 HG SER A 90 -6.945 -11.546 -12.142 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.584 -9.092 -11.377 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.957 -9.555 -11.233 1.00 0.49 C ATOM 1426 C LYS A 91 -13.858 -8.394 -10.834 1.00 0.51 C ATOM 1427 O LYS A 91 -14.712 -7.973 -11.611 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.043 -10.673 -10.195 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.332 -11.475 -10.268 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.286 -12.692 -9.360 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.368 -13.773 -9.915 1.00 1.24 C ATOM 1432 NZ LYS A 91 -13.865 -14.320 -11.204 1.00 1.76 N ATOM 0 H LYS A 91 -11.414 -8.162 -10.994 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.293 -9.952 -12.191 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.197 -11.348 -10.329 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.950 -10.240 -9.199 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -15.172 -10.841 -9.985 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.505 -11.794 -11.296 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -13.941 -12.395 -8.370 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -15.292 -13.095 -9.240 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.369 -13.362 -10.057 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -13.279 -14.581 -9.189 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -13.418 -15.242 -11.385 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -14.897 -14.439 -11.156 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -13.628 -13.663 -11.974 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.653 -7.890 -9.611 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.414 -6.754 -9.078 1.00 0.55 C ATOM 1448 C LEU A 92 -15.898 -7.086 -8.893 1.00 0.58 C ATOM 1449 O LEU A 92 -16.732 -6.188 -8.787 1.00 0.72 O ATOM 1450 CB LEU A 92 -14.265 -5.525 -9.989 1.00 0.65 C ATOM 1451 CG LEU A 92 -13.183 -4.518 -9.576 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -13.502 -3.916 -8.217 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.810 -5.174 -9.564 1.00 0.90 C ATOM 0 H LEU A 92 -12.956 -8.258 -8.964 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.999 -6.529 -8.096 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -14.048 -5.869 -11.000 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -15.223 -5.006 -10.028 1.00 0.65 H new ATOM 0 HG LEU A 92 -13.168 -3.714 -10.312 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -12.723 -3.205 -7.942 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -14.462 -3.403 -8.263 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -13.550 -4.708 -7.470 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -11.059 -4.441 -9.268 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.808 -6.002 -8.855 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.578 -5.550 -10.560 1.00 0.90 H new ATOM 1465 N SER A 93 -16.225 -8.366 -8.846 1.00 0.52 N ATOM 1466 CA SER A 93 -17.607 -8.789 -8.665 1.00 0.57 C ATOM 1467 C SER A 93 -17.943 -8.913 -7.181 1.00 0.58 C ATOM 1468 O SER A 93 -18.094 -10.017 -6.659 1.00 0.70 O ATOM 1469 CB SER A 93 -17.845 -10.120 -9.378 1.00 0.62 C ATOM 1470 OG SER A 93 -17.218 -10.129 -10.648 1.00 0.70 O ATOM 0 H SER A 93 -15.555 -9.131 -8.930 1.00 0.52 H new ATOM 0 HA SER A 93 -18.261 -8.034 -9.100 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.458 -10.938 -8.770 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.915 -10.289 -9.495 1.00 0.62 H new ATOM 0 HG SER A 93 -17.381 -10.990 -11.087 1.00 0.70 H new ATOM 1476 N LYS A 94 -18.046 -7.774 -6.507 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.355 -7.748 -5.085 1.00 0.60 C ATOM 1478 C LYS A 94 -19.283 -6.581 -4.757 1.00 0.71 C ATOM 1479 O LYS A 94 -19.180 -5.514 -5.367 1.00 0.82 O ATOM 1480 CB LYS A 94 -17.062 -7.644 -4.270 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.282 -8.948 -4.199 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.869 -8.741 -3.674 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.863 -8.270 -2.228 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.513 -8.385 -1.611 1.00 0.93 N ATOM 0 H LYS A 94 -17.919 -6.853 -6.926 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.865 -8.675 -4.823 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.427 -6.874 -4.708 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.305 -7.320 -3.258 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.809 -9.651 -3.553 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.238 -9.398 -5.191 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.312 -9.675 -3.754 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.354 -8.009 -4.296 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.195 -7.233 -2.183 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.577 -8.859 -1.652 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.277 -7.496 -1.125 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -13.510 -9.166 -0.925 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.808 -8.573 -2.352 1.00 0.93 H new ATOM 1498 N PRO A 95 -20.203 -6.775 -3.795 1.00 0.78 N ATOM 1499 CA PRO A 95 -21.155 -5.737 -3.382 1.00 0.92 C ATOM 1500 C PRO A 95 -20.464 -4.541 -2.730 1.00 0.95 C ATOM 1501 O PRO A 95 -19.336 -4.651 -2.249 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.056 -6.452 -2.369 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.250 -7.603 -1.880 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.387 -8.024 -3.034 1.00 0.84 C ATOM 0 HA PRO A 95 -21.697 -5.325 -4.233 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.333 -5.788 -1.550 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.983 -6.789 -2.834 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.642 -7.317 -1.022 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.894 -8.421 -1.556 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.435 -8.433 -2.696 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.869 -8.794 -3.636 1.00 0.84 H new ATOM 1512 N MET A 96 -21.150 -3.406 -2.707 1.00 1.06 N ATOM 1513 CA MET A 96 -20.595 -2.190 -2.127 1.00 1.14 C ATOM 1514 C MET A 96 -21.254 -1.869 -0.789 1.00 1.16 C ATOM 1515 O MET A 96 -20.653 -2.069 0.263 1.00 1.25 O ATOM 1516 CB MET A 96 -20.768 -1.013 -3.094 1.00 1.31 C ATOM 1517 CG MET A 96 -20.080 0.265 -2.633 1.00 1.38 C ATOM 1518 SD MET A 96 -18.302 0.060 -2.387 1.00 1.63 S ATOM 1519 CE MET A 96 -17.792 -0.475 -4.020 1.00 1.94 C ATOM 0 H MET A 96 -22.092 -3.302 -3.083 1.00 1.06 H new ATOM 0 HA MET A 96 -19.532 -2.355 -1.953 1.00 1.14 H new ATOM 0 HB2 MET A 96 -20.374 -1.295 -4.070 1.00 1.31 H new ATOM 0 HB3 MET A 96 -21.832 -0.815 -3.225 1.00 1.31 H new ATOM 0 HG2 MET A 96 -20.251 1.049 -3.370 1.00 1.38 H new ATOM 0 HG3 MET A 96 -20.534 0.599 -1.700 1.00 1.38 H new ATOM 0 HE1 MET A 96 -16.805 -0.071 -4.243 1.00 1.94 H new ATOM 0 HE2 MET A 96 -17.754 -1.564 -4.051 1.00 1.94 H new ATOM 0 HE3 MET A 96 -18.507 -0.116 -4.760 1.00 1.94 H new ATOM 1529 N GLU A 97 -22.499 -1.389 -0.850 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.271 -1.012 0.338 1.00 1.22 C ATOM 1531 C GLU A 97 -22.580 0.120 1.100 1.00 1.29 C ATOM 1532 O GLU A 97 -21.771 -0.117 2.000 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.504 -2.213 1.265 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.496 -1.929 2.383 1.00 1.50 C ATOM 1535 CD GLU A 97 -24.526 -3.019 3.435 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -23.554 -3.132 4.213 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -25.524 -3.767 3.496 1.00 2.57 O ATOM 0 H GLU A 97 -23.002 -1.250 -1.727 1.00 1.14 H new ATOM 0 HA GLU A 97 -24.244 -0.660 -0.005 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.865 -3.054 0.674 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.552 -2.516 1.702 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.241 -0.981 2.856 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.493 -1.814 1.957 1.00 1.50 H new ATOM 1544 N THR A 98 -22.902 1.351 0.735 1.00 1.31 N ATOM 1545 CA THR A 98 -22.307 2.509 1.376 1.00 1.40 C ATOM 1546 C THR A 98 -23.276 3.690 1.368 1.00 1.39 C ATOM 1547 O THR A 98 -24.298 3.652 0.678 1.00 1.35 O ATOM 1548 CB THR A 98 -20.984 2.903 0.679 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.211 3.761 1.528 1.00 1.57 O ATOM 1550 CG2 THR A 98 -21.247 3.591 -0.656 1.00 1.37 C ATOM 0 H THR A 98 -23.572 1.572 -0.002 1.00 1.31 H new ATOM 0 HA THR A 98 -22.089 2.244 2.411 1.00 1.40 H new ATOM 0 HB THR A 98 -20.422 1.989 0.486 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.375 4.002 1.076 1.00 1.57 H new ATOM 0 HG21 THR A 98 -20.298 3.856 -1.122 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.797 2.916 -1.311 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.834 4.494 -0.490 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.950 4.720 2.150 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.766 5.932 2.251 1.00 1.48 C ATOM 1560 C LEU A 99 -25.215 5.612 2.612 1.00 1.52 C ATOM 1561 O LEU A 99 -26.140 5.902 1.851 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.712 6.725 0.942 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.322 7.219 0.541 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.335 7.719 -0.891 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.851 8.315 1.485 1.00 1.61 C ATOM 0 H LEU A 99 -22.112 4.738 2.732 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.349 6.539 3.055 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -24.104 6.100 0.140 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.376 7.585 1.029 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.624 6.385 0.611 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.339 8.068 -1.164 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.630 6.908 -1.557 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -23.045 8.541 -0.983 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.860 8.654 1.183 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.548 9.152 1.447 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.807 7.925 2.502 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.406 5.021 3.781 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.740 4.659 4.246 1.00 1.68 C ATOM 1579 C ILE A 100 -27.032 5.279 5.610 1.00 1.72 C ATOM 1580 O ILE A 100 -27.958 4.866 6.306 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.913 3.125 4.335 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.725 2.491 5.071 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.066 2.532 2.941 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.879 1.004 5.307 1.00 1.79 C ATOM 0 H ILE A 100 -24.654 4.781 4.427 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.447 5.050 3.515 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.817 2.907 4.903 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.817 2.666 4.495 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.595 2.991 6.031 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.187 1.451 3.017 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.943 2.962 2.457 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.178 2.757 2.350 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.001 0.626 5.832 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.769 0.821 5.910 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.978 0.492 4.350 1.00 1.79 H new ATOM 1596 N THR A 101 -26.241 6.271 5.987 1.00 1.73 N ATOM 1597 CA THR A 101 -26.417 6.939 7.268 1.00 1.77 C ATOM 1598 C THR A 101 -26.302 8.452 7.112 1.00 1.85 C ATOM 1599 O THR A 101 -25.375 8.953 6.471 1.00 1.80 O ATOM 1600 CB THR A 101 -25.383 6.441 8.293 1.00 1.70 C ATOM 1601 OG1 THR A 101 -24.579 5.403 7.713 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.076 5.904 9.535 1.00 1.98 C ATOM 0 H THR A 101 -25.470 6.632 5.424 1.00 1.73 H new ATOM 0 HA THR A 101 -27.416 6.698 7.632 1.00 1.77 H new ATOM 0 HB THR A 101 -24.749 7.281 8.576 1.00 1.70 H new ATOM 0 HG1 THR A 101 -23.922 5.092 8.370 1.00 1.85 H new ATOM 0 HG21 THR A 101 -25.328 5.557 10.248 1.00 1.98 H new ATOM 0 HG22 THR A 101 -26.671 6.695 9.990 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.727 5.074 9.259 1.00 1.98 H new ATOM 1610 N THR A 102 -27.255 9.175 7.684 1.00 2.05 N ATOM 1611 CA THR A 102 -27.262 10.628 7.607 1.00 2.18 C ATOM 1612 C THR A 102 -26.333 11.243 8.652 1.00 2.11 C ATOM 1613 O THR A 102 -26.758 11.583 9.760 1.00 2.23 O ATOM 1614 CB THR A 102 -28.686 11.169 7.806 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.483 10.188 8.486 1.00 2.89 O ATOM 1616 CG2 THR A 102 -29.329 11.506 6.470 1.00 2.72 C ATOM 0 H THR A 102 -28.035 8.777 8.208 1.00 2.05 H new ATOM 0 HA THR A 102 -26.903 10.907 6.616 1.00 2.18 H new ATOM 0 HB THR A 102 -28.629 12.079 8.403 1.00 2.58 H new ATOM 0 HG1 THR A 102 -30.390 10.535 8.614 1.00 2.89 H new ATOM 0 HG21 THR A 102 -30.336 11.887 6.637 1.00 2.72 H new ATOM 0 HG22 THR A 102 -28.734 12.264 5.961 1.00 2.72 H new ATOM 0 HG23 THR A 102 -29.378 10.609 5.853 1.00 2.72 H new ATOM 1624 N VAL A 103 -25.060 11.361 8.302 1.00 2.05 N ATOM 1625 CA VAL A 103 -24.064 11.930 9.204 1.00 2.08 C ATOM 1626 C VAL A 103 -23.721 13.359 8.793 1.00 2.14 C ATOM 1627 O VAL A 103 -22.696 13.908 9.195 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.771 11.082 9.229 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -23.012 9.749 9.933 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -22.244 10.866 7.813 1.00 1.94 C ATOM 0 H VAL A 103 -24.690 11.070 7.397 1.00 2.05 H new ATOM 0 HA VAL A 103 -24.498 11.932 10.204 1.00 2.08 H new ATOM 0 HB VAL A 103 -22.014 11.627 9.793 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -22.089 9.169 9.939 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -23.332 9.932 10.959 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.787 9.193 9.405 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.334 10.267 7.851 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.996 10.346 7.220 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -22.025 11.831 7.355 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.592 13.953 7.995 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.399 15.309 7.507 1.00 2.30 C ATOM 1642 C ASP A 104 -25.462 16.236 8.082 1.00 2.65 C ATOM 1643 O ASP A 104 -25.573 17.388 7.617 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.453 15.329 5.976 1.00 2.32 C ATOM 1645 CG ASP A 104 -25.820 14.949 5.434 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -26.451 14.015 5.976 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -26.275 15.586 4.457 1.00 2.82 O ATOM 0 H ASP A 104 -25.451 13.511 7.668 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.419 15.661 7.831 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -24.189 16.325 5.620 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -23.706 14.641 5.581 1.00 2.32 H new