USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 660 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 79 HIS : no HD1:sc= 0.18 K(o=-0.31,f=-9.9!) USER MOD Set 1.2: A 84 SER OG : rot -141:sc= -0.489! USER MOD Set 2.1: A 66 HIS : no HE2:sc= -1.42! C(o=-1.5!,f=-4.3!) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 160:sc= -0.049 (180deg=-0.559) USER MOD Set 3.1: A 48 ASN : amide:sc= -0.569 K(o=-1.6,f=-7.6!) USER MOD Set 3.2: A 51 ASN : amide:sc= -1.02 K(o=-1.6,f=-6.3!) USER MOD Single : A 6 THR OG1 : rot 170:sc= -3.16! USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 15 GLN : amide:sc= -1.89! C(o=-1.9!,f=-3.2!) USER MOD Single : A 17 SER OG : rot 72:sc= 0.842 USER MOD Single : A 20 GLN : amide:sc= -0.317 K(o=-0.32,f=-3.2!) USER MOD Single : A 23 SER OG : rot -13:sc= 0.724 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 26 CYS SG : rot 38:sc= -1.4! USER MOD Single : A 29 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 32 SER OG : rot -160:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00579 K(o=-0.0058,f=-1.7!) USER MOD Single : A 46 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.48) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.0798 (180deg=-0.648) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 57 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 61 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-3.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 169:sc= -0.403 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -130:sc= 0.236 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.0488 USER MOD Single : A 85 SER OG : rot 26:sc= 1.06 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 59.137 -9.994 15.183 1.00 0.00 N ATOM 45 CA GLU A 4 60.245 -10.348 14.302 1.00 0.00 C ATOM 46 C GLU A 4 60.660 -9.146 13.460 1.00 0.00 C ATOM 47 O GLU A 4 59.848 -8.270 13.163 1.00 0.00 O ATOM 48 CB GLU A 4 59.827 -11.498 13.376 1.00 0.00 C ATOM 49 CG GLU A 4 61.050 -12.060 12.639 1.00 0.00 C ATOM 50 CD GLU A 4 61.976 -12.765 13.627 1.00 0.00 C ATOM 51 OE1 GLU A 4 63.077 -13.115 13.231 1.00 0.00 O ATOM 52 OE2 GLU A 4 61.567 -12.951 14.760 1.00 0.00 O1- ATOM 0 HA GLU A 4 61.090 -10.661 14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 4 59.350 -12.287 13.957 1.00 0.00 H new ATOM 0 HB3 GLU A 4 59.090 -11.144 12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.730 -12.759 11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.585 -11.254 12.138 1.00 0.00 H new ATOM 59 N VAL A 5 61.926 -9.122 13.065 1.00 0.00 N ATOM 60 CA VAL A 5 62.444 -8.038 12.244 1.00 0.00 C ATOM 61 C VAL A 5 61.649 -7.964 10.954 1.00 0.00 C ATOM 62 O VAL A 5 61.418 -8.991 10.314 1.00 0.00 O ATOM 63 CB VAL A 5 63.911 -8.320 11.914 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.581 -7.048 11.381 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.623 -8.817 13.177 1.00 0.00 C ATOM 0 H VAL A 5 62.611 -9.840 13.300 1.00 0.00 H new ATOM 0 HA VAL A 5 62.359 -7.094 12.782 1.00 0.00 H new ATOM 0 HB VAL A 5 63.975 -9.088 11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.625 -7.257 11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 5 64.067 -6.717 10.478 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.527 -6.264 12.137 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.669 -9.020 12.949 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.562 -8.054 13.953 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.144 -9.731 13.529 1.00 0.00 H new ATOM 75 N THR A 6 61.218 -6.762 10.558 1.00 0.00 N ATOM 76 CA THR A 6 60.435 -6.653 9.311 1.00 0.00 C ATOM 77 C THR A 6 61.334 -6.315 8.133 1.00 0.00 C ATOM 78 O THR A 6 62.202 -5.445 8.219 1.00 0.00 O ATOM 79 CB THR A 6 59.308 -5.627 9.441 1.00 0.00 C ATOM 80 OG1 THR A 6 59.835 -4.376 9.828 1.00 0.00 O ATOM 81 CG2 THR A 6 58.303 -6.122 10.483 1.00 0.00 C ATOM 0 H THR A 6 61.384 -5.885 11.052 1.00 0.00 H new ATOM 0 HA THR A 6 59.978 -7.625 9.128 1.00 0.00 H new ATOM 0 HB THR A 6 58.808 -5.508 8.480 1.00 0.00 H new ATOM 0 HG1 THR A 6 59.139 -3.690 9.753 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.495 -5.397 10.583 1.00 0.00 H new ATOM 0 HG22 THR A 6 57.893 -7.081 10.166 1.00 0.00 H new ATOM 0 HG23 THR A 6 58.804 -6.242 11.444 1.00 0.00 H new ATOM 89 N ILE A 7 61.125 -7.043 7.034 1.00 0.00 N ATOM 90 CA ILE A 7 61.922 -6.872 5.819 1.00 0.00 C ATOM 91 C ILE A 7 61.078 -6.297 4.681 1.00 0.00 C ATOM 92 O ILE A 7 60.987 -6.892 3.607 1.00 0.00 O ATOM 93 CB ILE A 7 62.482 -8.230 5.382 1.00 0.00 C ATOM 94 CG1 ILE A 7 63.003 -9.027 6.598 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.621 -8.023 4.378 1.00 0.00 C ATOM 96 CD1 ILE A 7 64.199 -8.325 7.255 1.00 0.00 C ATOM 0 H ILE A 7 60.405 -7.762 6.962 1.00 0.00 H new ATOM 0 HA ILE A 7 62.732 -6.177 6.039 1.00 0.00 H new ATOM 0 HB ILE A 7 61.678 -8.798 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 7 62.202 -9.145 7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 7 63.296 -10.028 6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 7 64.016 -8.991 4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 7 63.244 -7.491 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 7 64.415 -7.439 4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.542 -8.911 8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 7 65.008 -8.230 6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.898 -7.334 7.594 1.00 0.00 H new ATOM 108 N LEU A 8 60.472 -5.138 4.914 1.00 0.00 N ATOM 109 CA LEU A 8 59.655 -4.494 3.886 1.00 0.00 C ATOM 110 C LEU A 8 60.542 -3.572 3.061 1.00 0.00 C ATOM 111 O LEU A 8 60.546 -2.356 3.251 1.00 0.00 O ATOM 112 CB LEU A 8 58.521 -3.692 4.543 1.00 0.00 C ATOM 113 CG LEU A 8 57.598 -3.071 3.477 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.994 -4.170 2.576 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.468 -2.304 4.182 1.00 0.00 C ATOM 0 H LEU A 8 60.528 -4.628 5.795 1.00 0.00 H new ATOM 0 HA LEU A 8 59.211 -5.250 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 8 57.941 -4.343 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.942 -2.905 5.169 1.00 0.00 H new ATOM 0 HG LEU A 8 58.179 -2.393 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.345 -3.712 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.796 -4.712 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.414 -4.862 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.809 -1.860 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.898 -2.990 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 8 56.895 -1.516 4.803 1.00 0.00 H new ATOM 127 N GLU A 9 61.309 -4.169 2.147 1.00 0.00 N ATOM 128 CA GLU A 9 62.231 -3.418 1.289 1.00 0.00 C ATOM 129 C GLU A 9 61.893 -3.653 -0.189 1.00 0.00 C ATOM 130 O GLU A 9 62.498 -4.507 -0.838 1.00 0.00 O ATOM 131 CB GLU A 9 63.667 -3.888 1.579 1.00 0.00 C ATOM 132 CG GLU A 9 64.694 -2.922 0.961 1.00 0.00 C ATOM 133 CD GLU A 9 66.021 -3.006 1.711 1.00 0.00 C ATOM 134 OE1 GLU A 9 66.434 -4.110 2.024 1.00 0.00 O ATOM 135 OE2 GLU A 9 66.605 -1.963 1.961 1.00 0.00 O1- ATOM 0 H GLU A 9 61.310 -5.175 1.981 1.00 0.00 H new ATOM 0 HA GLU A 9 62.138 -2.352 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.823 -3.952 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.815 -4.890 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 9 64.847 -3.167 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 9 64.312 -1.902 0.998 1.00 0.00 H new ATOM 142 N PRO A 10 60.945 -2.917 -0.727 1.00 0.00 N ATOM 143 CA PRO A 10 60.528 -3.065 -2.153 1.00 0.00 C ATOM 144 C PRO A 10 61.594 -2.532 -3.125 1.00 0.00 C ATOM 145 O PRO A 10 61.287 -1.798 -4.065 1.00 0.00 O ATOM 146 CB PRO A 10 59.195 -2.276 -2.256 1.00 0.00 C ATOM 147 CG PRO A 10 58.907 -1.714 -0.882 1.00 0.00 C ATOM 148 CD PRO A 10 60.176 -1.876 -0.037 1.00 0.00 C ATOM 0 HA PRO A 10 60.403 -4.111 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.277 -1.475 -2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 10 58.385 -2.928 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.624 -0.664 -0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 10 58.071 -2.240 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.736 -0.942 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.938 -2.170 0.985 1.00 0.00 H new ATOM 156 N LEU A 11 62.846 -2.920 -2.893 1.00 0.00 N ATOM 157 CA LEU A 11 63.946 -2.487 -3.754 1.00 0.00 C ATOM 158 C LEU A 11 64.015 -3.358 -5.011 1.00 0.00 C ATOM 159 O LEU A 11 64.796 -4.305 -5.083 1.00 0.00 O ATOM 160 CB LEU A 11 65.279 -2.568 -2.985 1.00 0.00 C ATOM 161 CG LEU A 11 65.580 -1.251 -2.226 1.00 0.00 C ATOM 162 CD1 LEU A 11 66.144 -0.195 -3.191 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.314 -0.694 -1.540 1.00 0.00 C ATOM 0 H LEU A 11 63.124 -3.528 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 11 63.768 -1.454 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.242 -3.396 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 11 66.090 -2.780 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 11 66.319 -1.477 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 11 66.351 0.725 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 11 67.066 -0.566 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.415 0.006 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.560 0.230 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 11 63.551 -0.493 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.935 -1.425 -0.826 1.00 0.00 H new ATOM 175 N GLN A 12 63.191 -3.026 -5.992 1.00 0.00 N ATOM 176 CA GLN A 12 63.159 -3.778 -7.240 1.00 0.00 C ATOM 177 C GLN A 12 64.389 -3.464 -8.096 1.00 0.00 C ATOM 178 O GLN A 12 65.394 -4.171 -8.035 1.00 0.00 O ATOM 179 CB GLN A 12 61.880 -3.424 -7.996 1.00 0.00 C ATOM 180 CG GLN A 12 60.681 -3.955 -7.209 1.00 0.00 C ATOM 181 CD GLN A 12 59.378 -3.469 -7.828 1.00 0.00 C ATOM 182 OE1 GLN A 12 59.388 -2.778 -8.846 1.00 0.00 O ATOM 183 NE2 GLN A 12 58.247 -3.787 -7.260 1.00 0.00 N ATOM 0 H GLN A 12 62.537 -2.244 -5.951 1.00 0.00 H new ATOM 0 HA GLN A 12 63.173 -4.845 -7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.802 -2.344 -8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.899 -3.860 -8.995 1.00 0.00 H new ATOM 0 HG2 GLN A 12 60.700 -5.045 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 12 60.744 -3.624 -6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 12 58.243 -4.360 -6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 12 57.367 -3.463 -7.660 1.00 0.00 H new ATOM 192 N ASP A 13 64.301 -2.402 -8.890 1.00 0.00 N ATOM 193 CA ASP A 13 65.410 -2.003 -9.756 1.00 0.00 C ATOM 194 C ASP A 13 65.110 -0.661 -10.417 1.00 0.00 C ATOM 195 O ASP A 13 64.011 -0.455 -10.932 1.00 0.00 O ATOM 196 CB ASP A 13 65.631 -3.059 -10.840 1.00 0.00 C ATOM 197 CG ASP A 13 64.345 -3.265 -11.633 1.00 0.00 C ATOM 198 OD1 ASP A 13 64.387 -3.986 -12.616 1.00 0.00 O ATOM 199 OD2 ASP A 13 63.336 -2.704 -11.242 1.00 0.00 O1- ATOM 0 H ASP A 13 63.478 -1.803 -8.953 1.00 0.00 H new ATOM 0 HA ASP A 13 66.309 -1.910 -9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 13 66.434 -2.745 -11.507 1.00 0.00 H new ATOM 0 HB3 ASP A 13 65.943 -3.999 -10.386 1.00 0.00 H new ATOM 204 N VAL A 14 66.088 0.253 -10.408 1.00 0.00 N ATOM 205 CA VAL A 14 65.893 1.579 -11.026 1.00 0.00 C ATOM 206 C VAL A 14 67.061 1.922 -11.947 1.00 0.00 C ATOM 207 O VAL A 14 68.163 1.396 -11.795 1.00 0.00 O ATOM 208 CB VAL A 14 65.758 2.666 -9.950 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.530 2.387 -9.078 1.00 0.00 C ATOM 210 CG2 VAL A 14 67.009 2.688 -9.068 1.00 0.00 C ATOM 0 H VAL A 14 67.007 0.108 -9.989 1.00 0.00 H new ATOM 0 HA VAL A 14 64.975 1.540 -11.612 1.00 0.00 H new ATOM 0 HB VAL A 14 65.644 3.633 -10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.441 3.162 -8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.635 2.384 -9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.639 1.416 -8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.905 3.462 -8.308 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.131 1.719 -8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 14 67.884 2.899 -9.683 1.00 0.00 H new ATOM 220 N GLN A 15 66.807 2.814 -12.911 1.00 0.00 N ATOM 221 CA GLN A 15 67.838 3.234 -13.870 1.00 0.00 C ATOM 222 C GLN A 15 67.936 4.764 -13.911 1.00 0.00 C ATOM 223 O GLN A 15 66.956 5.454 -14.187 1.00 0.00 O ATOM 224 CB GLN A 15 67.511 2.680 -15.277 1.00 0.00 C ATOM 225 CG GLN A 15 66.001 2.434 -15.411 1.00 0.00 C ATOM 226 CD GLN A 15 65.619 1.115 -14.743 1.00 0.00 C ATOM 227 OE1 GLN A 15 66.395 0.159 -14.766 1.00 0.00 O ATOM 228 NE2 GLN A 15 64.459 1.003 -14.158 1.00 0.00 N ATOM 0 H GLN A 15 65.899 3.259 -13.049 1.00 0.00 H new ATOM 0 HA GLN A 15 68.800 2.833 -13.549 1.00 0.00 H new ATOM 0 HB2 GLN A 15 67.841 3.385 -16.040 1.00 0.00 H new ATOM 0 HB3 GLN A 15 68.055 1.751 -15.446 1.00 0.00 H new ATOM 0 HG2 GLN A 15 65.450 3.255 -14.953 1.00 0.00 H new ATOM 0 HG3 GLN A 15 65.721 2.411 -16.464 1.00 0.00 H new ATOM 0 HE21 GLN A 15 63.818 1.796 -14.140 1.00 0.00 H new ATOM 0 HE22 GLN A 15 64.193 0.122 -13.718 1.00 0.00 H new ATOM 237 N LEU A 16 69.132 5.284 -13.616 1.00 0.00 N ATOM 238 CA LEU A 16 69.368 6.733 -13.601 1.00 0.00 C ATOM 239 C LEU A 16 70.522 7.116 -14.520 1.00 0.00 C ATOM 240 O LEU A 16 71.538 6.423 -14.573 1.00 0.00 O ATOM 241 CB LEU A 16 69.725 7.162 -12.184 1.00 0.00 C ATOM 242 CG LEU A 16 68.645 6.685 -11.213 1.00 0.00 C ATOM 243 CD1 LEU A 16 69.100 6.984 -9.789 1.00 0.00 C ATOM 244 CD2 LEU A 16 67.318 7.407 -11.500 1.00 0.00 C ATOM 0 H LEU A 16 69.952 4.724 -13.384 1.00 0.00 H new ATOM 0 HA LEU A 16 68.461 7.229 -13.947 1.00 0.00 H new ATOM 0 HB2 LEU A 16 70.692 6.746 -11.901 1.00 0.00 H new ATOM 0 HB3 LEU A 16 69.818 8.247 -12.135 1.00 0.00 H new ATOM 0 HG LEU A 16 68.489 5.613 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 16 68.338 6.648 -9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 16 70.035 6.461 -9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 16 69.253 8.057 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 16 66.556 7.059 -10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 16 67.455 8.482 -11.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 67.000 7.193 -12.520 1.00 0.00 H new ATOM 256 N SER A 17 70.374 8.240 -15.217 1.00 0.00 N ATOM 257 CA SER A 17 71.433 8.722 -16.099 1.00 0.00 C ATOM 258 C SER A 17 72.453 9.517 -15.286 1.00 0.00 C ATOM 259 O SER A 17 72.135 10.041 -14.221 1.00 0.00 O ATOM 260 CB SER A 17 70.846 9.603 -17.204 1.00 0.00 C ATOM 261 OG SER A 17 71.790 9.716 -18.260 1.00 0.00 O ATOM 0 H SER A 17 69.541 8.828 -15.189 1.00 0.00 H new ATOM 0 HA SER A 17 71.926 7.867 -16.562 1.00 0.00 H new ATOM 0 HB2 SER A 17 69.917 9.171 -17.575 1.00 0.00 H new ATOM 0 HB3 SER A 17 70.604 10.590 -16.809 1.00 0.00 H new ATOM 0 HG SER A 17 71.851 8.862 -18.737 1.00 0.00 H new ATOM 267 N GLU A 18 73.680 9.595 -15.782 1.00 0.00 N ATOM 268 CA GLU A 18 74.732 10.321 -15.076 1.00 0.00 C ATOM 269 C GLU A 18 74.289 11.742 -14.721 1.00 0.00 C ATOM 270 O GLU A 18 73.587 12.399 -15.491 1.00 0.00 O ATOM 271 CB GLU A 18 75.994 10.367 -15.943 1.00 0.00 C ATOM 272 CG GLU A 18 77.100 11.126 -15.207 1.00 0.00 C ATOM 273 CD GLU A 18 78.406 11.055 -15.991 1.00 0.00 C ATOM 274 OE1 GLU A 18 78.364 11.257 -17.193 1.00 0.00 O ATOM 275 OE2 GLU A 18 79.430 10.805 -15.377 1.00 0.00 O1- ATOM 0 H GLU A 18 73.972 9.170 -16.662 1.00 0.00 H new ATOM 0 HA GLU A 18 74.944 9.795 -14.145 1.00 0.00 H new ATOM 0 HB2 GLU A 18 76.326 9.354 -16.173 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.776 10.854 -16.893 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.807 12.167 -15.070 1.00 0.00 H new ATOM 0 HG3 GLU A 18 77.242 10.702 -14.213 1.00 0.00 H new ATOM 282 N GLY A 19 74.719 12.209 -13.546 1.00 0.00 N ATOM 283 CA GLY A 19 74.381 13.557 -13.081 1.00 0.00 C ATOM 284 C GLY A 19 73.042 13.586 -12.348 1.00 0.00 C ATOM 285 O GLY A 19 72.585 14.647 -11.923 1.00 0.00 O ATOM 0 H GLY A 19 75.301 11.675 -12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.166 13.920 -12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.344 14.236 -13.933 1.00 0.00 H new ATOM 289 N GLN A 20 72.412 12.420 -12.199 1.00 0.00 N ATOM 290 CA GLN A 20 71.116 12.335 -11.514 1.00 0.00 C ATOM 291 C GLN A 20 71.280 11.834 -10.082 1.00 0.00 C ATOM 292 O GLN A 20 72.155 11.019 -9.792 1.00 0.00 O ATOM 293 CB GLN A 20 70.185 11.393 -12.275 1.00 0.00 C ATOM 294 CG GLN A 20 69.814 12.024 -13.619 1.00 0.00 C ATOM 295 CD GLN A 20 68.887 11.095 -14.396 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.480 10.053 -13.882 1.00 0.00 O ATOM 297 NE2 GLN A 20 68.528 11.411 -15.610 1.00 0.00 N ATOM 0 H GLN A 20 72.771 11.528 -12.539 1.00 0.00 H new ATOM 0 HA GLN A 20 70.686 13.336 -11.484 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.673 10.431 -12.434 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.286 11.201 -11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 20 69.326 12.985 -13.456 1.00 0.00 H new ATOM 0 HG3 GLN A 20 70.716 12.219 -14.199 1.00 0.00 H new ATOM 0 HE21 GLN A 20 68.867 12.275 -16.033 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.909 10.794 -16.136 1.00 0.00 H new ATOM 306 N ASP A 21 70.422 12.328 -9.195 1.00 0.00 N ATOM 307 CA ASP A 21 70.460 11.931 -7.790 1.00 0.00 C ATOM 308 C ASP A 21 69.914 10.515 -7.617 1.00 0.00 C ATOM 309 O ASP A 21 69.096 10.058 -8.413 1.00 0.00 O ATOM 310 CB ASP A 21 69.615 12.900 -6.957 1.00 0.00 C ATOM 311 CG ASP A 21 69.913 12.724 -5.471 1.00 0.00 C ATOM 312 OD1 ASP A 21 69.092 13.134 -4.668 1.00 0.00 O ATOM 313 OD2 ASP A 21 70.962 12.184 -5.155 1.00 0.00 O1- ATOM 0 H ASP A 21 69.692 13.003 -9.423 1.00 0.00 H new ATOM 0 HA ASP A 21 71.496 11.956 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.825 13.926 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 21 68.556 12.723 -7.145 1.00 0.00 H new ATOM 318 N ALA A 22 70.359 9.830 -6.561 1.00 0.00 N ATOM 319 CA ALA A 22 69.894 8.468 -6.281 1.00 0.00 C ATOM 320 C ALA A 22 69.560 8.324 -4.802 1.00 0.00 C ATOM 321 O ALA A 22 70.278 8.828 -3.938 1.00 0.00 O ATOM 322 CB ALA A 22 70.970 7.445 -6.659 1.00 0.00 C ATOM 0 H ALA A 22 71.036 10.192 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 22 69.000 8.282 -6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.608 6.440 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.196 7.530 -7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.873 7.636 -6.080 1.00 0.00 H new ATOM 328 N SER A 23 68.462 7.632 -4.519 1.00 0.00 N ATOM 329 CA SER A 23 68.032 7.424 -3.142 1.00 0.00 C ATOM 330 C SER A 23 67.055 6.261 -3.066 1.00 0.00 C ATOM 331 O SER A 23 66.414 5.909 -4.056 1.00 0.00 O ATOM 332 CB SER A 23 67.357 8.686 -2.605 1.00 0.00 C ATOM 333 OG SER A 23 68.294 9.755 -2.595 1.00 0.00 O ATOM 0 H SER A 23 67.856 7.207 -5.221 1.00 0.00 H new ATOM 0 HA SER A 23 68.910 7.197 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 23 66.499 8.945 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.979 8.509 -1.598 1.00 0.00 H new ATOM 0 HG SER A 23 69.197 9.400 -2.730 1.00 0.00 H new ATOM 339 N PHE A 24 66.934 5.676 -1.878 1.00 0.00 N ATOM 340 CA PHE A 24 66.021 4.556 -1.664 1.00 0.00 C ATOM 341 C PHE A 24 65.244 4.752 -0.367 1.00 0.00 C ATOM 342 O PHE A 24 65.733 5.374 0.576 1.00 0.00 O ATOM 343 CB PHE A 24 66.798 3.243 -1.581 1.00 0.00 C ATOM 344 CG PHE A 24 67.525 2.980 -2.882 1.00 0.00 C ATOM 345 CD1 PHE A 24 68.925 2.991 -2.920 1.00 0.00 C ATOM 346 CD2 PHE A 24 66.797 2.706 -4.048 1.00 0.00 C ATOM 347 CE1 PHE A 24 69.597 2.729 -4.120 1.00 0.00 C ATOM 348 CE2 PHE A 24 67.470 2.447 -5.249 1.00 0.00 C ATOM 349 CZ PHE A 24 68.870 2.457 -5.284 1.00 0.00 C ATOM 0 H PHE A 24 67.456 5.958 -1.049 1.00 0.00 H new ATOM 0 HA PHE A 24 65.329 4.516 -2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 24 67.513 3.287 -0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 24 66.115 2.421 -1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 24 69.487 3.202 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.717 2.695 -4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 24 70.677 2.737 -4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 24 66.909 2.240 -6.148 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.388 2.255 -6.210 1.00 0.00 H new ATOM 359 N GLN A 25 64.036 4.205 -0.327 1.00 0.00 N ATOM 360 CA GLN A 25 63.175 4.299 0.853 1.00 0.00 C ATOM 361 C GLN A 25 62.784 2.893 1.297 1.00 0.00 C ATOM 362 O GLN A 25 62.443 2.051 0.468 1.00 0.00 O ATOM 363 CB GLN A 25 61.919 5.107 0.503 1.00 0.00 C ATOM 364 CG GLN A 25 61.411 4.675 -0.875 1.00 0.00 C ATOM 365 CD GLN A 25 60.137 5.436 -1.233 1.00 0.00 C ATOM 366 OE1 GLN A 25 59.981 6.599 -0.862 1.00 0.00 O ATOM 367 NE2 GLN A 25 59.215 4.843 -1.942 1.00 0.00 N ATOM 0 H GLN A 25 63.624 3.687 -1.103 1.00 0.00 H new ATOM 0 HA GLN A 25 63.706 4.799 1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 25 61.147 4.946 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 25 62.146 6.173 0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 25 62.177 4.861 -1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 25 61.215 3.603 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 25 59.348 3.879 -2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 25 58.362 5.344 -2.190 1.00 0.00 H new ATOM 376 N CYS A 26 62.851 2.629 2.603 1.00 0.00 N ATOM 377 CA CYS A 26 62.512 1.300 3.119 1.00 0.00 C ATOM 378 C CYS A 26 61.943 1.379 4.534 1.00 0.00 C ATOM 379 O CYS A 26 62.082 2.392 5.218 1.00 0.00 O ATOM 380 CB CYS A 26 63.759 0.411 3.120 1.00 0.00 C ATOM 381 SG CYS A 26 63.326 -1.233 3.739 1.00 0.00 S ATOM 0 H CYS A 26 63.132 3.305 3.313 1.00 0.00 H new ATOM 0 HA CYS A 26 61.750 0.872 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 26 64.166 0.336 2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 26 64.534 0.854 3.745 1.00 0.00 H new ATOM 0 HG CYS A 26 62.151 -1.568 3.295 1.00 0.00 H new ATOM 387 N ARG A 27 61.297 0.291 4.958 1.00 0.00 N ATOM 388 CA ARG A 27 60.693 0.211 6.291 1.00 0.00 C ATOM 389 C ARG A 27 61.131 -1.075 6.989 1.00 0.00 C ATOM 390 O ARG A 27 60.550 -2.140 6.763 1.00 0.00 O ATOM 391 CB ARG A 27 59.168 0.218 6.154 1.00 0.00 C ATOM 392 CG ARG A 27 58.715 1.550 5.553 1.00 0.00 C ATOM 393 CD ARG A 27 57.212 1.504 5.277 1.00 0.00 C ATOM 394 NE ARG A 27 56.475 1.385 6.532 1.00 0.00 N ATOM 395 CZ ARG A 27 56.154 2.464 7.242 1.00 0.00 C ATOM 396 NH1 ARG A 27 56.233 2.436 8.545 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.760 3.547 6.633 1.00 0.00 N ATOM 0 H ARG A 27 61.178 -0.551 4.395 1.00 0.00 H new ATOM 0 HA ARG A 27 61.018 1.066 6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 27 58.846 -0.608 5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 27 58.704 0.071 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 27 58.944 2.366 6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.259 1.747 4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 27 56.903 2.406 4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 27 56.979 0.660 4.628 1.00 0.00 H new ATOM 0 HE ARG A 27 56.202 0.462 6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 27 56.541 1.587 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 27 55.987 3.263 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.698 3.566 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 27 55.513 4.376 7.174 1.00 0.00 H new ATOM 411 N LEU A 28 62.166 -0.980 7.831 1.00 0.00 N ATOM 412 CA LEU A 28 62.679 -2.158 8.542 1.00 0.00 C ATOM 413 C LEU A 28 62.440 -2.048 10.048 1.00 0.00 C ATOM 414 O LEU A 28 63.043 -1.211 10.713 1.00 0.00 O ATOM 415 CB LEU A 28 64.190 -2.277 8.306 1.00 0.00 C ATOM 416 CG LEU A 28 64.500 -2.327 6.806 1.00 0.00 C ATOM 417 CD1 LEU A 28 66.016 -2.405 6.614 1.00 0.00 C ATOM 418 CD2 LEU A 28 63.840 -3.559 6.171 1.00 0.00 C ATOM 0 H LEU A 28 62.660 -0.112 8.036 1.00 0.00 H new ATOM 0 HA LEU A 28 62.152 -3.033 8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.702 -1.429 8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.570 -3.176 8.791 1.00 0.00 H new ATOM 0 HG LEU A 28 64.108 -1.430 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.247 -2.441 5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.485 -1.526 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.398 -3.303 7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.067 -3.585 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.224 -4.462 6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 28 62.760 -3.506 6.311 1.00 0.00 H new ATOM 430 N SER A 29 61.587 -2.923 10.587 1.00 0.00 N ATOM 431 CA SER A 29 61.320 -2.925 12.027 1.00 0.00 C ATOM 432 C SER A 29 62.573 -3.377 12.752 1.00 0.00 C ATOM 433 O SER A 29 63.421 -4.046 12.162 1.00 0.00 O ATOM 434 CB SER A 29 60.158 -3.855 12.385 1.00 0.00 C ATOM 435 OG SER A 29 59.969 -3.845 13.795 1.00 0.00 O ATOM 0 H SER A 29 61.076 -3.629 10.057 1.00 0.00 H new ATOM 0 HA SER A 29 61.042 -1.916 12.330 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.248 -3.530 11.882 1.00 0.00 H new ATOM 0 HB3 SER A 29 60.368 -4.868 12.041 1.00 0.00 H new ATOM 0 HG SER A 29 59.225 -4.438 14.029 1.00 0.00 H new ATOM 441 N ARG A 30 62.691 -2.987 14.015 1.00 0.00 N ATOM 442 CA ARG A 30 63.873 -3.304 14.806 1.00 0.00 C ATOM 443 C ARG A 30 64.212 -4.785 14.821 1.00 0.00 C ATOM 444 O ARG A 30 63.425 -5.638 14.414 1.00 0.00 O ATOM 445 CB ARG A 30 63.676 -2.830 16.244 1.00 0.00 C ATOM 446 CG ARG A 30 62.502 -3.570 16.905 1.00 0.00 C ATOM 447 CD ARG A 30 62.432 -3.184 18.382 1.00 0.00 C ATOM 448 NE ARG A 30 63.530 -3.813 19.111 1.00 0.00 N ATOM 449 CZ ARG A 30 63.867 -3.412 20.331 1.00 0.00 C ATOM 450 NH1 ARG A 30 63.076 -2.618 20.999 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 64.992 -3.811 20.859 1.00 0.00 N ATOM 0 H ARG A 30 61.982 -2.450 14.514 1.00 0.00 H new ATOM 0 HA ARG A 30 64.706 -2.785 14.331 1.00 0.00 H new ATOM 0 HB2 ARG A 30 64.588 -3.000 16.816 1.00 0.00 H new ATOM 0 HB3 ARG A 30 63.488 -1.756 16.256 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.568 -3.314 16.405 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.633 -4.647 16.804 1.00 0.00 H new ATOM 0 HD2 ARG A 30 62.487 -2.100 18.487 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.477 -3.497 18.804 1.00 0.00 H new ATOM 0 HE ARG A 30 64.048 -4.575 18.674 1.00 0.00 H new ATOM 0 HH11 ARG A 30 62.198 -2.305 20.584 1.00 0.00 H new ATOM 0 HH12 ARG A 30 63.335 -2.310 21.936 1.00 0.00 H new ATOM 0 HH21 ARG A 30 65.610 -4.430 20.334 1.00 0.00 H new ATOM 0 HH22 ARG A 30 65.253 -3.504 21.796 1.00 0.00 H new ATOM 465 N ALA A 31 65.422 -5.051 15.302 1.00 0.00 N ATOM 466 CA ALA A 31 65.952 -6.400 15.394 1.00 0.00 C ATOM 467 C ALA A 31 65.132 -7.267 16.343 1.00 0.00 C ATOM 468 O ALA A 31 64.417 -6.763 17.209 1.00 0.00 O ATOM 469 CB ALA A 31 67.393 -6.346 15.900 1.00 0.00 C ATOM 0 H ALA A 31 66.062 -4.332 15.639 1.00 0.00 H new ATOM 0 HA ALA A 31 65.907 -6.842 14.399 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.792 -7.358 15.970 1.00 0.00 H new ATOM 0 HB2 ALA A 31 68.000 -5.763 15.207 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.416 -5.878 16.884 1.00 0.00 H new ATOM 475 N SER A 32 65.266 -8.581 16.184 1.00 0.00 N ATOM 476 CA SER A 32 64.569 -9.543 17.036 1.00 0.00 C ATOM 477 C SER A 32 65.513 -10.701 17.326 1.00 0.00 C ATOM 478 O SER A 32 65.842 -10.979 18.479 1.00 0.00 O ATOM 479 CB SER A 32 63.299 -10.049 16.346 1.00 0.00 C ATOM 480 OG SER A 32 62.402 -10.549 17.329 1.00 0.00 O ATOM 0 H SER A 32 65.855 -9.007 15.468 1.00 0.00 H new ATOM 0 HA SER A 32 64.273 -9.063 17.969 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.829 -9.241 15.785 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.547 -10.833 15.630 1.00 0.00 H new ATOM 0 HG SER A 32 61.752 -11.147 16.905 1.00 0.00 H new ATOM 486 N GLY A 33 65.976 -11.346 16.256 1.00 0.00 N ATOM 487 CA GLY A 33 66.924 -12.451 16.369 1.00 0.00 C ATOM 488 C GLY A 33 68.290 -11.980 15.894 1.00 0.00 C ATOM 489 O GLY A 33 69.213 -11.805 16.689 1.00 0.00 O ATOM 0 H GLY A 33 65.708 -11.120 15.298 1.00 0.00 H new ATOM 0 HA2 GLY A 33 66.982 -12.794 17.402 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.588 -13.298 15.771 1.00 0.00 H new ATOM 493 N GLN A 34 68.400 -11.747 14.583 1.00 0.00 N ATOM 494 CA GLN A 34 69.648 -11.265 13.987 1.00 0.00 C ATOM 495 C GLN A 34 69.423 -9.943 13.265 1.00 0.00 C ATOM 496 O GLN A 34 68.368 -9.714 12.674 1.00 0.00 O ATOM 497 CB GLN A 34 70.203 -12.293 13.004 1.00 0.00 C ATOM 498 CG GLN A 34 71.526 -11.770 12.444 1.00 0.00 C ATOM 499 CD GLN A 34 72.244 -12.872 11.676 1.00 0.00 C ATOM 500 OE1 GLN A 34 71.953 -14.053 11.865 1.00 0.00 O ATOM 501 NE2 GLN A 34 73.170 -12.553 10.814 1.00 0.00 N ATOM 0 H GLN A 34 67.641 -11.884 13.916 1.00 0.00 H new ATOM 0 HA GLN A 34 70.368 -11.113 14.791 1.00 0.00 H new ATOM 0 HB2 GLN A 34 70.356 -13.250 13.504 1.00 0.00 H new ATOM 0 HB3 GLN A 34 69.492 -12.465 12.196 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.341 -10.920 11.787 1.00 0.00 H new ATOM 0 HG3 GLN A 34 72.158 -11.412 13.257 1.00 0.00 H new ATOM 0 HE21 GLN A 34 73.408 -11.573 10.660 1.00 0.00 H new ATOM 0 HE22 GLN A 34 73.656 -13.283 10.294 1.00 0.00 H new ATOM 510 N GLU A 35 70.427 -9.073 13.328 1.00 0.00 N ATOM 511 CA GLU A 35 70.342 -7.765 12.691 1.00 0.00 C ATOM 512 C GLU A 35 70.713 -7.836 11.211 1.00 0.00 C ATOM 513 O GLU A 35 71.625 -8.563 10.817 1.00 0.00 O ATOM 514 CB GLU A 35 71.278 -6.786 13.406 1.00 0.00 C ATOM 515 CG GLU A 35 71.152 -5.396 12.777 1.00 0.00 C ATOM 516 CD GLU A 35 71.983 -4.390 13.564 1.00 0.00 C ATOM 517 OE1 GLU A 35 72.457 -4.745 14.633 1.00 0.00 O ATOM 518 OE2 GLU A 35 72.122 -3.271 13.097 1.00 0.00 O1- ATOM 0 H GLU A 35 71.307 -9.251 13.813 1.00 0.00 H new ATOM 0 HA GLU A 35 69.311 -7.420 12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.030 -6.739 14.466 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.308 -7.135 13.335 1.00 0.00 H new ATOM 0 HG2 GLU A 35 71.488 -5.425 11.740 1.00 0.00 H new ATOM 0 HG3 GLU A 35 70.107 -5.087 12.765 1.00 0.00 H new ATOM 525 N ALA A 36 69.995 -7.059 10.406 1.00 0.00 N ATOM 526 CA ALA A 36 70.236 -7.002 8.969 1.00 0.00 C ATOM 527 C ALA A 36 71.531 -6.256 8.676 1.00 0.00 C ATOM 528 O ALA A 36 71.947 -5.395 9.450 1.00 0.00 O ATOM 529 CB ALA A 36 69.072 -6.279 8.290 1.00 0.00 C ATOM 0 H ALA A 36 69.237 -6.457 10.727 1.00 0.00 H new ATOM 0 HA ALA A 36 70.320 -8.019 8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.249 -6.234 7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.145 -6.820 8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.991 -5.267 8.687 1.00 0.00 H new ATOM 535 N ARG A 37 72.167 -6.585 7.549 1.00 0.00 N ATOM 536 CA ARG A 37 73.420 -5.933 7.158 1.00 0.00 C ATOM 537 C ARG A 37 73.297 -5.320 5.767 1.00 0.00 C ATOM 538 O ARG A 37 72.930 -5.995 4.801 1.00 0.00 O ATOM 539 CB ARG A 37 74.574 -6.943 7.175 1.00 0.00 C ATOM 540 CG ARG A 37 75.886 -6.220 6.865 1.00 0.00 C ATOM 541 CD ARG A 37 77.060 -7.195 6.978 1.00 0.00 C ATOM 542 NE ARG A 37 76.969 -8.225 5.948 1.00 0.00 N ATOM 543 CZ ARG A 37 77.868 -9.206 5.871 1.00 0.00 C ATOM 544 NH1 ARG A 37 78.606 -9.329 4.802 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 78.013 -10.043 6.862 1.00 0.00 N ATOM 0 H ARG A 37 71.838 -7.295 6.894 1.00 0.00 H new ATOM 0 HA ARG A 37 73.627 -5.139 7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.634 -7.427 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 37 74.396 -7.728 6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 37 75.849 -5.797 5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 37 76.025 -5.389 7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 37 78.001 -6.654 6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 37 77.062 -7.658 7.965 1.00 0.00 H new ATOM 0 HE ARG A 37 76.203 -8.194 5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 37 78.494 -8.675 4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 37 79.295 -10.079 4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 37 77.437 -9.947 7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 37 78.702 -10.793 6.800 1.00 0.00 H new ATOM 559 N TRP A 38 73.624 -4.032 5.688 1.00 0.00 N ATOM 560 CA TRP A 38 73.577 -3.289 4.433 1.00 0.00 C ATOM 561 C TRP A 38 74.958 -3.323 3.785 1.00 0.00 C ATOM 562 O TRP A 38 75.967 -3.374 4.486 1.00 0.00 O ATOM 563 CB TRP A 38 73.176 -1.840 4.731 1.00 0.00 C ATOM 564 CG TRP A 38 72.708 -1.162 3.485 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.331 -0.125 2.882 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.526 -1.452 2.688 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.601 0.247 1.767 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.480 -0.545 1.604 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.500 -2.404 2.803 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.448 -0.584 0.664 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.461 -2.446 1.861 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.435 -1.538 0.793 1.00 0.00 C ATOM 0 H TRP A 38 73.927 -3.477 6.488 1.00 0.00 H new ATOM 0 HA TRP A 38 72.849 -3.735 3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 38 72.386 -1.822 5.481 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.025 -1.300 5.149 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.248 0.337 3.216 1.00 0.00 H new ATOM 0 HE1 TRP A 38 72.858 1.011 1.142 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.511 -3.108 3.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 70.433 0.118 -0.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.677 -3.182 1.959 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.633 -1.576 0.071 1.00 0.00 H new ATOM 583 N ALA A 39 75.017 -3.313 2.456 1.00 0.00 N ATOM 584 CA ALA A 39 76.315 -3.363 1.791 1.00 0.00 C ATOM 585 C ALA A 39 76.212 -3.035 0.304 1.00 0.00 C ATOM 586 O ALA A 39 75.168 -3.228 -0.319 1.00 0.00 O ATOM 587 CB ALA A 39 76.917 -4.761 1.961 1.00 0.00 C ATOM 0 H ALA A 39 74.209 -3.272 1.835 1.00 0.00 H new ATOM 0 HA ALA A 39 76.954 -2.611 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 39 77.887 -4.802 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 39 77.042 -4.977 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.251 -5.501 1.517 1.00 0.00 H new ATOM 593 N LEU A 40 77.323 -2.553 -0.261 1.00 0.00 N ATOM 594 CA LEU A 40 77.388 -2.214 -1.686 1.00 0.00 C ATOM 595 C LEU A 40 78.438 -3.092 -2.357 1.00 0.00 C ATOM 596 O LEU A 40 79.622 -3.020 -2.026 1.00 0.00 O ATOM 597 CB LEU A 40 77.764 -0.733 -1.853 1.00 0.00 C ATOM 598 CG LEU A 40 77.925 -0.370 -3.342 1.00 0.00 C ATOM 599 CD1 LEU A 40 76.593 -0.557 -4.081 1.00 0.00 C ATOM 600 CD2 LEU A 40 78.366 1.092 -3.450 1.00 0.00 C ATOM 0 H LEU A 40 78.192 -2.388 0.248 1.00 0.00 H new ATOM 0 HA LEU A 40 76.416 -2.385 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.995 -0.106 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.694 -0.528 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 40 78.672 -1.022 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 40 76.720 -0.297 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 76.275 -1.596 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 40 75.836 0.090 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.483 1.360 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 40 77.613 1.734 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 40 79.317 1.224 -2.933 1.00 0.00 H new ATOM 612 N GLY A 41 77.999 -3.920 -3.297 1.00 0.00 N ATOM 613 CA GLY A 41 78.911 -4.814 -4.004 1.00 0.00 C ATOM 614 C GLY A 41 79.123 -6.094 -3.205 1.00 0.00 C ATOM 615 O GLY A 41 79.977 -6.916 -3.539 1.00 0.00 O ATOM 0 H GLY A 41 77.024 -3.992 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.506 -5.054 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 41 79.867 -4.316 -4.166 1.00 0.00 H new ATOM 619 N GLY A 42 78.336 -6.254 -2.144 1.00 0.00 N ATOM 620 CA GLY A 42 78.438 -7.434 -1.291 1.00 0.00 C ATOM 621 C GLY A 42 79.473 -7.224 -0.190 1.00 0.00 C ATOM 622 O GLY A 42 79.753 -8.136 0.589 1.00 0.00 O ATOM 0 H GLY A 42 77.623 -5.584 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 42 77.467 -7.651 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 42 78.713 -8.300 -1.893 1.00 0.00 H new ATOM 626 N VAL A 43 80.040 -6.017 -0.127 1.00 0.00 N ATOM 627 CA VAL A 43 81.051 -5.689 0.887 1.00 0.00 C ATOM 628 C VAL A 43 80.505 -4.629 1.866 1.00 0.00 C ATOM 629 O VAL A 43 79.908 -3.648 1.419 1.00 0.00 O ATOM 630 CB VAL A 43 82.310 -5.141 0.192 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.523 -5.270 1.117 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.571 -5.933 -1.093 1.00 0.00 C ATOM 0 H VAL A 43 79.819 -5.251 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 43 81.298 -6.592 1.446 1.00 0.00 H new ATOM 0 HB VAL A 43 82.151 -4.089 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.407 -4.879 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.345 -4.704 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.681 -6.319 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.463 -5.545 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.720 -6.985 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.716 -5.834 -1.761 1.00 0.00 H new ATOM 642 N PRO A 44 80.681 -4.778 3.172 1.00 0.00 N ATOM 643 CA PRO A 44 80.163 -3.766 4.138 1.00 0.00 C ATOM 644 C PRO A 44 80.608 -2.357 3.732 1.00 0.00 C ATOM 645 O PRO A 44 81.746 -2.160 3.306 1.00 0.00 O ATOM 646 CB PRO A 44 80.765 -4.163 5.510 1.00 0.00 C ATOM 647 CG PRO A 44 81.605 -5.398 5.287 1.00 0.00 C ATOM 648 CD PRO A 44 81.349 -5.900 3.858 1.00 0.00 C ATOM 0 HA PRO A 44 79.074 -3.750 4.167 1.00 0.00 H new ATOM 0 HB2 PRO A 44 81.372 -3.352 5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.975 -4.360 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.662 -5.169 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.347 -6.169 6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.281 -6.167 3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 44 80.722 -6.791 3.859 1.00 0.00 H new ATOM 656 N LEU A 45 79.697 -1.388 3.845 1.00 0.00 N ATOM 657 CA LEU A 45 79.989 0.000 3.464 1.00 0.00 C ATOM 658 C LEU A 45 79.970 0.939 4.676 1.00 0.00 C ATOM 659 O LEU A 45 79.625 0.533 5.785 1.00 0.00 O ATOM 660 CB LEU A 45 78.974 0.440 2.382 1.00 0.00 C ATOM 661 CG LEU A 45 77.717 1.103 2.979 1.00 0.00 C ATOM 662 CD1 LEU A 45 76.761 1.439 1.834 1.00 0.00 C ATOM 663 CD2 LEU A 45 77.001 0.151 3.951 1.00 0.00 C ATOM 0 H LEU A 45 78.751 -1.536 4.197 1.00 0.00 H new ATOM 0 HA LEU A 45 80.998 0.056 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.458 1.138 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.677 -0.428 1.794 1.00 0.00 H new ATOM 0 HG LEU A 45 78.015 1.999 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.864 1.910 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.250 2.123 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 45 76.487 0.524 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.118 0.643 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 45 76.701 -0.753 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.676 -0.114 4.765 1.00 0.00 H new ATOM 675 N GLN A 46 80.344 2.201 4.444 1.00 0.00 N ATOM 676 CA GLN A 46 80.370 3.213 5.506 1.00 0.00 C ATOM 677 C GLN A 46 79.786 4.533 4.996 1.00 0.00 C ATOM 678 O GLN A 46 79.872 4.842 3.807 1.00 0.00 O ATOM 679 CB GLN A 46 81.812 3.432 5.984 1.00 0.00 C ATOM 680 CG GLN A 46 82.334 2.170 6.686 1.00 0.00 C ATOM 681 CD GLN A 46 81.525 1.895 7.950 1.00 0.00 C ATOM 682 OE1 GLN A 46 81.318 2.795 8.764 1.00 0.00 O ATOM 683 NE2 GLN A 46 81.052 0.696 8.166 1.00 0.00 N ATOM 0 H GLN A 46 80.633 2.547 3.529 1.00 0.00 H new ATOM 0 HA GLN A 46 79.765 2.860 6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.451 3.676 5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 46 81.852 4.280 6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.268 1.317 6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 46 83.387 2.296 6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 46 81.224 -0.049 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 46 80.511 0.505 9.009 1.00 0.00 H new ATOM 692 N ALA A 47 79.186 5.305 5.904 1.00 0.00 N ATOM 693 CA ALA A 47 78.582 6.587 5.534 1.00 0.00 C ATOM 694 C ALA A 47 79.651 7.569 5.064 1.00 0.00 C ATOM 695 O ALA A 47 80.066 8.456 5.809 1.00 0.00 O ATOM 696 CB ALA A 47 77.822 7.177 6.731 1.00 0.00 C ATOM 0 H ALA A 47 79.105 5.068 6.893 1.00 0.00 H new ATOM 0 HA ALA A 47 77.883 6.415 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.377 8.130 6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.036 6.487 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 47 78.513 7.333 7.559 1.00 0.00 H new ATOM 702 N ASN A 48 80.095 7.400 3.825 1.00 0.00 N ATOM 703 CA ASN A 48 81.121 8.272 3.268 1.00 0.00 C ATOM 704 C ASN A 48 80.564 9.666 2.992 1.00 0.00 C ATOM 705 O ASN A 48 79.384 9.935 3.221 1.00 0.00 O ATOM 706 CB ASN A 48 81.672 7.671 1.975 1.00 0.00 C ATOM 707 CG ASN A 48 81.904 6.174 2.156 1.00 0.00 C ATOM 708 OD1 ASN A 48 81.101 5.361 1.699 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.962 5.758 2.798 1.00 0.00 N ATOM 0 H ASN A 48 79.764 6.673 3.191 1.00 0.00 H new ATOM 0 HA ASN A 48 81.925 8.361 3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 48 80.973 7.843 1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 48 82.606 8.163 1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 48 83.124 4.758 2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 48 83.627 6.433 3.176 1.00 0.00 H new ATOM 716 N GLU A 49 81.428 10.549 2.502 1.00 0.00 N ATOM 717 CA GLU A 49 81.027 11.917 2.199 1.00 0.00 C ATOM 718 C GLU A 49 79.938 11.923 1.133 1.00 0.00 C ATOM 719 O GLU A 49 78.937 12.630 1.257 1.00 0.00 O ATOM 720 CB GLU A 49 82.237 12.720 1.702 1.00 0.00 C ATOM 721 CG GLU A 49 83.290 12.843 2.816 1.00 0.00 C ATOM 722 CD GLU A 49 84.153 11.583 2.880 1.00 0.00 C ATOM 723 OE1 GLU A 49 85.092 11.574 3.656 1.00 0.00 O ATOM 724 OE2 GLU A 49 83.868 10.651 2.148 1.00 0.00 O1- ATOM 0 H GLU A 49 82.408 10.342 2.307 1.00 0.00 H new ATOM 0 HA GLU A 49 80.638 12.376 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.674 12.231 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.918 13.712 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.920 13.713 2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.796 13.002 3.775 1.00 0.00 H new ATOM 731 N MET A 50 80.131 11.121 0.091 1.00 0.00 N ATOM 732 CA MET A 50 79.150 11.033 -0.987 1.00 0.00 C ATOM 733 C MET A 50 78.044 10.051 -0.610 1.00 0.00 C ATOM 734 O MET A 50 76.965 10.058 -1.203 1.00 0.00 O ATOM 735 CB MET A 50 79.836 10.586 -2.285 1.00 0.00 C ATOM 736 CG MET A 50 80.345 9.149 -2.136 1.00 0.00 C ATOM 737 SD MET A 50 81.414 8.732 -3.542 1.00 0.00 S ATOM 738 CE MET A 50 80.155 8.762 -4.846 1.00 0.00 C ATOM 0 H MET A 50 80.951 10.526 -0.031 1.00 0.00 H new ATOM 0 HA MET A 50 78.707 12.016 -1.144 1.00 0.00 H new ATOM 0 HB2 MET A 50 79.135 10.649 -3.117 1.00 0.00 H new ATOM 0 HB3 MET A 50 80.666 11.253 -2.517 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.898 9.043 -1.202 1.00 0.00 H new ATOM 0 HG3 MET A 50 79.504 8.458 -2.088 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.383 7.998 -5.589 1.00 0.00 H new ATOM 0 HE2 MET A 50 79.175 8.565 -4.411 1.00 0.00 H new ATOM 0 HE3 MET A 50 80.149 9.742 -5.324 1.00 0.00 H new ATOM 748 N ASN A 51 78.317 9.213 0.392 1.00 0.00 N ATOM 749 CA ASN A 51 77.341 8.226 0.864 1.00 0.00 C ATOM 750 C ASN A 51 76.906 8.552 2.290 1.00 0.00 C ATOM 751 O ASN A 51 77.654 8.319 3.239 1.00 0.00 O ATOM 752 CB ASN A 51 77.968 6.831 0.836 1.00 0.00 C ATOM 753 CG ASN A 51 78.435 6.507 -0.577 1.00 0.00 C ATOM 754 OD1 ASN A 51 77.770 6.867 -1.547 1.00 0.00 O ATOM 755 ND2 ASN A 51 79.546 5.850 -0.755 1.00 0.00 N ATOM 0 H ASN A 51 79.205 9.197 0.893 1.00 0.00 H new ATOM 0 HA ASN A 51 76.470 8.254 0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 51 78.810 6.786 1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 51 77.242 6.089 1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 51 79.865 5.634 -1.699 1.00 0.00 H new ATOM 0 HD22 ASN A 51 80.097 5.552 0.050 1.00 0.00 H new ATOM 762 N ASP A 52 75.689 9.085 2.441 1.00 0.00 N ATOM 763 CA ASP A 52 75.164 9.431 3.762 1.00 0.00 C ATOM 764 C ASP A 52 73.960 8.564 4.082 1.00 0.00 C ATOM 765 O ASP A 52 73.046 8.434 3.271 1.00 0.00 O ATOM 766 CB ASP A 52 74.754 10.905 3.801 1.00 0.00 C ATOM 767 CG ASP A 52 75.991 11.788 3.704 1.00 0.00 C ATOM 768 OD1 ASP A 52 75.830 12.992 3.596 1.00 0.00 O ATOM 769 OD2 ASP A 52 77.082 11.245 3.725 1.00 0.00 O1- ATOM 0 H ASP A 52 75.054 9.285 1.668 1.00 0.00 H new ATOM 0 HA ASP A 52 75.945 9.258 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.074 11.125 2.978 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.216 11.118 4.725 1.00 0.00 H new ATOM 774 N ILE A 53 73.970 7.966 5.268 1.00 0.00 N ATOM 775 CA ILE A 53 72.878 7.096 5.699 1.00 0.00 C ATOM 776 C ILE A 53 72.315 7.604 7.019 1.00 0.00 C ATOM 777 O ILE A 53 73.070 7.934 7.934 1.00 0.00 O ATOM 778 CB ILE A 53 73.397 5.668 5.872 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.084 5.223 4.581 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.229 4.721 6.155 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.582 3.786 4.736 1.00 0.00 C ATOM 0 H ILE A 53 74.722 8.067 5.950 1.00 0.00 H new ATOM 0 HA ILE A 53 72.090 7.101 4.946 1.00 0.00 H new ATOM 0 HB ILE A 53 74.101 5.642 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.388 5.289 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 53 74.919 5.886 4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 53 72.605 3.705 6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 53 71.721 5.032 7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 53 71.527 4.750 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.072 3.469 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.292 3.734 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 53 73.737 3.129 4.942 1.00 0.00 H new ATOM 793 N THR A 54 70.987 7.675 7.120 1.00 0.00 N ATOM 794 CA THR A 54 70.350 8.154 8.350 1.00 0.00 C ATOM 795 C THR A 54 69.146 7.292 8.706 1.00 0.00 C ATOM 796 O THR A 54 68.524 6.679 7.836 1.00 0.00 O ATOM 797 CB THR A 54 69.913 9.612 8.181 1.00 0.00 C ATOM 798 OG1 THR A 54 69.184 10.020 9.330 1.00 0.00 O ATOM 799 CG2 THR A 54 69.031 9.749 6.940 1.00 0.00 C ATOM 0 H THR A 54 70.339 7.412 6.378 1.00 0.00 H new ATOM 0 HA THR A 54 71.076 8.087 9.160 1.00 0.00 H new ATOM 0 HB THR A 54 70.795 10.242 8.063 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.904 10.953 9.226 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.723 10.788 6.825 1.00 0.00 H new ATOM 0 HG22 THR A 54 69.592 9.437 6.059 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.148 9.119 7.050 1.00 0.00 H new ATOM 807 N VAL A 55 68.831 7.245 10.002 1.00 0.00 N ATOM 808 CA VAL A 55 67.707 6.452 10.501 1.00 0.00 C ATOM 809 C VAL A 55 66.600 7.371 11.021 1.00 0.00 C ATOM 810 O VAL A 55 66.861 8.307 11.778 1.00 0.00 O ATOM 811 CB VAL A 55 68.195 5.530 11.627 1.00 0.00 C ATOM 812 CG1 VAL A 55 66.999 4.865 12.321 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.110 4.454 11.036 1.00 0.00 C ATOM 0 H VAL A 55 69.341 7.749 10.727 1.00 0.00 H new ATOM 0 HA VAL A 55 67.304 5.850 9.687 1.00 0.00 H new ATOM 0 HB VAL A 55 68.745 6.119 12.361 1.00 0.00 H new ATOM 0 HG11 VAL A 55 67.357 4.213 13.118 1.00 0.00 H new ATOM 0 HG12 VAL A 55 66.351 5.633 12.744 1.00 0.00 H new ATOM 0 HG13 VAL A 55 66.438 4.276 11.595 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.459 3.796 11.832 1.00 0.00 H new ATOM 0 HG22 VAL A 55 68.557 3.871 10.300 1.00 0.00 H new ATOM 0 HG23 VAL A 55 69.966 4.928 10.555 1.00 0.00 H new ATOM 823 N GLU A 56 65.365 7.099 10.600 1.00 0.00 N ATOM 824 CA GLU A 56 64.209 7.902 11.011 1.00 0.00 C ATOM 825 C GLU A 56 63.328 7.129 11.989 1.00 0.00 C ATOM 826 O GLU A 56 63.427 5.908 12.101 1.00 0.00 O ATOM 827 CB GLU A 56 63.402 8.293 9.771 1.00 0.00 C ATOM 828 CG GLU A 56 64.213 9.289 8.935 1.00 0.00 C ATOM 829 CD GLU A 56 64.306 10.625 9.666 1.00 0.00 C ATOM 830 OE1 GLU A 56 63.462 10.871 10.514 1.00 0.00 O ATOM 831 OE2 GLU A 56 65.219 11.379 9.374 1.00 0.00 O1- ATOM 0 H GLU A 56 65.137 6.327 9.973 1.00 0.00 H new ATOM 0 HA GLU A 56 64.564 8.800 11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.170 7.407 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.451 8.737 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.212 8.894 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.742 9.429 7.962 1.00 0.00 H new ATOM 838 N GLN A 57 62.478 7.854 12.708 1.00 0.00 N ATOM 839 CA GLN A 57 61.590 7.240 13.691 1.00 0.00 C ATOM 840 C GLN A 57 60.847 6.058 13.084 1.00 0.00 C ATOM 841 O GLN A 57 60.586 6.033 11.883 1.00 0.00 O ATOM 842 CB GLN A 57 60.576 8.269 14.178 1.00 0.00 C ATOM 843 CG GLN A 57 59.726 7.667 15.300 1.00 0.00 C ATOM 844 CD GLN A 57 58.857 8.747 15.934 1.00 0.00 C ATOM 845 OE1 GLN A 57 59.172 9.933 15.839 1.00 0.00 O ATOM 846 NE2 GLN A 57 57.773 8.407 16.578 1.00 0.00 N ATOM 0 H GLN A 57 62.384 8.867 12.629 1.00 0.00 H new ATOM 0 HA GLN A 57 62.195 6.886 14.526 1.00 0.00 H new ATOM 0 HB2 GLN A 57 61.092 9.160 14.537 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.937 8.582 13.353 1.00 0.00 H new ATOM 0 HG2 GLN A 57 59.098 6.870 14.903 1.00 0.00 H new ATOM 0 HG3 GLN A 57 60.371 7.218 16.055 1.00 0.00 H new ATOM 0 HE21 GLN A 57 57.513 7.424 16.656 1.00 0.00 H new ATOM 0 HE22 GLN A 57 57.186 9.125 17.003 1.00 0.00 H new ATOM 855 N GLY A 58 60.506 5.084 13.923 1.00 0.00 N ATOM 856 CA GLY A 58 59.784 3.901 13.460 1.00 0.00 C ATOM 857 C GLY A 58 60.734 2.902 12.811 1.00 0.00 C ATOM 858 O GLY A 58 60.301 1.960 12.148 1.00 0.00 O ATOM 0 H GLY A 58 60.716 5.089 14.921 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.273 3.430 14.300 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.016 4.196 12.745 1.00 0.00 H new ATOM 862 N THR A 59 62.028 3.117 13.007 1.00 0.00 N ATOM 863 CA THR A 59 63.035 2.235 12.434 1.00 0.00 C ATOM 864 C THR A 59 63.050 2.353 10.911 1.00 0.00 C ATOM 865 O THR A 59 63.432 1.413 10.207 1.00 0.00 O ATOM 866 CB THR A 59 62.770 0.779 12.853 1.00 0.00 C ATOM 867 OG1 THR A 59 62.198 0.758 14.151 1.00 0.00 O ATOM 868 CG2 THR A 59 64.084 -0.012 12.853 1.00 0.00 C ATOM 0 H THR A 59 62.403 3.891 13.556 1.00 0.00 H new ATOM 0 HA THR A 59 64.012 2.537 12.813 1.00 0.00 H new ATOM 0 HB THR A 59 62.080 0.320 12.145 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.027 -0.169 14.418 1.00 0.00 H new ATOM 0 HG21 THR A 59 63.889 -1.042 13.151 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.516 0.001 11.853 1.00 0.00 H new ATOM 0 HG23 THR A 59 64.782 0.442 13.556 1.00 0.00 H new ATOM 876 N LEU A 60 62.635 3.512 10.408 1.00 0.00 N ATOM 877 CA LEU A 60 62.621 3.735 8.967 1.00 0.00 C ATOM 878 C LEU A 60 64.037 4.025 8.465 1.00 0.00 C ATOM 879 O LEU A 60 64.788 4.780 9.085 1.00 0.00 O ATOM 880 CB LEU A 60 61.675 4.899 8.628 1.00 0.00 C ATOM 881 CG LEU A 60 60.245 4.375 8.445 1.00 0.00 C ATOM 882 CD1 LEU A 60 59.788 3.637 9.705 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.306 5.550 8.168 1.00 0.00 C ATOM 0 H LEU A 60 62.309 4.300 10.967 1.00 0.00 H new ATOM 0 HA LEU A 60 62.259 2.836 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 60 61.700 5.643 9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.008 5.396 7.717 1.00 0.00 H new ATOM 0 HG LEU A 60 60.223 3.682 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.772 3.270 9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.454 2.796 9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 60 59.812 4.319 10.555 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.289 5.180 8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 60 59.335 6.244 9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 60 59.624 6.064 7.261 1.00 0.00 H new ATOM 895 N HIS A 61 64.393 3.407 7.338 1.00 0.00 N ATOM 896 CA HIS A 61 65.721 3.580 6.741 1.00 0.00 C ATOM 897 C HIS A 61 65.634 4.487 5.512 1.00 0.00 C ATOM 898 O HIS A 61 64.592 4.565 4.860 1.00 0.00 O ATOM 899 CB HIS A 61 66.272 2.197 6.337 1.00 0.00 C ATOM 900 CG HIS A 61 67.787 2.168 6.348 1.00 0.00 C ATOM 901 ND1 HIS A 61 68.486 0.993 6.111 1.00 0.00 N ATOM 902 CD2 HIS A 61 68.749 3.133 6.560 1.00 0.00 C ATOM 903 CE1 HIS A 61 69.798 1.275 6.184 1.00 0.00 C ATOM 904 NE2 HIS A 61 70.014 2.564 6.455 1.00 0.00 N ATOM 0 H HIS A 61 63.779 2.780 6.818 1.00 0.00 H new ATOM 0 HA HIS A 61 66.388 4.045 7.467 1.00 0.00 H new ATOM 0 HB2 HIS A 61 65.889 1.440 7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 61 65.911 1.939 5.341 1.00 0.00 H new ATOM 0 HD1 HIS A 61 68.077 0.079 5.916 1.00 0.00 H new ATOM 0 HD2 HIS A 61 68.550 4.173 6.775 1.00 0.00 H new ATOM 0 HE1 HIS A 61 70.583 0.547 6.041 1.00 0.00 H new ATOM 912 N LEU A 62 66.734 5.165 5.200 1.00 0.00 N ATOM 913 CA LEU A 62 66.780 6.058 4.050 1.00 0.00 C ATOM 914 C LEU A 62 68.205 6.162 3.530 1.00 0.00 C ATOM 915 O LEU A 62 69.082 6.742 4.184 1.00 0.00 O ATOM 916 CB LEU A 62 66.249 7.442 4.446 1.00 0.00 C ATOM 917 CG LEU A 62 66.531 8.467 3.338 1.00 0.00 C ATOM 918 CD1 LEU A 62 66.033 7.933 1.987 1.00 0.00 C ATOM 919 CD2 LEU A 62 65.799 9.768 3.675 1.00 0.00 C ATOM 0 H LEU A 62 67.605 5.112 5.728 1.00 0.00 H new ATOM 0 HA LEU A 62 66.150 5.656 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.177 7.386 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 62 66.718 7.765 5.375 1.00 0.00 H new ATOM 0 HG LEU A 62 67.604 8.647 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.238 8.667 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 62 66.548 7.001 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 62 64.960 7.751 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 62 65.991 10.506 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 62 64.728 9.577 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 62 66.157 10.149 4.631 1.00 0.00 H new ATOM 931 N LEU A 63 68.427 5.596 2.346 1.00 0.00 N ATOM 932 CA LEU A 63 69.738 5.628 1.724 1.00 0.00 C ATOM 933 C LEU A 63 69.861 6.927 0.940 1.00 0.00 C ATOM 934 O LEU A 63 69.231 7.080 -0.106 1.00 0.00 O ATOM 935 CB LEU A 63 69.875 4.414 0.784 1.00 0.00 C ATOM 936 CG LEU A 63 71.349 4.087 0.449 1.00 0.00 C ATOM 937 CD1 LEU A 63 72.165 5.359 0.191 1.00 0.00 C ATOM 938 CD2 LEU A 63 71.987 3.287 1.593 1.00 0.00 C ATOM 0 H LEU A 63 67.713 5.111 1.802 1.00 0.00 H new ATOM 0 HA LEU A 63 70.528 5.581 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 63 69.410 3.545 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 63 69.331 4.611 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 63 71.355 3.490 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 63 73.195 5.089 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 63 71.734 5.903 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.146 5.990 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 63 73.025 3.063 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.951 3.873 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 63 71.439 2.356 1.736 1.00 0.00 H new ATOM 950 N THR A 64 70.660 7.868 1.437 1.00 0.00 N ATOM 951 CA THR A 64 70.823 9.146 0.748 1.00 0.00 C ATOM 952 C THR A 64 72.114 9.151 -0.053 1.00 0.00 C ATOM 953 O THR A 64 73.194 9.359 0.493 1.00 0.00 O ATOM 954 CB THR A 64 70.840 10.290 1.767 1.00 0.00 C ATOM 955 OG1 THR A 64 69.655 10.240 2.547 1.00 0.00 O ATOM 956 CG2 THR A 64 70.906 11.630 1.036 1.00 0.00 C ATOM 0 H THR A 64 71.197 7.774 2.299 1.00 0.00 H new ATOM 0 HA THR A 64 69.984 9.286 0.066 1.00 0.00 H new ATOM 0 HB THR A 64 71.712 10.187 2.413 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.663 10.969 3.201 1.00 0.00 H new ATOM 0 HG21 THR A 64 70.918 12.441 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.813 11.671 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.035 11.735 0.390 1.00 0.00 H new ATOM 964 N LEU A 65 71.989 8.915 -1.358 1.00 0.00 N ATOM 965 CA LEU A 65 73.154 8.890 -2.253 1.00 0.00 C ATOM 966 C LEU A 65 73.127 10.090 -3.198 1.00 0.00 C ATOM 967 O LEU A 65 72.180 10.265 -3.966 1.00 0.00 O ATOM 968 CB LEU A 65 73.154 7.580 -3.058 1.00 0.00 C ATOM 969 CG LEU A 65 74.325 7.552 -4.053 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.654 7.793 -3.321 1.00 0.00 C ATOM 971 CD2 LEU A 65 74.369 6.179 -4.737 1.00 0.00 C ATOM 0 H LEU A 65 71.098 8.738 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 65 74.064 8.946 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 65 73.227 6.730 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 65 72.211 7.478 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 65 74.181 8.338 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.474 7.770 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.628 8.766 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.804 7.014 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 65 75.198 6.151 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 65 74.508 5.402 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 65 73.433 6.007 -5.268 1.00 0.00 H new ATOM 983 N HIS A 66 74.176 10.917 -3.136 1.00 0.00 N ATOM 984 CA HIS A 66 74.272 12.106 -3.988 1.00 0.00 C ATOM 985 C HIS A 66 75.695 12.264 -4.514 1.00 0.00 C ATOM 986 O HIS A 66 76.586 11.493 -4.158 1.00 0.00 O ATOM 987 CB HIS A 66 73.874 13.356 -3.198 1.00 0.00 C ATOM 988 CG HIS A 66 73.636 14.497 -4.151 1.00 0.00 C ATOM 989 ND1 HIS A 66 72.869 14.351 -5.297 1.00 0.00 N ATOM 990 CD2 HIS A 66 74.058 15.804 -4.148 1.00 0.00 C ATOM 991 CE1 HIS A 66 72.854 15.538 -5.930 1.00 0.00 C ATOM 992 NE2 HIS A 66 73.565 16.460 -5.271 1.00 0.00 N ATOM 0 H HIS A 66 74.968 10.785 -2.507 1.00 0.00 H new ATOM 0 HA HIS A 66 73.591 11.984 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 66 72.973 13.160 -2.616 1.00 0.00 H new ATOM 0 HB3 HIS A 66 74.660 13.617 -2.490 1.00 0.00 H new ATOM 0 HD1 HIS A 66 72.401 13.498 -5.604 1.00 0.00 H new ATOM 0 HD2 HIS A 66 74.679 16.255 -3.388 1.00 0.00 H new ATOM 0 HE1 HIS A 66 72.332 15.724 -6.857 1.00 0.00 H new ATOM 1000 N LYS A 67 75.897 13.255 -5.378 1.00 0.00 N ATOM 1001 CA LYS A 67 77.214 13.487 -5.959 1.00 0.00 C ATOM 1002 C LYS A 67 77.709 12.213 -6.629 1.00 0.00 C ATOM 1003 O LYS A 67 78.771 11.691 -6.288 1.00 0.00 O ATOM 1004 CB LYS A 67 78.210 13.922 -4.879 1.00 0.00 C ATOM 1005 CG LYS A 67 77.831 15.310 -4.360 1.00 0.00 C ATOM 1006 CD LYS A 67 78.864 15.772 -3.330 1.00 0.00 C ATOM 1007 CE LYS A 67 78.487 17.163 -2.822 1.00 0.00 C ATOM 1008 NZ LYS A 67 77.179 17.092 -2.116 1.00 0.00 N1+ ATOM 0 H LYS A 67 75.173 13.904 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 67 77.134 14.283 -6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 67 78.210 13.204 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 67 79.220 13.939 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 67 77.785 16.019 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 67 76.839 15.282 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 67 78.905 15.068 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 67 79.857 15.793 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 67 79.257 17.537 -2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 67 78.426 17.863 -3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 77.076 17.917 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 76.408 17.088 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 77.138 16.221 -1.549 1.00 0.00 H new ATOM 1022 N VAL A 68 76.919 11.707 -7.575 1.00 0.00 N ATOM 1023 CA VAL A 68 77.264 10.474 -8.288 1.00 0.00 C ATOM 1024 C VAL A 68 77.673 10.757 -9.725 1.00 0.00 C ATOM 1025 O VAL A 68 77.280 11.762 -10.319 1.00 0.00 O ATOM 1026 CB VAL A 68 76.062 9.527 -8.312 1.00 0.00 C ATOM 1027 CG1 VAL A 68 75.697 9.107 -6.890 1.00 0.00 C ATOM 1028 CG2 VAL A 68 74.868 10.231 -8.965 1.00 0.00 C ATOM 0 H VAL A 68 76.037 12.129 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 68 78.102 10.019 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 68 76.320 8.638 -8.888 1.00 0.00 H new ATOM 0 HG11 VAL A 68 74.841 8.433 -6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 68 76.545 8.597 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.445 9.990 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.012 9.556 -8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 68 74.615 11.124 -8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.126 10.515 -9.985 1.00 0.00 H new ATOM 1038 N THR A 69 78.447 9.831 -10.281 1.00 0.00 N ATOM 1039 CA THR A 69 78.910 9.922 -11.662 1.00 0.00 C ATOM 1040 C THR A 69 78.750 8.559 -12.321 1.00 0.00 C ATOM 1041 O THR A 69 77.853 7.794 -11.966 1.00 0.00 O ATOM 1042 CB THR A 69 80.377 10.359 -11.728 1.00 0.00 C ATOM 1043 OG1 THR A 69 81.203 9.326 -11.214 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.576 11.635 -10.908 1.00 0.00 C ATOM 0 H THR A 69 78.771 8.998 -9.789 1.00 0.00 H new ATOM 0 HA THR A 69 78.315 10.670 -12.185 1.00 0.00 H new ATOM 0 HB THR A 69 80.647 10.556 -12.765 1.00 0.00 H new ATOM 0 HG1 THR A 69 82.141 9.529 -11.410 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.621 11.941 -10.959 1.00 0.00 H new ATOM 0 HG22 THR A 69 79.946 12.428 -11.310 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.303 11.446 -9.870 1.00 0.00 H new ATOM 1052 N LEU A 70 79.618 8.253 -13.273 1.00 0.00 N ATOM 1053 CA LEU A 70 79.545 6.969 -13.958 1.00 0.00 C ATOM 1054 C LEU A 70 79.623 5.836 -12.938 1.00 0.00 C ATOM 1055 O LEU A 70 79.156 4.725 -13.190 1.00 0.00 O ATOM 1056 CB LEU A 70 80.697 6.848 -14.968 1.00 0.00 C ATOM 1057 CG LEU A 70 80.386 7.672 -16.235 1.00 0.00 C ATOM 1058 CD1 LEU A 70 81.691 8.045 -16.946 1.00 0.00 C ATOM 1059 CD2 LEU A 70 79.521 6.850 -17.204 1.00 0.00 C ATOM 0 H LEU A 70 80.371 8.865 -13.586 1.00 0.00 H new ATOM 0 HA LEU A 70 78.598 6.902 -14.494 1.00 0.00 H new ATOM 0 HB2 LEU A 70 81.625 7.199 -14.516 1.00 0.00 H new ATOM 0 HB3 LEU A 70 80.848 5.802 -15.234 1.00 0.00 H new ATOM 0 HG LEU A 70 79.850 8.573 -15.937 1.00 0.00 H new ATOM 0 HD11 LEU A 70 81.465 8.627 -17.840 1.00 0.00 H new ATOM 0 HD12 LEU A 70 82.314 8.637 -16.276 1.00 0.00 H new ATOM 0 HD13 LEU A 70 82.223 7.137 -17.229 1.00 0.00 H new ATOM 0 HD21 LEU A 70 79.308 7.442 -18.094 1.00 0.00 H new ATOM 0 HD22 LEU A 70 80.056 5.944 -17.490 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.585 6.580 -16.716 1.00 0.00 H new ATOM 1071 N GLU A 71 80.209 6.133 -11.783 1.00 0.00 N ATOM 1072 CA GLU A 71 80.339 5.143 -10.720 1.00 0.00 C ATOM 1073 C GLU A 71 78.985 4.857 -10.082 1.00 0.00 C ATOM 1074 O GLU A 71 78.880 4.030 -9.175 1.00 0.00 O ATOM 1075 CB GLU A 71 81.313 5.644 -9.651 1.00 0.00 C ATOM 1076 CG GLU A 71 82.737 5.706 -10.222 1.00 0.00 C ATOM 1077 CD GLU A 71 82.920 6.971 -11.053 1.00 0.00 C ATOM 1078 OE1 GLU A 71 83.343 7.968 -10.492 1.00 0.00 O ATOM 1079 OE2 GLU A 71 82.633 6.927 -12.237 1.00 0.00 O1- ATOM 0 H GLU A 71 80.600 7.048 -11.559 1.00 0.00 H new ATOM 0 HA GLU A 71 80.723 4.221 -11.157 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.008 6.632 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.288 4.981 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.463 5.689 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.927 4.827 -10.838 1.00 0.00 H new ATOM 1086 N ASP A 72 77.947 5.541 -10.555 1.00 0.00 N ATOM 1087 CA ASP A 72 76.612 5.339 -10.009 1.00 0.00 C ATOM 1088 C ASP A 72 76.220 3.873 -10.125 1.00 0.00 C ATOM 1089 O ASP A 72 75.616 3.306 -9.215 1.00 0.00 O ATOM 1090 CB ASP A 72 75.593 6.198 -10.762 1.00 0.00 C ATOM 1091 CG ASP A 72 74.226 6.083 -10.097 1.00 0.00 C ATOM 1092 OD1 ASP A 72 73.416 6.974 -10.289 1.00 0.00 O ATOM 1093 OD2 ASP A 72 74.007 5.101 -9.404 1.00 0.00 O1- ATOM 0 H ASP A 72 78.004 6.230 -11.305 1.00 0.00 H new ATOM 0 HA ASP A 72 76.619 5.632 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 72 75.917 7.239 -10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 72 75.530 5.876 -11.801 1.00 0.00 H new ATOM 1098 N ALA A 73 76.577 3.261 -11.248 1.00 0.00 N ATOM 1099 CA ALA A 73 76.262 1.857 -11.471 1.00 0.00 C ATOM 1100 C ALA A 73 76.811 0.997 -10.340 1.00 0.00 C ATOM 1101 O ALA A 73 77.851 1.304 -9.758 1.00 0.00 O ATOM 1102 CB ALA A 73 76.855 1.382 -12.796 1.00 0.00 C ATOM 0 H ALA A 73 77.081 3.711 -12.012 1.00 0.00 H new ATOM 0 HA ALA A 73 75.177 1.757 -11.503 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.611 0.331 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.440 1.973 -13.613 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.938 1.503 -12.774 1.00 0.00 H new ATOM 1108 N GLY A 74 76.097 -0.079 -10.037 1.00 0.00 N ATOM 1109 CA GLY A 74 76.505 -0.986 -8.974 1.00 0.00 C ATOM 1110 C GLY A 74 75.408 -2.005 -8.699 1.00 0.00 C ATOM 1111 O GLY A 74 74.523 -2.216 -9.528 1.00 0.00 O ATOM 0 H GLY A 74 75.234 -0.344 -10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.424 -1.499 -9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 74 76.721 -0.421 -8.067 1.00 0.00 H new ATOM 1115 N THR A 75 75.467 -2.631 -7.530 1.00 0.00 N ATOM 1116 CA THR A 75 74.468 -3.626 -7.149 1.00 0.00 C ATOM 1117 C THR A 75 74.350 -3.703 -5.631 1.00 0.00 C ATOM 1118 O THR A 75 75.255 -4.190 -4.954 1.00 0.00 O ATOM 1119 CB THR A 75 74.860 -4.999 -7.701 1.00 0.00 C ATOM 1120 OG1 THR A 75 74.964 -4.927 -9.116 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.794 -6.025 -7.320 1.00 0.00 C ATOM 0 H THR A 75 76.192 -2.469 -6.831 1.00 0.00 H new ATOM 0 HA THR A 75 73.506 -3.329 -7.566 1.00 0.00 H new ATOM 0 HB THR A 75 75.820 -5.300 -7.280 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.217 -5.805 -9.471 1.00 0.00 H new ATOM 0 HG21 THR A 75 74.073 -7.003 -7.713 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.713 -6.080 -6.234 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.834 -5.725 -7.740 1.00 0.00 H new ATOM 1129 N VAL A 76 73.230 -3.218 -5.104 1.00 0.00 N ATOM 1130 CA VAL A 76 73.006 -3.234 -3.662 1.00 0.00 C ATOM 1131 C VAL A 76 72.538 -4.614 -3.207 1.00 0.00 C ATOM 1132 O VAL A 76 71.686 -5.229 -3.847 1.00 0.00 O ATOM 1133 CB VAL A 76 71.952 -2.191 -3.286 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.439 -0.796 -3.684 1.00 0.00 C ATOM 1135 CG2 VAL A 76 70.646 -2.500 -4.021 1.00 0.00 C ATOM 0 H VAL A 76 72.469 -2.812 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 76 73.947 -2.998 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 76 71.784 -2.221 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.685 -0.057 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 76 73.369 -0.573 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 76 72.610 -0.764 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.894 -1.758 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.818 -2.471 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.294 -3.492 -3.736 1.00 0.00 H new ATOM 1145 N SER A 77 73.098 -5.094 -2.097 1.00 0.00 N ATOM 1146 CA SER A 77 72.725 -6.406 -1.560 1.00 0.00 C ATOM 1147 C SER A 77 72.750 -6.397 -0.038 1.00 0.00 C ATOM 1148 O SER A 77 73.582 -5.732 0.579 1.00 0.00 O ATOM 1149 CB SER A 77 73.688 -7.484 -2.057 1.00 0.00 C ATOM 1150 OG SER A 77 73.223 -8.757 -1.624 1.00 0.00 O ATOM 0 H SER A 77 73.806 -4.600 -1.554 1.00 0.00 H new ATOM 0 HA SER A 77 71.715 -6.625 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 77 73.754 -7.457 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.691 -7.299 -1.672 1.00 0.00 H new ATOM 0 HG SER A 77 73.835 -9.454 -1.941 1.00 0.00 H new ATOM 1156 N PHE A 78 71.838 -7.157 0.558 1.00 0.00 N ATOM 1157 CA PHE A 78 71.759 -7.260 2.012 1.00 0.00 C ATOM 1158 C PHE A 78 71.223 -8.630 2.411 1.00 0.00 C ATOM 1159 O PHE A 78 70.480 -9.258 1.655 1.00 0.00 O ATOM 1160 CB PHE A 78 70.861 -6.153 2.569 1.00 0.00 C ATOM 1161 CG PHE A 78 69.523 -6.179 1.872 1.00 0.00 C ATOM 1162 CD1 PHE A 78 69.329 -5.420 0.712 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.474 -6.949 2.388 1.00 0.00 C ATOM 1164 CE1 PHE A 78 68.088 -5.430 0.067 1.00 0.00 C ATOM 1165 CE2 PHE A 78 67.232 -6.961 1.741 1.00 0.00 C ATOM 1166 CZ PHE A 78 67.040 -6.200 0.581 1.00 0.00 C ATOM 0 H PHE A 78 71.143 -7.711 0.058 1.00 0.00 H new ATOM 0 HA PHE A 78 72.758 -7.141 2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.725 -6.288 3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 78 71.336 -5.182 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 78 70.139 -4.826 0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 78 68.622 -7.533 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 78 67.939 -4.843 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.423 -7.557 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 78 66.082 -6.208 0.083 1.00 0.00 H new ATOM 1176 N HIS A 79 71.617 -9.100 3.595 1.00 0.00 N ATOM 1177 CA HIS A 79 71.181 -10.416 4.079 1.00 0.00 C ATOM 1178 C HIS A 79 70.745 -10.342 5.540 1.00 0.00 C ATOM 1179 O HIS A 79 71.454 -9.788 6.382 1.00 0.00 O ATOM 1180 CB HIS A 79 72.331 -11.415 3.941 1.00 0.00 C ATOM 1181 CG HIS A 79 71.894 -12.763 4.442 1.00 0.00 C ATOM 1182 ND1 HIS A 79 71.279 -13.693 3.621 1.00 0.00 N ATOM 1183 CD2 HIS A 79 71.973 -13.350 5.681 1.00 0.00 C ATOM 1184 CE1 HIS A 79 71.014 -14.781 4.367 1.00 0.00 C ATOM 1185 NE2 HIS A 79 71.416 -14.625 5.631 1.00 0.00 N ATOM 0 H HIS A 79 72.232 -8.596 4.234 1.00 0.00 H new ATOM 0 HA HIS A 79 70.330 -10.741 3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 79 72.640 -11.487 2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 79 73.196 -11.069 4.507 1.00 0.00 H new ATOM 0 HD2 HIS A 79 72.402 -12.892 6.560 1.00 0.00 H new ATOM 0 HE1 HIS A 79 70.535 -15.672 3.990 1.00 0.00 H new ATOM 0 HE2 HIS A 79 71.333 -15.296 6.395 1.00 0.00 H new ATOM 1193 N VAL A 80 69.569 -10.903 5.829 1.00 0.00 N ATOM 1194 CA VAL A 80 69.021 -10.904 7.193 1.00 0.00 C ATOM 1195 C VAL A 80 68.634 -12.327 7.607 1.00 0.00 C ATOM 1196 O VAL A 80 67.959 -13.036 6.859 1.00 0.00 O ATOM 1197 CB VAL A 80 67.794 -9.979 7.244 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.509 -9.528 8.684 1.00 0.00 C ATOM 1199 CG2 VAL A 80 68.055 -8.757 6.353 1.00 0.00 C ATOM 0 H VAL A 80 68.975 -11.363 5.139 1.00 0.00 H new ATOM 0 HA VAL A 80 69.777 -10.540 7.889 1.00 0.00 H new ATOM 0 HB VAL A 80 66.922 -10.523 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.637 -8.875 8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.316 -10.401 9.307 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.372 -8.988 9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 80 67.190 -8.094 6.382 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.934 -8.223 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.227 -9.084 5.328 1.00 0.00 H new ATOM 1209 N GLY A 81 69.075 -12.739 8.794 1.00 0.00 N ATOM 1210 CA GLY A 81 68.784 -14.083 9.293 1.00 0.00 C ATOM 1211 C GLY A 81 67.356 -14.511 8.967 1.00 0.00 C ATOM 1212 O GLY A 81 67.048 -15.701 8.943 1.00 0.00 O ATOM 0 H GLY A 81 69.633 -12.165 9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.485 -14.793 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 81 68.934 -14.111 10.372 1.00 0.00 H new ATOM 1216 N THR A 82 66.487 -13.536 8.713 1.00 0.00 N ATOM 1217 CA THR A 82 65.092 -13.830 8.386 1.00 0.00 C ATOM 1218 C THR A 82 64.934 -14.032 6.883 1.00 0.00 C ATOM 1219 O THR A 82 64.735 -15.152 6.414 1.00 0.00 O ATOM 1220 CB THR A 82 64.197 -12.679 8.847 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.757 -11.445 8.417 1.00 0.00 O ATOM 1222 CG2 THR A 82 64.098 -12.693 10.375 1.00 0.00 C ATOM 0 H THR A 82 66.720 -12.543 8.727 1.00 0.00 H new ATOM 0 HA THR A 82 64.797 -14.745 8.899 1.00 0.00 H new ATOM 0 HB THR A 82 63.202 -12.795 8.418 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.801 -10.824 9.174 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.460 -11.873 10.706 1.00 0.00 H new ATOM 0 HG22 THR A 82 63.671 -13.640 10.703 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.093 -12.575 10.805 1.00 0.00 H new ATOM 1230 N CYS A 83 65.032 -12.938 6.133 1.00 0.00 N ATOM 1231 CA CYS A 83 64.907 -12.992 4.673 1.00 0.00 C ATOM 1232 C CYS A 83 66.049 -12.212 4.023 1.00 0.00 C ATOM 1233 O CYS A 83 66.679 -11.371 4.663 1.00 0.00 O ATOM 1234 CB CYS A 83 63.557 -12.405 4.241 1.00 0.00 C ATOM 1235 SG CYS A 83 63.087 -13.095 2.635 1.00 0.00 S ATOM 0 H CYS A 83 65.197 -12.004 6.508 1.00 0.00 H new ATOM 0 HA CYS A 83 64.960 -14.032 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 83 62.794 -12.634 4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.624 -11.319 4.177 1.00 0.00 H new ATOM 0 HG CYS A 83 61.942 -12.600 2.268 1.00 0.00 H new ATOM 1241 N SER A 84 66.311 -12.499 2.750 1.00 0.00 N ATOM 1242 CA SER A 84 67.381 -11.823 2.014 1.00 0.00 C ATOM 1243 C SER A 84 66.882 -11.389 0.645 1.00 0.00 C ATOM 1244 O SER A 84 65.938 -11.968 0.109 1.00 0.00 O ATOM 1245 CB SER A 84 68.577 -12.758 1.856 1.00 0.00 C ATOM 1246 OG SER A 84 68.970 -13.230 3.138 1.00 0.00 O ATOM 0 H SER A 84 65.799 -13.194 2.206 1.00 0.00 H new ATOM 0 HA SER A 84 67.689 -10.941 2.575 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.316 -13.596 1.210 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.404 -12.233 1.379 1.00 0.00 H new ATOM 0 HG SER A 84 69.948 -13.273 3.185 1.00 0.00 H new ATOM 1252 N SER A 85 67.508 -10.362 0.085 1.00 0.00 N ATOM 1253 CA SER A 85 67.096 -9.864 -1.222 1.00 0.00 C ATOM 1254 C SER A 85 68.204 -9.044 -1.876 1.00 0.00 C ATOM 1255 O SER A 85 69.133 -8.583 -1.210 1.00 0.00 O ATOM 1256 CB SER A 85 65.831 -9.018 -1.059 1.00 0.00 C ATOM 1257 OG SER A 85 64.697 -9.873 -1.061 1.00 0.00 O ATOM 0 H SER A 85 68.291 -9.863 0.507 1.00 0.00 H new ATOM 0 HA SER A 85 66.889 -10.713 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.874 -8.453 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.757 -8.293 -1.869 1.00 0.00 H new ATOM 0 HG SER A 85 64.959 -10.765 -0.750 1.00 0.00 H new ATOM 1263 N GLU A 86 68.091 -8.868 -3.192 1.00 0.00 N ATOM 1264 CA GLU A 86 69.076 -8.106 -3.951 1.00 0.00 C ATOM 1265 C GLU A 86 68.393 -7.301 -5.052 1.00 0.00 C ATOM 1266 O GLU A 86 67.357 -7.703 -5.581 1.00 0.00 O ATOM 1267 CB GLU A 86 70.094 -9.063 -4.572 1.00 0.00 C ATOM 1268 CG GLU A 86 71.183 -8.268 -5.292 1.00 0.00 C ATOM 1269 CD GLU A 86 72.219 -9.224 -5.870 1.00 0.00 C ATOM 1270 OE1 GLU A 86 72.228 -10.374 -5.460 1.00 0.00 O ATOM 1271 OE2 GLU A 86 72.984 -8.794 -6.719 1.00 0.00 O1- ATOM 0 H GLU A 86 67.326 -9.244 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 86 69.584 -7.417 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 86 70.539 -9.687 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 86 69.596 -9.732 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 86 70.743 -7.669 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 86 71.660 -7.575 -4.598 1.00 0.00 H new ATOM 1278 N ALA A 87 68.989 -6.160 -5.394 1.00 0.00 N ATOM 1279 CA ALA A 87 68.452 -5.284 -6.435 1.00 0.00 C ATOM 1280 C ALA A 87 69.567 -4.818 -7.360 1.00 0.00 C ATOM 1281 O ALA A 87 70.727 -4.744 -6.957 1.00 0.00 O ATOM 1282 CB ALA A 87 67.792 -4.063 -5.799 1.00 0.00 C ATOM 0 H ALA A 87 69.848 -5.819 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 87 67.715 -5.844 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.395 -3.416 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.980 -4.386 -5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.530 -3.514 -5.214 1.00 0.00 H new ATOM 1288 N GLN A 88 69.206 -4.505 -8.603 1.00 0.00 N ATOM 1289 CA GLN A 88 70.181 -4.047 -9.594 1.00 0.00 C ATOM 1290 C GLN A 88 70.014 -2.560 -9.894 1.00 0.00 C ATOM 1291 O GLN A 88 68.895 -2.060 -10.072 1.00 0.00 O ATOM 1292 CB GLN A 88 70.015 -4.848 -10.885 1.00 0.00 C ATOM 1293 CG GLN A 88 70.526 -6.274 -10.674 1.00 0.00 C ATOM 1294 CD GLN A 88 70.315 -7.093 -11.942 1.00 0.00 C ATOM 1295 OE1 GLN A 88 69.803 -6.576 -12.935 1.00 0.00 O ATOM 1296 NE2 GLN A 88 70.694 -8.340 -11.974 1.00 0.00 N ATOM 0 H GLN A 88 68.248 -4.560 -8.949 1.00 0.00 H new ATOM 0 HA GLN A 88 71.179 -4.202 -9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.966 -4.867 -11.181 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.566 -4.370 -11.695 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.584 -6.256 -10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 88 70.001 -6.738 -9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 88 71.118 -8.765 -11.150 1.00 0.00 H new ATOM 0 HE22 GLN A 88 70.567 -8.890 -12.823 1.00 0.00 H new ATOM 1305 N LEU A 89 71.148 -1.858 -9.950 1.00 0.00 N ATOM 1306 CA LEU A 89 71.163 -0.422 -10.236 1.00 0.00 C ATOM 1307 C LEU A 89 71.879 -0.158 -11.556 1.00 0.00 C ATOM 1308 O LEU A 89 73.105 -0.071 -11.602 1.00 0.00 O ATOM 1309 CB LEU A 89 71.887 0.318 -9.104 1.00 0.00 C ATOM 1310 CG LEU A 89 71.822 1.837 -9.325 1.00 0.00 C ATOM 1311 CD1 LEU A 89 70.362 2.327 -9.316 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.605 2.533 -8.206 1.00 0.00 C ATOM 0 H LEU A 89 72.072 -2.263 -9.800 1.00 0.00 H new ATOM 0 HA LEU A 89 70.136 -0.064 -10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.432 0.064 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 89 72.927 -0.004 -9.058 1.00 0.00 H new ATOM 0 HG LEU A 89 72.258 2.076 -10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.339 3.405 -9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 89 69.807 1.832 -10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 89 69.905 2.092 -8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.566 3.612 -8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 89 72.163 2.281 -7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 89 73.643 2.201 -8.227 1.00 0.00 H new ATOM 1324 N LYS A 90 71.103 -0.030 -12.630 1.00 0.00 N ATOM 1325 CA LYS A 90 71.665 0.225 -13.958 1.00 0.00 C ATOM 1326 C LYS A 90 71.683 1.726 -14.254 1.00 0.00 C ATOM 1327 O LYS A 90 71.095 2.521 -13.522 1.00 0.00 O ATOM 1328 CB LYS A 90 70.824 -0.510 -15.018 1.00 0.00 C ATOM 1329 CG LYS A 90 71.676 -0.820 -16.263 1.00 0.00 C ATOM 1330 CD LYS A 90 70.870 -1.649 -17.273 1.00 0.00 C ATOM 1331 CE LYS A 90 70.824 -3.124 -16.853 1.00 0.00 C ATOM 1332 NZ LYS A 90 70.212 -3.922 -17.953 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.085 -0.098 -12.609 1.00 0.00 H new ATOM 0 HA LYS A 90 72.691 -0.143 -13.986 1.00 0.00 H new ATOM 0 HB2 LYS A 90 70.430 -1.436 -14.600 1.00 0.00 H new ATOM 0 HB3 LYS A 90 69.967 0.102 -15.300 1.00 0.00 H new ATOM 0 HG2 LYS A 90 72.005 0.110 -16.727 1.00 0.00 H new ATOM 0 HG3 LYS A 90 72.574 -1.365 -15.970 1.00 0.00 H new ATOM 0 HD2 LYS A 90 69.856 -1.255 -17.347 1.00 0.00 H new ATOM 0 HD3 LYS A 90 71.319 -1.562 -18.263 1.00 0.00 H new ATOM 0 HE2 LYS A 90 71.830 -3.486 -16.639 1.00 0.00 H new ATOM 0 HE3 LYS A 90 70.243 -3.237 -15.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 70.177 -4.924 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 69.247 -3.579 -18.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 70.784 -3.821 -18.815 1.00 0.00 H new ATOM 1346 N VAL A 91 72.362 2.101 -15.337 1.00 0.00 N ATOM 1347 CA VAL A 91 72.459 3.503 -15.748 1.00 0.00 C ATOM 1348 C VAL A 91 71.829 3.665 -17.128 1.00 0.00 C ATOM 1349 O VAL A 91 72.123 2.893 -18.042 1.00 0.00 O ATOM 1350 CB VAL A 91 73.934 3.922 -15.806 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.069 5.299 -16.480 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.504 3.981 -14.386 1.00 0.00 C ATOM 0 H VAL A 91 72.856 1.451 -15.949 1.00 0.00 H new ATOM 0 HA VAL A 91 71.935 4.132 -15.028 1.00 0.00 H new ATOM 0 HB VAL A 91 74.490 3.189 -16.391 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.120 5.585 -16.515 1.00 0.00 H new ATOM 0 HG12 VAL A 91 73.673 5.248 -17.494 1.00 0.00 H new ATOM 0 HG13 VAL A 91 73.510 6.040 -15.909 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.552 4.279 -14.427 1.00 0.00 H new ATOM 0 HG22 VAL A 91 73.943 4.708 -13.799 1.00 0.00 H new ATOM 0 HG23 VAL A 91 74.424 2.999 -13.921 1.00 0.00 H new ATOM 1362 N THR A 92 70.959 4.663 -17.276 1.00 0.00 N ATOM 1363 CA THR A 92 70.289 4.905 -18.563 1.00 0.00 C ATOM 1364 C THR A 92 70.821 6.173 -19.220 1.00 0.00 C ATOM 1365 O THR A 92 70.968 7.203 -18.568 1.00 0.00 O ATOM 1366 CB THR A 92 68.781 5.042 -18.344 1.00 0.00 C ATOM 1367 OG1 THR A 92 68.183 5.627 -19.493 1.00 0.00 O ATOM 1368 CG2 THR A 92 68.520 5.922 -17.123 1.00 0.00 C ATOM 0 H THR A 92 70.700 5.313 -16.533 1.00 0.00 H new ATOM 0 HA THR A 92 70.491 4.059 -19.219 1.00 0.00 H new ATOM 0 HB THR A 92 68.348 4.056 -18.177 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.217 5.712 -19.351 1.00 0.00 H new ATOM 0 HG21 THR A 92 67.446 6.019 -16.968 1.00 0.00 H new ATOM 0 HG22 THR A 92 68.974 5.467 -16.243 1.00 0.00 H new ATOM 0 HG23 THR A 92 68.954 6.909 -17.286 1.00 0.00 H new