USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 525 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 46 TYR OH : rot -117:sc= -1.05 USER MOD Set 1.2: A 61 THR OG1 : rot 71:sc= -0.538 USER MOD Single : A 9 GLN : amide:sc= -2.54 K(o=-2.5,f=-3.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 26 SER OG : rot 170:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 90:sc= -1.62 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 41 GLN : amide:sc= 0.223 K(o=0.22,f=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 110:sc= -0.945 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= -0.0326 (180deg=-0.278) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.83! C(o=-2.8!,f=-3!) USER MOD Single : A 70 HIS : no HE2:sc= -5.43 X(o=-5.4,f=-5.8!) USER MOD Single : A 74 SER OG : rot -165:sc= 0.351 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 0.765 -19.921 -0.521 1.00 0.00 N ATOM 67 CA ASP A 8 0.907 -19.305 0.787 1.00 0.00 C ATOM 68 C ASP A 8 1.002 -17.787 0.624 1.00 0.00 C ATOM 69 O ASP A 8 0.282 -17.041 1.287 1.00 0.00 O ATOM 70 CB ASP A 8 2.180 -19.786 1.487 1.00 0.00 C ATOM 71 CG ASP A 8 1.970 -20.354 2.892 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.001 -19.911 3.544 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.785 -21.219 3.281 1.00 0.00 O ATOM 0 HA ASP A 8 0.039 -19.582 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.650 -20.551 0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.880 -18.952 1.549 1.00 0.00 H new ATOM 78 N GLN A 9 1.896 -17.374 -0.262 1.00 0.00 N ATOM 79 CA GLN A 9 2.095 -15.958 -0.521 1.00 0.00 C ATOM 80 C GLN A 9 0.868 -15.369 -1.221 1.00 0.00 C ATOM 81 O GLN A 9 0.428 -14.270 -0.889 1.00 0.00 O ATOM 82 CB GLN A 9 3.362 -15.724 -1.346 1.00 0.00 C ATOM 83 CG GLN A 9 4.617 -15.972 -0.507 1.00 0.00 C ATOM 84 CD GLN A 9 4.795 -17.464 -0.215 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.708 -17.917 0.914 1.00 0.00 O ATOM 86 NE2 GLN A 9 5.049 -18.199 -1.294 1.00 0.00 N ATOM 0 H GLN A 9 2.491 -17.995 -0.810 1.00 0.00 H new ATOM 0 HA GLN A 9 2.224 -15.449 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.363 -16.385 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.370 -14.702 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.492 -15.594 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.547 -15.420 0.430 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.109 -17.756 -2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.184 -19.206 -1.205 1.00 0.00 H new ATOM 95 N LYS A 10 0.351 -16.127 -2.177 1.00 0.00 N ATOM 96 CA LYS A 10 -0.816 -15.695 -2.926 1.00 0.00 C ATOM 97 C LYS A 10 -1.952 -15.376 -1.953 1.00 0.00 C ATOM 98 O LYS A 10 -2.764 -14.488 -2.210 1.00 0.00 O ATOM 99 CB LYS A 10 -1.188 -16.733 -3.986 1.00 0.00 C ATOM 100 CG LYS A 10 -1.116 -16.133 -5.391 1.00 0.00 C ATOM 101 CD LYS A 10 0.186 -16.527 -6.091 1.00 0.00 C ATOM 102 CE LYS A 10 0.422 -15.669 -7.335 1.00 0.00 C ATOM 103 NZ LYS A 10 0.331 -16.496 -8.560 1.00 0.00 N ATOM 0 H LYS A 10 0.719 -17.038 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.598 -14.778 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.514 -17.587 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.195 -17.106 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.967 -16.475 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.186 -15.047 -5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.023 -16.412 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.147 -17.579 -6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.314 -14.866 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.404 -15.199 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.494 -15.898 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.050 -17.247 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.615 -16.925 -8.620 1.00 0.00 H new ATOM 117 N LYS A 11 -1.974 -16.118 -0.855 1.00 0.00 N ATOM 118 CA LYS A 11 -2.998 -15.925 0.158 1.00 0.00 C ATOM 119 C LYS A 11 -2.727 -14.620 0.909 1.00 0.00 C ATOM 120 O LYS A 11 -3.558 -13.713 0.905 1.00 0.00 O ATOM 121 CB LYS A 11 -3.087 -17.151 1.069 1.00 0.00 C ATOM 122 CG LYS A 11 -3.806 -18.305 0.366 1.00 0.00 C ATOM 123 CD LYS A 11 -3.594 -19.621 1.117 1.00 0.00 C ATOM 124 CE LYS A 11 -4.770 -20.575 0.894 1.00 0.00 C ATOM 125 NZ LYS A 11 -4.369 -21.696 0.016 1.00 0.00 N ATOM 0 H LYS A 11 -1.299 -16.854 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.980 -15.828 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.085 -17.466 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.618 -16.891 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.872 -18.088 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.436 -18.401 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.670 -20.092 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.480 -19.422 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.118 -20.962 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.604 -20.035 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.179 -22.333 -0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.058 -21.323 -0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.588 -22.221 0.458 1.00 0.00 H new ATOM 139 N PHE A 12 -1.561 -14.566 1.536 1.00 0.00 N ATOM 140 CA PHE A 12 -1.170 -13.387 2.289 1.00 0.00 C ATOM 141 C PHE A 12 -1.362 -12.117 1.458 1.00 0.00 C ATOM 142 O PHE A 12 -2.020 -11.176 1.899 1.00 0.00 O ATOM 143 CB PHE A 12 0.314 -13.543 2.626 1.00 0.00 C ATOM 144 CG PHE A 12 0.981 -12.254 3.112 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.388 -11.318 2.213 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.166 -12.045 4.443 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.007 -10.123 2.665 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.785 -10.849 4.894 1.00 0.00 C ATOM 149 CZ PHE A 12 2.192 -9.913 3.996 1.00 0.00 C ATOM 0 H PHE A 12 -0.874 -15.320 1.538 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.783 -13.298 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.423 -14.308 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.841 -13.902 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.240 -11.484 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.842 -12.788 5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.331 -9.380 1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.932 -10.683 5.951 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.662 -9.003 4.339 1.00 0.00 H new ATOM 159 N ILE A 13 -0.774 -12.130 0.271 1.00 0.00 N ATOM 160 CA ILE A 13 -0.872 -10.991 -0.626 1.00 0.00 C ATOM 161 C ILE A 13 -2.347 -10.662 -0.866 1.00 0.00 C ATOM 162 O ILE A 13 -2.765 -9.516 -0.707 1.00 0.00 O ATOM 163 CB ILE A 13 -0.083 -11.251 -1.911 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.271 -9.938 -2.612 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.839 -12.209 -2.834 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.457 -9.255 -1.930 1.00 0.00 C ATOM 0 H ILE A 13 -0.228 -12.912 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.418 -10.110 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 13 0.856 -11.736 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.511 -10.133 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.592 -9.272 -2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.257 -12.377 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.996 -13.159 -2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.803 -11.775 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.688 -8.324 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.205 -9.040 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.325 -9.914 -1.964 1.00 0.00 H new ATOM 178 N ASP A 14 -3.095 -11.687 -1.245 1.00 0.00 N ATOM 179 CA ASP A 14 -4.515 -11.521 -1.508 1.00 0.00 C ATOM 180 C ASP A 14 -5.162 -10.778 -0.338 1.00 0.00 C ATOM 181 O ASP A 14 -5.792 -9.739 -0.531 1.00 0.00 O ATOM 182 CB ASP A 14 -5.211 -12.876 -1.651 1.00 0.00 C ATOM 183 CG ASP A 14 -5.602 -13.255 -3.081 1.00 0.00 C ATOM 184 OD1 ASP A 14 -6.647 -12.743 -3.537 1.00 0.00 O ATOM 185 OD2 ASP A 14 -4.848 -14.047 -3.685 1.00 0.00 O ATOM 0 H ASP A 14 -2.745 -12.636 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.623 -10.961 -2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.553 -13.649 -1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.109 -12.873 -1.034 1.00 0.00 H new ATOM 190 N GLN A 15 -4.986 -11.340 0.849 1.00 0.00 N ATOM 191 CA GLN A 15 -5.546 -10.743 2.050 1.00 0.00 C ATOM 192 C GLN A 15 -5.275 -9.237 2.070 1.00 0.00 C ATOM 193 O GLN A 15 -6.142 -8.452 2.451 1.00 0.00 O ATOM 194 CB GLN A 15 -4.991 -11.417 3.306 1.00 0.00 C ATOM 195 CG GLN A 15 -5.538 -12.838 3.454 1.00 0.00 C ATOM 196 CD GLN A 15 -6.175 -13.040 4.830 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.138 -12.389 5.199 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.584 -13.977 5.567 1.00 0.00 N ATOM 0 H GLN A 15 -4.464 -12.202 1.005 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.625 -10.898 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.903 -11.446 3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.254 -10.829 4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.277 -13.030 2.676 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.732 -13.558 3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.781 -14.485 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.934 -14.187 6.502 1.00 0.00 H new ATOM 207 N VAL A 16 -4.069 -8.880 1.655 1.00 0.00 N ATOM 208 CA VAL A 16 -3.674 -7.482 1.620 1.00 0.00 C ATOM 209 C VAL A 16 -4.478 -6.755 0.540 1.00 0.00 C ATOM 210 O VAL A 16 -5.044 -5.693 0.792 1.00 0.00 O ATOM 211 CB VAL A 16 -2.161 -7.371 1.416 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.734 -5.909 1.266 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.403 -8.049 2.559 1.00 0.00 C ATOM 0 H VAL A 16 -3.352 -9.534 1.340 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.897 -6.998 2.571 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.908 -7.890 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.655 -5.858 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.236 -5.470 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.007 -5.356 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.330 -7.956 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.664 -7.571 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.674 -9.104 2.600 1.00 0.00 H new ATOM 223 N ILE A 17 -4.502 -7.357 -0.640 1.00 0.00 N ATOM 224 CA ILE A 17 -5.227 -6.781 -1.760 1.00 0.00 C ATOM 225 C ILE A 17 -6.559 -6.216 -1.262 1.00 0.00 C ATOM 226 O ILE A 17 -6.967 -5.129 -1.669 1.00 0.00 O ATOM 227 CB ILE A 17 -5.375 -7.805 -2.886 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.009 -8.320 -3.342 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.187 -7.229 -4.048 1.00 0.00 C ATOM 230 CD1 ILE A 17 -2.979 -7.189 -3.376 1.00 0.00 C ATOM 0 H ILE A 17 -4.031 -8.238 -0.845 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.668 -5.950 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.929 -8.660 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.669 -9.106 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.097 -8.766 -4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.277 -7.978 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.180 -6.952 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.683 -6.347 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.017 -7.583 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.310 -6.416 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.875 -6.761 -2.379 1.00 0.00 H new ATOM 242 N GLU A 18 -7.200 -6.980 -0.389 1.00 0.00 N ATOM 243 CA GLU A 18 -8.477 -6.569 0.168 1.00 0.00 C ATOM 244 C GLU A 18 -8.334 -5.229 0.893 1.00 0.00 C ATOM 245 O GLU A 18 -9.142 -4.323 0.694 1.00 0.00 O ATOM 246 CB GLU A 18 -9.038 -7.642 1.103 1.00 0.00 C ATOM 247 CG GLU A 18 -9.892 -8.650 0.332 1.00 0.00 C ATOM 248 CD GLU A 18 -11.218 -8.025 -0.106 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.866 -7.403 0.763 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.553 -8.183 -1.300 1.00 0.00 O ATOM 0 H GLU A 18 -6.859 -7.881 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.185 -6.442 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.218 -8.160 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.638 -7.172 1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.345 -9.001 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.086 -9.521 0.958 1.00 0.00 H new ATOM 257 N LYS A 19 -7.301 -5.147 1.718 1.00 0.00 N ATOM 258 CA LYS A 19 -7.042 -3.933 2.474 1.00 0.00 C ATOM 259 C LYS A 19 -6.921 -2.753 1.509 1.00 0.00 C ATOM 260 O LYS A 19 -7.407 -1.659 1.796 1.00 0.00 O ATOM 261 CB LYS A 19 -5.822 -4.116 3.379 1.00 0.00 C ATOM 262 CG LYS A 19 -6.037 -5.267 4.364 1.00 0.00 C ATOM 263 CD LYS A 19 -4.721 -5.668 5.034 1.00 0.00 C ATOM 264 CE LYS A 19 -4.521 -7.184 4.987 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.733 -7.776 6.326 1.00 0.00 N ATOM 0 H LYS A 19 -6.633 -5.901 1.880 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.875 -3.714 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.940 -4.314 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.630 -3.194 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.760 -4.970 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.459 -6.125 3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.889 -5.172 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.718 -5.329 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.216 -7.626 4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.515 -7.413 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.593 -8.805 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.053 -7.366 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.702 -7.573 6.646 1.00 0.00 H new ATOM 279 N ILE A 20 -6.271 -3.013 0.384 1.00 0.00 N ATOM 280 CA ILE A 20 -6.080 -1.985 -0.625 1.00 0.00 C ATOM 281 C ILE A 20 -7.422 -1.676 -1.292 1.00 0.00 C ATOM 282 O ILE A 20 -7.918 -0.554 -1.205 1.00 0.00 O ATOM 283 CB ILE A 20 -4.984 -2.399 -1.610 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.629 -2.510 -0.908 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.934 -1.446 -2.806 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.754 -3.576 -1.570 1.00 0.00 C ATOM 0 H ILE A 20 -5.870 -3.921 0.149 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.731 -1.060 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.228 -3.389 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.120 -1.547 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.779 -2.759 0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.147 -1.762 -3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.893 -1.461 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.726 -0.435 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.797 -3.634 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.255 -4.543 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.586 -3.312 -2.614 1.00 0.00 H new ATOM 298 N GLU A 21 -7.970 -2.691 -1.944 1.00 0.00 N ATOM 299 CA GLU A 21 -9.245 -2.542 -2.625 1.00 0.00 C ATOM 300 C GLU A 21 -10.185 -1.658 -1.804 1.00 0.00 C ATOM 301 O GLU A 21 -10.659 -0.631 -2.288 1.00 0.00 O ATOM 302 CB GLU A 21 -9.879 -3.905 -2.906 1.00 0.00 C ATOM 303 CG GLU A 21 -9.246 -4.562 -4.134 1.00 0.00 C ATOM 304 CD GLU A 21 -10.054 -4.257 -5.397 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.298 -4.235 -5.283 1.00 0.00 O ATOM 306 OE2 GLU A 21 -9.409 -4.054 -6.448 1.00 0.00 O ATOM 0 H GLU A 21 -7.554 -3.620 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.068 -2.056 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.756 -4.553 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.951 -3.786 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.224 -4.203 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.190 -5.640 -3.986 1.00 0.00 H new ATOM 313 N ASP A 22 -10.428 -2.089 -0.575 1.00 0.00 N ATOM 314 CA ASP A 22 -11.304 -1.350 0.319 1.00 0.00 C ATOM 315 C ASP A 22 -10.820 0.098 0.417 1.00 0.00 C ATOM 316 O ASP A 22 -11.599 1.031 0.223 1.00 0.00 O ATOM 317 CB ASP A 22 -11.288 -1.950 1.726 1.00 0.00 C ATOM 318 CG ASP A 22 -12.657 -2.046 2.403 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.354 -1.008 2.424 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.975 -3.155 2.885 1.00 0.00 O ATOM 0 H ASP A 22 -10.033 -2.941 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.316 -1.400 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.854 -2.949 1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.630 -1.349 2.354 1.00 0.00 H new ATOM 325 N PHE A 23 -9.538 0.241 0.717 1.00 0.00 N ATOM 326 CA PHE A 23 -8.942 1.560 0.844 1.00 0.00 C ATOM 327 C PHE A 23 -9.128 2.371 -0.440 1.00 0.00 C ATOM 328 O PHE A 23 -9.163 3.600 -0.403 1.00 0.00 O ATOM 329 CB PHE A 23 -7.446 1.353 1.089 1.00 0.00 C ATOM 330 CG PHE A 23 -6.570 2.511 0.605 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.751 3.759 1.114 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.609 2.291 -0.332 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.938 4.833 0.666 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.796 3.366 -0.781 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.978 4.614 -0.272 1.00 0.00 C ATOM 0 H PHE A 23 -8.895 -0.535 0.876 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.417 2.106 1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.280 1.207 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.130 0.438 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.513 3.933 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.464 1.299 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.082 5.824 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.034 3.192 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.360 5.431 -0.613 1.00 0.00 H new ATOM 345 N LEU A 24 -9.244 1.651 -1.546 1.00 0.00 N ATOM 346 CA LEU A 24 -9.426 2.288 -2.839 1.00 0.00 C ATOM 347 C LEU A 24 -10.916 2.555 -3.065 1.00 0.00 C ATOM 348 O LEU A 24 -11.284 3.337 -3.941 1.00 0.00 O ATOM 349 CB LEU A 24 -8.776 1.454 -3.944 1.00 0.00 C ATOM 350 CG LEU A 24 -7.294 1.127 -3.754 1.00 0.00 C ATOM 351 CD1 LEU A 24 -6.880 -0.067 -4.617 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.423 2.357 -4.022 1.00 0.00 C ATOM 0 H LEU A 24 -9.215 0.632 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.921 3.254 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.325 0.517 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.892 1.985 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.138 0.841 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.822 -0.278 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.469 -0.940 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.054 0.166 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.374 2.098 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.578 2.696 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.696 3.154 -3.331 1.00 0.00 H new ATOM 364 N GLN A 25 -11.733 1.891 -2.261 1.00 0.00 N ATOM 365 CA GLN A 25 -13.174 2.047 -2.362 1.00 0.00 C ATOM 366 C GLN A 25 -13.623 3.313 -1.630 1.00 0.00 C ATOM 367 O GLN A 25 -14.555 3.988 -2.065 1.00 0.00 O ATOM 368 CB GLN A 25 -13.898 0.814 -1.821 1.00 0.00 C ATOM 369 CG GLN A 25 -13.953 -0.296 -2.873 1.00 0.00 C ATOM 370 CD GLN A 25 -15.214 -0.175 -3.731 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.640 0.905 -4.106 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.785 -1.341 -4.021 1.00 0.00 N ATOM 0 H GLN A 25 -11.424 1.243 -1.536 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.436 2.148 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.387 0.450 -0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.910 1.085 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.069 -0.243 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.935 -1.269 -2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.376 -2.209 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.632 -1.367 -4.589 1.00 0.00 H new ATOM 381 N SER A 26 -12.940 3.597 -0.531 1.00 0.00 N ATOM 382 CA SER A 26 -13.258 4.769 0.266 1.00 0.00 C ATOM 383 C SER A 26 -12.800 6.036 -0.461 1.00 0.00 C ATOM 384 O SER A 26 -11.777 6.028 -1.143 1.00 0.00 O ATOM 385 CB SER A 26 -12.609 4.688 1.649 1.00 0.00 C ATOM 386 OG SER A 26 -13.505 5.086 2.684 1.00 0.00 O ATOM 0 H SER A 26 -12.167 3.035 -0.174 1.00 0.00 H new ATOM 0 HA SER A 26 -14.339 4.806 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.273 3.667 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.724 5.324 1.672 1.00 0.00 H new ATOM 0 HG SER A 26 -13.114 4.869 3.556 1.00 0.00 H new ATOM 392 N GLU A 27 -13.580 7.093 -0.289 1.00 0.00 N ATOM 393 CA GLU A 27 -13.268 8.364 -0.920 1.00 0.00 C ATOM 394 C GLU A 27 -12.438 9.235 0.024 1.00 0.00 C ATOM 395 O GLU A 27 -11.552 9.966 -0.417 1.00 0.00 O ATOM 396 CB GLU A 27 -14.544 9.088 -1.356 1.00 0.00 C ATOM 397 CG GLU A 27 -15.630 8.977 -0.285 1.00 0.00 C ATOM 398 CD GLU A 27 -16.532 7.767 -0.541 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.927 7.593 -1.714 1.00 0.00 O ATOM 400 OE2 GLU A 27 -16.805 7.045 0.442 1.00 0.00 O ATOM 0 H GLU A 27 -14.428 7.095 0.278 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.678 8.168 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.323 10.138 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.906 8.662 -2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.168 8.889 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.230 9.887 -0.275 1.00 0.00 H new ATOM 407 N GLU A 28 -12.755 9.130 1.307 1.00 0.00 N ATOM 408 CA GLU A 28 -12.049 9.900 2.317 1.00 0.00 C ATOM 409 C GLU A 28 -10.598 9.427 2.428 1.00 0.00 C ATOM 410 O GLU A 28 -9.674 10.239 2.416 1.00 0.00 O ATOM 411 CB GLU A 28 -12.759 9.810 3.669 1.00 0.00 C ATOM 412 CG GLU A 28 -13.427 11.140 4.027 1.00 0.00 C ATOM 413 CD GLU A 28 -13.268 11.450 5.517 1.00 0.00 C ATOM 414 OE1 GLU A 28 -12.142 11.837 5.898 1.00 0.00 O ATOM 415 OE2 GLU A 28 -14.275 11.294 6.240 1.00 0.00 O ATOM 0 H GLU A 28 -13.491 8.524 1.670 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.047 10.947 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.508 9.019 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.041 9.539 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.987 11.943 3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.486 11.100 3.771 1.00 0.00 H new ATOM 422 N LYS A 29 -10.443 8.115 2.533 1.00 0.00 N ATOM 423 CA LYS A 29 -9.120 7.525 2.645 1.00 0.00 C ATOM 424 C LYS A 29 -8.220 8.087 1.544 1.00 0.00 C ATOM 425 O LYS A 29 -8.592 8.084 0.371 1.00 0.00 O ATOM 426 CB LYS A 29 -9.213 5.997 2.643 1.00 0.00 C ATOM 427 CG LYS A 29 -10.121 5.502 3.771 1.00 0.00 C ATOM 428 CD LYS A 29 -10.056 3.978 3.898 1.00 0.00 C ATOM 429 CE LYS A 29 -10.599 3.517 5.252 1.00 0.00 C ATOM 430 NZ LYS A 29 -10.932 2.076 5.213 1.00 0.00 N ATOM 0 H LYS A 29 -11.212 7.444 2.543 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.663 7.793 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.599 5.654 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.217 5.568 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.821 5.962 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.148 5.811 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.632 3.518 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.025 3.644 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.859 3.704 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.487 4.095 5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.299 1.779 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.654 1.906 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.077 1.528 4.988 1.00 0.00 H new ATOM 444 N ARG A 30 -7.053 8.557 1.960 1.00 0.00 N ATOM 445 CA ARG A 30 -6.096 9.121 1.023 1.00 0.00 C ATOM 446 C ARG A 30 -4.827 8.269 0.982 1.00 0.00 C ATOM 447 O ARG A 30 -4.194 8.141 -0.065 1.00 0.00 O ATOM 448 CB ARG A 30 -5.727 10.555 1.410 1.00 0.00 C ATOM 449 CG ARG A 30 -6.667 11.562 0.742 1.00 0.00 C ATOM 450 CD ARG A 30 -6.359 11.693 -0.751 1.00 0.00 C ATOM 451 NE ARG A 30 -6.507 13.102 -1.176 1.00 0.00 N ATOM 452 CZ ARG A 30 -6.313 13.533 -2.430 1.00 0.00 C ATOM 453 NH1 ARG A 30 -5.962 12.666 -3.389 1.00 0.00 N ATOM 454 NH2 ARG A 30 -6.471 14.831 -2.725 1.00 0.00 N ATOM 0 H ARG A 30 -6.748 8.559 2.933 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.563 9.130 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.778 10.668 2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.698 10.762 1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.701 11.245 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.566 12.534 1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.345 11.348 -0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.032 11.058 -1.327 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.773 13.789 -0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.843 11.678 -3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.814 12.994 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.739 15.491 -1.995 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.323 15.159 -3.680 1.00 0.00 H new ATOM 468 N SER A 31 -4.492 7.707 2.135 1.00 0.00 N ATOM 469 CA SER A 31 -3.309 6.870 2.244 1.00 0.00 C ATOM 470 C SER A 31 -3.553 5.748 3.255 1.00 0.00 C ATOM 471 O SER A 31 -3.988 6.003 4.377 1.00 0.00 O ATOM 472 CB SER A 31 -2.086 7.695 2.651 1.00 0.00 C ATOM 473 OG SER A 31 -2.453 8.954 3.207 1.00 0.00 O ATOM 0 H SER A 31 -5.019 7.815 3.001 1.00 0.00 H new ATOM 0 HA SER A 31 -3.109 6.432 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.497 7.136 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.450 7.855 1.780 1.00 0.00 H new ATOM 0 HG SER A 31 -1.645 9.450 3.456 1.00 0.00 H new ATOM 479 N LEU A 32 -3.263 4.530 2.821 1.00 0.00 N ATOM 480 CA LEU A 32 -3.446 3.368 3.674 1.00 0.00 C ATOM 481 C LEU A 32 -2.113 3.013 4.336 1.00 0.00 C ATOM 482 O LEU A 32 -1.055 3.444 3.880 1.00 0.00 O ATOM 483 CB LEU A 32 -4.067 2.215 2.883 1.00 0.00 C ATOM 484 CG LEU A 32 -4.482 0.989 3.699 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.651 1.320 4.629 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.795 -0.197 2.785 1.00 0.00 C ATOM 0 H LEU A 32 -2.903 4.323 1.890 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.151 3.590 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.945 2.592 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.354 1.896 2.123 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.642 0.697 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.926 0.432 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.356 2.113 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.504 1.651 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.087 -1.055 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.611 0.067 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.910 -0.449 2.201 1.00 0.00 H new ATOM 498 N GLU A 33 -2.208 2.229 5.400 1.00 0.00 N ATOM 499 CA GLU A 33 -1.023 1.810 6.129 1.00 0.00 C ATOM 500 C GLU A 33 -1.024 0.292 6.316 1.00 0.00 C ATOM 501 O GLU A 33 -1.880 -0.250 7.014 1.00 0.00 O ATOM 502 CB GLU A 33 -0.926 2.529 7.476 1.00 0.00 C ATOM 503 CG GLU A 33 -1.244 4.018 7.327 1.00 0.00 C ATOM 504 CD GLU A 33 -0.876 4.787 8.598 1.00 0.00 C ATOM 505 OE1 GLU A 33 -1.418 4.418 9.662 1.00 0.00 O ATOM 506 OE2 GLU A 33 -0.060 5.727 8.476 1.00 0.00 O ATOM 0 H GLU A 33 -3.087 1.873 5.775 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.145 2.083 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.618 2.075 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.077 2.407 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.696 4.427 6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.305 4.147 7.114 1.00 0.00 H new ATOM 513 N LEU A 34 -0.055 -0.351 5.682 1.00 0.00 N ATOM 514 CA LEU A 34 0.066 -1.797 5.770 1.00 0.00 C ATOM 515 C LEU A 34 0.933 -2.159 6.977 1.00 0.00 C ATOM 516 O LEU A 34 1.673 -1.319 7.489 1.00 0.00 O ATOM 517 CB LEU A 34 0.580 -2.373 4.449 1.00 0.00 C ATOM 518 CG LEU A 34 -0.462 -2.544 3.341 1.00 0.00 C ATOM 519 CD1 LEU A 34 0.158 -3.191 2.101 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.678 -3.322 3.847 1.00 0.00 C ATOM 0 H LEU A 34 0.654 0.102 5.105 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.911 -2.252 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.374 -1.725 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.030 -3.345 4.650 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.813 -1.555 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.603 -3.301 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.965 -2.561 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.554 -4.172 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.403 -3.429 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.363 -4.309 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.136 -2.783 4.676 1.00 0.00 H new ATOM 532 N ASP A 35 0.814 -3.409 7.397 1.00 0.00 N ATOM 533 CA ASP A 35 1.578 -3.893 8.535 1.00 0.00 C ATOM 534 C ASP A 35 3.043 -4.062 8.125 1.00 0.00 C ATOM 535 O ASP A 35 3.340 -4.317 6.959 1.00 0.00 O ATOM 536 CB ASP A 35 1.060 -5.252 9.009 1.00 0.00 C ATOM 537 CG ASP A 35 1.197 -6.387 7.992 1.00 0.00 C ATOM 538 OD1 ASP A 35 0.274 -6.517 7.159 1.00 0.00 O ATOM 539 OD2 ASP A 35 2.221 -7.099 8.071 1.00 0.00 O ATOM 0 H ASP A 35 0.200 -4.102 6.970 1.00 0.00 H new ATOM 0 HA ASP A 35 1.477 -3.168 9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.595 -5.531 9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.008 -5.150 9.277 1.00 0.00 H new ATOM 544 N PRO A 36 3.943 -3.909 9.133 1.00 0.00 N ATOM 545 CA PRO A 36 5.369 -4.043 8.890 1.00 0.00 C ATOM 546 C PRO A 36 5.761 -5.511 8.716 1.00 0.00 C ATOM 547 O PRO A 36 5.741 -6.281 9.675 1.00 0.00 O ATOM 548 CB PRO A 36 6.036 -3.388 10.089 1.00 0.00 C ATOM 549 CG PRO A 36 4.974 -3.328 11.175 1.00 0.00 C ATOM 550 CD PRO A 36 3.628 -3.607 10.527 1.00 0.00 C ATOM 0 HA PRO A 36 5.684 -3.563 7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.900 -3.965 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.396 -2.390 9.839 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.182 -4.062 11.953 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.972 -2.348 11.653 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.122 -4.444 11.009 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.965 -2.746 10.605 1.00 0.00 H new ATOM 558 N CYS A 37 6.108 -5.856 7.485 1.00 0.00 N ATOM 559 CA CYS A 37 6.504 -7.219 7.172 1.00 0.00 C ATOM 560 C CYS A 37 7.909 -7.451 7.732 1.00 0.00 C ATOM 561 O CYS A 37 8.586 -6.505 8.131 1.00 0.00 O ATOM 562 CB CYS A 37 6.434 -7.498 5.670 1.00 0.00 C ATOM 563 SG CYS A 37 4.690 -7.510 5.116 1.00 0.00 S ATOM 0 H CYS A 37 6.123 -5.215 6.692 1.00 0.00 H new ATOM 0 HA CYS A 37 5.809 -7.918 7.636 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.992 -6.737 5.124 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.901 -8.457 5.448 1.00 0.00 H new ATOM 0 HG CYS A 37 4.339 -6.310 4.760 1.00 0.00 H new ATOM 569 N THR A 38 8.305 -8.715 7.742 1.00 0.00 N ATOM 570 CA THR A 38 9.618 -9.084 8.246 1.00 0.00 C ATOM 571 C THR A 38 10.692 -8.799 7.194 1.00 0.00 C ATOM 572 O THR A 38 11.745 -8.249 7.511 1.00 0.00 O ATOM 573 CB THR A 38 9.564 -10.551 8.677 1.00 0.00 C ATOM 574 OG1 THR A 38 9.581 -11.274 7.450 1.00 0.00 O ATOM 575 CG2 THR A 38 8.223 -10.925 9.312 1.00 0.00 C ATOM 0 H THR A 38 7.740 -9.497 7.409 1.00 0.00 H new ATOM 0 HA THR A 38 9.891 -8.485 9.115 1.00 0.00 H new ATOM 0 HB THR A 38 10.369 -10.752 9.384 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.550 -12.236 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.237 -11.976 9.600 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.054 -10.309 10.195 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.421 -10.756 8.594 1.00 0.00 H new ATOM 583 N GLY A 39 10.387 -9.186 5.964 1.00 0.00 N ATOM 584 CA GLY A 39 11.314 -8.979 4.863 1.00 0.00 C ATOM 585 C GLY A 39 10.727 -9.497 3.549 1.00 0.00 C ATOM 586 O GLY A 39 10.509 -8.726 2.616 1.00 0.00 O ATOM 0 H GLY A 39 9.512 -9.641 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.543 -7.917 4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.254 -9.490 5.073 1.00 0.00 H new ATOM 590 N PHE A 40 10.489 -10.800 3.516 1.00 0.00 N ATOM 591 CA PHE A 40 9.933 -11.430 2.331 1.00 0.00 C ATOM 592 C PHE A 40 8.598 -10.789 1.945 1.00 0.00 C ATOM 593 O PHE A 40 8.490 -10.159 0.894 1.00 0.00 O ATOM 594 CB PHE A 40 9.697 -12.902 2.676 1.00 0.00 C ATOM 595 CG PHE A 40 10.014 -13.868 1.533 1.00 0.00 C ATOM 596 CD1 PHE A 40 9.449 -13.683 0.310 1.00 0.00 C ATOM 597 CD2 PHE A 40 10.861 -14.911 1.739 1.00 0.00 C ATOM 598 CE1 PHE A 40 9.744 -14.579 -0.752 1.00 0.00 C ATOM 599 CE2 PHE A 40 11.156 -15.808 0.678 1.00 0.00 C ATOM 600 CZ PHE A 40 10.591 -15.622 -0.545 1.00 0.00 C ATOM 0 H PHE A 40 10.671 -11.437 4.292 1.00 0.00 H new ATOM 0 HA PHE A 40 10.618 -11.314 1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.308 -13.164 3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.656 -13.033 2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.776 -12.855 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.310 -15.058 2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.296 -14.432 -1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.828 -16.637 0.842 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.815 -16.303 -1.352 1.00 0.00 H new ATOM 610 N GLN A 41 7.616 -10.972 2.815 1.00 0.00 N ATOM 611 CA GLN A 41 6.294 -10.419 2.578 1.00 0.00 C ATOM 612 C GLN A 41 6.404 -8.993 2.037 1.00 0.00 C ATOM 613 O GLN A 41 5.690 -8.621 1.107 1.00 0.00 O ATOM 614 CB GLN A 41 5.447 -10.459 3.852 1.00 0.00 C ATOM 615 CG GLN A 41 4.915 -11.869 4.113 1.00 0.00 C ATOM 616 CD GLN A 41 5.673 -12.537 5.263 1.00 0.00 C ATOM 617 OE1 GLN A 41 6.883 -12.684 5.240 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.894 -12.930 6.267 1.00 0.00 N ATOM 0 H GLN A 41 7.710 -11.496 3.685 1.00 0.00 H new ATOM 0 HA GLN A 41 5.794 -11.033 1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.046 -10.129 4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.613 -9.763 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.852 -11.822 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.013 -12.471 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.887 -12.776 6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.304 -13.386 7.082 1.00 0.00 H new ATOM 627 N ARG A 42 7.303 -8.232 2.643 1.00 0.00 N ATOM 628 CA ARG A 42 7.516 -6.854 2.234 1.00 0.00 C ATOM 629 C ARG A 42 7.776 -6.782 0.728 1.00 0.00 C ATOM 630 O ARG A 42 7.127 -6.015 0.018 1.00 0.00 O ATOM 631 CB ARG A 42 8.700 -6.234 2.979 1.00 0.00 C ATOM 632 CG ARG A 42 8.456 -4.750 3.258 1.00 0.00 C ATOM 633 CD ARG A 42 9.562 -4.169 4.142 1.00 0.00 C ATOM 634 NE ARG A 42 10.280 -3.098 3.415 1.00 0.00 N ATOM 635 CZ ARG A 42 11.445 -2.570 3.816 1.00 0.00 C ATOM 636 NH1 ARG A 42 12.030 -3.010 4.938 1.00 0.00 N ATOM 637 NH2 ARG A 42 12.025 -1.602 3.093 1.00 0.00 N ATOM 0 H ARG A 42 7.893 -8.544 3.415 1.00 0.00 H new ATOM 0 HA ARG A 42 6.614 -6.293 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.860 -6.763 3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.608 -6.352 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.412 -4.202 2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.490 -4.622 3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.133 -3.771 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.260 -4.955 4.430 1.00 0.00 H new ATOM 0 HE ARG A 42 9.863 -2.740 2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.589 -3.747 5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.917 -2.608 5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.580 -1.268 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.911 -1.200 3.397 1.00 0.00 H new ATOM 651 N LYS A 43 8.726 -7.592 0.284 1.00 0.00 N ATOM 652 CA LYS A 43 9.080 -7.629 -1.125 1.00 0.00 C ATOM 653 C LYS A 43 7.907 -8.198 -1.926 1.00 0.00 C ATOM 654 O LYS A 43 7.728 -7.860 -3.095 1.00 0.00 O ATOM 655 CB LYS A 43 10.391 -8.392 -1.328 1.00 0.00 C ATOM 656 CG LYS A 43 10.181 -9.898 -1.155 1.00 0.00 C ATOM 657 CD LYS A 43 11.059 -10.689 -2.126 1.00 0.00 C ATOM 658 CE LYS A 43 10.212 -11.610 -3.007 1.00 0.00 C ATOM 659 NZ LYS A 43 11.077 -12.415 -3.897 1.00 0.00 N ATOM 0 H LYS A 43 9.262 -8.228 0.875 1.00 0.00 H new ATOM 0 HA LYS A 43 9.263 -6.622 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.784 -8.188 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.135 -8.040 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.415 -10.186 -0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.133 -10.144 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.625 -10.000 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.784 -11.281 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.610 -12.269 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.519 -11.016 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.486 -13.034 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.633 -11.782 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.721 -12.996 -3.323 1.00 0.00 H new ATOM 673 N LEU A 44 7.139 -9.051 -1.264 1.00 0.00 N ATOM 674 CA LEU A 44 5.988 -9.670 -1.900 1.00 0.00 C ATOM 675 C LEU A 44 4.955 -8.592 -2.234 1.00 0.00 C ATOM 676 O LEU A 44 4.521 -8.476 -3.379 1.00 0.00 O ATOM 677 CB LEU A 44 5.438 -10.800 -1.029 1.00 0.00 C ATOM 678 CG LEU A 44 6.400 -11.955 -0.742 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.841 -12.878 0.343 1.00 0.00 C ATOM 680 CD2 LEU A 44 6.739 -12.717 -2.024 1.00 0.00 C ATOM 0 H LEU A 44 7.291 -9.328 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 44 6.278 -10.137 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.117 -10.375 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.549 -11.205 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 44 7.331 -11.537 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.544 -13.690 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.692 -12.311 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.888 -13.291 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.424 -13.532 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.825 -13.123 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.209 -12.039 -2.736 1.00 0.00 H new ATOM 692 N ILE A 45 4.590 -7.830 -1.213 1.00 0.00 N ATOM 693 CA ILE A 45 3.616 -6.766 -1.383 1.00 0.00 C ATOM 694 C ILE A 45 4.021 -5.895 -2.574 1.00 0.00 C ATOM 695 O ILE A 45 3.220 -5.659 -3.476 1.00 0.00 O ATOM 696 CB ILE A 45 3.443 -5.984 -0.080 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.848 -6.870 1.017 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.614 -4.718 -0.306 1.00 0.00 C ATOM 699 CD1 ILE A 45 2.871 -6.158 2.370 1.00 0.00 C ATOM 0 H ILE A 45 4.952 -7.929 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 45 2.634 -7.182 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 45 4.429 -5.667 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.823 -7.135 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.411 -7.801 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.506 -4.181 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.116 -4.079 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.628 -4.991 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.443 -6.810 3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.900 -5.916 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.287 -5.240 2.308 1.00 0.00 H new ATOM 711 N TYR A 46 5.266 -5.441 -2.537 1.00 0.00 N ATOM 712 CA TYR A 46 5.788 -4.601 -3.602 1.00 0.00 C ATOM 713 C TYR A 46 5.730 -5.324 -4.949 1.00 0.00 C ATOM 714 O TYR A 46 5.236 -4.774 -5.932 1.00 0.00 O ATOM 715 CB TYR A 46 7.250 -4.329 -3.245 1.00 0.00 C ATOM 716 CG TYR A 46 7.440 -3.256 -2.171 1.00 0.00 C ATOM 717 CD1 TYR A 46 6.913 -1.994 -2.356 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.137 -3.551 -1.017 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.091 -0.984 -1.345 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.315 -2.541 -0.006 1.00 0.00 C ATOM 721 CZ TYR A 46 7.783 -1.307 -0.220 1.00 0.00 C ATOM 722 OH TYR A 46 7.951 -0.354 0.735 1.00 0.00 O ATOM 0 H TYR A 46 5.928 -5.639 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 46 5.202 -3.686 -3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.708 -5.257 -2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.783 -4.025 -4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.367 -1.764 -3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.549 -4.539 -0.872 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.684 0.008 -1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.859 -2.758 0.902 1.00 0.00 H new ATOM 0 HH TYR A 46 8.906 -0.161 0.840 1.00 0.00 H new ATOM 732 N GLN A 47 6.241 -6.547 -4.951 1.00 0.00 N ATOM 733 CA GLN A 47 6.254 -7.351 -6.161 1.00 0.00 C ATOM 734 C GLN A 47 4.864 -7.367 -6.802 1.00 0.00 C ATOM 735 O GLN A 47 4.720 -7.071 -7.987 1.00 0.00 O ATOM 736 CB GLN A 47 6.739 -8.772 -5.870 1.00 0.00 C ATOM 737 CG GLN A 47 8.096 -9.033 -6.528 1.00 0.00 C ATOM 738 CD GLN A 47 7.925 -9.725 -7.882 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.789 -10.933 -7.978 1.00 0.00 O ATOM 740 NE2 GLN A 47 7.939 -8.893 -8.919 1.00 0.00 N ATOM 0 H GLN A 47 6.649 -7.000 -4.133 1.00 0.00 H new ATOM 0 HA GLN A 47 6.953 -6.901 -6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.818 -8.920 -4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.008 -9.492 -6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.627 -8.090 -6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.708 -9.653 -5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.057 -7.891 -8.768 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.832 -9.257 -9.866 1.00 0.00 H new ATOM 749 N THR A 48 3.877 -7.715 -5.990 1.00 0.00 N ATOM 750 CA THR A 48 2.504 -7.774 -6.463 1.00 0.00 C ATOM 751 C THR A 48 2.049 -6.396 -6.949 1.00 0.00 C ATOM 752 O THR A 48 1.760 -6.215 -8.131 1.00 0.00 O ATOM 753 CB THR A 48 1.639 -8.337 -5.335 1.00 0.00 C ATOM 754 OG1 THR A 48 1.914 -9.735 -5.351 1.00 0.00 O ATOM 755 CG2 THR A 48 0.143 -8.248 -5.644 1.00 0.00 C ATOM 0 H THR A 48 4.000 -7.959 -5.007 1.00 0.00 H new ATOM 0 HA THR A 48 2.410 -8.436 -7.324 1.00 0.00 H new ATOM 0 HB THR A 48 1.852 -7.798 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.431 -9.976 -4.554 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.426 -8.661 -4.811 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.136 -7.205 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.076 -8.814 -6.549 1.00 0.00 H new ATOM 763 N LEU A 49 1.998 -5.461 -6.012 1.00 0.00 N ATOM 764 CA LEU A 49 1.582 -4.105 -6.329 1.00 0.00 C ATOM 765 C LEU A 49 2.342 -3.620 -7.566 1.00 0.00 C ATOM 766 O LEU A 49 1.875 -2.730 -8.275 1.00 0.00 O ATOM 767 CB LEU A 49 1.745 -3.195 -5.110 1.00 0.00 C ATOM 768 CG LEU A 49 0.971 -3.607 -3.857 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.279 -2.669 -2.688 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.530 -3.693 -4.143 1.00 0.00 C ATOM 0 H LEU A 49 2.238 -5.615 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 49 0.521 -4.080 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.804 -3.145 -4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.435 -2.188 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 49 1.301 -4.604 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.716 -2.985 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.346 -2.702 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.996 -1.651 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.057 -3.988 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.894 -2.720 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.710 -4.432 -4.923 1.00 0.00 H new ATOM 782 N SER A 50 3.499 -4.226 -7.785 1.00 0.00 N ATOM 783 CA SER A 50 4.328 -3.866 -8.923 1.00 0.00 C ATOM 784 C SER A 50 3.514 -3.965 -10.215 1.00 0.00 C ATOM 785 O SER A 50 3.632 -3.112 -11.094 1.00 0.00 O ATOM 786 CB SER A 50 5.567 -4.760 -9.006 1.00 0.00 C ATOM 787 OG SER A 50 6.701 -4.056 -9.506 1.00 0.00 O ATOM 0 H SER A 50 3.882 -4.964 -7.194 1.00 0.00 H new ATOM 0 HA SER A 50 4.664 -2.837 -8.791 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.794 -5.157 -8.017 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.356 -5.613 -9.651 1.00 0.00 H new ATOM 0 HG SER A 50 7.471 -4.661 -9.542 1.00 0.00 H new ATOM 793 N TRP A 51 2.708 -5.014 -10.290 1.00 0.00 N ATOM 794 CA TRP A 51 1.875 -5.235 -11.460 1.00 0.00 C ATOM 795 C TRP A 51 0.417 -5.016 -11.051 1.00 0.00 C ATOM 796 O TRP A 51 -0.397 -4.568 -11.857 1.00 0.00 O ATOM 797 CB TRP A 51 2.126 -6.621 -12.057 1.00 0.00 C ATOM 798 CG TRP A 51 2.098 -7.756 -11.030 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.138 -8.358 -10.438 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.924 -8.403 -10.496 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.722 -9.342 -9.565 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.333 -9.371 -9.601 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.439 -8.179 -10.761 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.442 -10.190 -8.898 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.316 -9.006 -10.050 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.921 -9.985 -9.146 1.00 0.00 C ATOM 0 H TRP A 51 2.614 -5.720 -9.560 1.00 0.00 H new ATOM 0 HA TRP A 51 2.125 -4.527 -12.250 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.374 -6.818 -12.821 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.095 -6.620 -12.556 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.172 -8.105 -10.621 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.324 -9.939 -8.997 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.782 -7.428 -11.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.787 -10.940 -8.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.375 -8.874 -10.216 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.661 -10.585 -8.637 1.00 0.00 H new ATOM 817 N LYS A 52 0.131 -5.342 -9.799 1.00 0.00 N ATOM 818 CA LYS A 52 -1.214 -5.186 -9.273 1.00 0.00 C ATOM 819 C LYS A 52 -1.645 -3.724 -9.412 1.00 0.00 C ATOM 820 O LYS A 52 -2.782 -3.442 -9.786 1.00 0.00 O ATOM 821 CB LYS A 52 -1.295 -5.717 -7.840 1.00 0.00 C ATOM 822 CG LYS A 52 -1.918 -7.113 -7.808 1.00 0.00 C ATOM 823 CD LYS A 52 -2.817 -7.284 -6.581 1.00 0.00 C ATOM 824 CE LYS A 52 -4.295 -7.243 -6.975 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.841 -8.614 -7.083 1.00 0.00 N ATOM 0 H LYS A 52 0.809 -5.714 -9.133 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.920 -5.784 -9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.297 -5.750 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.888 -5.036 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.500 -7.276 -8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.130 -7.866 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.594 -8.232 -6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.607 -6.495 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.860 -6.678 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.410 -6.724 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.857 -8.601 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.702 -8.968 -8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.348 -9.238 -6.412 1.00 0.00 H new ATOM 839 N TYR A 53 -0.713 -2.834 -9.104 1.00 0.00 N ATOM 840 CA TYR A 53 -0.983 -1.409 -9.190 1.00 0.00 C ATOM 841 C TYR A 53 0.300 -0.624 -9.474 1.00 0.00 C ATOM 842 O TYR A 53 0.896 -0.051 -8.563 1.00 0.00 O ATOM 843 CB TYR A 53 -1.525 -0.998 -7.820 1.00 0.00 C ATOM 844 CG TYR A 53 -2.758 -1.787 -7.377 1.00 0.00 C ATOM 845 CD1 TYR A 53 -4.016 -1.385 -7.779 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.614 -2.901 -6.575 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.177 -2.127 -7.362 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.775 -3.644 -6.158 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.999 -3.220 -6.572 1.00 0.00 C ATOM 850 OH TYR A 53 -6.096 -3.921 -6.178 1.00 0.00 O ATOM 0 H TYR A 53 0.229 -3.072 -8.795 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.685 -1.200 -9.997 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.738 -1.125 -7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.774 0.063 -7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.129 -0.513 -8.407 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.630 -3.216 -6.260 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.167 -1.823 -7.669 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.676 -4.518 -5.531 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.794 -3.847 -6.862 1.00 0.00 H new ATOM 860 N PRO A 54 0.698 -0.624 -10.775 1.00 0.00 N ATOM 861 CA PRO A 54 1.899 0.080 -11.190 1.00 0.00 C ATOM 862 C PRO A 54 1.664 1.591 -11.226 1.00 0.00 C ATOM 863 O PRO A 54 2.509 2.366 -10.779 1.00 0.00 O ATOM 864 CB PRO A 54 2.244 -0.500 -12.552 1.00 0.00 C ATOM 865 CG PRO A 54 0.975 -1.168 -13.054 1.00 0.00 C ATOM 866 CD PRO A 54 0.017 -1.292 -11.880 1.00 0.00 C ATOM 0 HA PRO A 54 2.727 -0.054 -10.494 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.571 0.281 -13.238 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.060 -1.219 -12.475 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.525 -0.580 -13.854 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.199 -2.151 -13.469 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.941 -0.820 -12.099 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.189 -2.336 -11.645 1.00 0.00 H new ATOM 874 N LYS A 55 0.511 1.966 -11.761 1.00 0.00 N ATOM 875 CA LYS A 55 0.154 3.371 -11.861 1.00 0.00 C ATOM 876 C LYS A 55 -1.242 3.581 -11.272 1.00 0.00 C ATOM 877 O LYS A 55 -2.238 3.166 -11.863 1.00 0.00 O ATOM 878 CB LYS A 55 0.292 3.857 -13.305 1.00 0.00 C ATOM 879 CG LYS A 55 -0.352 2.869 -14.281 1.00 0.00 C ATOM 880 CD LYS A 55 -1.222 3.598 -15.306 1.00 0.00 C ATOM 881 CE LYS A 55 -2.290 2.666 -15.881 1.00 0.00 C ATOM 882 NZ LYS A 55 -3.600 3.351 -15.939 1.00 0.00 N ATOM 0 H LYS A 55 -0.188 1.321 -12.130 1.00 0.00 H new ATOM 0 HA LYS A 55 0.842 3.982 -11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.178 4.835 -13.410 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.346 3.982 -13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.424 2.302 -14.795 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.959 2.151 -13.729 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.699 4.458 -14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.596 3.981 -16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.998 2.342 -16.880 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.369 1.770 -15.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.313 2.704 -16.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.884 3.639 -14.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.525 4.193 -16.545 1.00 0.00 H new ATOM 896 N GLY A 56 -1.271 4.225 -10.115 1.00 0.00 N ATOM 897 CA GLY A 56 -2.529 4.495 -9.440 1.00 0.00 C ATOM 898 C GLY A 56 -2.302 4.785 -7.954 1.00 0.00 C ATOM 899 O GLY A 56 -3.022 5.584 -7.357 1.00 0.00 O ATOM 0 H GLY A 56 -0.443 4.568 -9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.022 5.346 -9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.196 3.640 -9.550 1.00 0.00 H new ATOM 903 N ILE A 57 -1.299 4.119 -7.401 1.00 0.00 N ATOM 904 CA ILE A 57 -0.969 4.295 -5.997 1.00 0.00 C ATOM 905 C ILE A 57 0.544 4.472 -5.851 1.00 0.00 C ATOM 906 O ILE A 57 1.299 4.166 -6.772 1.00 0.00 O ATOM 907 CB ILE A 57 -1.537 3.144 -5.164 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.297 1.799 -5.853 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.017 3.371 -4.851 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.196 1.565 -6.093 1.00 0.00 C ATOM 0 H ILE A 57 -0.704 3.457 -7.900 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.435 5.200 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.007 3.118 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.701 0.994 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.830 1.773 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.395 2.538 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.132 4.298 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.580 3.439 -5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.339 0.602 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.591 2.358 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.723 1.568 -5.139 1.00 0.00 H new ATOM 922 N HIS A 58 0.941 4.964 -4.687 1.00 0.00 N ATOM 923 CA HIS A 58 2.350 5.185 -4.409 1.00 0.00 C ATOM 924 C HIS A 58 2.721 4.519 -3.083 1.00 0.00 C ATOM 925 O HIS A 58 2.428 5.051 -2.013 1.00 0.00 O ATOM 926 CB HIS A 58 2.681 6.678 -4.437 1.00 0.00 C ATOM 927 CG HIS A 58 3.985 7.030 -3.761 1.00 0.00 C ATOM 928 ND1 HIS A 58 5.149 7.287 -4.465 1.00 0.00 N ATOM 929 CD2 HIS A 58 4.296 7.166 -2.440 1.00 0.00 C ATOM 930 CE1 HIS A 58 6.111 7.563 -3.596 1.00 0.00 C ATOM 931 NE2 HIS A 58 5.580 7.487 -2.342 1.00 0.00 N ATOM 0 H HIS A 58 0.311 5.216 -3.925 1.00 0.00 H new ATOM 0 HA HIS A 58 2.956 4.724 -5.189 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.719 7.012 -5.474 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.873 7.228 -3.954 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.249 7.267 -5.480 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.613 7.035 -1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.135 7.805 -3.838 1.00 0.00 H new ATOM 939 N VAL A 59 3.362 3.365 -3.196 1.00 0.00 N ATOM 940 CA VAL A 59 3.777 2.621 -2.019 1.00 0.00 C ATOM 941 C VAL A 59 5.043 3.255 -1.440 1.00 0.00 C ATOM 942 O VAL A 59 6.107 3.198 -2.054 1.00 0.00 O ATOM 943 CB VAL A 59 3.956 1.142 -2.370 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.268 0.316 -1.121 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.724 0.598 -3.095 1.00 0.00 C ATOM 0 H VAL A 59 3.604 2.927 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 59 3.008 2.667 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 59 4.806 1.058 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.390 -0.731 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.188 0.680 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.448 0.409 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.877 -0.455 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.849 0.701 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.567 1.159 -4.016 1.00 0.00 H new ATOM 955 N GLU A 60 4.885 3.846 -0.264 1.00 0.00 N ATOM 956 CA GLU A 60 6.003 4.491 0.405 1.00 0.00 C ATOM 957 C GLU A 60 6.340 3.755 1.704 1.00 0.00 C ATOM 958 O GLU A 60 5.479 3.106 2.295 1.00 0.00 O ATOM 959 CB GLU A 60 5.703 5.967 0.673 1.00 0.00 C ATOM 960 CG GLU A 60 4.465 6.123 1.557 1.00 0.00 C ATOM 961 CD GLU A 60 4.085 7.598 1.713 1.00 0.00 C ATOM 962 OE1 GLU A 60 5.013 8.432 1.649 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.876 7.856 1.893 1.00 0.00 O ATOM 0 H GLU A 60 4.001 3.892 0.242 1.00 0.00 H new ATOM 0 HA GLU A 60 6.871 4.444 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.561 6.434 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.547 6.488 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.631 5.573 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.657 5.687 2.538 1.00 0.00 H new ATOM 970 N THR A 61 7.595 3.882 2.109 1.00 0.00 N ATOM 971 CA THR A 61 8.057 3.237 3.326 1.00 0.00 C ATOM 972 C THR A 61 8.303 4.278 4.421 1.00 0.00 C ATOM 973 O THR A 61 9.289 5.011 4.374 1.00 0.00 O ATOM 974 CB THR A 61 9.298 2.412 2.983 1.00 0.00 C ATOM 975 OG1 THR A 61 8.781 1.278 2.291 1.00 0.00 O ATOM 976 CG2 THR A 61 9.968 1.817 4.224 1.00 0.00 C ATOM 0 H THR A 61 8.306 4.422 1.616 1.00 0.00 H new ATOM 0 HA THR A 61 7.301 2.562 3.727 1.00 0.00 H new ATOM 0 HB THR A 61 10.013 3.038 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.454 1.554 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.843 1.241 3.924 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.274 2.621 4.893 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.264 1.164 4.740 1.00 0.00 H new ATOM 1127 N HIS A 70 7.389 0.757 7.735 1.00 0.00 N ATOM 1128 CA HIS A 70 6.117 0.160 7.366 1.00 0.00 C ATOM 1129 C HIS A 70 5.697 0.661 5.982 1.00 0.00 C ATOM 1130 O HIS A 70 5.970 1.806 5.624 1.00 0.00 O ATOM 1131 CB HIS A 70 5.059 0.427 8.439 1.00 0.00 C ATOM 1132 CG HIS A 70 4.314 1.728 8.257 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.988 1.889 8.618 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.724 2.926 7.750 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.626 3.132 8.336 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.703 3.773 7.797 1.00 0.00 N ATOM 0 HA HIS A 70 6.224 -0.923 7.306 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.342 -0.394 8.439 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.541 0.430 9.417 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.391 1.173 9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.712 3.148 7.374 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.650 3.562 8.503 1.00 0.00 H new ATOM 1144 N ILE A 71 5.041 -0.221 5.243 1.00 0.00 N ATOM 1145 CA ILE A 71 4.582 0.117 3.906 1.00 0.00 C ATOM 1146 C ILE A 71 3.335 0.998 4.008 1.00 0.00 C ATOM 1147 O ILE A 71 2.504 0.803 4.894 1.00 0.00 O ATOM 1148 CB ILE A 71 4.373 -1.150 3.075 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.706 -1.845 2.790 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.601 -0.842 1.790 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.484 -3.207 2.128 1.00 0.00 C ATOM 0 H ILE A 71 4.816 -1.169 5.544 1.00 0.00 H new ATOM 0 HA ILE A 71 5.340 0.695 3.378 1.00 0.00 H new ATOM 0 HB ILE A 71 3.766 -1.844 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.316 -1.217 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.259 -1.975 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.466 -1.760 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.626 -0.425 2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.160 -0.121 1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.447 -3.680 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.894 -3.841 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.952 -3.071 1.186 1.00 0.00 H new ATOM 1163 N VAL A 72 3.245 1.949 3.090 1.00 0.00 N ATOM 1164 CA VAL A 72 2.113 2.860 3.065 1.00 0.00 C ATOM 1165 C VAL A 72 1.667 3.073 1.618 1.00 0.00 C ATOM 1166 O VAL A 72 2.486 3.364 0.748 1.00 0.00 O ATOM 1167 CB VAL A 72 2.477 4.165 3.777 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.614 5.323 3.273 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.361 4.013 5.295 1.00 0.00 C ATOM 0 H VAL A 72 3.937 2.109 2.358 1.00 0.00 H new ATOM 0 HA VAL A 72 1.268 2.434 3.606 1.00 0.00 H new ATOM 0 HB VAL A 72 3.516 4.396 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.893 6.238 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.770 5.454 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.563 5.103 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.625 4.955 5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.337 3.746 5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.038 3.229 5.635 1.00 0.00 H new ATOM 1179 N ILE A 73 0.368 2.920 1.404 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.197 3.092 0.076 1.00 0.00 C ATOM 1181 C ILE A 73 -0.878 4.459 -0.010 1.00 0.00 C ATOM 1182 O ILE A 73 -1.898 4.691 0.637 1.00 0.00 O ATOM 1183 CB ILE A 73 -1.122 1.922 -0.268 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.376 0.589 -0.177 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.773 2.122 -1.637 1.00 0.00 C ATOM 1186 CD1 ILE A 73 -0.020 0.257 1.273 1.00 0.00 C ATOM 0 H ILE A 73 -0.309 2.679 2.128 1.00 0.00 H new ATOM 0 HA ILE A 73 0.590 3.079 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.925 1.893 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.993 -0.206 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.533 0.635 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.425 1.277 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.360 3.041 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.999 2.192 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.509 -0.695 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.617 1.042 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.933 0.187 1.865 1.00 0.00 H new ATOM 1198 N SER A 74 -0.286 5.329 -0.816 1.00 0.00 N ATOM 1199 CA SER A 74 -0.822 6.667 -0.995 1.00 0.00 C ATOM 1200 C SER A 74 -1.383 6.821 -2.410 1.00 0.00 C ATOM 1201 O SER A 74 -0.721 6.470 -3.386 1.00 0.00 O ATOM 1202 CB SER A 74 0.247 7.729 -0.730 1.00 0.00 C ATOM 1203 OG SER A 74 1.073 7.390 0.380 1.00 0.00 O ATOM 0 H SER A 74 0.559 5.133 -1.352 1.00 0.00 H new ATOM 0 HA SER A 74 -1.626 6.812 -0.274 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.866 7.850 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.234 8.689 -0.544 1.00 0.00 H new ATOM 0 HG SER A 74 1.577 8.180 0.666 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.598 7.345 -2.477 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.256 7.549 -3.757 1.00 0.00 C ATOM 1211 C LYS A 75 -2.338 8.360 -4.674 1.00 0.00 C ATOM 1212 O LYS A 75 -1.641 9.265 -4.217 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.636 8.178 -3.556 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.705 7.102 -3.357 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.818 7.599 -2.432 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.195 7.199 -2.967 1.00 0.00 C ATOM 1217 NZ LYS A 75 -8.838 8.345 -3.649 1.00 0.00 N ATOM 0 H LYS A 75 -3.144 7.635 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.436 6.593 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.615 8.840 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.889 8.792 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.127 6.821 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.250 6.206 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.678 7.185 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.761 8.684 -2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.094 6.365 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.825 6.856 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.771 8.057 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.952 9.130 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.243 8.654 -4.444 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.368 8.008 -5.950 1.00 0.00 N ATOM 1232 CA VAL A 76 -1.547 8.692 -6.935 1.00 0.00 C ATOM 1233 C VAL A 76 -2.443 9.236 -8.049 1.00 0.00 C ATOM 1234 O VAL A 76 -3.593 8.822 -8.184 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.456 7.751 -7.451 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.351 8.411 -8.571 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.458 7.294 -6.312 1.00 0.00 C ATOM 0 H VAL A 76 -2.948 7.258 -6.325 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.037 9.543 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.943 6.867 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.120 7.722 -8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.313 8.663 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.822 9.319 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.224 6.626 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.933 8.163 -5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.131 6.767 -5.562 1.00 0.00 H new