USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 667 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 52 ASN : amide:sc= -5.62! C(o=-10!,f=-11!) USER MOD Set 1.2: B 16 SER OG : rot 80:sc= -4.49! USER MOD Set 2.1: A 42 LYS NZ :NH3+ -133:sc= 0.191 (180deg=0.872) USER MOD Set 2.2: A 46 MET CE :methyl -104:sc= -4.67! (180deg=-8.84!) USER MOD Set 3.1: A 33 GLN : amide:sc= 0.212 K(o=-8.3,f=-10) USER MOD Set 3.2: A 36 HIS : no HE2:sc= -8.53! C(o=-8.3!,f=-7.6!) USER MOD Single : A 8 THR OG1 : rot -24:sc= 0.274 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -131:sc= -2.54 (180deg=-11.6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.206 K(o=-0.21,f=-3.5!) USER MOD Single : A 20 GLN : amide:sc= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.209) USER MOD Single : A 22 GLN : amide:sc= -1.66 K(o=-1.7,f=-4.7!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 44 THR OG1 : rot 90:sc= 1.16 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 58 MET CE :methyl -145:sc= -7.45! (180deg=-11.3!) USER MOD Single : A 61 SER OG : rot 180:sc=-0.000832 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 139:sc= 1.11 (180deg=-0.601) USER MOD Single : A 77 GLN : amide:sc= -0.098 K(o=-0.098,f=-1.2) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 152:sc= -0.389 (180deg=-1.63!) USER MOD Single : B 7 SER OG : rot -90:sc= -1.49! USER MOD Single : B 9 ASN : amide:sc= -0.567 K(o=-0.57,f=-4.4!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.386 -8.718 -11.502 1.00 0.00 N ATOM 95 CA THR A 8 -4.082 -7.444 -11.374 1.00 0.00 C ATOM 96 C THR A 8 -5.013 -7.218 -12.548 1.00 0.00 C ATOM 97 O THR A 8 -6.116 -6.698 -12.377 1.00 0.00 O ATOM 98 CB THR A 8 -3.067 -6.299 -11.303 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.082 -6.440 -12.311 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.350 -6.205 -9.973 1.00 0.00 C ATOM 0 HA THR A 8 -4.672 -7.469 -10.458 1.00 0.00 H new ATOM 0 HB THR A 8 -3.653 -5.391 -11.442 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.017 -7.382 -12.575 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.647 -5.372 -9.996 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.078 -6.044 -9.178 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.808 -7.132 -9.786 1.00 0.00 H new ATOM 108 N ALA A 9 -4.604 -7.647 -13.736 1.00 0.00 N ATOM 109 CA ALA A 9 -5.451 -7.509 -14.902 1.00 0.00 C ATOM 110 C ALA A 9 -6.757 -8.258 -14.666 1.00 0.00 C ATOM 111 O ALA A 9 -7.819 -7.648 -14.541 1.00 0.00 O ATOM 112 CB ALA A 9 -4.744 -8.035 -16.144 1.00 0.00 C ATOM 0 H ALA A 9 -3.701 -8.088 -13.911 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.669 -6.454 -15.066 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.397 -7.922 -17.009 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.826 -7.471 -16.306 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.503 -9.089 -16.006 1.00 0.00 H new ATOM 118 N SER A 10 -6.675 -9.585 -14.633 1.00 0.00 N ATOM 119 CA SER A 10 -7.858 -10.423 -14.441 1.00 0.00 C ATOM 120 C SER A 10 -8.598 -10.078 -13.150 1.00 0.00 C ATOM 121 O SER A 10 -9.807 -10.310 -13.039 1.00 0.00 O ATOM 122 CB SER A 10 -7.453 -11.896 -14.427 1.00 0.00 C ATOM 123 OG SER A 10 -7.060 -12.325 -15.717 1.00 0.00 O ATOM 0 H SER A 10 -5.803 -10.104 -14.736 1.00 0.00 H new ATOM 0 HA SER A 10 -8.536 -10.233 -15.273 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.633 -12.045 -13.725 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.287 -12.503 -14.076 1.00 0.00 H new ATOM 0 HG SER A 10 -6.803 -13.270 -15.683 1.00 0.00 H new ATOM 129 N MET A 11 -7.894 -9.496 -12.187 1.00 0.00 N ATOM 130 CA MET A 11 -8.532 -9.121 -10.940 1.00 0.00 C ATOM 131 C MET A 11 -9.604 -8.068 -11.213 1.00 0.00 C ATOM 132 O MET A 11 -10.695 -8.116 -10.648 1.00 0.00 O ATOM 133 CB MET A 11 -7.477 -8.632 -9.941 1.00 0.00 C ATOM 134 CG MET A 11 -7.676 -7.215 -9.450 1.00 0.00 C ATOM 135 SD MET A 11 -9.031 -7.081 -8.266 1.00 0.00 S ATOM 136 CE MET A 11 -9.967 -5.729 -8.973 1.00 0.00 C ATOM 0 H MET A 11 -6.899 -9.278 -12.246 1.00 0.00 H new ATOM 0 HA MET A 11 -9.023 -9.986 -10.494 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.473 -9.302 -9.081 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.494 -8.705 -10.407 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.755 -6.862 -8.986 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.875 -6.563 -10.301 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.190 -4.996 -8.198 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.383 -5.256 -9.762 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.899 -6.111 -9.390 1.00 0.00 H new ATOM 146 N LEU A 12 -9.287 -7.135 -12.098 1.00 0.00 N ATOM 147 CA LEU A 12 -10.232 -6.090 -12.467 1.00 0.00 C ATOM 148 C LEU A 12 -11.449 -6.711 -13.143 1.00 0.00 C ATOM 149 O LEU A 12 -12.581 -6.532 -12.691 1.00 0.00 O ATOM 150 CB LEU A 12 -9.577 -5.051 -13.390 1.00 0.00 C ATOM 151 CG LEU A 12 -10.006 -3.598 -13.138 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.439 -3.374 -13.599 1.00 0.00 C ATOM 153 CD2 LEU A 12 -9.859 -3.240 -11.663 1.00 0.00 C ATOM 0 H LEU A 12 -8.386 -7.079 -12.573 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.549 -5.576 -11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.495 -5.119 -13.279 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.808 -5.308 -14.424 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.352 -2.946 -13.716 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.724 -2.339 -13.412 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.515 -3.584 -14.666 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.106 -4.039 -13.050 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.168 -2.207 -11.507 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.486 -3.901 -11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.818 -3.357 -11.362 1.00 0.00 H new ATOM 165 N ALA A 13 -11.210 -7.459 -14.220 1.00 0.00 N ATOM 166 CA ALA A 13 -12.283 -8.129 -14.956 1.00 0.00 C ATOM 167 C ALA A 13 -12.886 -9.291 -14.163 1.00 0.00 C ATOM 168 O ALA A 13 -13.679 -10.066 -14.694 1.00 0.00 O ATOM 169 CB ALA A 13 -11.748 -8.638 -16.277 1.00 0.00 C ATOM 0 H ALA A 13 -10.278 -7.617 -14.604 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.075 -7.400 -15.125 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.547 -9.137 -16.825 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.373 -7.800 -16.865 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.938 -9.344 -16.094 1.00 0.00 H new ATOM 175 N SER A 14 -12.537 -9.378 -12.887 1.00 0.00 N ATOM 176 CA SER A 14 -13.071 -10.417 -12.016 1.00 0.00 C ATOM 177 C SER A 14 -14.366 -9.936 -11.365 1.00 0.00 C ATOM 178 O SER A 14 -15.282 -10.720 -11.121 1.00 0.00 O ATOM 179 CB SER A 14 -12.053 -10.798 -10.938 1.00 0.00 C ATOM 180 OG SER A 14 -12.213 -12.149 -10.544 1.00 0.00 O ATOM 0 H SER A 14 -11.885 -8.740 -12.431 1.00 0.00 H new ATOM 0 HA SER A 14 -13.279 -11.300 -12.620 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.042 -10.643 -11.316 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.173 -10.146 -10.073 1.00 0.00 H new ATOM 0 HG SER A 14 -11.551 -12.370 -9.856 1.00 0.00 H new ATOM 186 N ALA A 15 -14.421 -8.637 -11.066 1.00 0.00 N ATOM 187 CA ALA A 15 -15.593 -8.049 -10.422 1.00 0.00 C ATOM 188 C ALA A 15 -16.092 -6.806 -11.166 1.00 0.00 C ATOM 189 O ALA A 15 -16.074 -5.699 -10.630 1.00 0.00 O ATOM 190 CB ALA A 15 -15.259 -7.705 -8.975 1.00 0.00 C ATOM 0 H ALA A 15 -13.669 -7.975 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.398 -8.783 -10.448 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.133 -7.266 -8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.969 -8.611 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.436 -6.991 -8.951 1.00 0.00 H new ATOM 196 N PRO A 16 -16.542 -6.979 -12.424 1.00 0.00 N ATOM 197 CA PRO A 16 -17.042 -5.884 -13.255 1.00 0.00 C ATOM 198 C PRO A 16 -17.943 -4.901 -12.496 1.00 0.00 C ATOM 199 O PRO A 16 -17.731 -3.690 -12.566 1.00 0.00 O ATOM 200 CB PRO A 16 -17.842 -6.585 -14.365 1.00 0.00 C ATOM 201 CG PRO A 16 -17.681 -8.063 -14.152 1.00 0.00 C ATOM 202 CD PRO A 16 -16.583 -8.258 -13.140 1.00 0.00 C ATOM 0 HA PRO A 16 -16.216 -5.276 -13.623 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.893 -6.301 -14.321 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.474 -6.294 -15.349 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.613 -8.503 -13.796 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.431 -8.560 -15.089 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.801 -9.087 -12.467 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.630 -8.479 -13.620 1.00 0.00 H new ATOM 210 N PRO A 17 -18.970 -5.403 -11.778 1.00 0.00 N ATOM 211 CA PRO A 17 -19.905 -4.551 -11.027 1.00 0.00 C ATOM 212 C PRO A 17 -19.202 -3.549 -10.120 1.00 0.00 C ATOM 213 O PRO A 17 -18.033 -3.238 -10.312 1.00 0.00 O ATOM 214 CB PRO A 17 -20.704 -5.550 -10.190 1.00 0.00 C ATOM 215 CG PRO A 17 -20.651 -6.819 -10.965 1.00 0.00 C ATOM 216 CD PRO A 17 -19.316 -6.833 -11.660 1.00 0.00 C ATOM 0 HA PRO A 17 -20.513 -3.942 -11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.269 -5.673 -9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.732 -5.215 -10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.756 -7.681 -10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.466 -6.868 -11.687 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.570 -7.380 -11.083 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -19.378 -7.312 -12.637 1.00 0.00 H new ATOM 224 N GLN A 18 -19.929 -3.046 -9.130 1.00 0.00 N ATOM 225 CA GLN A 18 -19.388 -2.069 -8.188 1.00 0.00 C ATOM 226 C GLN A 18 -18.081 -2.549 -7.555 1.00 0.00 C ATOM 227 O GLN A 18 -17.328 -1.748 -7.004 1.00 0.00 O ATOM 228 CB GLN A 18 -20.421 -1.753 -7.100 1.00 0.00 C ATOM 229 CG GLN A 18 -21.160 -2.973 -6.570 1.00 0.00 C ATOM 230 CD GLN A 18 -22.504 -3.178 -7.241 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.722 -2.731 -8.368 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.416 -3.857 -6.553 1.00 0.00 N ATOM 0 H GLN A 18 -20.902 -3.300 -8.957 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.166 -1.161 -8.748 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.918 -1.258 -6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.148 -1.046 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.544 -3.860 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.307 -2.865 -5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.194 -4.210 -5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.338 -4.025 -6.956 1.00 0.00 H new ATOM 241 N GLU A 19 -17.796 -3.847 -7.656 1.00 0.00 N ATOM 242 CA GLU A 19 -16.559 -4.393 -7.109 1.00 0.00 C ATOM 243 C GLU A 19 -15.424 -4.230 -8.118 1.00 0.00 C ATOM 244 O GLU A 19 -14.528 -5.070 -8.199 1.00 0.00 O ATOM 245 CB GLU A 19 -16.733 -5.877 -6.772 1.00 0.00 C ATOM 246 CG GLU A 19 -17.645 -6.132 -5.586 1.00 0.00 C ATOM 247 CD GLU A 19 -19.071 -6.452 -6.000 1.00 0.00 C ATOM 248 OE1 GLU A 19 -19.335 -6.515 -7.220 1.00 0.00 O ATOM 249 OE2 GLU A 19 -19.922 -6.637 -5.105 1.00 0.00 O ATOM 0 H GLU A 19 -18.400 -4.533 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.315 -3.848 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.133 -6.394 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.754 -6.311 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.247 -6.960 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.647 -5.254 -4.939 1.00 0.00 H new ATOM 256 N GLN A 20 -15.438 -3.117 -8.848 1.00 0.00 N ATOM 257 CA GLN A 20 -14.382 -2.827 -9.810 1.00 0.00 C ATOM 258 C GLN A 20 -13.087 -2.514 -9.066 1.00 0.00 C ATOM 259 O GLN A 20 -12.259 -3.393 -8.821 1.00 0.00 O ATOM 260 CB GLN A 20 -14.752 -1.657 -10.756 1.00 0.00 C ATOM 261 CG GLN A 20 -16.108 -1.019 -10.490 1.00 0.00 C ATOM 262 CD GLN A 20 -16.581 -0.149 -11.638 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.736 -0.230 -12.059 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.689 0.691 -12.154 1.00 0.00 N ATOM 0 H GLN A 20 -16.166 -2.405 -8.791 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.249 -3.711 -10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.984 -0.888 -10.676 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.734 -2.021 -11.783 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.844 -1.802 -10.306 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.050 -0.417 -9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.743 0.726 -11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.951 1.300 -12.929 1.00 0.00 H new ATOM 273 N LYS A 21 -12.941 -1.246 -8.709 1.00 0.00 N ATOM 274 CA LYS A 21 -11.774 -0.750 -7.989 1.00 0.00 C ATOM 275 C LYS A 21 -11.850 -1.066 -6.494 1.00 0.00 C ATOM 276 O LYS A 21 -11.116 -0.483 -5.696 1.00 0.00 O ATOM 277 CB LYS A 21 -11.648 0.760 -8.208 1.00 0.00 C ATOM 278 CG LYS A 21 -12.208 1.226 -9.549 1.00 0.00 C ATOM 279 CD LYS A 21 -11.107 1.656 -10.505 1.00 0.00 C ATOM 280 CE LYS A 21 -10.552 0.466 -11.272 1.00 0.00 C ATOM 281 NZ LYS A 21 -11.269 0.256 -12.560 1.00 0.00 N ATOM 0 H LYS A 21 -13.634 -0.526 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.891 -1.256 -8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.168 1.281 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.597 1.043 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.786 0.420 -10.001 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.893 2.058 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.497 2.394 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.305 2.139 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.491 0.622 -11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.634 -0.432 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.742 -0.424 -13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.222 -0.115 -12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.345 1.161 -13.067 1.00 0.00 H new ATOM 295 N GLN A 22 -12.733 -1.987 -6.115 1.00 0.00 N ATOM 296 CA GLN A 22 -12.893 -2.360 -4.707 1.00 0.00 C ATOM 297 C GLN A 22 -11.628 -2.989 -4.143 1.00 0.00 C ATOM 298 O GLN A 22 -10.981 -2.416 -3.262 1.00 0.00 O ATOM 299 CB GLN A 22 -14.073 -3.318 -4.533 1.00 0.00 C ATOM 300 CG GLN A 22 -15.254 -2.689 -3.810 1.00 0.00 C ATOM 301 CD GLN A 22 -16.159 -3.709 -3.146 1.00 0.00 C ATOM 302 OE1 GLN A 22 -17.364 -3.744 -3.399 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.584 -4.542 -2.287 1.00 0.00 N ATOM 0 H GLN A 22 -13.347 -2.488 -6.757 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.091 -1.444 -4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.399 -3.665 -5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.741 -4.196 -3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.883 -1.996 -3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.837 -2.103 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.582 -4.478 -2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.144 -5.246 -1.807 1.00 0.00 H new ATOM 312 N MET A 23 -11.274 -4.164 -4.642 1.00 0.00 N ATOM 313 CA MET A 23 -10.086 -4.858 -4.169 1.00 0.00 C ATOM 314 C MET A 23 -8.861 -3.948 -4.271 1.00 0.00 C ATOM 315 O MET A 23 -8.545 -3.232 -3.328 1.00 0.00 O ATOM 316 CB MET A 23 -9.873 -6.161 -4.951 1.00 0.00 C ATOM 317 CG MET A 23 -11.117 -7.036 -5.029 1.00 0.00 C ATOM 318 SD MET A 23 -11.034 -8.468 -3.937 1.00 0.00 S ATOM 319 CE MET A 23 -12.045 -7.906 -2.572 1.00 0.00 C ATOM 0 H MET A 23 -11.790 -4.655 -5.372 1.00 0.00 H new ATOM 0 HA MET A 23 -10.229 -5.117 -3.120 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.546 -5.919 -5.962 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.069 -6.728 -4.483 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.992 -6.439 -4.772 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.253 -7.375 -6.056 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.092 -8.684 -1.810 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.609 -7.004 -2.143 1.00 0.00 H new ATOM 0 HE3 MET A 23 -13.051 -7.688 -2.930 1.00 0.00 H new ATOM 329 N LEU A 24 -8.178 -3.983 -5.406 1.00 0.00 N ATOM 330 CA LEU A 24 -6.984 -3.164 -5.628 1.00 0.00 C ATOM 331 C LEU A 24 -7.275 -1.666 -5.582 1.00 0.00 C ATOM 332 O LEU A 24 -6.881 -0.941 -6.496 1.00 0.00 O ATOM 333 CB LEU A 24 -6.347 -3.508 -6.977 1.00 0.00 C ATOM 334 CG LEU A 24 -7.301 -3.924 -8.097 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.310 -2.824 -8.415 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.490 -4.296 -9.326 1.00 0.00 C ATOM 0 H LEU A 24 -8.430 -4.575 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.297 -3.394 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.779 -2.642 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.632 -4.316 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.876 -4.789 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.971 -3.157 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.900 -2.603 -7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.781 -1.925 -8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.163 -4.594 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.900 -3.437 -9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.824 -5.124 -9.085 1.00 0.00 H new ATOM 348 N GLY A 25 -7.943 -1.190 -4.525 1.00 0.00 N ATOM 349 CA GLY A 25 -8.243 0.223 -4.424 1.00 0.00 C ATOM 350 C GLY A 25 -8.432 0.874 -5.781 1.00 0.00 C ATOM 351 O GLY A 25 -8.970 0.258 -6.703 1.00 0.00 O ATOM 0 H GLY A 25 -8.276 -1.758 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.147 0.358 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.435 0.726 -3.893 1.00 0.00 H new ATOM 355 N GLU A 26 -7.969 2.106 -5.908 1.00 0.00 N ATOM 356 CA GLU A 26 -8.061 2.826 -7.168 1.00 0.00 C ATOM 357 C GLU A 26 -7.027 2.277 -8.159 1.00 0.00 C ATOM 358 O GLU A 26 -7.335 1.417 -8.986 1.00 0.00 O ATOM 359 CB GLU A 26 -7.892 4.346 -6.970 1.00 0.00 C ATOM 360 CG GLU A 26 -7.597 4.782 -5.533 1.00 0.00 C ATOM 361 CD GLU A 26 -8.769 4.605 -4.583 1.00 0.00 C ATOM 362 OE1 GLU A 26 -9.110 3.448 -4.257 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.351 5.628 -4.164 1.00 0.00 O ATOM 0 H GLU A 26 -7.525 2.629 -5.153 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.058 2.670 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.083 4.693 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.802 4.844 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.748 4.211 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.299 5.831 -5.536 1.00 0.00 H new ATOM 370 N ARG A 27 -5.803 2.802 -8.071 1.00 0.00 N ATOM 371 CA ARG A 27 -4.710 2.393 -8.960 1.00 0.00 C ATOM 372 C ARG A 27 -3.372 2.299 -8.214 1.00 0.00 C ATOM 373 O ARG A 27 -2.306 2.207 -8.832 1.00 0.00 O ATOM 374 CB ARG A 27 -4.578 3.391 -10.114 1.00 0.00 C ATOM 375 CG ARG A 27 -5.305 2.980 -11.387 1.00 0.00 C ATOM 376 CD ARG A 27 -4.968 1.558 -11.804 1.00 0.00 C ATOM 377 NE ARG A 27 -4.987 1.397 -13.256 1.00 0.00 N ATOM 378 CZ ARG A 27 -4.927 0.220 -13.868 1.00 0.00 C ATOM 379 NH1 ARG A 27 -4.866 -0.900 -13.158 1.00 0.00 N ATOM 380 NH2 ARG A 27 -4.933 0.158 -15.193 1.00 0.00 N ATOM 0 H ARG A 27 -5.542 3.515 -7.390 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.953 1.403 -9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.961 4.358 -9.788 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.521 3.527 -10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.381 3.067 -11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.041 3.666 -12.192 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.982 1.292 -11.422 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.682 0.869 -11.353 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.050 2.236 -13.832 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.865 -0.858 -12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.820 -1.802 -13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.984 1.015 -15.743 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.887 -0.747 -15.661 1.00 0.00 H new ATOM 394 N LEU A 28 -3.422 2.317 -6.890 1.00 0.00 N ATOM 395 CA LEU A 28 -2.207 2.240 -6.083 1.00 0.00 C ATOM 396 C LEU A 28 -1.663 0.822 -5.988 1.00 0.00 C ATOM 397 O LEU A 28 -0.466 0.592 -6.163 1.00 0.00 O ATOM 398 CB LEU A 28 -2.479 2.768 -4.688 1.00 0.00 C ATOM 399 CG LEU A 28 -2.238 4.258 -4.534 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.009 4.787 -3.341 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.744 4.536 -4.428 1.00 0.00 C ATOM 0 H LEU A 28 -4.285 2.384 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.453 2.852 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.513 2.548 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.848 2.233 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.604 4.784 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.830 5.857 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.074 4.610 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.678 4.275 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.580 5.608 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.338 4.016 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.243 4.183 -5.330 1.00 0.00 H new ATOM 413 N PHE A 29 -2.547 -0.125 -5.715 1.00 0.00 N ATOM 414 CA PHE A 29 -2.163 -1.526 -5.597 1.00 0.00 C ATOM 415 C PHE A 29 -1.290 -1.961 -6.771 1.00 0.00 C ATOM 416 O PHE A 29 -0.258 -2.596 -6.576 1.00 0.00 O ATOM 417 CB PHE A 29 -3.417 -2.392 -5.519 1.00 0.00 C ATOM 418 CG PHE A 29 -3.214 -3.746 -4.892 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.393 -3.933 -3.788 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.873 -4.836 -5.414 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.246 -5.195 -3.229 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.738 -6.089 -4.865 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.923 -6.275 -3.769 1.00 0.00 C ATOM 0 H PHE A 29 -3.541 0.051 -5.570 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.578 -1.650 -4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.177 -1.855 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.809 -2.529 -6.527 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.866 -3.092 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.511 -4.704 -6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.603 -5.334 -2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.270 -6.927 -5.292 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.813 -7.257 -3.334 1.00 0.00 H new ATOM 433 N PRO A 30 -1.681 -1.607 -8.007 1.00 0.00 N ATOM 434 CA PRO A 30 -0.912 -1.949 -9.206 1.00 0.00 C ATOM 435 C PRO A 30 0.493 -1.359 -9.160 1.00 0.00 C ATOM 436 O PRO A 30 1.478 -2.034 -9.462 1.00 0.00 O ATOM 437 CB PRO A 30 -1.708 -1.311 -10.353 1.00 0.00 C ATOM 438 CG PRO A 30 -3.066 -1.049 -9.799 1.00 0.00 C ATOM 439 CD PRO A 30 -2.884 -0.829 -8.328 1.00 0.00 C ATOM 0 HA PRO A 30 -0.785 -3.026 -9.311 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.237 -0.388 -10.691 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.758 -1.977 -11.214 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.516 -0.175 -10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.732 -1.891 -9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.752 0.227 -8.094 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.748 -1.175 -7.761 1.00 0.00 H new ATOM 447 N LEU A 31 0.567 -0.080 -8.796 1.00 0.00 N ATOM 448 CA LEU A 31 1.847 0.630 -8.724 1.00 0.00 C ATOM 449 C LEU A 31 2.697 0.138 -7.556 1.00 0.00 C ATOM 450 O LEU A 31 3.886 -0.186 -7.708 1.00 0.00 O ATOM 451 CB LEU A 31 1.606 2.133 -8.584 1.00 0.00 C ATOM 452 CG LEU A 31 0.574 2.727 -9.553 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.103 4.102 -9.090 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.153 2.822 -10.954 1.00 0.00 C ATOM 0 H LEU A 31 -0.243 0.487 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 31 2.389 0.428 -9.648 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.282 2.338 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.554 2.651 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.288 2.059 -9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.627 4.494 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.357 4.017 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.955 4.779 -9.035 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.408 3.245 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.035 3.462 -10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.432 1.827 -11.301 1.00 0.00 H new ATOM 466 N ILE A 32 2.080 0.054 -6.392 1.00 0.00 N ATOM 467 CA ILE A 32 2.790 -0.414 -5.222 1.00 0.00 C ATOM 468 C ILE A 32 3.144 -1.877 -5.399 1.00 0.00 C ATOM 469 O ILE A 32 4.258 -2.288 -5.092 1.00 0.00 O ATOM 470 CB ILE A 32 1.987 -0.210 -3.933 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.903 -0.453 -2.730 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.764 -1.118 -3.918 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.117 -1.914 -2.394 1.00 0.00 C ATOM 0 H ILE A 32 1.103 0.300 -6.235 1.00 0.00 H new ATOM 0 HA ILE A 32 3.700 0.178 -5.124 1.00 0.00 H new ATOM 0 HB ILE A 32 1.619 0.814 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.871 0.008 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.481 0.050 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.205 -0.960 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.128 -0.886 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.083 -2.159 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.777 -1.996 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.158 -2.378 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.570 -2.421 -3.246 1.00 0.00 H new ATOM 485 N GLN A 33 2.211 -2.657 -5.939 1.00 0.00 N ATOM 486 CA GLN A 33 2.473 -4.063 -6.195 1.00 0.00 C ATOM 487 C GLN A 33 3.857 -4.211 -6.832 1.00 0.00 C ATOM 488 O GLN A 33 4.637 -5.100 -6.477 1.00 0.00 O ATOM 489 CB GLN A 33 1.414 -4.651 -7.122 1.00 0.00 C ATOM 490 CG GLN A 33 0.253 -5.281 -6.379 1.00 0.00 C ATOM 491 CD GLN A 33 0.399 -6.782 -6.246 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.475 -7.336 -6.475 1.00 0.00 O ATOM 493 NE2 GLN A 33 -0.685 -7.450 -5.871 1.00 0.00 N ATOM 0 H GLN A 33 1.278 -2.340 -6.204 1.00 0.00 H new ATOM 0 HA GLN A 33 2.440 -4.604 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.035 -3.865 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.877 -5.402 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.176 -4.837 -5.387 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.676 -5.054 -6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.556 -6.950 -5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.647 -8.463 -5.762 1.00 0.00 H new ATOM 502 N ALA A 34 4.146 -3.312 -7.777 1.00 0.00 N ATOM 503 CA ALA A 34 5.427 -3.304 -8.487 1.00 0.00 C ATOM 504 C ALA A 34 6.605 -3.184 -7.532 1.00 0.00 C ATOM 505 O ALA A 34 7.669 -3.757 -7.764 1.00 0.00 O ATOM 506 CB ALA A 34 5.465 -2.171 -9.504 1.00 0.00 C ATOM 0 H ALA A 34 3.504 -2.575 -8.069 1.00 0.00 H new ATOM 0 HA ALA A 34 5.515 -4.258 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.424 -2.180 -10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.660 -2.304 -10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.338 -1.217 -8.991 1.00 0.00 H new ATOM 512 N MET A 35 6.409 -2.425 -6.469 1.00 0.00 N ATOM 513 CA MET A 35 7.462 -2.216 -5.480 1.00 0.00 C ATOM 514 C MET A 35 7.280 -3.145 -4.280 1.00 0.00 C ATOM 515 O MET A 35 8.206 -3.850 -3.880 1.00 0.00 O ATOM 516 CB MET A 35 7.476 -0.763 -5.013 1.00 0.00 C ATOM 517 CG MET A 35 8.336 0.141 -5.875 1.00 0.00 C ATOM 518 SD MET A 35 10.081 0.088 -5.421 1.00 0.00 S ATOM 519 CE MET A 35 10.173 1.446 -4.256 1.00 0.00 C ATOM 0 H MET A 35 5.534 -1.942 -6.265 1.00 0.00 H new ATOM 0 HA MET A 35 8.416 -2.447 -5.954 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.455 -0.382 -5.007 1.00 0.00 H new ATOM 0 HB3 MET A 35 7.837 -0.723 -3.985 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.228 -0.151 -6.920 1.00 0.00 H new ATOM 0 HG3 MET A 35 7.975 1.166 -5.792 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.194 1.539 -3.886 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.881 2.371 -4.752 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.500 1.254 -3.420 1.00 0.00 H new ATOM 529 N HIS A 36 6.074 -3.164 -3.727 1.00 0.00 N ATOM 530 CA HIS A 36 5.757 -4.027 -2.593 1.00 0.00 C ATOM 531 C HIS A 36 6.687 -3.788 -1.411 1.00 0.00 C ATOM 532 O HIS A 36 7.243 -4.732 -0.849 1.00 0.00 O ATOM 533 CB HIS A 36 5.821 -5.498 -3.006 1.00 0.00 C ATOM 534 CG HIS A 36 4.483 -6.076 -3.338 1.00 0.00 C ATOM 535 ND1 HIS A 36 4.284 -7.399 -3.670 1.00 0.00 N ATOM 536 CD2 HIS A 36 3.267 -5.493 -3.384 1.00 0.00 C ATOM 537 CE1 HIS A 36 2.999 -7.606 -3.901 1.00 0.00 C ATOM 538 NE2 HIS A 36 2.360 -6.465 -3.732 1.00 0.00 N ATOM 0 H HIS A 36 5.295 -2.589 -4.046 1.00 0.00 H new ATOM 0 HA HIS A 36 4.744 -3.778 -2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.477 -5.598 -3.871 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.269 -6.076 -2.198 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.015 -8.108 -3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.047 -4.455 -3.184 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.550 -8.548 -4.180 1.00 0.00 H new ATOM 546 N PRO A 37 6.857 -2.530 -0.991 1.00 0.00 N ATOM 547 CA PRO A 37 7.707 -2.225 0.147 1.00 0.00 C ATOM 548 C PRO A 37 7.130 -2.819 1.429 1.00 0.00 C ATOM 549 O PRO A 37 7.678 -3.773 1.982 1.00 0.00 O ATOM 550 CB PRO A 37 7.724 -0.694 0.205 1.00 0.00 C ATOM 551 CG PRO A 37 6.526 -0.248 -0.564 1.00 0.00 C ATOM 552 CD PRO A 37 6.225 -1.330 -1.563 1.00 0.00 C ATOM 0 HA PRO A 37 8.708 -2.646 0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.682 -0.341 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.640 -0.296 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.677 -0.088 0.101 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.720 0.700 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.151 -1.467 -1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.635 -1.092 -2.544 1.00 0.00 H new ATOM 560 N THR A 38 6.043 -2.227 1.911 1.00 0.00 N ATOM 561 CA THR A 38 5.410 -2.675 3.147 1.00 0.00 C ATOM 562 C THR A 38 4.257 -3.644 2.875 1.00 0.00 C ATOM 563 O THR A 38 4.278 -4.787 3.332 1.00 0.00 O ATOM 564 CB THR A 38 4.911 -1.470 3.962 1.00 0.00 C ATOM 565 OG1 THR A 38 3.566 -1.162 3.636 1.00 0.00 O ATOM 566 CG2 THR A 38 5.727 -0.204 3.761 1.00 0.00 C ATOM 0 H THR A 38 5.581 -1.435 1.464 1.00 0.00 H new ATOM 0 HA THR A 38 6.163 -3.210 3.726 1.00 0.00 H new ATOM 0 HB THR A 38 5.013 -1.781 5.002 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.268 -0.394 4.167 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.310 0.598 4.370 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.760 -0.386 4.058 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.697 0.085 2.711 1.00 0.00 H new ATOM 574 N LEU A 39 3.248 -3.180 2.143 1.00 0.00 N ATOM 575 CA LEU A 39 2.087 -4.009 1.830 1.00 0.00 C ATOM 576 C LEU A 39 1.188 -3.330 0.791 1.00 0.00 C ATOM 577 O LEU A 39 0.495 -2.366 1.105 1.00 0.00 O ATOM 578 CB LEU A 39 1.286 -4.284 3.110 1.00 0.00 C ATOM 579 CG LEU A 39 1.180 -5.760 3.510 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.738 -5.983 4.911 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.265 -6.229 3.429 1.00 0.00 C ATOM 0 H LEU A 39 3.210 -2.237 1.756 1.00 0.00 H new ATOM 0 HA LEU A 39 2.442 -4.950 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.745 -3.734 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.279 -3.886 2.982 1.00 0.00 H new ATOM 0 HG LEU A 39 1.775 -6.348 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.652 -7.037 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.787 -5.687 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.175 -5.384 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.323 -7.279 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.879 -5.633 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.629 -6.111 2.408 1.00 0.00 H new ATOM 593 N ALA A 40 1.190 -3.846 -0.440 1.00 0.00 N ATOM 594 CA ALA A 40 0.364 -3.293 -1.520 1.00 0.00 C ATOM 595 C ALA A 40 -1.098 -3.107 -1.099 1.00 0.00 C ATOM 596 O ALA A 40 -1.681 -2.043 -1.314 1.00 0.00 O ATOM 597 CB ALA A 40 0.485 -4.170 -2.762 1.00 0.00 C ATOM 0 H ALA A 40 1.756 -4.649 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 40 0.738 -2.297 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.130 -3.756 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.526 -4.203 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.146 -5.179 -2.529 1.00 0.00 H new ATOM 603 N GLY A 41 -1.697 -4.131 -0.512 1.00 0.00 N ATOM 604 CA GLY A 41 -3.084 -4.026 -0.089 1.00 0.00 C ATOM 605 C GLY A 41 -3.338 -2.840 0.835 1.00 0.00 C ATOM 606 O GLY A 41 -4.055 -1.905 0.477 1.00 0.00 O ATOM 0 H GLY A 41 -1.254 -5.029 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.721 -3.936 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.373 -4.945 0.421 1.00 0.00 H new ATOM 610 N LYS A 42 -2.768 -2.904 2.034 1.00 0.00 N ATOM 611 CA LYS A 42 -2.940 -1.856 3.046 1.00 0.00 C ATOM 612 C LYS A 42 -2.319 -0.519 2.626 1.00 0.00 C ATOM 613 O LYS A 42 -2.888 0.549 2.878 1.00 0.00 O ATOM 614 CB LYS A 42 -2.332 -2.313 4.375 1.00 0.00 C ATOM 615 CG LYS A 42 -3.364 -2.576 5.459 1.00 0.00 C ATOM 616 CD LYS A 42 -3.386 -1.458 6.489 1.00 0.00 C ATOM 617 CE LYS A 42 -4.489 -0.453 6.201 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.498 0.656 7.196 1.00 0.00 N ATOM 0 H LYS A 42 -2.176 -3.678 2.335 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.012 -1.692 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.754 -3.222 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.635 -1.553 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.351 -2.675 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.142 -3.522 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.529 -1.881 7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.422 -0.949 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.355 -0.043 5.200 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.454 -0.959 6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.471 0.817 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.894 0.402 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.135 1.524 6.752 1.00 0.00 H new ATOM 632 N ILE A 43 -1.158 -0.573 1.988 1.00 0.00 N ATOM 633 CA ILE A 43 -0.480 0.642 1.547 1.00 0.00 C ATOM 634 C ILE A 43 -1.415 1.517 0.721 1.00 0.00 C ATOM 635 O ILE A 43 -1.443 2.740 0.870 1.00 0.00 O ATOM 636 CB ILE A 43 0.767 0.309 0.711 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.669 1.528 0.553 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.353 -0.224 -0.648 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.137 1.172 0.598 1.00 0.00 C ATOM 0 H ILE A 43 -0.667 -1.439 1.764 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.175 1.184 2.442 1.00 0.00 H new ATOM 0 HB ILE A 43 1.335 -0.458 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.447 2.020 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.448 2.244 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.242 -0.457 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.243 -1.127 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.238 0.529 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.734 2.076 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.369 0.705 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.368 0.477 -0.210 1.00 0.00 H new ATOM 651 N THR A 44 -2.180 0.872 -0.154 1.00 0.00 N ATOM 652 CA THR A 44 -3.124 1.563 -1.017 1.00 0.00 C ATOM 653 C THR A 44 -4.055 2.462 -0.206 1.00 0.00 C ATOM 654 O THR A 44 -4.325 3.595 -0.589 1.00 0.00 O ATOM 655 CB THR A 44 -3.939 0.540 -1.814 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.083 -0.376 -2.471 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.830 1.162 -2.865 1.00 0.00 C ATOM 0 H THR A 44 -2.161 -0.140 -0.282 1.00 0.00 H new ATOM 0 HA THR A 44 -2.563 2.195 -1.706 1.00 0.00 H new ATOM 0 HB THR A 44 -4.570 0.042 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.906 -1.139 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.376 0.378 -3.389 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.537 1.840 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.220 1.717 -3.577 1.00 0.00 H new ATOM 665 N GLY A 45 -4.545 1.947 0.915 1.00 0.00 N ATOM 666 CA GLY A 45 -5.448 2.720 1.755 1.00 0.00 C ATOM 667 C GLY A 45 -4.849 4.027 2.216 1.00 0.00 C ATOM 668 O GLY A 45 -5.546 5.036 2.319 1.00 0.00 O ATOM 0 H GLY A 45 -4.335 1.010 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.366 2.922 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.724 2.126 2.626 1.00 0.00 H new ATOM 672 N MET A 46 -3.555 4.007 2.497 1.00 0.00 N ATOM 673 CA MET A 46 -2.867 5.200 2.956 1.00 0.00 C ATOM 674 C MET A 46 -2.621 6.164 1.805 1.00 0.00 C ATOM 675 O MET A 46 -3.027 7.322 1.875 1.00 0.00 O ATOM 676 CB MET A 46 -1.557 4.831 3.646 1.00 0.00 C ATOM 677 CG MET A 46 -1.767 4.203 5.014 1.00 0.00 C ATOM 678 SD MET A 46 -2.525 2.573 4.921 1.00 0.00 S ATOM 679 CE MET A 46 -1.455 1.643 6.012 1.00 0.00 C ATOM 0 H MET A 46 -2.963 3.180 2.415 1.00 0.00 H new ATOM 0 HA MET A 46 -3.506 5.703 3.682 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.002 4.137 3.014 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.943 5.726 3.753 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.807 4.124 5.524 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.396 4.858 5.617 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.784 1.020 5.420 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.868 2.332 6.620 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.059 1.010 6.662 1.00 0.00 H new ATOM 689 N LEU A 47 -1.952 5.706 0.748 1.00 0.00 N ATOM 690 CA LEU A 47 -1.677 6.581 -0.376 1.00 0.00 C ATOM 691 C LEU A 47 -2.978 7.125 -0.951 1.00 0.00 C ATOM 692 O LEU A 47 -2.969 8.139 -1.650 1.00 0.00 O ATOM 693 CB LEU A 47 -0.903 5.846 -1.467 1.00 0.00 C ATOM 694 CG LEU A 47 0.536 5.456 -1.153 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.503 6.499 -1.725 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.752 5.241 0.338 1.00 0.00 C ATOM 0 H LEU A 47 -1.599 4.754 0.652 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.066 7.409 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.452 4.939 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.897 6.473 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 47 0.742 4.500 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.528 6.210 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.377 6.558 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.292 7.472 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.791 4.964 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.523 6.161 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.098 4.443 0.689 1.00 0.00 H new ATOM 708 N LEU A 48 -4.095 6.433 -0.686 1.00 0.00 N ATOM 709 CA LEU A 48 -5.410 6.841 -1.202 1.00 0.00 C ATOM 710 C LEU A 48 -5.833 8.229 -0.711 1.00 0.00 C ATOM 711 O LEU A 48 -7.025 8.538 -0.663 1.00 0.00 O ATOM 712 CB LEU A 48 -6.476 5.805 -0.807 1.00 0.00 C ATOM 713 CG LEU A 48 -7.186 5.111 -1.978 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.234 4.170 -2.692 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.412 4.345 -1.494 1.00 0.00 C ATOM 0 H LEU A 48 -4.114 5.587 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.322 6.894 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.005 5.043 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.227 6.299 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.514 5.880 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.753 3.686 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.385 4.735 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.879 3.412 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.898 3.862 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.106 3.588 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.110 5.036 -1.022 1.00 0.00 H new ATOM 727 N GLU A 49 -4.865 9.063 -0.352 1.00 0.00 N ATOM 728 CA GLU A 49 -5.140 10.410 0.116 1.00 0.00 C ATOM 729 C GLU A 49 -5.554 11.307 -1.053 1.00 0.00 C ATOM 730 O GLU A 49 -6.025 12.429 -0.856 1.00 0.00 O ATOM 731 CB GLU A 49 -3.885 10.973 0.795 1.00 0.00 C ATOM 732 CG GLU A 49 -4.161 11.768 2.061 1.00 0.00 C ATOM 733 CD GLU A 49 -3.605 13.177 1.991 1.00 0.00 C ATOM 734 OE1 GLU A 49 -2.379 13.323 1.794 1.00 0.00 O ATOM 735 OE2 GLU A 49 -4.394 14.135 2.132 1.00 0.00 O ATOM 0 H GLU A 49 -3.874 8.824 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.961 10.382 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.216 10.147 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.359 11.612 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.237 11.813 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.724 11.250 2.915 1.00 0.00 H new ATOM 742 N ILE A 50 -5.363 10.807 -2.276 1.00 0.00 N ATOM 743 CA ILE A 50 -5.699 11.559 -3.482 1.00 0.00 C ATOM 744 C ILE A 50 -6.928 10.974 -4.206 1.00 0.00 C ATOM 745 O ILE A 50 -7.382 9.876 -3.886 1.00 0.00 O ATOM 746 CB ILE A 50 -4.477 11.604 -4.423 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.560 12.786 -5.404 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.330 10.281 -5.159 1.00 0.00 C ATOM 749 CD1 ILE A 50 -5.022 14.087 -4.770 1.00 0.00 C ATOM 0 H ILE A 50 -4.976 9.881 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.963 12.574 -3.184 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.586 11.759 -3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.579 12.941 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.243 12.526 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.464 10.326 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.194 9.476 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.227 10.091 -5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.054 14.870 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.017 13.952 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.327 14.374 -3.981 1.00 0.00 H new ATOM 761 N ASP A 51 -7.432 11.700 -5.211 1.00 0.00 N ATOM 762 CA ASP A 51 -8.574 11.253 -6.013 1.00 0.00 C ATOM 763 C ASP A 51 -8.185 10.135 -6.985 1.00 0.00 C ATOM 764 O ASP A 51 -7.044 10.074 -7.436 1.00 0.00 O ATOM 765 CB ASP A 51 -9.155 12.429 -6.795 1.00 0.00 C ATOM 766 CG ASP A 51 -10.641 12.275 -7.052 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.004 11.639 -8.064 1.00 0.00 O ATOM 768 OD2 ASP A 51 -11.440 12.787 -6.242 1.00 0.00 O ATOM 0 H ASP A 51 -7.061 12.609 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.322 10.857 -5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.978 13.352 -6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.632 12.522 -7.747 1.00 0.00 H new ATOM 773 N ASN A 52 -9.147 9.270 -7.325 1.00 0.00 N ATOM 774 CA ASN A 52 -8.894 8.174 -8.269 1.00 0.00 C ATOM 775 C ASN A 52 -8.187 8.672 -9.531 1.00 0.00 C ATOM 776 O ASN A 52 -7.487 7.914 -10.206 1.00 0.00 O ATOM 777 CB ASN A 52 -10.203 7.486 -8.689 1.00 0.00 C ATOM 778 CG ASN A 52 -9.961 6.093 -9.262 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.816 5.705 -9.497 1.00 0.00 O ATOM 780 ND2 ASN A 52 -11.034 5.333 -9.493 1.00 0.00 N ATOM 0 H ASN A 52 -10.100 9.306 -6.965 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.253 7.462 -7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.866 7.413 -7.827 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.712 8.100 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.921 4.395 -9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.966 5.690 -9.285 1.00 0.00 H new ATOM 787 N SER A 53 -8.411 9.940 -9.860 1.00 0.00 N ATOM 788 CA SER A 53 -7.843 10.542 -11.068 1.00 0.00 C ATOM 789 C SER A 53 -6.330 10.734 -10.989 1.00 0.00 C ATOM 790 O SER A 53 -5.650 10.756 -12.017 1.00 0.00 O ATOM 791 CB SER A 53 -8.522 11.883 -11.341 1.00 0.00 C ATOM 792 OG SER A 53 -8.060 12.455 -12.553 1.00 0.00 O ATOM 0 H SER A 53 -8.984 10.576 -9.306 1.00 0.00 H new ATOM 0 HA SER A 53 -8.029 9.847 -11.887 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.602 11.743 -11.390 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.327 12.567 -10.515 1.00 0.00 H new ATOM 0 HG SER A 53 -8.512 13.311 -12.704 1.00 0.00 H new ATOM 798 N GLU A 54 -5.801 10.884 -9.784 1.00 0.00 N ATOM 799 CA GLU A 54 -4.368 11.084 -9.617 1.00 0.00 C ATOM 800 C GLU A 54 -3.617 9.777 -9.818 1.00 0.00 C ATOM 801 O GLU A 54 -2.543 9.752 -10.417 1.00 0.00 O ATOM 802 CB GLU A 54 -4.063 11.655 -8.231 1.00 0.00 C ATOM 803 CG GLU A 54 -2.576 11.741 -7.914 1.00 0.00 C ATOM 804 CD GLU A 54 -2.089 13.170 -7.766 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.295 13.968 -8.704 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.505 13.491 -6.709 1.00 0.00 O ATOM 0 H GLU A 54 -6.335 10.871 -8.915 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.035 11.797 -10.371 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.499 12.651 -8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.550 11.035 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.373 11.195 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.011 11.249 -8.706 1.00 0.00 H new ATOM 813 N LEU A 55 -4.184 8.692 -9.314 1.00 0.00 N ATOM 814 CA LEU A 55 -3.553 7.389 -9.436 1.00 0.00 C ATOM 815 C LEU A 55 -3.395 6.993 -10.900 1.00 0.00 C ATOM 816 O LEU A 55 -2.413 6.351 -11.274 1.00 0.00 O ATOM 817 CB LEU A 55 -4.353 6.335 -8.679 1.00 0.00 C ATOM 818 CG LEU A 55 -4.659 6.693 -7.227 1.00 0.00 C ATOM 819 CD1 LEU A 55 -6.054 7.271 -7.104 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.515 5.473 -6.341 1.00 0.00 C ATOM 0 H LEU A 55 -5.076 8.688 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.558 7.452 -8.995 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.293 6.165 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.802 5.395 -8.700 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.943 7.447 -6.901 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.254 7.520 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.130 8.172 -7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.783 6.538 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.736 5.745 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.210 4.700 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.495 5.095 -6.406 1.00 0.00 H new ATOM 832 N LEU A 56 -4.354 7.393 -11.729 1.00 0.00 N ATOM 833 CA LEU A 56 -4.301 7.092 -13.152 1.00 0.00 C ATOM 834 C LEU A 56 -3.147 7.844 -13.806 1.00 0.00 C ATOM 835 O LEU A 56 -2.492 7.334 -14.715 1.00 0.00 O ATOM 836 CB LEU A 56 -5.618 7.482 -13.817 1.00 0.00 C ATOM 837 CG LEU A 56 -6.869 6.945 -13.124 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.119 7.602 -13.691 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.947 5.432 -13.262 1.00 0.00 C ATOM 0 H LEU A 56 -5.175 7.925 -11.439 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.141 6.021 -13.279 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.680 8.569 -13.857 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.609 7.125 -14.847 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.807 7.189 -12.064 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.000 7.206 -13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.065 8.680 -13.537 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.189 7.391 -14.758 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.844 5.067 -12.762 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.985 5.164 -14.318 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.067 4.979 -12.805 1.00 0.00 H new ATOM 851 N HIS A 57 -2.910 9.064 -13.329 1.00 0.00 N ATOM 852 CA HIS A 57 -1.840 9.906 -13.853 1.00 0.00 C ATOM 853 C HIS A 57 -0.474 9.296 -13.563 1.00 0.00 C ATOM 854 O HIS A 57 0.426 9.326 -14.403 1.00 0.00 O ATOM 855 CB HIS A 57 -1.926 11.301 -13.231 1.00 0.00 C ATOM 856 CG HIS A 57 -1.642 12.412 -14.194 1.00 0.00 C ATOM 857 ND1 HIS A 57 -0.660 12.345 -15.158 1.00 0.00 N ATOM 858 CD2 HIS A 57 -2.216 13.631 -14.332 1.00 0.00 C ATOM 859 CE1 HIS A 57 -0.639 13.471 -15.848 1.00 0.00 C ATOM 860 NE2 HIS A 57 -1.576 14.267 -15.367 1.00 0.00 N ATOM 0 H HIS A 57 -3.449 9.492 -12.576 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.961 9.980 -14.934 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.923 11.441 -12.813 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.221 11.363 -12.402 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.026 14.029 -13.739 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.029 13.701 -16.665 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.790 15.204 -15.709 1.00 0.00 H new ATOM 868 N MET A 58 -0.326 8.748 -12.366 1.00 0.00 N ATOM 869 CA MET A 58 0.928 8.134 -11.950 1.00 0.00 C ATOM 870 C MET A 58 1.132 6.797 -12.649 1.00 0.00 C ATOM 871 O MET A 58 2.254 6.424 -12.993 1.00 0.00 O ATOM 872 CB MET A 58 0.922 7.921 -10.440 1.00 0.00 C ATOM 873 CG MET A 58 0.460 9.141 -9.652 1.00 0.00 C ATOM 874 SD MET A 58 0.005 8.779 -7.936 1.00 0.00 S ATOM 875 CE MET A 58 -0.503 7.061 -8.016 1.00 0.00 C ATOM 0 H MET A 58 -1.063 8.716 -11.661 1.00 0.00 H new ATOM 0 HA MET A 58 1.745 8.801 -12.225 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.272 7.079 -10.203 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.927 7.649 -10.116 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.255 9.887 -9.657 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.397 9.585 -10.159 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.323 6.891 -7.318 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.834 6.826 -9.028 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.338 6.420 -7.751 1.00 0.00 H new ATOM 885 N LEU A 59 0.038 6.074 -12.836 1.00 0.00 N ATOM 886 CA LEU A 59 0.087 4.765 -13.472 1.00 0.00 C ATOM 887 C LEU A 59 0.645 4.876 -14.886 1.00 0.00 C ATOM 888 O LEU A 59 1.296 3.954 -15.378 1.00 0.00 O ATOM 889 CB LEU A 59 -1.311 4.132 -13.479 1.00 0.00 C ATOM 890 CG LEU A 59 -1.559 3.059 -14.548 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.024 1.762 -13.903 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.581 3.550 -15.565 1.00 0.00 C ATOM 0 H LEU A 59 -0.896 6.372 -12.556 1.00 0.00 H new ATOM 0 HA LEU A 59 0.754 4.120 -12.900 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.493 3.689 -12.500 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.047 4.925 -13.612 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.621 2.865 -15.069 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.195 1.012 -14.676 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.260 1.404 -13.213 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.951 1.939 -13.357 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.746 2.778 -16.317 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.521 3.771 -15.059 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.208 4.453 -16.048 1.00 0.00 H new ATOM 904 N GLU A 60 0.409 6.009 -15.528 1.00 0.00 N ATOM 905 CA GLU A 60 0.915 6.228 -16.875 1.00 0.00 C ATOM 906 C GLU A 60 2.212 7.041 -16.843 1.00 0.00 C ATOM 907 O GLU A 60 2.812 7.307 -17.883 1.00 0.00 O ATOM 908 CB GLU A 60 -0.137 6.937 -17.727 1.00 0.00 C ATOM 909 CG GLU A 60 -0.614 8.250 -17.136 1.00 0.00 C ATOM 910 CD GLU A 60 -0.858 9.307 -18.194 1.00 0.00 C ATOM 911 OE1 GLU A 60 -1.948 9.295 -18.804 1.00 0.00 O ATOM 912 OE2 GLU A 60 0.042 10.143 -18.414 1.00 0.00 O ATOM 0 H GLU A 60 -0.126 6.787 -15.142 1.00 0.00 H new ATOM 0 HA GLU A 60 1.132 5.258 -17.322 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.276 7.123 -18.718 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.993 6.275 -17.858 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.534 8.080 -16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.127 8.616 -16.426 1.00 0.00 H new ATOM 919 N SER A 61 2.640 7.429 -15.640 1.00 0.00 N ATOM 920 CA SER A 61 3.861 8.209 -15.471 1.00 0.00 C ATOM 921 C SER A 61 4.612 7.792 -14.203 1.00 0.00 C ATOM 922 O SER A 61 4.368 8.332 -13.123 1.00 0.00 O ATOM 923 CB SER A 61 3.525 9.700 -15.413 1.00 0.00 C ATOM 924 OG SER A 61 2.686 10.076 -16.491 1.00 0.00 O ATOM 0 H SER A 61 2.156 7.214 -14.769 1.00 0.00 H new ATOM 0 HA SER A 61 4.508 8.017 -16.327 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.032 9.928 -14.468 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.444 10.285 -15.443 1.00 0.00 H new ATOM 0 HG SER A 61 2.485 11.033 -16.430 1.00 0.00 H new ATOM 930 N PRO A 62 5.538 6.821 -14.315 1.00 0.00 N ATOM 931 CA PRO A 62 6.322 6.335 -13.171 1.00 0.00 C ATOM 932 C PRO A 62 6.974 7.473 -12.384 1.00 0.00 C ATOM 933 O PRO A 62 7.208 7.359 -11.181 1.00 0.00 O ATOM 934 CB PRO A 62 7.397 5.462 -13.825 1.00 0.00 C ATOM 935 CG PRO A 62 6.782 4.997 -15.099 1.00 0.00 C ATOM 936 CD PRO A 62 5.895 6.120 -15.566 1.00 0.00 C ATOM 0 HA PRO A 62 5.700 5.807 -12.448 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.309 6.029 -14.009 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.668 4.622 -13.186 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.547 4.770 -15.841 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.207 4.084 -14.944 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.415 6.779 -16.261 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.011 5.745 -16.082 1.00 0.00 H new ATOM 944 N GLU A 63 7.269 8.563 -13.082 1.00 0.00 N ATOM 945 CA GLU A 63 7.904 9.733 -12.478 1.00 0.00 C ATOM 946 C GLU A 63 7.140 10.230 -11.251 1.00 0.00 C ATOM 947 O GLU A 63 7.688 10.299 -10.148 1.00 0.00 O ATOM 948 CB GLU A 63 8.022 10.863 -13.507 1.00 0.00 C ATOM 949 CG GLU A 63 6.816 10.989 -14.433 1.00 0.00 C ATOM 950 CD GLU A 63 6.129 12.341 -14.336 1.00 0.00 C ATOM 951 OE1 GLU A 63 6.616 13.205 -13.577 1.00 0.00 O ATOM 952 OE2 GLU A 63 5.104 12.536 -15.025 1.00 0.00 O ATOM 0 H GLU A 63 7.077 8.663 -14.079 1.00 0.00 H new ATOM 0 HA GLU A 63 8.898 9.429 -12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.162 11.807 -12.980 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.915 10.699 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.136 10.824 -15.462 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.098 10.205 -14.193 1.00 0.00 H new ATOM 959 N SER A 64 5.876 10.569 -11.451 1.00 0.00 N ATOM 960 CA SER A 64 5.035 11.060 -10.370 1.00 0.00 C ATOM 961 C SER A 64 4.620 9.909 -9.472 1.00 0.00 C ATOM 962 O SER A 64 4.410 10.079 -8.270 1.00 0.00 O ATOM 963 CB SER A 64 3.797 11.757 -10.938 1.00 0.00 C ATOM 964 OG SER A 64 3.212 12.621 -9.979 1.00 0.00 O ATOM 0 H SER A 64 5.408 10.513 -12.356 1.00 0.00 H new ATOM 0 HA SER A 64 5.603 11.781 -9.782 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.072 12.327 -11.825 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.068 11.010 -11.252 1.00 0.00 H new ATOM 0 HG SER A 64 2.424 13.055 -10.367 1.00 0.00 H new ATOM 970 N LEU A 65 4.486 8.739 -10.078 1.00 0.00 N ATOM 971 CA LEU A 65 4.077 7.550 -9.360 1.00 0.00 C ATOM 972 C LEU A 65 5.017 7.262 -8.205 1.00 0.00 C ATOM 973 O LEU A 65 4.607 7.276 -7.044 1.00 0.00 O ATOM 974 CB LEU A 65 4.033 6.348 -10.311 1.00 0.00 C ATOM 975 CG LEU A 65 3.844 4.988 -9.636 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.193 4.394 -9.245 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.945 5.134 -8.421 1.00 0.00 C ATOM 0 H LEU A 65 4.657 8.591 -11.073 1.00 0.00 H new ATOM 0 HA LEU A 65 3.080 7.724 -8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.221 6.498 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.960 6.325 -10.885 1.00 0.00 H new ATOM 0 HG LEU A 65 3.368 4.306 -10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.040 3.427 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.806 4.264 -10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.699 5.066 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.815 4.162 -7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.400 5.826 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.974 5.519 -8.731 1.00 0.00 H new ATOM 989 N ARG A 66 6.274 7.001 -8.518 1.00 0.00 N ATOM 990 CA ARG A 66 7.249 6.708 -7.479 1.00 0.00 C ATOM 991 C ARG A 66 7.310 7.848 -6.474 1.00 0.00 C ATOM 992 O ARG A 66 7.569 7.635 -5.293 1.00 0.00 O ATOM 993 CB ARG A 66 8.630 6.460 -8.090 1.00 0.00 C ATOM 994 CG ARG A 66 9.032 4.993 -8.105 1.00 0.00 C ATOM 995 CD ARG A 66 9.662 4.567 -6.786 1.00 0.00 C ATOM 996 NE ARG A 66 10.857 3.748 -6.990 1.00 0.00 N ATOM 997 CZ ARG A 66 12.083 4.088 -6.584 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.293 5.228 -5.936 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.104 3.279 -6.825 1.00 0.00 N ATOM 0 H ARG A 66 6.642 6.985 -9.469 1.00 0.00 H new ATOM 0 HA ARG A 66 6.936 5.802 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.641 6.842 -9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.374 7.027 -7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.155 4.378 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.736 4.817 -8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.924 5.452 -6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.934 4.006 -6.200 1.00 0.00 H new ATOM 0 HE ARG A 66 10.746 2.857 -7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.513 5.856 -5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.234 5.476 -5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.952 2.400 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.042 3.535 -6.516 1.00 0.00 H new ATOM 1013 N SER A 67 7.063 9.056 -6.956 1.00 0.00 N ATOM 1014 CA SER A 67 7.083 10.240 -6.109 1.00 0.00 C ATOM 1015 C SER A 67 6.162 10.088 -4.896 1.00 0.00 C ATOM 1016 O SER A 67 6.539 10.426 -3.776 1.00 0.00 O ATOM 1017 CB SER A 67 6.662 11.464 -6.924 1.00 0.00 C ATOM 1018 OG SER A 67 7.579 12.535 -6.761 1.00 0.00 O ATOM 0 H SER A 67 6.845 9.243 -7.935 1.00 0.00 H new ATOM 0 HA SER A 67 8.101 10.368 -5.741 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.597 11.196 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.667 11.784 -6.615 1.00 0.00 H new ATOM 0 HG SER A 67 7.284 13.302 -7.295 1.00 0.00 H new ATOM 1024 N LYS A 68 4.948 9.600 -5.134 1.00 0.00 N ATOM 1025 CA LYS A 68 3.961 9.431 -4.067 1.00 0.00 C ATOM 1026 C LYS A 68 4.230 8.178 -3.232 1.00 0.00 C ATOM 1027 O LYS A 68 4.252 8.238 -2.003 1.00 0.00 O ATOM 1028 CB LYS A 68 2.550 9.383 -4.661 1.00 0.00 C ATOM 1029 CG LYS A 68 2.369 10.287 -5.876 1.00 0.00 C ATOM 1030 CD LYS A 68 1.281 11.328 -5.649 1.00 0.00 C ATOM 1031 CE LYS A 68 1.057 12.184 -6.887 1.00 0.00 C ATOM 1032 NZ LYS A 68 1.073 13.640 -6.569 1.00 0.00 N ATOM 0 H LYS A 68 4.622 9.314 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 68 4.044 10.289 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.319 8.356 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.832 9.671 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.311 10.788 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.116 9.681 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.351 10.829 -5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.557 11.966 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.830 11.965 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.101 11.922 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.591 14.152 -7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.097 13.995 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.543 13.790 -5.653 1.00 0.00 H new ATOM 1046 N VAL A 69 4.434 7.047 -3.900 1.00 0.00 N ATOM 1047 CA VAL A 69 4.702 5.787 -3.207 1.00 0.00 C ATOM 1048 C VAL A 69 5.905 5.920 -2.287 1.00 0.00 C ATOM 1049 O VAL A 69 5.827 5.625 -1.095 1.00 0.00 O ATOM 1050 CB VAL A 69 4.985 4.650 -4.205 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.041 3.306 -3.492 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.943 4.648 -5.308 1.00 0.00 C ATOM 0 H VAL A 69 4.419 6.975 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 69 3.811 5.551 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 69 5.960 4.820 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.242 2.518 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.835 3.323 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.086 3.114 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.155 3.839 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.954 4.503 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.971 5.601 -5.837 1.00 0.00 H new ATOM 1062 N ASP A 70 7.015 6.379 -2.853 1.00 0.00 N ATOM 1063 CA ASP A 70 8.255 6.570 -2.099 1.00 0.00 C ATOM 1064 C ASP A 70 7.975 7.310 -0.797 1.00 0.00 C ATOM 1065 O ASP A 70 8.284 6.826 0.293 1.00 0.00 O ATOM 1066 CB ASP A 70 9.267 7.366 -2.932 1.00 0.00 C ATOM 1067 CG ASP A 70 10.685 6.853 -2.783 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.942 5.696 -3.179 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.541 7.611 -2.279 1.00 0.00 O ATOM 0 H ASP A 70 7.085 6.629 -3.840 1.00 0.00 H new ATOM 0 HA ASP A 70 8.671 5.589 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.979 7.324 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.232 8.414 -2.634 1.00 0.00 H new ATOM 1074 N GLU A 71 7.389 8.490 -0.935 1.00 0.00 N ATOM 1075 CA GLU A 71 7.047 9.335 0.204 1.00 0.00 C ATOM 1076 C GLU A 71 6.280 8.554 1.263 1.00 0.00 C ATOM 1077 O GLU A 71 6.690 8.492 2.422 1.00 0.00 O ATOM 1078 CB GLU A 71 6.221 10.526 -0.287 1.00 0.00 C ATOM 1079 CG GLU A 71 7.055 11.626 -0.935 1.00 0.00 C ATOM 1080 CD GLU A 71 8.305 11.969 -0.149 1.00 0.00 C ATOM 1081 OE1 GLU A 71 9.344 11.313 -0.369 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.243 12.895 0.687 1.00 0.00 O ATOM 0 H GLU A 71 7.136 8.890 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 71 7.967 9.692 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.482 10.172 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.672 10.947 0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.340 11.313 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.443 12.522 -1.041 1.00 0.00 H new ATOM 1089 N ALA A 72 5.173 7.957 0.863 1.00 0.00 N ATOM 1090 CA ALA A 72 4.361 7.181 1.786 1.00 0.00 C ATOM 1091 C ALA A 72 5.197 6.127 2.493 1.00 0.00 C ATOM 1092 O ALA A 72 5.032 5.895 3.689 1.00 0.00 O ATOM 1093 CB ALA A 72 3.220 6.539 1.050 1.00 0.00 C ATOM 0 H ALA A 72 4.815 7.993 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 72 3.960 7.855 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.617 5.959 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.603 7.311 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.612 5.880 0.275 1.00 0.00 H new ATOM 1099 N VAL A 73 6.104 5.492 1.757 1.00 0.00 N ATOM 1100 CA VAL A 73 6.957 4.478 2.355 1.00 0.00 C ATOM 1101 C VAL A 73 7.615 5.049 3.602 1.00 0.00 C ATOM 1102 O VAL A 73 7.797 4.356 4.593 1.00 0.00 O ATOM 1103 CB VAL A 73 8.053 3.983 1.391 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.788 2.792 1.991 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.466 3.617 0.036 1.00 0.00 C ATOM 0 H VAL A 73 6.264 5.659 0.764 1.00 0.00 H new ATOM 0 HA VAL A 73 6.325 3.625 2.601 1.00 0.00 H new ATOM 0 HB VAL A 73 8.764 4.795 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.559 2.454 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.250 3.087 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.082 1.982 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.262 3.271 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.728 2.824 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.987 4.493 -0.402 1.00 0.00 H new ATOM 1115 N ALA A 74 7.943 6.335 3.541 1.00 0.00 N ATOM 1116 CA ALA A 74 8.554 7.024 4.664 1.00 0.00 C ATOM 1117 C ALA A 74 7.525 7.286 5.772 1.00 0.00 C ATOM 1118 O ALA A 74 7.695 6.826 6.901 1.00 0.00 O ATOM 1119 CB ALA A 74 9.195 8.317 4.190 1.00 0.00 C ATOM 0 H ALA A 74 7.794 6.921 2.720 1.00 0.00 H new ATOM 0 HA ALA A 74 9.332 6.388 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.651 8.829 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.960 8.093 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.434 8.959 3.745 1.00 0.00 H new ATOM 1125 N VAL A 75 6.457 8.027 5.447 1.00 0.00 N ATOM 1126 CA VAL A 75 5.408 8.334 6.429 1.00 0.00 C ATOM 1127 C VAL A 75 4.680 7.068 6.884 1.00 0.00 C ATOM 1128 O VAL A 75 4.666 6.737 8.066 1.00 0.00 O ATOM 1129 CB VAL A 75 4.343 9.313 5.881 1.00 0.00 C ATOM 1130 CG1 VAL A 75 4.059 10.421 6.885 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.754 9.900 4.549 1.00 0.00 C ATOM 0 H VAL A 75 6.297 8.422 4.520 1.00 0.00 H new ATOM 0 HA VAL A 75 5.928 8.800 7.266 1.00 0.00 H new ATOM 0 HB VAL A 75 3.428 8.742 5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.307 11.097 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.690 9.985 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.976 10.976 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.980 10.582 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.692 10.444 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.887 9.098 3.823 1.00 0.00 H new ATOM 1141 N LEU A 76 4.046 6.389 5.930 1.00 0.00 N ATOM 1142 CA LEU A 76 3.277 5.178 6.202 1.00 0.00 C ATOM 1143 C LEU A 76 4.072 4.165 7.019 1.00 0.00 C ATOM 1144 O LEU A 76 3.699 3.832 8.145 1.00 0.00 O ATOM 1145 CB LEU A 76 2.842 4.551 4.881 1.00 0.00 C ATOM 1146 CG LEU A 76 1.584 3.697 4.958 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.276 3.077 3.608 1.00 0.00 C ATOM 1148 CD2 LEU A 76 1.736 2.621 6.021 1.00 0.00 C ATOM 0 H LEU A 76 4.051 6.663 4.948 1.00 0.00 H new ATOM 0 HA LEU A 76 2.405 5.459 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.679 5.347 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.658 3.936 4.502 1.00 0.00 H new ATOM 0 HG LEU A 76 0.748 4.339 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.374 2.470 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.122 3.866 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.111 2.448 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.828 2.020 6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.583 1.982 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.906 3.089 6.991 1.00 0.00 H new ATOM 1160 N GLN A 77 5.161 3.669 6.445 1.00 0.00 N ATOM 1161 CA GLN A 77 5.989 2.687 7.133 1.00 0.00 C ATOM 1162 C GLN A 77 6.332 3.182 8.537 1.00 0.00 C ATOM 1163 O GLN A 77 6.542 2.389 9.454 1.00 0.00 O ATOM 1164 CB GLN A 77 7.276 2.410 6.358 1.00 0.00 C ATOM 1165 CG GLN A 77 8.167 1.363 7.011 1.00 0.00 C ATOM 1166 CD GLN A 77 7.815 -0.054 6.600 1.00 0.00 C ATOM 1167 OE1 GLN A 77 6.693 -0.513 6.809 1.00 0.00 O ATOM 1168 NE2 GLN A 77 8.780 -0.755 6.015 1.00 0.00 N ATOM 0 H GLN A 77 5.489 3.927 5.514 1.00 0.00 H new ATOM 0 HA GLN A 77 5.422 1.759 7.202 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.020 2.080 5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.836 3.339 6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.206 1.564 6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.088 1.451 8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.696 -0.333 5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.605 -1.715 5.719 1.00 0.00 H new ATOM 1177 N ALA A 78 6.372 4.505 8.692 1.00 0.00 N ATOM 1178 CA ALA A 78 6.673 5.122 9.978 1.00 0.00 C ATOM 1179 C ALA A 78 5.433 5.164 10.873 1.00 0.00 C ATOM 1180 O ALA A 78 5.490 4.791 12.045 1.00 0.00 O ATOM 1181 CB ALA A 78 7.228 6.524 9.772 1.00 0.00 C ATOM 0 H ALA A 78 6.199 5.170 7.938 1.00 0.00 H new ATOM 0 HA ALA A 78 7.427 4.514 10.478 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.449 6.974 10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.142 6.470 9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.492 7.133 9.248 1.00 0.00 H new ATOM 1187 N HIS A 79 4.315 5.620 10.309 1.00 0.00 N ATOM 1188 CA HIS A 79 3.056 5.714 11.049 1.00 0.00 C ATOM 1189 C HIS A 79 2.362 4.354 11.148 1.00 0.00 C ATOM 1190 O HIS A 79 1.274 4.246 11.714 1.00 0.00 O ATOM 1191 CB HIS A 79 2.120 6.735 10.386 1.00 0.00 C ATOM 1192 CG HIS A 79 2.100 8.062 11.079 1.00 0.00 C ATOM 1193 ND1 HIS A 79 1.353 8.310 12.211 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.749 9.218 10.800 1.00 0.00 C ATOM 1195 CE1 HIS A 79 1.539 9.557 12.598 1.00 0.00 C ATOM 1196 NE2 HIS A 79 2.382 10.130 11.759 1.00 0.00 N ATOM 0 H HIS A 79 4.255 5.931 9.339 1.00 0.00 H new ATOM 0 HA HIS A 79 3.291 6.048 12.060 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.427 6.879 9.350 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.109 6.329 10.365 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.428 9.390 9.978 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.080 10.029 13.454 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.708 11.095 11.814 1.00 0.00 H new ATOM 1536 N LYS B 5 5.845 13.203 4.500 1.00 0.00 N ATOM 1537 CA LYS B 5 6.050 13.046 3.068 1.00 0.00 C ATOM 1538 C LYS B 5 4.767 13.387 2.306 1.00 0.00 C ATOM 1539 O LYS B 5 3.798 13.866 2.894 1.00 0.00 O ATOM 1540 CB LYS B 5 6.532 11.640 2.702 1.00 0.00 C ATOM 1541 CG LYS B 5 7.830 11.202 3.384 1.00 0.00 C ATOM 1542 CD LYS B 5 7.741 11.206 4.908 1.00 0.00 C ATOM 1543 CE LYS B 5 8.885 11.985 5.542 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.137 13.283 4.854 1.00 0.00 N ATOM 0 HA LYS B 5 6.836 13.742 2.775 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.748 10.926 2.955 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.672 11.590 1.622 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.091 10.199 3.045 1.00 0.00 H new ATOM 0 HG3 LYS B 5 8.638 11.864 3.072 1.00 0.00 H new ATOM 0 HD2 LYS B 5 6.791 11.643 5.215 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.754 10.180 5.275 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.657 12.171 6.591 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.792 11.380 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 9.541 13.962 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.805 13.137 4.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 8.242 13.658 4.481 1.00 0.00 H new ATOM 1558 N LEU B 6 4.772 13.157 0.997 1.00 0.00 N ATOM 1559 CA LEU B 6 3.613 13.464 0.159 1.00 0.00 C ATOM 1560 C LEU B 6 2.418 12.566 0.477 1.00 0.00 C ATOM 1561 O LEU B 6 1.284 13.040 0.531 1.00 0.00 O ATOM 1562 CB LEU B 6 3.968 13.329 -1.325 1.00 0.00 C ATOM 1563 CG LEU B 6 4.613 14.567 -1.958 1.00 0.00 C ATOM 1564 CD1 LEU B 6 6.017 14.250 -2.451 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.753 15.090 -3.101 1.00 0.00 C ATOM 0 H LEU B 6 5.564 12.759 0.492 1.00 0.00 H new ATOM 0 HA LEU B 6 3.331 14.494 0.377 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.647 12.485 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.060 13.089 -1.879 1.00 0.00 H new ATOM 0 HG LEU B 6 4.685 15.342 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.456 15.142 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.632 13.923 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.970 13.457 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.226 15.969 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.650 14.316 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.767 15.359 -2.721 1.00 0.00 H new ATOM 1577 N SER B 7 2.664 11.277 0.697 1.00 0.00 N ATOM 1578 CA SER B 7 1.584 10.354 1.015 1.00 0.00 C ATOM 1579 C SER B 7 1.664 9.890 2.467 1.00 0.00 C ATOM 1580 O SER B 7 2.592 9.188 2.854 1.00 0.00 O ATOM 1581 CB SER B 7 1.628 9.153 0.073 1.00 0.00 C ATOM 1582 OG SER B 7 1.024 9.465 -1.170 1.00 0.00 O ATOM 0 H SER B 7 3.591 10.854 0.661 1.00 0.00 H new ATOM 0 HA SER B 7 0.638 10.879 0.882 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.662 8.848 -0.087 1.00 0.00 H new ATOM 0 HB3 SER B 7 1.114 8.308 0.530 1.00 0.00 H new ATOM 0 HG SER B 7 0.069 9.250 -1.132 1.00 0.00 H new ATOM 1588 N VAL B 8 0.683 10.288 3.269 1.00 0.00 N ATOM 1589 CA VAL B 8 0.650 9.905 4.679 1.00 0.00 C ATOM 1590 C VAL B 8 -0.203 8.661 4.889 1.00 0.00 C ATOM 1591 O VAL B 8 -0.691 8.067 3.929 1.00 0.00 O ATOM 1592 CB VAL B 8 0.117 11.044 5.570 1.00 0.00 C ATOM 1593 CG1 VAL B 8 1.219 12.051 5.840 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.096 11.714 4.936 1.00 0.00 C ATOM 0 H VAL B 8 -0.097 10.873 2.971 1.00 0.00 H new ATOM 0 HA VAL B 8 1.679 9.690 4.969 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.205 10.619 6.521 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.833 12.852 6.470 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.047 11.557 6.348 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.569 12.469 4.896 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.451 12.514 5.586 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.817 12.130 3.968 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -1.888 10.978 4.800 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.378 8.261 6.145 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.174 7.081 6.458 1.00 0.00 C ATOM 1606 C ASN B 9 -2.676 7.363 6.352 1.00 0.00 C ATOM 1607 O ASN B 9 -3.427 7.103 7.291 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.837 6.575 7.863 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.260 7.550 8.947 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -1.228 8.766 8.752 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -1.658 7.018 10.096 1.00 0.00 N ATOM 0 H ASN B 9 0.018 8.734 6.957 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.926 6.314 5.725 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.329 5.616 8.028 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.236 6.399 7.935 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -1.954 7.622 10.863 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -1.668 6.005 10.212 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.105 7.921 5.220 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.512 8.257 5.010 1.00 0.00 C ATOM 1620 C ALA B 10 -5.445 7.101 5.395 1.00 0.00 C ATOM 1621 O ALA B 10 -4.993 6.043 5.821 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.726 8.653 3.557 1.00 0.00 C ATOM 0 H ALA B 10 -2.497 8.150 4.434 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.760 9.096 5.661 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.775 8.904 3.399 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.106 9.518 3.321 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.450 7.821 2.909 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.772 7.302 5.255 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.781 6.283 5.590 1.00 0.00 C ATOM 1630 C PRO B 11 -7.473 4.927 4.962 1.00 0.00 C ATOM 1631 O PRO B 11 -6.350 4.682 4.528 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.074 6.866 5.017 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.860 8.341 5.041 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.397 8.547 4.761 1.00 0.00 C ATOM 0 HA PRO B 11 -7.825 6.088 6.662 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.256 6.508 4.004 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.938 6.580 5.617 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.475 8.838 4.291 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.136 8.761 6.008 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.209 8.696 3.698 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.009 9.424 5.279 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.478 4.061 4.871 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.303 2.753 4.251 1.00 0.00 C ATOM 1644 C GLU B 12 -8.425 2.839 2.728 1.00 0.00 C ATOM 1645 O GLU B 12 -8.653 3.912 2.171 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.334 1.770 4.805 1.00 0.00 C ATOM 1647 CG GLU B 12 -9.207 1.534 6.301 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.817 1.091 6.707 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.507 -0.109 6.555 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -7.033 1.947 7.173 1.00 0.00 O ATOM 0 H GLU B 12 -9.420 4.241 5.218 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.301 2.397 4.489 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -10.334 2.145 4.588 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.231 0.817 4.285 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.461 2.451 6.832 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.929 0.777 6.608 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.292 1.688 2.068 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.418 1.626 0.613 1.00 0.00 C ATOM 1659 C PHE B 13 -9.773 1.038 0.237 1.00 0.00 C ATOM 1660 O PHE B 13 -10.050 -0.133 0.492 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.272 0.831 -0.032 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.356 -0.660 0.122 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.242 -1.256 1.369 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.526 -1.466 -0.988 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.303 -2.631 1.500 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.584 -2.837 -0.862 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.475 -3.419 0.378 1.00 0.00 C ATOM 0 H PHE B 13 -8.098 0.792 2.515 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.351 2.642 0.225 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.241 1.068 -1.095 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.330 1.171 0.398 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.104 -0.641 2.246 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.614 -1.016 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.217 -3.087 2.475 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.715 -3.454 -1.738 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.524 -4.493 0.476 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.603 1.864 -0.396 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.927 1.443 -0.835 1.00 0.00 C ATOM 1679 C TYR B 14 -12.061 1.537 -2.354 1.00 0.00 C ATOM 1680 O TYR B 14 -11.171 2.055 -3.030 1.00 0.00 O ATOM 1681 CB TYR B 14 -13.001 2.277 -0.139 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.638 1.545 1.018 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.845 0.969 2.002 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -15.019 1.417 1.129 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.404 0.289 3.063 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.586 0.734 2.189 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.775 0.173 3.154 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.332 -0.508 4.210 1.00 0.00 O ATOM 0 H TYR B 14 -10.378 2.834 -0.616 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.064 0.398 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.559 3.206 0.221 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.771 2.549 -0.861 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.771 1.055 1.935 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.657 1.857 0.377 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.771 -0.151 3.819 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.659 0.640 2.261 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.308 -0.498 4.127 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.182 1.045 -2.916 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.419 1.096 -4.359 1.00 0.00 C ATOM 1700 C PRO B 15 -13.517 2.523 -4.887 1.00 0.00 C ATOM 1701 O PRO B 15 -14.575 3.150 -4.839 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.754 0.388 -4.544 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.409 0.426 -3.206 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.299 0.408 -2.196 1.00 0.00 C ATOM 0 HA PRO B 15 -12.596 0.636 -4.906 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.364 0.890 -5.295 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.611 -0.638 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.020 1.322 -3.097 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.071 -0.430 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.565 0.960 -1.295 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.052 -0.607 -1.886 1.00 0.00 H new ATOM 1712 N SER B 16 -12.408 3.019 -5.409 1.00 0.00 N ATOM 1713 CA SER B 16 -12.350 4.366 -5.962 1.00 0.00 C ATOM 1714 C SER B 16 -13.475 4.596 -6.962 1.00 0.00 C ATOM 1715 O SER B 16 -14.409 5.352 -6.701 1.00 0.00 O ATOM 1716 CB SER B 16 -11.007 4.589 -6.640 1.00 0.00 C ATOM 1717 OG SER B 16 -10.623 5.950 -6.564 1.00 0.00 O ATOM 0 H SER B 16 -11.528 2.506 -5.463 1.00 0.00 H new ATOM 0 HA SER B 16 -12.468 5.076 -5.143 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.248 3.966 -6.167 1.00 0.00 H new ATOM 0 HB3 SER B 16 -11.066 4.281 -7.684 1.00 0.00 H new ATOM 0 HG SER B 16 -10.248 6.135 -5.678 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.378 3.935 -8.104 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.390 4.073 -9.128 1.00 0.00 C ATOM 1725 C GLY B 17 -15.578 3.170 -8.875 1.00 0.00 C ATOM 1726 O GLY B 17 -15.953 2.373 -9.735 1.00 0.00 O ATOM 0 H GLY B 17 -12.613 3.303 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.725 5.110 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.957 3.838 -10.100 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.181 3.301 -7.696 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.343 2.499 -7.333 1.00 0.00 C ATOM 1732 C TYR B 18 -18.559 2.921 -8.158 1.00 0.00 C ATOM 1733 O TYR B 18 -19.549 3.415 -7.615 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.640 2.665 -5.840 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.332 1.480 -5.204 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.703 0.244 -5.126 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.607 1.602 -4.665 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.326 -0.839 -4.532 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.236 0.526 -4.065 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.592 -0.692 -4.000 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.214 -1.768 -3.404 1.00 0.00 O ATOM 0 H TYR B 18 -15.882 3.957 -6.975 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.127 1.451 -7.542 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.703 2.848 -5.314 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.261 3.550 -5.702 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.711 0.126 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.116 2.553 -4.715 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.825 -1.795 -4.485 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.226 0.639 -3.649 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.098 -1.497 -3.080 1.00 0.00 H new