USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 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 57 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.19) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 52 ASN :FLIP amide:sc= -6.13! C(o=-17!,f=-9.4!) USER MOD Set 2.2: B 16 SER OG : rot 76:sc= -3.28! USER MOD Set 3.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 GLN : amide:sc= -0.183 X(o=-0.18,f=0.15) USER MOD Set 4.2: B 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -37:sc= 0.252 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 89:sc= 0.063 USER MOD Single : A 20 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.43) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= -0.148 (180deg=-0.164) USER MOD Single : A 22 GLN : amide:sc= -1.73 X(o=-1.7,f=-2.1!) USER MOD Single : A 33 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.5!) USER MOD Single : A 35 MET CE :methyl 147:sc= -0.227 (180deg=-1.13) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -4.79! C(o=-6.6!,f=-4.8!) USER MOD Single : A 38 THR OG1 : rot 130:sc= -2.08 USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= 0.928 (180deg=0.646) USER MOD Single : A 44 THR OG1 : rot 74:sc= -0.478! USER MOD Single : A 46 MET CE :methyl -108:sc= -18.2! (180deg=-27.1!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -114:sc= -3.98 (180deg=-12.1!) 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+ -154:sc= 0.684 (180deg=0.176) USER MOD Single : A 77 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.32) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 153:sc= -0.0732 (180deg=-0.551) USER MOD Single : B 7 SER OG : rot 80:sc= -0.605 USER MOD Single : B 9 ASN : amide:sc= -2.45 K(o=-2.4,f=-4.8!) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.207 -8.737 -11.525 1.00 0.00 N ATOM 95 CA THR A 8 -3.859 -7.433 -11.481 1.00 0.00 C ATOM 96 C THR A 8 -4.794 -7.259 -12.663 1.00 0.00 C ATOM 97 O THR A 8 -5.867 -6.670 -12.528 1.00 0.00 O ATOM 98 CB THR A 8 -2.809 -6.317 -11.492 1.00 0.00 C ATOM 99 OG1 THR A 8 -1.841 -6.552 -12.498 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.074 -6.163 -10.177 1.00 0.00 C ATOM 0 HA THR A 8 -4.440 -7.375 -10.561 1.00 0.00 H new ATOM 0 HB THR A 8 -3.368 -5.401 -11.683 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.656 -7.513 -12.556 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.347 -5.355 -10.259 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.787 -5.930 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.558 -7.093 -9.938 1.00 0.00 H new ATOM 108 N ALA A 9 -4.417 -7.801 -13.812 1.00 0.00 N ATOM 109 CA ALA A 9 -5.272 -7.717 -14.981 1.00 0.00 C ATOM 110 C ALA A 9 -6.607 -8.379 -14.674 1.00 0.00 C ATOM 111 O ALA A 9 -7.645 -7.719 -14.624 1.00 0.00 O ATOM 112 CB ALA A 9 -4.607 -8.375 -16.183 1.00 0.00 C ATOM 0 H ALA A 9 -3.537 -8.296 -13.957 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.440 -6.669 -15.228 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.265 -8.301 -17.049 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.665 -7.871 -16.399 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.414 -9.425 -15.963 1.00 0.00 H new ATOM 118 N SER A 10 -6.578 -9.697 -14.498 1.00 0.00 N ATOM 119 CA SER A 10 -7.792 -10.461 -14.229 1.00 0.00 C ATOM 120 C SER A 10 -8.529 -9.943 -12.997 1.00 0.00 C ATOM 121 O SER A 10 -9.747 -10.111 -12.885 1.00 0.00 O ATOM 122 CB SER A 10 -7.449 -11.940 -14.039 1.00 0.00 C ATOM 123 OG SER A 10 -6.835 -12.477 -15.198 1.00 0.00 O ATOM 0 H SER A 10 -5.727 -10.258 -14.537 1.00 0.00 H new ATOM 0 HA SER A 10 -8.451 -10.342 -15.089 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.782 -12.054 -13.185 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.356 -12.500 -13.812 1.00 0.00 H new ATOM 0 HG SER A 10 -6.625 -13.422 -15.049 1.00 0.00 H new ATOM 129 N MET A 11 -7.813 -9.294 -12.080 1.00 0.00 N ATOM 130 CA MET A 11 -8.453 -8.763 -10.884 1.00 0.00 C ATOM 131 C MET A 11 -9.473 -7.708 -11.279 1.00 0.00 C ATOM 132 O MET A 11 -10.602 -7.697 -10.789 1.00 0.00 O ATOM 133 CB MET A 11 -7.413 -8.158 -9.935 1.00 0.00 C ATOM 134 CG MET A 11 -7.111 -9.028 -8.726 1.00 0.00 C ATOM 135 SD MET A 11 -7.614 -8.260 -7.174 1.00 0.00 S ATOM 136 CE MET A 11 -7.791 -9.699 -6.123 1.00 0.00 C ATOM 0 H MET A 11 -6.809 -9.127 -12.142 1.00 0.00 H new ATOM 0 HA MET A 11 -8.956 -9.579 -10.364 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.489 -7.984 -10.486 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.768 -7.186 -9.593 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.621 -9.985 -8.835 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.042 -9.239 -8.693 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.099 -9.385 -5.126 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.544 -10.366 -6.543 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.837 -10.223 -6.060 1.00 0.00 H new ATOM 146 N LEU A 12 -9.062 -6.832 -12.177 1.00 0.00 N ATOM 147 CA LEU A 12 -9.934 -5.773 -12.660 1.00 0.00 C ATOM 148 C LEU A 12 -11.114 -6.353 -13.431 1.00 0.00 C ATOM 149 O LEU A 12 -12.269 -6.134 -13.066 1.00 0.00 O ATOM 150 CB LEU A 12 -9.150 -4.789 -13.533 1.00 0.00 C ATOM 151 CG LEU A 12 -9.439 -3.306 -13.264 1.00 0.00 C ATOM 152 CD1 LEU A 12 -10.744 -2.890 -13.925 1.00 0.00 C ATOM 153 CD2 LEU A 12 -9.485 -3.019 -11.765 1.00 0.00 C ATOM 0 H LEU A 12 -8.129 -6.831 -12.588 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.325 -5.233 -11.798 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.085 -4.968 -13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.369 -5.002 -14.579 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.627 -2.720 -13.695 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.934 -1.836 -13.724 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.673 -3.047 -15.001 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.562 -3.489 -13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.691 -1.961 -11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.271 -3.617 -11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.525 -3.274 -11.316 1.00 0.00 H new ATOM 165 N ALA A 13 -10.824 -7.103 -14.492 1.00 0.00 N ATOM 166 CA ALA A 13 -11.867 -7.722 -15.307 1.00 0.00 C ATOM 167 C ALA A 13 -12.570 -8.867 -14.573 1.00 0.00 C ATOM 168 O ALA A 13 -13.336 -9.620 -15.175 1.00 0.00 O ATOM 169 CB ALA A 13 -11.266 -8.239 -16.595 1.00 0.00 C ATOM 0 H ALA A 13 -9.874 -7.297 -14.808 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.615 -6.958 -15.520 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.046 -8.700 -17.201 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.820 -7.411 -17.146 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.498 -8.979 -16.367 1.00 0.00 H new ATOM 175 N SER A 14 -12.330 -8.973 -13.272 1.00 0.00 N ATOM 176 CA SER A 14 -12.964 -10.004 -12.461 1.00 0.00 C ATOM 177 C SER A 14 -14.306 -9.509 -11.929 1.00 0.00 C ATOM 178 O SER A 14 -15.290 -10.248 -11.911 1.00 0.00 O ATOM 179 CB SER A 14 -12.057 -10.408 -11.294 1.00 0.00 C ATOM 180 OG SER A 14 -11.674 -11.768 -11.393 1.00 0.00 O ATOM 0 H SER A 14 -11.701 -8.358 -12.756 1.00 0.00 H new ATOM 0 HA SER A 14 -13.132 -10.878 -13.091 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.169 -9.777 -11.284 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.577 -10.241 -10.351 1.00 0.00 H new ATOM 0 HG SER A 14 -10.852 -11.839 -11.921 1.00 0.00 H new ATOM 186 N ALA A 15 -14.330 -8.258 -11.476 1.00 0.00 N ATOM 187 CA ALA A 15 -15.545 -7.669 -10.921 1.00 0.00 C ATOM 188 C ALA A 15 -15.859 -6.311 -11.555 1.00 0.00 C ATOM 189 O ALA A 15 -15.878 -5.284 -10.875 1.00 0.00 O ATOM 190 CB ALA A 15 -15.408 -7.543 -9.414 1.00 0.00 C ATOM 0 H ALA A 15 -13.523 -7.634 -11.482 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.381 -8.329 -11.152 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.316 -7.103 -9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.253 -8.530 -8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.556 -6.905 -9.178 1.00 0.00 H new ATOM 196 N PRO A 16 -16.109 -6.293 -12.879 1.00 0.00 N ATOM 197 CA PRO A 16 -16.425 -5.072 -13.620 1.00 0.00 C ATOM 198 C PRO A 16 -17.365 -4.130 -12.860 1.00 0.00 C ATOM 199 O PRO A 16 -17.108 -2.929 -12.784 1.00 0.00 O ATOM 200 CB PRO A 16 -17.101 -5.577 -14.904 1.00 0.00 C ATOM 201 CG PRO A 16 -17.025 -7.075 -14.879 1.00 0.00 C ATOM 202 CD PRO A 16 -16.095 -7.464 -13.762 1.00 0.00 C ATOM 0 HA PRO A 16 -15.526 -4.483 -13.799 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.138 -5.244 -14.951 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.599 -5.180 -15.786 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.014 -7.506 -14.722 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.659 -7.456 -15.832 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.441 -8.360 -13.246 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.092 -7.676 -14.131 1.00 0.00 H new ATOM 210 N PRO A 17 -18.478 -4.656 -12.304 1.00 0.00 N ATOM 211 CA PRO A 17 -19.459 -3.845 -11.564 1.00 0.00 C ATOM 212 C PRO A 17 -18.820 -2.968 -10.491 1.00 0.00 C ATOM 213 O PRO A 17 -17.640 -2.645 -10.567 1.00 0.00 O ATOM 214 CB PRO A 17 -20.368 -4.893 -10.921 1.00 0.00 C ATOM 215 CG PRO A 17 -20.284 -6.068 -11.828 1.00 0.00 C ATOM 216 CD PRO A 17 -18.880 -6.076 -12.367 1.00 0.00 C ATOM 0 HA PRO A 17 -19.977 -3.146 -12.220 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.033 -5.144 -9.914 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.392 -4.531 -10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.501 -6.992 -11.291 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.012 -5.990 -12.636 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.223 -6.706 -11.767 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -18.844 -6.458 -13.387 1.00 0.00 H new ATOM 224 N GLN A 18 -19.610 -2.581 -9.491 1.00 0.00 N ATOM 225 CA GLN A 18 -19.119 -1.728 -8.408 1.00 0.00 C ATOM 226 C GLN A 18 -17.858 -2.295 -7.766 1.00 0.00 C ATOM 227 O GLN A 18 -17.115 -1.567 -7.106 1.00 0.00 O ATOM 228 CB GLN A 18 -20.202 -1.531 -7.347 1.00 0.00 C ATOM 229 CG GLN A 18 -20.973 -2.798 -7.014 1.00 0.00 C ATOM 230 CD GLN A 18 -21.230 -2.953 -5.528 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.101 -2.292 -4.965 1.00 0.00 O ATOM 232 NE2 GLN A 18 -20.468 -3.830 -4.883 1.00 0.00 N ATOM 0 H GLN A 18 -20.592 -2.844 -9.407 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.866 -0.763 -8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.740 -1.148 -6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.903 -0.771 -7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.925 -2.789 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.416 -3.663 -7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -19.757 -4.357 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.594 -3.976 -3.881 1.00 0.00 H new ATOM 241 N GLU A 19 -17.598 -3.582 -7.967 1.00 0.00 N ATOM 242 CA GLU A 19 -16.408 -4.210 -7.410 1.00 0.00 C ATOM 243 C GLU A 19 -15.235 -4.079 -8.378 1.00 0.00 C ATOM 244 O GLU A 19 -14.373 -4.955 -8.450 1.00 0.00 O ATOM 245 CB GLU A 19 -16.683 -5.685 -7.113 1.00 0.00 C ATOM 246 CG GLU A 19 -17.859 -5.901 -6.175 1.00 0.00 C ATOM 247 CD GLU A 19 -17.911 -7.311 -5.622 1.00 0.00 C ATOM 248 OE1 GLU A 19 -18.259 -8.236 -6.384 1.00 0.00 O ATOM 249 OE2 GLU A 19 -17.604 -7.490 -4.425 1.00 0.00 O ATOM 0 H GLU A 19 -18.193 -4.208 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.150 -3.704 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.874 -6.207 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.791 -6.133 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.795 -5.193 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.787 -5.688 -6.706 1.00 0.00 H new ATOM 256 N GLN A 20 -15.182 -2.955 -9.081 1.00 0.00 N ATOM 257 CA GLN A 20 -14.089 -2.685 -10.005 1.00 0.00 C ATOM 258 C GLN A 20 -12.805 -2.438 -9.224 1.00 0.00 C ATOM 259 O GLN A 20 -12.007 -3.347 -8.996 1.00 0.00 O ATOM 260 CB GLN A 20 -14.392 -1.489 -10.936 1.00 0.00 C ATOM 261 CG GLN A 20 -15.588 -0.636 -10.529 1.00 0.00 C ATOM 262 CD GLN A 20 -15.979 0.368 -11.593 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.150 0.480 -11.957 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.999 1.104 -12.101 1.00 0.00 N ATOM 0 H GLN A 20 -15.883 -2.216 -9.029 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.968 -3.562 -10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.509 -0.851 -10.980 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.562 -1.868 -11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.438 -1.286 -10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.354 -0.107 -9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.042 0.978 -11.770 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.202 1.796 -12.823 1.00 0.00 H new ATOM 273 N LYS A 21 -12.635 -1.187 -8.812 1.00 0.00 N ATOM 274 CA LYS A 21 -11.476 -0.754 -8.039 1.00 0.00 C ATOM 275 C LYS A 21 -11.615 -1.130 -6.563 1.00 0.00 C ATOM 276 O LYS A 21 -10.917 -0.582 -5.711 1.00 0.00 O ATOM 277 CB LYS A 21 -11.296 0.755 -8.191 1.00 0.00 C ATOM 278 CG LYS A 21 -11.743 1.270 -9.552 1.00 0.00 C ATOM 279 CD LYS A 21 -10.563 1.653 -10.427 1.00 0.00 C ATOM 280 CE LYS A 21 -10.251 0.563 -11.440 1.00 0.00 C ATOM 281 NZ LYS A 21 -8.789 0.447 -11.702 1.00 0.00 N ATOM 0 H LYS A 21 -13.301 -0.440 -9.006 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.594 -1.266 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.863 1.264 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.247 1.008 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.334 0.504 -10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.392 2.136 -9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.781 2.585 -10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.688 1.834 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.631 -0.391 -11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.771 0.776 -12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.622 -0.284 -12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.424 1.359 -12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.299 0.185 -10.823 1.00 0.00 H new ATOM 295 N GLN A 22 -12.517 -2.063 -6.268 1.00 0.00 N ATOM 296 CA GLN A 22 -12.752 -2.505 -4.890 1.00 0.00 C ATOM 297 C GLN A 22 -11.512 -3.153 -4.294 1.00 0.00 C ATOM 298 O GLN A 22 -10.898 -2.611 -3.374 1.00 0.00 O ATOM 299 CB GLN A 22 -13.925 -3.493 -4.834 1.00 0.00 C ATOM 300 CG GLN A 22 -15.061 -3.051 -3.921 1.00 0.00 C ATOM 301 CD GLN A 22 -14.778 -3.318 -2.456 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.994 -4.202 -2.114 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.417 -2.550 -1.580 1.00 0.00 N ATOM 0 H GLN A 22 -13.099 -2.530 -6.963 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.995 -1.621 -4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.316 -3.635 -5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.556 -4.461 -4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.241 -1.985 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.975 -3.570 -4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.059 -1.828 -1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.266 -2.682 -0.580 1.00 0.00 H new ATOM 312 N MET A 23 -11.153 -4.320 -4.813 1.00 0.00 N ATOM 313 CA MET A 23 -9.992 -5.041 -4.319 1.00 0.00 C ATOM 314 C MET A 23 -8.744 -4.160 -4.368 1.00 0.00 C ATOM 315 O MET A 23 -8.420 -3.497 -3.392 1.00 0.00 O ATOM 316 CB MET A 23 -9.792 -6.335 -5.119 1.00 0.00 C ATOM 317 CG MET A 23 -11.055 -7.175 -5.240 1.00 0.00 C ATOM 318 SD MET A 23 -11.096 -8.550 -4.076 1.00 0.00 S ATOM 319 CE MET A 23 -11.710 -9.862 -5.131 1.00 0.00 C ATOM 0 H MET A 23 -11.649 -4.785 -5.574 1.00 0.00 H new ATOM 0 HA MET A 23 -10.165 -5.309 -3.277 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.435 -6.084 -6.118 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.013 -6.931 -4.643 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.925 -6.540 -5.075 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.132 -7.563 -6.256 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.792 -10.784 -4.555 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.691 -9.588 -5.519 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.021 -10.013 -5.962 1.00 0.00 H new ATOM 329 N LEU A 24 -8.039 -4.169 -5.494 1.00 0.00 N ATOM 330 CA LEU A 24 -6.806 -3.381 -5.651 1.00 0.00 C ATOM 331 C LEU A 24 -7.039 -1.870 -5.513 1.00 0.00 C ATOM 332 O LEU A 24 -6.643 -1.109 -6.395 1.00 0.00 O ATOM 333 CB LEU A 24 -6.144 -3.656 -7.019 1.00 0.00 C ATOM 334 CG LEU A 24 -6.927 -4.542 -7.991 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.063 -3.757 -8.631 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.995 -5.103 -9.051 1.00 0.00 C ATOM 0 H LEU A 24 -8.295 -4.713 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.148 -3.699 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.956 -2.699 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.173 -4.119 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.361 -5.374 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.609 -4.403 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.740 -3.399 -7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.655 -2.907 -9.178 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.562 -5.732 -9.738 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.537 -4.283 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.216 -5.697 -8.573 1.00 0.00 H new ATOM 348 N GLY A 25 -7.667 -1.426 -4.414 1.00 0.00 N ATOM 349 CA GLY A 25 -7.915 -0.001 -4.229 1.00 0.00 C ATOM 350 C GLY A 25 -8.118 0.729 -5.546 1.00 0.00 C ATOM 351 O GLY A 25 -8.665 0.164 -6.493 1.00 0.00 O ATOM 0 H GLY A 25 -8.003 -2.023 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.797 0.133 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.075 0.445 -3.696 1.00 0.00 H new ATOM 355 N GLU A 26 -7.653 1.969 -5.623 1.00 0.00 N ATOM 356 CA GLU A 26 -7.767 2.733 -6.854 1.00 0.00 C ATOM 357 C GLU A 26 -6.747 2.205 -7.867 1.00 0.00 C ATOM 358 O GLU A 26 -7.064 1.356 -8.701 1.00 0.00 O ATOM 359 CB GLU A 26 -7.607 4.253 -6.608 1.00 0.00 C ATOM 360 CG GLU A 26 -7.679 4.677 -5.139 1.00 0.00 C ATOM 361 CD GLU A 26 -8.647 5.820 -4.889 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.574 6.834 -5.608 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.482 5.695 -3.967 1.00 0.00 O ATOM 0 H GLU A 26 -7.198 2.462 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.769 2.601 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.649 4.574 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.384 4.780 -7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.977 3.820 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.685 4.973 -4.805 1.00 0.00 H new ATOM 370 N ARG A 27 -5.521 2.714 -7.777 1.00 0.00 N ATOM 371 CA ARG A 27 -4.438 2.299 -8.672 1.00 0.00 C ATOM 372 C ARG A 27 -3.121 2.142 -7.903 1.00 0.00 C ATOM 373 O ARG A 27 -2.042 2.059 -8.497 1.00 0.00 O ATOM 374 CB ARG A 27 -4.261 3.318 -9.803 1.00 0.00 C ATOM 375 CG ARG A 27 -5.068 3.014 -11.054 1.00 0.00 C ATOM 376 CD ARG A 27 -4.814 1.604 -11.561 1.00 0.00 C ATOM 377 NE ARG A 27 -4.621 1.569 -13.010 1.00 0.00 N ATOM 378 CZ ARG A 27 -4.796 0.481 -13.755 1.00 0.00 C ATOM 379 NH1 ARG A 27 -5.163 -0.665 -13.193 1.00 0.00 N ATOM 380 NH2 ARG A 27 -4.605 0.534 -15.066 1.00 0.00 N ATOM 0 H ARG A 27 -5.249 3.418 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.707 1.333 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.543 4.304 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.205 3.367 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.130 3.138 -10.841 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.814 3.732 -11.834 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.932 1.195 -11.068 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.655 0.965 -11.292 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.335 2.430 -13.477 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.312 -0.714 -12.185 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.296 -1.496 -13.769 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.323 1.410 -15.505 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.740 -0.302 -15.635 1.00 0.00 H new ATOM 394 N LEU A 28 -3.218 2.105 -6.578 1.00 0.00 N ATOM 395 CA LEU A 28 -2.048 1.971 -5.715 1.00 0.00 C ATOM 396 C LEU A 28 -1.509 0.542 -5.677 1.00 0.00 C ATOM 397 O LEU A 28 -0.301 0.327 -5.765 1.00 0.00 O ATOM 398 CB LEU A 28 -2.422 2.399 -4.301 1.00 0.00 C ATOM 399 CG LEU A 28 -1.916 3.768 -3.869 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.932 4.428 -2.939 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.562 3.633 -3.192 1.00 0.00 C ATOM 0 H LEU A 28 -4.103 2.166 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.263 2.607 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.508 2.390 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.040 1.654 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.794 4.402 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.563 5.407 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.882 4.544 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.077 3.804 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.208 4.618 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.656 2.993 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.151 3.191 -3.889 1.00 0.00 H new ATOM 413 N PHE A 29 -2.407 -0.428 -5.528 1.00 0.00 N ATOM 414 CA PHE A 29 -2.012 -1.837 -5.460 1.00 0.00 C ATOM 415 C PHE A 29 -1.092 -2.216 -6.619 1.00 0.00 C ATOM 416 O PHE A 29 -0.065 -2.857 -6.414 1.00 0.00 O ATOM 417 CB PHE A 29 -3.251 -2.733 -5.448 1.00 0.00 C ATOM 418 CG PHE A 29 -3.127 -4.001 -4.630 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.218 -4.127 -3.578 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.951 -5.079 -4.920 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.153 -5.306 -2.851 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.883 -6.247 -4.195 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.987 -6.361 -3.158 1.00 0.00 C ATOM 0 H PHE A 29 -3.411 -0.268 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.457 -1.985 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.093 -2.155 -5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.491 -3.006 -6.476 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.564 -3.304 -3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.660 -5.000 -5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.446 -5.399 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.533 -7.074 -4.440 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.936 -7.275 -2.585 1.00 0.00 H new ATOM 433 N PRO A 30 -1.439 -1.819 -7.853 1.00 0.00 N ATOM 434 CA PRO A 30 -0.620 -2.116 -9.028 1.00 0.00 C ATOM 435 C PRO A 30 0.769 -1.499 -8.909 1.00 0.00 C ATOM 436 O PRO A 30 1.780 -2.146 -9.185 1.00 0.00 O ATOM 437 CB PRO A 30 -1.388 -1.469 -10.190 1.00 0.00 C ATOM 438 CG PRO A 30 -2.766 -1.225 -9.675 1.00 0.00 C ATOM 439 CD PRO A 30 -2.637 -1.044 -8.192 1.00 0.00 C ATOM 0 HA PRO A 30 -0.465 -3.187 -9.158 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.915 -0.537 -10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.406 -2.124 -11.061 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.203 -0.340 -10.138 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.422 -2.063 -9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.524 0.007 -7.925 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.516 -1.414 -7.665 1.00 0.00 H new ATOM 447 N LEU A 31 0.801 -0.235 -8.500 1.00 0.00 N ATOM 448 CA LEU A 31 2.054 0.500 -8.343 1.00 0.00 C ATOM 449 C LEU A 31 2.875 -0.036 -7.174 1.00 0.00 C ATOM 450 O LEU A 31 4.082 -0.296 -7.287 1.00 0.00 O ATOM 451 CB LEU A 31 1.744 1.974 -8.119 1.00 0.00 C ATOM 452 CG LEU A 31 0.722 2.572 -9.091 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.075 3.814 -8.496 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.377 2.889 -10.425 1.00 0.00 C ATOM 0 H LEU A 31 -0.032 0.306 -8.269 1.00 0.00 H new ATOM 0 HA LEU A 31 2.643 0.372 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.375 2.102 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.672 2.541 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.061 1.834 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.647 4.222 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.434 3.550 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.842 4.560 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.636 3.313 -11.103 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.183 3.607 -10.273 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.783 1.975 -10.857 1.00 0.00 H new ATOM 466 N ILE A 32 2.206 -0.222 -6.052 1.00 0.00 N ATOM 467 CA ILE A 32 2.859 -0.739 -4.868 1.00 0.00 C ATOM 468 C ILE A 32 3.279 -2.173 -5.128 1.00 0.00 C ATOM 469 O ILE A 32 4.394 -2.568 -4.807 1.00 0.00 O ATOM 470 CB ILE A 32 1.931 -0.662 -3.644 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.711 -0.885 -2.343 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.805 -1.662 -3.790 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.313 -2.257 -2.194 1.00 0.00 C ATOM 0 H ILE A 32 1.212 -0.023 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 32 3.737 -0.131 -4.650 1.00 0.00 H new ATOM 0 HB ILE A 32 1.501 0.338 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.509 -0.145 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.044 -0.703 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.151 -1.603 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.233 -1.437 -4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.219 -2.668 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.844 -2.320 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.522 -3.006 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.010 -2.440 -3.012 1.00 0.00 H new ATOM 485 N GLN A 33 2.388 -2.940 -5.753 1.00 0.00 N ATOM 486 CA GLN A 33 2.686 -4.319 -6.105 1.00 0.00 C ATOM 487 C GLN A 33 4.100 -4.408 -6.679 1.00 0.00 C ATOM 488 O GLN A 33 4.878 -5.298 -6.335 1.00 0.00 O ATOM 489 CB GLN A 33 1.684 -4.836 -7.139 1.00 0.00 C ATOM 490 CG GLN A 33 0.547 -5.643 -6.537 1.00 0.00 C ATOM 491 CD GLN A 33 0.530 -7.078 -7.027 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.552 -7.609 -7.460 1.00 0.00 O ATOM 493 NE2 GLN A 33 -0.635 -7.711 -6.965 1.00 0.00 N ATOM 0 H GLN A 33 1.456 -2.627 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 33 2.614 -4.932 -5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.268 -3.989 -7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.211 -5.454 -7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.635 -5.635 -5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.402 -5.167 -6.783 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.457 -7.231 -6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.708 -8.677 -7.284 1.00 0.00 H new ATOM 502 N ALA A 34 4.408 -3.461 -7.566 1.00 0.00 N ATOM 503 CA ALA A 34 5.714 -3.395 -8.219 1.00 0.00 C ATOM 504 C ALA A 34 6.850 -3.248 -7.217 1.00 0.00 C ATOM 505 O ALA A 34 7.953 -3.750 -7.435 1.00 0.00 O ATOM 506 CB ALA A 34 5.742 -2.248 -9.218 1.00 0.00 C ATOM 0 H ALA A 34 3.763 -2.723 -7.850 1.00 0.00 H new ATOM 0 HA ALA A 34 5.865 -4.338 -8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.719 -2.208 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.972 -2.405 -9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.554 -1.308 -8.698 1.00 0.00 H new ATOM 512 N MET A 35 6.579 -2.550 -6.131 1.00 0.00 N ATOM 513 CA MET A 35 7.598 -2.324 -5.094 1.00 0.00 C ATOM 514 C MET A 35 7.437 -3.293 -3.924 1.00 0.00 C ATOM 515 O MET A 35 8.382 -3.987 -3.549 1.00 0.00 O ATOM 516 CB MET A 35 7.526 -0.887 -4.578 1.00 0.00 C ATOM 517 CG MET A 35 7.508 0.153 -5.686 1.00 0.00 C ATOM 518 SD MET A 35 8.584 1.559 -5.339 1.00 0.00 S ATOM 519 CE MET A 35 10.172 0.745 -5.195 1.00 0.00 C ATOM 0 H MET A 35 5.672 -2.127 -5.934 1.00 0.00 H new ATOM 0 HA MET A 35 8.571 -2.499 -5.553 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.630 -0.773 -3.968 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.380 -0.699 -3.928 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.817 -0.313 -6.621 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.487 0.508 -5.829 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.956 1.409 -5.559 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.361 0.499 -4.150 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.167 -0.169 -5.788 1.00 0.00 H new ATOM 529 N HIS A 36 6.237 -3.347 -3.368 1.00 0.00 N ATOM 530 CA HIS A 36 5.942 -4.245 -2.255 1.00 0.00 C ATOM 531 C HIS A 36 6.825 -3.982 -1.039 1.00 0.00 C ATOM 532 O HIS A 36 7.369 -4.916 -0.450 1.00 0.00 O ATOM 533 CB HIS A 36 6.119 -5.699 -2.687 1.00 0.00 C ATOM 534 CG HIS A 36 4.881 -6.314 -3.258 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.616 -5.844 -3.326 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.856 -7.565 -3.836 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.853 -6.813 -3.937 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.626 -7.840 -4.235 1.00 0.00 N flip ATOM 0 H HIS A 36 5.446 -2.778 -3.669 1.00 0.00 H new ATOM 0 HA HIS A 36 4.908 -4.055 -1.969 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.916 -5.753 -3.429 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.442 -6.287 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.709 -8.219 -3.946 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.794 -6.744 -4.139 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.326 -8.700 -4.695 1.00 0.00 H new ATOM 546 N PRO A 37 6.970 -2.720 -0.616 1.00 0.00 N ATOM 547 CA PRO A 37 7.775 -2.404 0.554 1.00 0.00 C ATOM 548 C PRO A 37 7.186 -3.053 1.803 1.00 0.00 C ATOM 549 O PRO A 37 7.719 -4.039 2.310 1.00 0.00 O ATOM 550 CB PRO A 37 7.722 -0.874 0.645 1.00 0.00 C ATOM 551 CG PRO A 37 6.542 -0.466 -0.171 1.00 0.00 C ATOM 552 CD PRO A 37 6.353 -1.529 -1.213 1.00 0.00 C ATOM 0 HA PRO A 37 8.796 -2.776 0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.616 -0.546 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.638 -0.426 0.261 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.653 -0.373 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.709 0.506 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.298 -1.692 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.834 -1.258 -2.153 1.00 0.00 H new ATOM 560 N THR A 38 6.097 -2.481 2.308 1.00 0.00 N ATOM 561 CA THR A 38 5.454 -2.996 3.515 1.00 0.00 C ATOM 562 C THR A 38 4.292 -3.921 3.175 1.00 0.00 C ATOM 563 O THR A 38 4.274 -5.085 3.576 1.00 0.00 O ATOM 564 CB THR A 38 4.956 -1.844 4.402 1.00 0.00 C ATOM 565 OG1 THR A 38 3.671 -1.411 3.992 1.00 0.00 O ATOM 566 CG2 THR A 38 5.865 -0.632 4.405 1.00 0.00 C ATOM 0 H THR A 38 5.642 -1.663 1.903 1.00 0.00 H new ATOM 0 HA THR A 38 6.203 -3.569 4.062 1.00 0.00 H new ATOM 0 HB THR A 38 4.936 -2.259 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.075 -1.373 4.769 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.445 0.136 5.054 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.851 -0.917 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.954 -0.242 3.391 1.00 0.00 H new ATOM 574 N LEU A 39 3.317 -3.393 2.443 1.00 0.00 N ATOM 575 CA LEU A 39 2.147 -4.172 2.061 1.00 0.00 C ATOM 576 C LEU A 39 1.343 -3.452 0.984 1.00 0.00 C ATOM 577 O LEU A 39 0.725 -2.420 1.242 1.00 0.00 O ATOM 578 CB LEU A 39 1.262 -4.428 3.285 1.00 0.00 C ATOM 579 CG LEU A 39 1.073 -5.902 3.657 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.910 -6.262 4.877 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.400 -6.204 3.911 1.00 0.00 C ATOM 0 H LEU A 39 3.314 -2.431 2.103 1.00 0.00 H new ATOM 0 HA LEU A 39 2.489 -5.125 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.692 -3.906 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.282 -3.987 3.103 1.00 0.00 H new ATOM 0 HG LEU A 39 1.411 -6.512 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.760 -7.313 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.964 -6.086 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.606 -5.644 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.516 -7.255 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.763 -5.583 4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.976 -5.990 3.011 1.00 0.00 H new ATOM 593 N ALA A 40 1.342 -4.013 -0.219 1.00 0.00 N ATOM 594 CA ALA A 40 0.601 -3.447 -1.342 1.00 0.00 C ATOM 595 C ALA A 40 -0.839 -3.112 -0.965 1.00 0.00 C ATOM 596 O ALA A 40 -1.315 -2.009 -1.235 1.00 0.00 O ATOM 597 CB ALA A 40 0.671 -4.409 -2.525 1.00 0.00 C ATOM 0 H ALA A 40 1.851 -4.868 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 40 1.063 -2.502 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.119 -3.991 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.712 -4.558 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.232 -5.366 -2.242 1.00 0.00 H new ATOM 603 N GLY A 41 -1.535 -4.063 -0.362 1.00 0.00 N ATOM 604 CA GLY A 41 -2.919 -3.838 0.017 1.00 0.00 C ATOM 605 C GLY A 41 -3.100 -2.711 1.022 1.00 0.00 C ATOM 606 O GLY A 41 -4.035 -1.918 0.907 1.00 0.00 O ATOM 0 H GLY A 41 -1.170 -4.986 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.500 -3.613 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.326 -4.758 0.438 1.00 0.00 H new ATOM 610 N LYS A 42 -2.222 -2.650 2.018 1.00 0.00 N ATOM 611 CA LYS A 42 -2.314 -1.623 3.057 1.00 0.00 C ATOM 612 C LYS A 42 -1.747 -0.274 2.599 1.00 0.00 C ATOM 613 O LYS A 42 -2.339 0.776 2.864 1.00 0.00 O ATOM 614 CB LYS A 42 -1.599 -2.091 4.328 1.00 0.00 C ATOM 615 CG LYS A 42 -2.537 -2.686 5.368 1.00 0.00 C ATOM 616 CD LYS A 42 -2.197 -2.202 6.769 1.00 0.00 C ATOM 617 CE LYS A 42 -2.948 -0.925 7.112 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.353 -1.201 7.524 1.00 0.00 N ATOM 0 H LYS A 42 -1.440 -3.296 2.130 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.373 -1.473 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.848 -2.834 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.069 -1.247 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.565 -2.416 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.477 -3.774 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.445 -2.978 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.124 -2.026 6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.429 -0.404 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.947 -0.260 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.925 -0.340 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.745 -1.961 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.371 -1.495 8.521 1.00 0.00 H new ATOM 632 N ILE A 43 -0.614 -0.297 1.897 1.00 0.00 N ATOM 633 CA ILE A 43 -0.007 0.939 1.405 1.00 0.00 C ATOM 634 C ILE A 43 -1.040 1.741 0.627 1.00 0.00 C ATOM 635 O ILE A 43 -1.197 2.945 0.813 1.00 0.00 O ATOM 636 CB ILE A 43 1.216 0.649 0.492 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.472 1.349 1.016 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.951 1.069 -0.953 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.573 0.393 1.420 1.00 0.00 C ATOM 0 H ILE A 43 -0.103 -1.147 1.659 1.00 0.00 H new ATOM 0 HA ILE A 43 0.340 1.510 2.267 1.00 0.00 H new ATOM 0 HB ILE A 43 1.380 -0.428 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.851 2.022 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.204 1.965 1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.828 0.851 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.094 0.518 -1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.741 2.138 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.432 0.959 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.212 -0.264 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.869 -0.206 0.559 1.00 0.00 H new ATOM 651 N THR A 44 -1.727 1.043 -0.261 1.00 0.00 N ATOM 652 CA THR A 44 -2.741 1.640 -1.108 1.00 0.00 C ATOM 653 C THR A 44 -3.739 2.456 -0.293 1.00 0.00 C ATOM 654 O THR A 44 -3.991 3.620 -0.594 1.00 0.00 O ATOM 655 CB THR A 44 -3.463 0.527 -1.877 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.563 -0.179 -2.715 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.598 1.023 -2.738 1.00 0.00 C ATOM 0 H THR A 44 -1.596 0.043 -0.414 1.00 0.00 H new ATOM 0 HA THR A 44 -2.258 2.323 -1.807 1.00 0.00 H new ATOM 0 HB THR A 44 -3.876 -0.123 -1.106 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.990 -0.756 -2.168 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.061 0.180 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.340 1.518 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.214 1.729 -3.474 1.00 0.00 H new ATOM 665 N GLY A 45 -4.288 1.855 0.756 1.00 0.00 N ATOM 666 CA GLY A 45 -5.230 2.573 1.595 1.00 0.00 C ATOM 667 C GLY A 45 -4.646 3.878 2.084 1.00 0.00 C ATOM 668 O GLY A 45 -5.371 4.804 2.451 1.00 0.00 O ATOM 0 H GLY A 45 -4.101 0.893 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.144 2.769 1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.506 1.953 2.448 1.00 0.00 H new ATOM 672 N MET A 46 -3.322 3.941 2.085 1.00 0.00 N ATOM 673 CA MET A 46 -2.603 5.119 2.526 1.00 0.00 C ATOM 674 C MET A 46 -2.648 6.239 1.487 1.00 0.00 C ATOM 675 O MET A 46 -3.250 7.286 1.726 1.00 0.00 O ATOM 676 CB MET A 46 -1.157 4.744 2.825 1.00 0.00 C ATOM 677 CG MET A 46 -0.645 5.307 4.132 1.00 0.00 C ATOM 678 SD MET A 46 0.487 6.687 3.901 1.00 0.00 S ATOM 679 CE MET A 46 1.623 5.984 2.716 1.00 0.00 C ATOM 0 H MET A 46 -2.720 3.176 1.780 1.00 0.00 H new ATOM 0 HA MET A 46 -3.088 5.493 3.428 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.069 3.658 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.523 5.099 2.013 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.490 5.634 4.738 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.140 4.518 4.689 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.576 5.778 3.203 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.209 5.056 2.321 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.778 6.688 1.899 1.00 0.00 H new ATOM 689 N LEU A 47 -1.983 6.039 0.345 1.00 0.00 N ATOM 690 CA LEU A 47 -1.946 7.083 -0.685 1.00 0.00 C ATOM 691 C LEU A 47 -3.354 7.444 -1.117 1.00 0.00 C ATOM 692 O LEU A 47 -3.581 8.536 -1.636 1.00 0.00 O ATOM 693 CB LEU A 47 -1.097 6.680 -1.914 1.00 0.00 C ATOM 694 CG LEU A 47 0.350 6.247 -1.655 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.323 7.113 -2.441 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.683 6.260 -0.177 1.00 0.00 C ATOM 0 H LEU A 47 -1.474 5.186 0.113 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.466 7.953 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.608 5.863 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.079 7.524 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 47 0.451 5.219 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.344 6.787 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.114 7.019 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.209 8.154 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.717 5.947 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.551 7.268 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.020 5.574 0.351 1.00 0.00 H new ATOM 708 N LEU A 48 -4.301 6.521 -0.931 1.00 0.00 N ATOM 709 CA LEU A 48 -5.693 6.747 -1.326 1.00 0.00 C ATOM 710 C LEU A 48 -6.279 8.054 -0.754 1.00 0.00 C ATOM 711 O LEU A 48 -7.487 8.280 -0.840 1.00 0.00 O ATOM 712 CB LEU A 48 -6.559 5.560 -0.878 1.00 0.00 C ATOM 713 CG LEU A 48 -7.236 4.784 -2.010 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.249 3.839 -2.667 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.441 4.010 -1.492 1.00 0.00 C ATOM 0 H LEU A 48 -4.128 5.609 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.701 6.840 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.936 4.871 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.329 5.928 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.583 5.502 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.746 3.295 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.416 4.410 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.874 3.132 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.905 3.467 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.118 3.304 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.163 4.705 -1.063 1.00 0.00 H new ATOM 727 N GLU A 49 -5.432 8.913 -0.188 1.00 0.00 N ATOM 728 CA GLU A 49 -5.878 10.185 0.367 1.00 0.00 C ATOM 729 C GLU A 49 -6.212 11.174 -0.748 1.00 0.00 C ATOM 730 O GLU A 49 -6.730 12.261 -0.494 1.00 0.00 O ATOM 731 CB GLU A 49 -4.774 10.782 1.246 1.00 0.00 C ATOM 732 CG GLU A 49 -3.493 11.084 0.482 1.00 0.00 C ATOM 733 CD GLU A 49 -3.205 12.569 0.386 1.00 0.00 C ATOM 734 OE1 GLU A 49 -3.156 13.234 1.442 1.00 0.00 O ATOM 735 OE2 GLU A 49 -3.027 13.066 -0.746 1.00 0.00 O ATOM 0 H GLU A 49 -4.429 8.748 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.773 10.003 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.141 11.701 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.550 10.089 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.656 10.587 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.567 10.667 -0.522 1.00 0.00 H new ATOM 742 N ILE A 50 -5.893 10.796 -1.984 1.00 0.00 N ATOM 743 CA ILE A 50 -6.141 11.649 -3.133 1.00 0.00 C ATOM 744 C ILE A 50 -7.304 11.117 -3.985 1.00 0.00 C ATOM 745 O ILE A 50 -7.887 10.080 -3.667 1.00 0.00 O ATOM 746 CB ILE A 50 -4.855 11.787 -3.978 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.848 13.120 -4.728 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.688 10.615 -4.933 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.615 13.949 -4.458 1.00 0.00 C ATOM 0 H ILE A 50 -5.461 9.900 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.429 12.636 -2.770 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.002 11.773 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.921 12.927 -5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.732 13.693 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.773 10.745 -5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.629 9.687 -4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.542 10.572 -5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.673 14.881 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.552 14.171 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.729 13.394 -4.766 1.00 0.00 H new ATOM 761 N ASP A 51 -7.621 11.818 -5.075 1.00 0.00 N ATOM 762 CA ASP A 51 -8.687 11.410 -5.981 1.00 0.00 C ATOM 763 C ASP A 51 -8.276 10.212 -6.838 1.00 0.00 C ATOM 764 O ASP A 51 -7.117 10.093 -7.231 1.00 0.00 O ATOM 765 CB ASP A 51 -9.087 12.580 -6.882 1.00 0.00 C ATOM 766 CG ASP A 51 -10.434 12.368 -7.543 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.008 11.269 -7.384 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.916 13.300 -8.220 1.00 0.00 O ATOM 0 H ASP A 51 -7.147 12.678 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.539 11.108 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.115 13.496 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.327 12.719 -7.650 1.00 0.00 H new ATOM 773 N ASN A 52 -9.236 9.344 -7.146 1.00 0.00 N ATOM 774 CA ASN A 52 -8.967 8.177 -7.984 1.00 0.00 C ATOM 775 C ASN A 52 -8.286 8.592 -9.287 1.00 0.00 C ATOM 776 O ASN A 52 -7.623 7.782 -9.934 1.00 0.00 O ATOM 777 CB ASN A 52 -10.266 7.424 -8.301 1.00 0.00 C ATOM 778 CG ASN A 52 -10.013 6.104 -9.013 1.00 0.00 C ATOM 779 OD1 ASN A 52 -11.082 5.368 -9.317 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.868 5.746 -9.287 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.203 9.425 -6.830 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.300 7.516 -7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.809 7.236 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.904 8.052 -8.922 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.075 6.337 -9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.712 4.858 -9.763 1.00 0.00 H new ATOM 787 N SER A 53 -8.467 9.851 -9.677 1.00 0.00 N ATOM 788 CA SER A 53 -7.882 10.355 -10.915 1.00 0.00 C ATOM 789 C SER A 53 -6.375 10.559 -10.789 1.00 0.00 C ATOM 790 O SER A 53 -5.651 10.512 -11.783 1.00 0.00 O ATOM 791 CB SER A 53 -8.556 11.666 -11.327 1.00 0.00 C ATOM 792 OG SER A 53 -8.912 11.648 -12.701 1.00 0.00 O ATOM 0 H SER A 53 -9.012 10.538 -9.156 1.00 0.00 H new ATOM 0 HA SER A 53 -8.052 9.604 -11.686 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.447 11.827 -10.720 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.883 12.501 -11.134 1.00 0.00 H new ATOM 0 HG SER A 53 -9.342 12.496 -12.939 1.00 0.00 H new ATOM 798 N GLU A 54 -5.902 10.781 -9.568 1.00 0.00 N ATOM 799 CA GLU A 54 -4.476 10.988 -9.337 1.00 0.00 C ATOM 800 C GLU A 54 -3.722 9.666 -9.400 1.00 0.00 C ATOM 801 O GLU A 54 -2.647 9.577 -9.993 1.00 0.00 O ATOM 802 CB GLU A 54 -4.245 11.659 -7.981 1.00 0.00 C ATOM 803 CG GLU A 54 -3.735 13.086 -8.093 1.00 0.00 C ATOM 804 CD GLU A 54 -2.380 13.166 -8.768 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.331 13.057 -10.012 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.369 13.339 -8.054 1.00 0.00 O ATOM 0 H GLU A 54 -6.479 10.822 -8.728 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.097 11.642 -10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.179 11.658 -7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.529 11.069 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.453 13.682 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.668 13.524 -7.097 1.00 0.00 H new ATOM 813 N LEU A 55 -4.294 8.641 -8.782 1.00 0.00 N ATOM 814 CA LEU A 55 -3.683 7.321 -8.763 1.00 0.00 C ATOM 815 C LEU A 55 -3.495 6.777 -10.175 1.00 0.00 C ATOM 816 O LEU A 55 -2.475 6.165 -10.487 1.00 0.00 O ATOM 817 CB LEU A 55 -4.541 6.365 -7.944 1.00 0.00 C ATOM 818 CG LEU A 55 -4.378 6.500 -6.435 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.583 7.187 -5.818 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.151 5.137 -5.809 1.00 0.00 C ATOM 0 H LEU A 55 -5.183 8.700 -8.286 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.699 7.409 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.588 6.528 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.298 5.342 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.505 7.121 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.442 7.271 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.694 8.182 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.480 6.602 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.036 5.246 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.005 4.493 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.249 4.691 -6.227 1.00 0.00 H new ATOM 832 N LEU A 56 -4.482 7.021 -11.026 1.00 0.00 N ATOM 833 CA LEU A 56 -4.421 6.570 -12.411 1.00 0.00 C ATOM 834 C LEU A 56 -3.332 7.329 -13.161 1.00 0.00 C ATOM 835 O LEU A 56 -2.699 6.798 -14.074 1.00 0.00 O ATOM 836 CB LEU A 56 -5.773 6.757 -13.101 1.00 0.00 C ATOM 837 CG LEU A 56 -6.726 5.562 -12.983 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.020 5.972 -12.301 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.010 4.966 -14.353 1.00 0.00 C ATOM 0 H LEU A 56 -5.333 7.528 -10.783 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.179 5.507 -12.419 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.261 7.636 -12.680 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.600 6.963 -14.157 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.243 4.801 -12.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.682 5.109 -12.228 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.801 6.348 -11.301 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.507 6.754 -12.884 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.688 4.119 -14.248 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.469 5.722 -14.990 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.076 4.629 -14.804 1.00 0.00 H new ATOM 851 N HIS A 57 -3.116 8.576 -12.753 1.00 0.00 N ATOM 852 CA HIS A 57 -2.101 9.423 -13.365 1.00 0.00 C ATOM 853 C HIS A 57 -0.708 8.866 -13.088 1.00 0.00 C ATOM 854 O HIS A 57 0.168 8.892 -13.955 1.00 0.00 O ATOM 855 CB HIS A 57 -2.215 10.851 -12.821 1.00 0.00 C ATOM 856 CG HIS A 57 -2.065 11.912 -13.866 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.250 11.775 -14.970 1.00 0.00 N ATOM 858 CD2 HIS A 57 -2.633 13.137 -13.972 1.00 0.00 C ATOM 859 CE1 HIS A 57 -1.319 12.869 -15.707 1.00 0.00 C ATOM 860 NE2 HIS A 57 -2.153 13.710 -15.125 1.00 0.00 N ATOM 0 H HIS A 57 -3.634 9.023 -11.997 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.261 9.439 -14.443 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.184 10.968 -12.335 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.454 10.999 -12.055 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.333 13.581 -13.279 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.784 13.045 -16.629 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.401 14.636 -15.474 1.00 0.00 H new ATOM 868 N MET A 58 -0.515 8.358 -11.875 1.00 0.00 N ATOM 869 CA MET A 58 0.767 7.786 -11.475 1.00 0.00 C ATOM 870 C MET A 58 1.121 6.591 -12.351 1.00 0.00 C ATOM 871 O MET A 58 2.247 6.458 -12.824 1.00 0.00 O ATOM 872 CB MET A 58 0.728 7.332 -10.008 1.00 0.00 C ATOM 873 CG MET A 58 -0.182 8.160 -9.118 1.00 0.00 C ATOM 874 SD MET A 58 0.166 7.923 -7.365 1.00 0.00 S ATOM 875 CE MET A 58 -0.802 6.462 -7.007 1.00 0.00 C ATOM 0 H MET A 58 -1.232 8.331 -11.150 1.00 0.00 H new ATOM 0 HA MET A 58 1.524 8.562 -11.594 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.404 6.292 -9.971 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.740 7.365 -9.603 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.068 9.215 -9.368 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.220 7.895 -9.318 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.606 6.718 -6.318 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.227 6.072 -7.932 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.163 5.704 -6.553 1.00 0.00 H new ATOM 885 N LEU A 59 0.148 5.714 -12.545 1.00 0.00 N ATOM 886 CA LEU A 59 0.346 4.509 -13.335 1.00 0.00 C ATOM 887 C LEU A 59 0.752 4.841 -14.771 1.00 0.00 C ATOM 888 O LEU A 59 1.428 4.050 -15.427 1.00 0.00 O ATOM 889 CB LEU A 59 -0.933 3.669 -13.311 1.00 0.00 C ATOM 890 CG LEU A 59 -1.089 2.660 -14.451 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.520 1.305 -13.910 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.090 3.176 -15.473 1.00 0.00 C ATOM 0 H LEU A 59 -0.792 5.816 -12.163 1.00 0.00 H new ATOM 0 HA LEU A 59 1.162 3.935 -12.896 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.973 3.129 -12.365 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.789 4.344 -13.329 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.124 2.536 -14.943 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.626 0.601 -14.735 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.768 0.936 -13.212 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.475 1.406 -13.395 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.193 2.450 -16.280 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.057 3.324 -14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.738 4.124 -15.880 1.00 0.00 H new ATOM 904 N GLU A 60 0.358 6.015 -15.250 1.00 0.00 N ATOM 905 CA GLU A 60 0.711 6.430 -16.604 1.00 0.00 C ATOM 906 C GLU A 60 1.968 7.300 -16.600 1.00 0.00 C ATOM 907 O GLU A 60 2.560 7.554 -17.650 1.00 0.00 O ATOM 908 CB GLU A 60 -0.449 7.184 -17.260 1.00 0.00 C ATOM 909 CG GLU A 60 -0.934 8.382 -16.462 1.00 0.00 C ATOM 910 CD GLU A 60 -1.992 9.178 -17.201 1.00 0.00 C ATOM 911 OE1 GLU A 60 -1.903 9.274 -18.442 1.00 0.00 O ATOM 912 OE2 GLU A 60 -2.912 9.704 -16.538 1.00 0.00 O ATOM 0 H GLU A 60 -0.200 6.691 -14.728 1.00 0.00 H new ATOM 0 HA GLU A 60 0.916 5.531 -17.185 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.138 7.520 -18.249 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.281 6.495 -17.405 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.339 8.041 -15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.088 9.030 -16.235 1.00 0.00 H new ATOM 919 N SER A 61 2.376 7.751 -15.414 1.00 0.00 N ATOM 920 CA SER A 61 3.565 8.586 -15.280 1.00 0.00 C ATOM 921 C SER A 61 4.479 8.063 -14.170 1.00 0.00 C ATOM 922 O SER A 61 4.300 8.397 -12.999 1.00 0.00 O ATOM 923 CB SER A 61 3.165 10.033 -14.983 1.00 0.00 C ATOM 924 OG SER A 61 2.145 10.471 -15.866 1.00 0.00 O ATOM 0 H SER A 61 1.900 7.551 -14.534 1.00 0.00 H new ATOM 0 HA SER A 61 4.111 8.550 -16.223 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.818 10.114 -13.953 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.036 10.681 -15.078 1.00 0.00 H new ATOM 0 HG SER A 61 1.905 11.398 -15.655 1.00 0.00 H new ATOM 930 N PRO A 62 5.474 7.229 -14.525 1.00 0.00 N ATOM 931 CA PRO A 62 6.417 6.659 -13.554 1.00 0.00 C ATOM 932 C PRO A 62 7.052 7.722 -12.659 1.00 0.00 C ATOM 933 O PRO A 62 7.199 7.527 -11.451 1.00 0.00 O ATOM 934 CB PRO A 62 7.481 6.002 -14.436 1.00 0.00 C ATOM 935 CG PRO A 62 6.777 5.685 -15.708 1.00 0.00 C ATOM 936 CD PRO A 62 5.758 6.774 -15.901 1.00 0.00 C ATOM 0 HA PRO A 62 5.924 5.970 -12.868 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.323 6.673 -14.606 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.880 5.101 -13.970 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.476 5.653 -16.543 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.298 4.707 -15.656 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.148 7.583 -16.519 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.860 6.401 -16.394 1.00 0.00 H new ATOM 944 N GLU A 63 7.435 8.842 -13.262 1.00 0.00 N ATOM 945 CA GLU A 63 8.065 9.942 -12.531 1.00 0.00 C ATOM 946 C GLU A 63 7.226 10.363 -11.327 1.00 0.00 C ATOM 947 O GLU A 63 7.723 10.449 -10.204 1.00 0.00 O ATOM 948 CB GLU A 63 8.258 11.140 -13.459 1.00 0.00 C ATOM 949 CG GLU A 63 6.995 11.545 -14.199 1.00 0.00 C ATOM 950 CD GLU A 63 7.287 12.304 -15.479 1.00 0.00 C ATOM 951 OE1 GLU A 63 7.797 13.439 -15.393 1.00 0.00 O ATOM 952 OE2 GLU A 63 7.004 11.761 -16.567 1.00 0.00 O ATOM 0 H GLU A 63 7.320 9.015 -14.261 1.00 0.00 H new ATOM 0 HA GLU A 63 9.032 9.593 -12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.614 11.988 -12.874 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.035 10.905 -14.186 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.414 10.653 -14.434 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.379 12.164 -13.547 1.00 0.00 H new ATOM 959 N SER A 64 5.951 10.614 -11.577 1.00 0.00 N ATOM 960 CA SER A 64 5.025 11.019 -10.530 1.00 0.00 C ATOM 961 C SER A 64 4.628 9.804 -9.714 1.00 0.00 C ATOM 962 O SER A 64 4.333 9.899 -8.527 1.00 0.00 O ATOM 963 CB SER A 64 3.782 11.668 -11.142 1.00 0.00 C ATOM 964 OG SER A 64 3.506 12.921 -10.537 1.00 0.00 O ATOM 0 H SER A 64 5.531 10.544 -12.504 1.00 0.00 H new ATOM 0 HA SER A 64 5.512 11.748 -9.883 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.930 11.803 -12.213 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.925 11.006 -11.019 1.00 0.00 H new ATOM 0 HG SER A 64 2.708 13.314 -10.948 1.00 0.00 H new ATOM 970 N LEU A 65 4.619 8.662 -10.384 1.00 0.00 N ATOM 971 CA LEU A 65 4.257 7.405 -9.764 1.00 0.00 C ATOM 972 C LEU A 65 5.133 7.122 -8.565 1.00 0.00 C ATOM 973 O LEU A 65 4.655 7.082 -7.431 1.00 0.00 O ATOM 974 CB LEU A 65 4.403 6.271 -10.783 1.00 0.00 C ATOM 975 CG LEU A 65 4.143 4.857 -10.255 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.449 4.184 -9.850 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.168 4.883 -9.090 1.00 0.00 C ATOM 0 H LEU A 65 4.863 8.585 -11.371 1.00 0.00 H new ATOM 0 HA LEU A 65 3.222 7.471 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.718 6.461 -11.609 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.413 6.305 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 65 3.693 4.274 -11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.241 3.181 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.109 4.121 -10.715 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.932 4.769 -9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.000 3.867 -8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.582 5.487 -8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.222 5.314 -9.417 1.00 0.00 H new ATOM 989 N ARG A 66 6.412 6.910 -8.813 1.00 0.00 N ATOM 990 CA ARG A 66 7.335 6.606 -7.730 1.00 0.00 C ATOM 991 C ARG A 66 7.305 7.704 -6.678 1.00 0.00 C ATOM 992 O ARG A 66 7.434 7.438 -5.488 1.00 0.00 O ATOM 993 CB ARG A 66 8.756 6.415 -8.272 1.00 0.00 C ATOM 994 CG ARG A 66 9.384 5.088 -7.870 1.00 0.00 C ATOM 995 CD ARG A 66 10.720 4.869 -8.565 1.00 0.00 C ATOM 996 NE ARG A 66 11.398 3.662 -8.086 1.00 0.00 N ATOM 997 CZ ARG A 66 11.482 2.524 -8.776 1.00 0.00 C ATOM 998 NH1 ARG A 66 10.941 2.420 -9.983 1.00 0.00 N ATOM 999 NH2 ARG A 66 12.115 1.483 -8.252 1.00 0.00 N ATOM 0 H ARG A 66 6.834 6.941 -9.741 1.00 0.00 H new ATOM 0 HA ARG A 66 7.019 5.674 -7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.734 6.483 -9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.386 7.230 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.527 5.064 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.705 4.273 -8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.561 4.792 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.361 5.735 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 66 11.834 3.694 -7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.454 3.216 -10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.012 1.544 -10.500 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.535 1.555 -7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.182 0.610 -8.776 1.00 0.00 H new ATOM 1013 N SER A 67 7.118 8.933 -7.130 1.00 0.00 N ATOM 1014 CA SER A 67 7.059 10.080 -6.232 1.00 0.00 C ATOM 1015 C SER A 67 6.078 9.851 -5.085 1.00 0.00 C ATOM 1016 O SER A 67 6.404 10.086 -3.922 1.00 0.00 O ATOM 1017 CB SER A 67 6.649 11.323 -7.016 1.00 0.00 C ATOM 1018 OG SER A 67 7.773 12.130 -7.323 1.00 0.00 O ATOM 0 H SER A 67 7.004 9.165 -8.117 1.00 0.00 H new ATOM 0 HA SER A 67 8.051 10.219 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.149 11.026 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.930 11.902 -6.435 1.00 0.00 H new ATOM 0 HG SER A 67 7.482 12.918 -7.827 1.00 0.00 H new ATOM 1024 N LYS A 68 4.870 9.410 -5.418 1.00 0.00 N ATOM 1025 CA LYS A 68 3.836 9.177 -4.411 1.00 0.00 C ATOM 1026 C LYS A 68 4.055 7.867 -3.660 1.00 0.00 C ATOM 1027 O LYS A 68 4.058 7.847 -2.429 1.00 0.00 O ATOM 1028 CB LYS A 68 2.445 9.187 -5.056 1.00 0.00 C ATOM 1029 CG LYS A 68 2.313 10.160 -6.221 1.00 0.00 C ATOM 1030 CD LYS A 68 2.395 11.608 -5.767 1.00 0.00 C ATOM 1031 CE LYS A 68 1.593 12.521 -6.683 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.622 13.361 -5.929 1.00 0.00 N ATOM 0 H LYS A 68 4.581 9.206 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 68 3.902 9.989 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.210 8.182 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.705 9.441 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.101 9.963 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.362 9.992 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.021 11.693 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.437 11.928 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.274 13.166 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.057 11.918 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.170 13.619 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.261 12.827 -5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.096 14.225 -5.596 1.00 0.00 H new ATOM 1046 N VAL A 69 4.240 6.776 -4.393 1.00 0.00 N ATOM 1047 CA VAL A 69 4.460 5.474 -3.773 1.00 0.00 C ATOM 1048 C VAL A 69 5.677 5.496 -2.860 1.00 0.00 C ATOM 1049 O VAL A 69 5.594 5.085 -1.701 1.00 0.00 O ATOM 1050 CB VAL A 69 4.644 4.363 -4.817 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.638 3.000 -4.139 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.562 4.455 -5.881 1.00 0.00 C ATOM 0 H VAL A 69 4.242 6.766 -5.413 1.00 0.00 H new ATOM 0 HA VAL A 69 3.566 5.261 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 69 5.609 4.492 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.769 2.220 -4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.453 2.949 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.688 2.853 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.705 3.662 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.583 4.346 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.622 5.423 -6.378 1.00 0.00 H new ATOM 1062 N ASP A 70 6.809 5.979 -3.375 1.00 0.00 N ATOM 1063 CA ASP A 70 8.032 6.051 -2.576 1.00 0.00 C ATOM 1064 C ASP A 70 7.714 6.661 -1.225 1.00 0.00 C ATOM 1065 O ASP A 70 7.958 6.062 -0.177 1.00 0.00 O ATOM 1066 CB ASP A 70 9.099 6.893 -3.281 1.00 0.00 C ATOM 1067 CG ASP A 70 10.300 6.074 -3.710 1.00 0.00 C ATOM 1068 OD1 ASP A 70 11.085 5.665 -2.830 1.00 0.00 O ATOM 1069 OD2 ASP A 70 10.456 5.845 -4.928 1.00 0.00 O ATOM 0 H ASP A 70 6.904 6.322 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 70 8.422 5.041 -2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.659 7.371 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.427 7.690 -2.613 1.00 0.00 H new ATOM 1074 N GLU A 71 7.148 7.860 -1.266 1.00 0.00 N ATOM 1075 CA GLU A 71 6.764 8.565 -0.059 1.00 0.00 C ATOM 1076 C GLU A 71 5.980 7.639 0.858 1.00 0.00 C ATOM 1077 O GLU A 71 6.266 7.539 2.050 1.00 0.00 O ATOM 1078 CB GLU A 71 5.942 9.793 -0.430 1.00 0.00 C ATOM 1079 CG GLU A 71 6.735 10.836 -1.189 1.00 0.00 C ATOM 1080 CD GLU A 71 7.717 11.584 -0.309 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.581 10.925 0.309 1.00 0.00 O ATOM 1082 OE2 GLU A 71 7.624 12.827 -0.238 1.00 0.00 O ATOM 0 H GLU A 71 6.945 8.364 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 71 7.656 8.892 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.090 9.483 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.541 10.242 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.278 10.353 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.047 11.548 -1.644 1.00 0.00 H new ATOM 1089 N ALA A 72 4.997 6.949 0.291 1.00 0.00 N ATOM 1090 CA ALA A 72 4.176 6.022 1.055 1.00 0.00 C ATOM 1091 C ALA A 72 5.030 5.154 1.963 1.00 0.00 C ATOM 1092 O ALA A 72 4.742 4.991 3.149 1.00 0.00 O ATOM 1093 CB ALA A 72 3.376 5.132 0.116 1.00 0.00 C ATOM 0 H ALA A 72 4.750 7.015 -0.696 1.00 0.00 H new ATOM 0 HA ALA A 72 3.496 6.610 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.766 4.443 0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.730 5.749 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.058 4.565 -0.517 1.00 0.00 H new ATOM 1099 N VAL A 73 6.077 4.598 1.385 1.00 0.00 N ATOM 1100 CA VAL A 73 6.985 3.732 2.118 1.00 0.00 C ATOM 1101 C VAL A 73 7.539 4.432 3.353 1.00 0.00 C ATOM 1102 O VAL A 73 7.585 3.851 4.432 1.00 0.00 O ATOM 1103 CB VAL A 73 8.163 3.262 1.239 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.909 2.118 1.910 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.686 2.855 -0.152 1.00 0.00 C ATOM 0 H VAL A 73 6.322 4.731 0.404 1.00 0.00 H new ATOM 0 HA VAL A 73 6.403 2.862 2.423 1.00 0.00 H new ATOM 0 HB VAL A 73 8.850 4.100 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.736 1.801 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.298 2.452 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.228 1.281 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.538 2.529 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.969 2.038 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.209 3.707 -0.637 1.00 0.00 H new ATOM 1115 N ALA A 74 7.965 5.675 3.189 1.00 0.00 N ATOM 1116 CA ALA A 74 8.520 6.433 4.297 1.00 0.00 C ATOM 1117 C ALA A 74 7.434 6.868 5.282 1.00 0.00 C ATOM 1118 O ALA A 74 7.557 6.645 6.486 1.00 0.00 O ATOM 1119 CB ALA A 74 9.288 7.636 3.778 1.00 0.00 C ATOM 0 H ALA A 74 7.937 6.178 2.302 1.00 0.00 H new ATOM 0 HA ALA A 74 9.208 5.782 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.699 8.196 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.101 7.299 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.616 8.278 3.208 1.00 0.00 H new ATOM 1125 N VAL A 75 6.380 7.501 4.772 1.00 0.00 N ATOM 1126 CA VAL A 75 5.291 7.974 5.622 1.00 0.00 C ATOM 1127 C VAL A 75 4.558 6.838 6.313 1.00 0.00 C ATOM 1128 O VAL A 75 4.555 6.746 7.537 1.00 0.00 O ATOM 1129 CB VAL A 75 4.272 8.815 4.831 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.863 8.152 3.528 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.052 9.163 5.682 1.00 0.00 C ATOM 0 H VAL A 75 6.257 7.697 3.779 1.00 0.00 H new ATOM 0 HA VAL A 75 5.763 8.597 6.381 1.00 0.00 H new ATOM 0 HB VAL A 75 4.773 9.747 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.144 8.785 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.743 8.011 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.409 7.184 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.354 9.757 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.562 8.245 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.368 9.735 6.554 1.00 0.00 H new ATOM 1141 N LEU A 76 3.912 5.997 5.525 1.00 0.00 N ATOM 1142 CA LEU A 76 3.138 4.887 6.087 1.00 0.00 C ATOM 1143 C LEU A 76 3.971 4.119 7.098 1.00 0.00 C ATOM 1144 O LEU A 76 3.473 3.724 8.145 1.00 0.00 O ATOM 1145 CB LEU A 76 2.642 3.929 4.996 1.00 0.00 C ATOM 1146 CG LEU A 76 2.065 2.605 5.512 1.00 0.00 C ATOM 1147 CD1 LEU A 76 0.565 2.724 5.739 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.375 1.473 4.546 1.00 0.00 C ATOM 0 H LEU A 76 3.903 6.053 4.507 1.00 0.00 H new ATOM 0 HA LEU A 76 2.268 5.317 6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.878 4.437 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.470 3.709 4.322 1.00 0.00 H new ATOM 0 HG LEU A 76 2.536 2.376 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.176 1.774 6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.369 3.504 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.074 2.980 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.957 0.542 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.935 1.694 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.455 1.370 4.441 1.00 0.00 H new ATOM 1160 N GLN A 77 5.239 3.927 6.778 1.00 0.00 N ATOM 1161 CA GLN A 77 6.136 3.220 7.676 1.00 0.00 C ATOM 1162 C GLN A 77 6.214 3.952 9.017 1.00 0.00 C ATOM 1163 O GLN A 77 6.250 3.331 10.078 1.00 0.00 O ATOM 1164 CB GLN A 77 7.529 3.087 7.063 1.00 0.00 C ATOM 1165 CG GLN A 77 8.410 2.069 7.766 1.00 0.00 C ATOM 1166 CD GLN A 77 9.884 2.394 7.643 1.00 0.00 C ATOM 1167 OE1 GLN A 77 10.307 3.521 7.903 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.675 1.407 7.243 1.00 0.00 N ATOM 0 H GLN A 77 5.668 4.248 5.910 1.00 0.00 H new ATOM 0 HA GLN A 77 5.741 2.217 7.839 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.430 2.806 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.021 4.059 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 77 8.138 2.025 8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.223 1.080 7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.281 0.489 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.677 1.566 7.140 1.00 0.00 H new ATOM 1177 N ALA A 78 6.230 5.286 8.948 1.00 0.00 N ATOM 1178 CA ALA A 78 6.293 6.127 10.142 1.00 0.00 C ATOM 1179 C ALA A 78 4.914 6.303 10.779 1.00 0.00 C ATOM 1180 O ALA A 78 4.726 6.016 11.961 1.00 0.00 O ATOM 1181 CB ALA A 78 6.891 7.483 9.805 1.00 0.00 C ATOM 0 H ALA A 78 6.200 5.807 8.072 1.00 0.00 H new ATOM 0 HA ALA A 78 6.935 5.624 10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.931 8.097 10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.899 7.349 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.273 7.977 9.056 1.00 0.00 H new ATOM 1187 N HIS A 79 3.953 6.782 9.987 1.00 0.00 N ATOM 1188 CA HIS A 79 2.594 7.002 10.474 1.00 0.00 C ATOM 1189 C HIS A 79 1.905 5.682 10.831 1.00 0.00 C ATOM 1190 O HIS A 79 0.776 5.680 11.324 1.00 0.00 O ATOM 1191 CB HIS A 79 1.772 7.771 9.427 1.00 0.00 C ATOM 1192 CG HIS A 79 1.615 9.228 9.742 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.555 9.733 10.464 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.389 10.295 9.422 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.679 11.044 10.574 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.784 11.409 9.951 1.00 0.00 N ATOM 0 H HIS A 79 4.093 7.024 9.006 1.00 0.00 H new ATOM 0 HA HIS A 79 2.657 7.599 11.384 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.251 7.668 8.453 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.785 7.316 9.347 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.309 10.273 8.857 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.006 11.704 11.086 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.133 12.365 9.875 1.00 0.00 H new ATOM 1536 N LYS B 5 4.977 12.944 4.092 1.00 0.00 N ATOM 1537 CA LYS B 5 5.180 12.602 2.698 1.00 0.00 C ATOM 1538 C LYS B 5 4.093 13.214 1.817 1.00 0.00 C ATOM 1539 O LYS B 5 3.197 13.897 2.313 1.00 0.00 O ATOM 1540 CB LYS B 5 5.209 11.087 2.558 1.00 0.00 C ATOM 1541 CG LYS B 5 6.577 10.482 2.843 1.00 0.00 C ATOM 1542 CD LYS B 5 7.019 10.730 4.280 1.00 0.00 C ATOM 1543 CE LYS B 5 8.526 10.913 4.389 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.004 12.116 3.653 1.00 0.00 N ATOM 0 HA LYS B 5 6.133 13.013 2.363 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.478 10.652 3.239 1.00 0.00 H new ATOM 0 HB3 LYS B 5 4.903 10.816 1.547 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.546 9.409 2.652 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.312 10.907 2.159 1.00 0.00 H new ATOM 0 HD2 LYS B 5 6.517 11.617 4.666 1.00 0.00 H new ATOM 0 HD3 LYS B 5 6.709 9.892 4.904 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.804 10.998 5.439 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.027 10.027 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 9.879 12.467 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.191 11.865 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 8.276 12.858 3.690 1.00 0.00 H new ATOM 1558 N LEU B 6 4.172 12.970 0.509 1.00 0.00 N ATOM 1559 CA LEU B 6 3.183 13.513 -0.418 1.00 0.00 C ATOM 1560 C LEU B 6 1.828 12.867 -0.173 1.00 0.00 C ATOM 1561 O LEU B 6 0.785 13.505 -0.321 1.00 0.00 O ATOM 1562 CB LEU B 6 3.607 13.282 -1.873 1.00 0.00 C ATOM 1563 CG LEU B 6 5.034 13.705 -2.225 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.488 13.011 -3.501 1.00 0.00 C ATOM 1565 CD2 LEU B 6 5.125 15.214 -2.382 1.00 0.00 C ATOM 0 H LEU B 6 4.902 12.407 0.073 1.00 0.00 H new ATOM 0 HA LEU B 6 3.112 14.587 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.496 12.222 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.918 13.821 -2.523 1.00 0.00 H new ATOM 0 HG LEU B 6 5.693 13.407 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.505 13.320 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.462 11.931 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.823 13.284 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU B 6 6.149 15.493 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.456 15.538 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.836 15.695 -1.448 1.00 0.00 H new ATOM 1577 N SER B 7 1.852 11.596 0.206 1.00 0.00 N ATOM 1578 CA SER B 7 0.628 10.855 0.480 1.00 0.00 C ATOM 1579 C SER B 7 0.514 10.505 1.963 1.00 0.00 C ATOM 1580 O SER B 7 1.182 9.596 2.452 1.00 0.00 O ATOM 1581 CB SER B 7 0.590 9.583 -0.361 1.00 0.00 C ATOM 1582 OG SER B 7 -0.213 9.758 -1.516 1.00 0.00 O ATOM 0 H SER B 7 2.708 11.056 0.331 1.00 0.00 H new ATOM 0 HA SER B 7 -0.219 11.489 0.216 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.603 9.309 -0.657 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.198 8.760 0.237 1.00 0.00 H new ATOM 0 HG SER B 7 0.299 10.236 -2.201 1.00 0.00 H new ATOM 1588 N VAL B 8 -0.340 11.237 2.670 1.00 0.00 N ATOM 1589 CA VAL B 8 -0.556 11.017 4.099 1.00 0.00 C ATOM 1590 C VAL B 8 -1.178 9.644 4.363 1.00 0.00 C ATOM 1591 O VAL B 8 -1.732 9.025 3.454 1.00 0.00 O ATOM 1592 CB VAL B 8 -1.478 12.110 4.682 1.00 0.00 C ATOM 1593 CG1 VAL B 8 -2.906 11.933 4.182 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.431 12.105 6.201 1.00 0.00 C ATOM 0 H VAL B 8 -0.899 11.994 2.275 1.00 0.00 H new ATOM 0 HA VAL B 8 0.418 11.061 4.586 1.00 0.00 H new ATOM 0 HB VAL B 8 -1.116 13.079 4.338 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.539 12.713 4.605 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.922 12.002 3.094 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -3.280 10.956 4.489 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.088 12.884 6.588 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.760 11.134 6.572 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -0.410 12.293 6.534 1.00 0.00 H new ATOM 1604 N ASN B 9 -1.081 9.166 5.605 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.631 7.867 5.963 1.00 0.00 C ATOM 1606 C ASN B 9 -3.154 7.893 6.070 1.00 0.00 C ATOM 1607 O ASN B 9 -3.715 7.582 7.121 1.00 0.00 O ATOM 1608 CB ASN B 9 -1.020 7.368 7.276 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.405 5.931 7.575 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -2.435 5.445 7.110 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -0.578 5.243 8.353 1.00 0.00 N ATOM 0 H ASN B 9 -0.628 9.660 6.374 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.371 7.178 5.159 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.066 7.449 7.224 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.348 8.009 8.095 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -0.786 4.272 8.586 1.00 0.00 H new ATOM 0 HD22 ASN B 9 0.266 5.685 8.717 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.826 8.257 4.978 1.00 0.00 N ATOM 1619 CA ALA B 10 -5.284 8.315 4.955 1.00 0.00 C ATOM 1620 C ALA B 10 -5.897 6.991 5.402 1.00 0.00 C ATOM 1621 O ALA B 10 -5.173 6.049 5.729 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.749 8.665 3.550 1.00 0.00 C ATOM 0 H ALA B 10 -3.381 8.516 4.097 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.615 9.084 5.653 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.838 8.710 3.528 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -5.340 9.634 3.262 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -5.403 7.903 2.852 1.00 0.00 H new ATOM 1628 N PRO B 11 -7.245 6.901 5.432 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.949 5.680 5.845 1.00 0.00 C ATOM 1630 C PRO B 11 -7.437 4.431 5.125 1.00 0.00 C ATOM 1631 O PRO B 11 -6.296 4.390 4.673 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.401 5.971 5.463 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.513 7.453 5.548 1.00 0.00 C ATOM 1634 CD PRO B 11 -8.187 7.984 5.080 1.00 0.00 C ATOM 0 HA PRO B 11 -7.806 5.463 6.904 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.628 5.612 4.459 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.097 5.480 6.143 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -10.326 7.822 4.923 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.726 7.773 6.568 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -8.189 8.183 4.008 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.930 8.919 5.578 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.292 3.423 4.992 1.00 0.00 N ATOM 1643 CA GLU B 12 -7.927 2.194 4.295 1.00 0.00 C ATOM 1644 C GLU B 12 -8.089 2.344 2.780 1.00 0.00 C ATOM 1645 O GLU B 12 -8.310 3.442 2.269 1.00 0.00 O ATOM 1646 CB GLU B 12 -8.779 1.031 4.808 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.064 0.166 5.831 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.577 0.958 7.028 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -8.386 1.710 7.611 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.386 0.828 7.382 1.00 0.00 O ATOM 0 H GLU B 12 -9.244 3.432 5.358 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.876 1.987 4.498 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.692 1.427 5.253 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.079 0.410 3.964 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.738 -0.620 6.171 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.215 -0.325 5.356 1.00 0.00 H new ATOM 1657 N PHE B 13 -7.992 1.217 2.076 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.145 1.203 0.623 1.00 0.00 C ATOM 1659 C PHE B 13 -9.523 0.655 0.243 1.00 0.00 C ATOM 1660 O PHE B 13 -9.823 -0.516 0.469 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.026 0.388 -0.042 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.139 -1.101 0.121 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.897 -1.712 1.344 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.472 -1.895 -0.964 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.992 -3.084 1.477 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.564 -3.265 -0.833 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.327 -3.857 0.383 1.00 0.00 C ATOM 0 H PHE B 13 -7.808 0.302 2.489 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.067 2.227 0.258 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.011 0.621 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.069 0.711 0.368 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.632 -1.109 2.200 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.662 -1.436 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.805 -3.550 2.433 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.823 -3.873 -1.688 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.403 -4.930 0.484 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.343 1.518 -0.359 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.684 1.146 -0.809 1.00 0.00 C ATOM 1679 C TYR B 14 -11.814 1.305 -2.333 1.00 0.00 C ATOM 1680 O TYR B 14 -10.896 1.804 -2.984 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.737 1.980 -0.070 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.471 1.195 1.001 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.788 0.673 2.093 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.841 0.960 0.915 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.445 -0.058 3.065 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.505 0.231 1.885 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.802 -0.277 2.956 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.456 -1.008 3.922 1.00 0.00 O ATOM 0 H TYR B 14 -10.097 2.490 -0.547 1.00 0.00 H new ATOM 0 HA TYR B 14 -11.854 0.095 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.253 2.843 0.387 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.459 2.364 -0.790 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.725 0.841 2.184 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.395 1.354 0.076 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.898 -0.456 3.907 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.568 0.061 1.804 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.408 -1.069 3.697 1.00 0.00 H new ATOM 1698 N PRO B 15 -12.955 0.892 -2.925 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.185 1.004 -4.376 1.00 0.00 C ATOM 1700 C PRO B 15 -13.227 2.446 -4.874 1.00 0.00 C ATOM 1701 O PRO B 15 -14.266 3.111 -4.836 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.549 0.358 -4.582 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.209 0.429 -3.251 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.107 0.280 -2.245 1.00 0.00 C ATOM 0 HA PRO B 15 -12.373 0.533 -4.930 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.127 0.888 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.451 -0.674 -4.920 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.731 1.377 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -15.951 -0.361 -3.139 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.342 0.790 -1.310 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -13.922 -0.766 -2.000 1.00 0.00 H new ATOM 1712 N SER B 16 -12.091 2.914 -5.357 1.00 0.00 N ATOM 1713 CA SER B 16 -11.967 4.266 -5.879 1.00 0.00 C ATOM 1714 C SER B 16 -13.059 4.569 -6.894 1.00 0.00 C ATOM 1715 O SER B 16 -13.936 5.398 -6.655 1.00 0.00 O ATOM 1716 CB SER B 16 -10.599 4.413 -6.520 1.00 0.00 C ATOM 1717 OG SER B 16 -10.520 3.685 -7.733 1.00 0.00 O ATOM 0 H SER B 16 -11.229 2.370 -5.399 1.00 0.00 H new ATOM 0 HA SER B 16 -12.077 4.976 -5.060 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.396 5.467 -6.711 1.00 0.00 H new ATOM 0 HB3 SER B 16 -9.832 4.060 -5.831 1.00 0.00 H new ATOM 0 HG SER B 16 -11.000 4.169 -8.437 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.001 3.883 -8.025 1.00 0.00 N ATOM 1724 CA GLY B 17 -13.991 4.078 -9.062 1.00 0.00 C ATOM 1725 C GLY B 17 -15.253 3.282 -8.797 1.00 0.00 C ATOM 1726 O GLY B 17 -15.686 2.494 -9.639 1.00 0.00 O ATOM 0 H GLY B 17 -12.283 3.192 -8.243 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.238 5.137 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.572 3.784 -10.024 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.854 3.499 -7.629 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.085 2.811 -7.264 1.00 0.00 C ATOM 1732 C TYR B 18 -18.251 3.337 -8.094 1.00 0.00 C ATOM 1733 O TYR B 18 -18.324 4.532 -8.385 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.375 3.011 -5.773 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.018 1.815 -5.103 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.471 0.546 -5.230 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.168 1.962 -4.337 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.055 -0.548 -4.612 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -19.756 0.877 -3.717 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.198 -0.376 -3.857 1.00 0.00 C ATOM 1741 OH TYR B 18 -19.785 -1.459 -3.238 1.00 0.00 O ATOM 0 H TYR B 18 -15.507 4.146 -6.921 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.963 1.747 -7.464 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.442 3.243 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.028 3.876 -5.653 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.576 0.409 -5.819 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -19.609 2.941 -4.225 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.618 -1.530 -4.720 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.649 1.010 -3.125 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.580 -1.164 -2.747 1.00 0.00 H new