USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 674 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 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 69:sc= 0.527 USER MOD Single : A 9 MET CE :methyl -109:sc= -0.0848 (180deg=-2.88!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.56! C(o=-2.6!,f=-2.3!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.7 K(o=0.7,f=-0.24) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -121:sc= 0.118 (180deg=-0.0164) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0871 K(o=-0.087,f=-6.7!) USER MOD Single : A 35 THR OG1 : rot -136:sc= 0.0544 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.646 K(o=-0.65,f=-4.3!) USER MOD Single : A 47 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.015) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -109:sc= 0 (180deg=-1.34) USER MOD Single : A 62 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.18) USER MOD Single : A 63 TYR OH : rot 70:sc= -0.896 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 172:sc= -1.07 (180deg=-1.35) USER MOD Single : A 82 TYR OH : rot 89:sc= -0.282 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.0075) USER MOD ----------------------------------------------------------------- ATOM 68 N ASP A 8 3.037 8.309 1.838 1.00 0.00 N ATOM 69 CA ASP A 8 1.695 8.875 1.905 1.00 0.00 C ATOM 70 C ASP A 8 0.658 7.785 2.158 1.00 0.00 C ATOM 71 O ASP A 8 -0.319 7.656 1.418 1.00 0.00 O ATOM 72 CB ASP A 8 1.368 9.619 0.608 1.00 0.00 C ATOM 73 CG ASP A 8 1.822 11.065 0.642 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.745 11.688 1.722 1.00 0.00 O ATOM 75 OD2 ASP A 8 2.255 11.576 -0.414 1.00 0.00 O ATOM 0 HA ASP A 8 1.664 9.579 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.845 9.111 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.293 9.582 0.432 1.00 0.00 H new ATOM 80 N MET A 9 0.878 7.001 3.208 1.00 0.00 N ATOM 81 CA MET A 9 -0.036 5.921 3.560 1.00 0.00 C ATOM 82 C MET A 9 -0.986 6.346 4.677 1.00 0.00 C ATOM 83 O MET A 9 -2.076 5.791 4.822 1.00 0.00 O ATOM 84 CB MET A 9 0.751 4.680 3.988 1.00 0.00 C ATOM 85 CG MET A 9 0.993 3.694 2.857 1.00 0.00 C ATOM 86 SD MET A 9 -0.256 2.394 2.789 1.00 0.00 S ATOM 87 CE MET A 9 0.044 1.723 1.156 1.00 0.00 C ATOM 0 H MET A 9 1.681 7.093 3.830 1.00 0.00 H new ATOM 0 HA MET A 9 -0.630 5.682 2.678 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.711 4.992 4.398 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.211 4.176 4.789 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.005 4.231 1.908 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.977 3.241 2.979 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.778 1.996 0.494 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.977 2.127 0.762 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.116 0.637 1.216 1.00 0.00 H new ATOM 97 N LYS A 10 -0.568 7.333 5.465 1.00 0.00 N ATOM 98 CA LYS A 10 -1.383 7.831 6.567 1.00 0.00 C ATOM 99 C LYS A 10 -2.762 8.265 6.077 1.00 0.00 C ATOM 100 O LYS A 10 -3.747 8.181 6.811 1.00 0.00 O ATOM 101 CB LYS A 10 -0.682 9.003 7.257 1.00 0.00 C ATOM 102 CG LYS A 10 0.311 8.575 8.325 1.00 0.00 C ATOM 103 CD LYS A 10 0.895 9.775 9.053 1.00 0.00 C ATOM 104 CE LYS A 10 1.968 10.463 8.224 1.00 0.00 C ATOM 105 NZ LYS A 10 3.335 10.006 8.596 1.00 0.00 N ATOM 0 H LYS A 10 0.331 7.803 5.360 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.513 7.020 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.161 9.597 6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.434 9.649 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.183 7.918 9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.115 7.999 7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.100 10.485 9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.319 9.453 10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.794 10.263 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.896 11.542 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.038 10.498 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.512 10.219 9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.412 8.980 8.442 1.00 0.00 H new ATOM 119 N GLN A 11 -2.824 8.728 4.833 1.00 0.00 N ATOM 120 CA GLN A 11 -4.082 9.175 4.246 1.00 0.00 C ATOM 121 C GLN A 11 -5.084 8.027 4.166 1.00 0.00 C ATOM 122 O GLN A 11 -6.293 8.240 4.247 1.00 0.00 O ATOM 123 CB GLN A 11 -3.841 9.756 2.852 1.00 0.00 C ATOM 124 CG GLN A 11 -3.205 8.773 1.883 1.00 0.00 C ATOM 125 CD GLN A 11 -3.629 9.013 0.447 1.00 0.00 C ATOM 126 OE1 GLN A 11 -2.969 9.741 -0.293 1.00 0.00 O ATOM 127 NE2 GLN A 11 -4.736 8.399 0.046 1.00 0.00 N ATOM 0 H GLN A 11 -2.018 8.803 4.212 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.498 9.952 4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.791 10.096 2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.200 10.633 2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.120 8.848 1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.474 7.757 2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.252 7.804 0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.070 8.522 -0.910 1.00 0.00 H new ATOM 136 N LEU A 12 -4.572 6.811 4.007 1.00 0.00 N ATOM 137 CA LEU A 12 -5.422 5.630 3.915 1.00 0.00 C ATOM 138 C LEU A 12 -6.048 5.305 5.268 1.00 0.00 C ATOM 139 O LEU A 12 -5.345 5.139 6.265 1.00 0.00 O ATOM 140 CB LEU A 12 -4.614 4.432 3.409 1.00 0.00 C ATOM 141 CG LEU A 12 -4.738 4.155 1.910 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.470 3.501 1.382 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.949 3.279 1.629 1.00 0.00 C ATOM 0 H LEU A 12 -3.573 6.618 3.939 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.223 5.842 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.563 4.595 3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.930 3.543 3.955 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.874 5.105 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.576 3.311 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.621 4.164 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.303 2.558 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.022 3.092 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.843 2.331 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.852 3.785 1.971 1.00 0.00 H new ATOM 155 N ALA A 13 -7.374 5.213 5.295 1.00 0.00 N ATOM 156 CA ALA A 13 -8.094 4.907 6.523 1.00 0.00 C ATOM 157 C ALA A 13 -7.736 3.517 7.038 1.00 0.00 C ATOM 158 O ALA A 13 -7.288 2.659 6.277 1.00 0.00 O ATOM 159 CB ALA A 13 -9.594 5.018 6.298 1.00 0.00 C ATOM 0 H ALA A 13 -7.971 5.346 4.479 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.797 5.634 7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.119 4.786 7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.841 6.032 5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.899 4.315 5.523 1.00 0.00 H new ATOM 165 N GLU A 14 -7.937 3.301 8.333 1.00 0.00 N ATOM 166 CA GLU A 14 -7.634 2.014 8.949 1.00 0.00 C ATOM 167 C GLU A 14 -8.540 0.919 8.395 1.00 0.00 C ATOM 168 O GLU A 14 -8.094 -0.201 8.143 1.00 0.00 O ATOM 169 CB GLU A 14 -7.793 2.104 10.469 1.00 0.00 C ATOM 170 CG GLU A 14 -6.747 1.313 11.237 1.00 0.00 C ATOM 171 CD GLU A 14 -6.108 2.119 12.352 1.00 0.00 C ATOM 172 OE1 GLU A 14 -5.094 2.798 12.086 1.00 0.00 O ATOM 173 OE2 GLU A 14 -6.621 2.069 13.489 1.00 0.00 O ATOM 0 H GLU A 14 -8.308 4.000 8.977 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.601 1.759 8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.739 3.150 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.784 1.743 10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.209 0.420 11.658 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.973 0.976 10.547 1.00 0.00 H new ATOM 180 N ASP A 15 -9.813 1.250 8.206 1.00 0.00 N ATOM 181 CA ASP A 15 -10.782 0.294 7.682 1.00 0.00 C ATOM 182 C ASP A 15 -10.398 -0.152 6.274 1.00 0.00 C ATOM 183 O ASP A 15 -10.667 -1.285 5.876 1.00 0.00 O ATOM 184 CB ASP A 15 -12.184 0.910 7.673 1.00 0.00 C ATOM 185 CG ASP A 15 -13.097 0.282 8.707 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.577 -0.310 9.677 1.00 0.00 O ATOM 187 OD2 ASP A 15 -14.332 0.383 8.548 1.00 0.00 O ATOM 0 H ASP A 15 -10.198 2.173 8.408 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.783 -0.581 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.109 1.981 7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.624 0.791 6.683 1.00 0.00 H new ATOM 192 N VAL A 16 -9.766 0.746 5.525 1.00 0.00 N ATOM 193 CA VAL A 16 -9.345 0.445 4.162 1.00 0.00 C ATOM 194 C VAL A 16 -8.247 -0.614 4.148 1.00 0.00 C ATOM 195 O VAL A 16 -8.326 -1.593 3.407 1.00 0.00 O ATOM 196 CB VAL A 16 -8.836 1.708 3.440 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.531 1.405 1.980 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.849 2.837 3.556 1.00 0.00 C ATOM 0 H VAL A 16 -9.534 1.688 5.839 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.220 0.064 3.636 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.912 2.029 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.173 2.309 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.765 0.632 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.437 1.056 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.471 3.720 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.791 2.528 3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.011 3.073 4.608 1.00 0.00 H new ATOM 208 N LYS A 17 -7.226 -0.410 4.972 1.00 0.00 N ATOM 209 CA LYS A 17 -6.111 -1.349 5.055 1.00 0.00 C ATOM 210 C LYS A 17 -6.552 -2.664 5.689 1.00 0.00 C ATOM 211 O LYS A 17 -6.012 -3.726 5.377 1.00 0.00 O ATOM 212 CB LYS A 17 -4.964 -0.739 5.863 1.00 0.00 C ATOM 213 CG LYS A 17 -4.339 0.482 5.206 1.00 0.00 C ATOM 214 CD LYS A 17 -4.248 1.655 6.172 1.00 0.00 C ATOM 215 CE LYS A 17 -2.868 2.294 6.148 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.055 1.903 7.333 1.00 0.00 N ATOM 0 H LYS A 17 -7.146 0.396 5.592 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.765 -1.554 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.334 -0.461 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.193 -1.495 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.342 0.230 4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.930 0.771 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.999 2.401 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.474 1.314 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.347 1.999 5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.971 3.379 6.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.122 2.359 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.539 2.207 8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.935 0.870 7.346 1.00 0.00 H new ATOM 230 N LEU A 18 -7.535 -2.586 6.580 1.00 0.00 N ATOM 231 CA LEU A 18 -8.047 -3.771 7.259 1.00 0.00 C ATOM 232 C LEU A 18 -8.590 -4.784 6.256 1.00 0.00 C ATOM 233 O LEU A 18 -8.343 -5.984 6.375 1.00 0.00 O ATOM 234 CB LEU A 18 -9.145 -3.381 8.251 1.00 0.00 C ATOM 235 CG LEU A 18 -8.645 -2.926 9.624 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.687 -2.056 10.310 1.00 0.00 C ATOM 237 CD2 LEU A 18 -8.298 -4.128 10.489 1.00 0.00 C ATOM 0 H LEU A 18 -7.993 -1.715 6.849 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.221 -4.232 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.740 -2.579 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.810 -4.234 8.388 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.742 -2.332 9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.314 -1.742 11.285 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.887 -1.177 9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.608 -2.625 10.440 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.944 -3.786 11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.184 -4.748 10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.516 -4.712 10.003 1.00 0.00 H new ATOM 249 N GLN A 19 -9.332 -4.293 5.269 1.00 0.00 N ATOM 250 CA GLN A 19 -9.911 -5.156 4.245 1.00 0.00 C ATOM 251 C GLN A 19 -8.822 -5.786 3.382 1.00 0.00 C ATOM 252 O GLN A 19 -8.968 -6.911 2.906 1.00 0.00 O ATOM 253 CB GLN A 19 -10.878 -4.361 3.366 1.00 0.00 C ATOM 254 CG GLN A 19 -11.987 -3.675 4.148 1.00 0.00 C ATOM 255 CD GLN A 19 -12.664 -2.574 3.356 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.134 -2.795 2.240 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.715 -1.378 3.931 1.00 0.00 N ATOM 0 H GLN A 19 -9.547 -3.302 5.156 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.458 -5.954 4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.317 -3.609 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.324 -5.032 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.731 -4.416 4.442 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.574 -3.256 5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.312 -1.240 4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.157 -0.597 3.446 1.00 0.00 H new ATOM 266 N LEU A 20 -7.731 -5.052 3.185 1.00 0.00 N ATOM 267 CA LEU A 20 -6.619 -5.539 2.378 1.00 0.00 C ATOM 268 C LEU A 20 -6.037 -6.820 2.968 1.00 0.00 C ATOM 269 O LEU A 20 -5.668 -7.740 2.237 1.00 0.00 O ATOM 270 CB LEU A 20 -5.530 -4.470 2.277 1.00 0.00 C ATOM 271 CG LEU A 20 -5.881 -3.270 1.397 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.936 -2.110 1.674 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.837 -3.656 -0.073 1.00 0.00 C ATOM 0 H LEU A 20 -7.594 -4.119 3.573 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.997 -5.760 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.301 -4.111 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.623 -4.933 1.889 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.895 -2.951 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.201 -1.265 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.017 -1.817 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.912 -2.416 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.089 -2.790 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.835 -4.001 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.555 -4.454 -0.261 1.00 0.00 H new ATOM 285 N TYR A 21 -5.956 -6.872 4.292 1.00 0.00 N ATOM 286 CA TYR A 21 -5.417 -8.040 4.981 1.00 0.00 C ATOM 287 C TYR A 21 -6.255 -9.281 4.689 1.00 0.00 C ATOM 288 O TYR A 21 -5.742 -10.399 4.676 1.00 0.00 O ATOM 289 CB TYR A 21 -5.363 -7.790 6.489 1.00 0.00 C ATOM 290 CG TYR A 21 -4.612 -6.533 6.868 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.368 -6.250 6.317 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.148 -5.628 7.776 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.680 -5.103 6.660 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.466 -4.478 8.124 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.232 -4.220 7.564 1.00 0.00 C ATOM 296 OH TYR A 21 -2.550 -3.076 7.908 1.00 0.00 O ATOM 0 H TYR A 21 -6.257 -6.119 4.911 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.406 -8.212 4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.380 -7.726 6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.892 -8.645 6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.932 -6.939 5.609 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.114 -5.827 8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.714 -4.898 6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.897 -3.784 8.831 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.078 -2.562 8.555 1.00 0.00 H new ATOM 306 N LYS A 22 -7.548 -9.076 4.458 1.00 0.00 N ATOM 307 CA LYS A 22 -8.457 -10.179 4.169 1.00 0.00 C ATOM 308 C LYS A 22 -8.260 -10.690 2.745 1.00 0.00 C ATOM 309 O LYS A 22 -8.456 -11.873 2.467 1.00 0.00 O ATOM 310 CB LYS A 22 -9.908 -9.738 4.369 1.00 0.00 C ATOM 311 CG LYS A 22 -10.347 -9.730 5.823 1.00 0.00 C ATOM 312 CD LYS A 22 -10.037 -8.401 6.492 1.00 0.00 C ATOM 313 CE LYS A 22 -11.143 -7.988 7.449 1.00 0.00 C ATOM 314 NZ LYS A 22 -10.813 -6.726 8.167 1.00 0.00 N ATOM 0 H LYS A 22 -7.989 -8.157 4.465 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.233 -10.991 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.035 -8.738 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.562 -10.403 3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.417 -9.927 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.845 -10.535 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.095 -8.477 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.906 -7.631 5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.073 -7.858 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.312 -8.784 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.812 -6.900 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.873 -6.394 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.523 -6.001 7.939 1.00 0.00 H new ATOM 328 N LEU A 23 -7.874 -9.790 1.846 1.00 0.00 N ATOM 329 CA LEU A 23 -7.654 -10.150 0.450 1.00 0.00 C ATOM 330 C LEU A 23 -6.332 -10.893 0.280 1.00 0.00 C ATOM 331 O LEU A 23 -6.298 -12.010 -0.233 1.00 0.00 O ATOM 332 CB LEU A 23 -7.665 -8.897 -0.428 1.00 0.00 C ATOM 333 CG LEU A 23 -9.045 -8.274 -0.648 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.944 -6.757 -0.708 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.678 -8.819 -1.920 1.00 0.00 C ATOM 0 H LEU A 23 -7.707 -8.807 2.059 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.463 -10.811 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.013 -8.149 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.237 -9.148 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.682 -8.541 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.935 -6.332 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.533 -6.382 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.291 -6.468 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.659 -8.365 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.042 -8.582 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.787 -9.900 -1.838 1.00 0.00 H new ATOM 347 N LEU A 24 -5.245 -10.263 0.714 1.00 0.00 N ATOM 348 CA LEU A 24 -3.920 -10.863 0.610 1.00 0.00 C ATOM 349 C LEU A 24 -3.863 -12.203 1.339 1.00 0.00 C ATOM 350 O LEU A 24 -3.046 -13.065 1.011 1.00 0.00 O ATOM 351 CB LEU A 24 -2.862 -9.916 1.180 1.00 0.00 C ATOM 352 CG LEU A 24 -2.852 -8.514 0.568 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.010 -7.569 1.411 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.334 -8.560 -0.861 1.00 0.00 C ATOM 0 H LEU A 24 -5.256 -9.337 1.141 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.714 -11.038 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.018 -9.826 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.879 -10.365 1.037 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.875 -8.139 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.015 -6.577 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.424 -7.512 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.986 -7.940 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.334 -7.554 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.318 -8.956 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.978 -9.203 -1.461 1.00 0.00 H new ATOM 366 N GLU A 25 -4.736 -12.374 2.328 1.00 0.00 N ATOM 367 CA GLU A 25 -4.782 -13.610 3.103 1.00 0.00 C ATOM 368 C GLU A 25 -5.000 -14.820 2.197 1.00 0.00 C ATOM 369 O GLU A 25 -4.612 -15.938 2.538 1.00 0.00 O ATOM 370 CB GLU A 25 -5.894 -13.534 4.153 1.00 0.00 C ATOM 371 CG GLU A 25 -5.438 -13.925 5.549 1.00 0.00 C ATOM 372 CD GLU A 25 -6.582 -14.410 6.420 1.00 0.00 C ATOM 373 OE1 GLU A 25 -7.657 -13.777 6.394 1.00 0.00 O ATOM 374 OE2 GLU A 25 -6.401 -15.424 7.127 1.00 0.00 O ATOM 0 H GLU A 25 -5.420 -11.673 2.611 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.822 -13.729 3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.289 -12.518 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.713 -14.187 3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.684 -14.709 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.961 -13.068 6.025 1.00 0.00 H new ATOM 381 N ILE A 26 -5.623 -14.591 1.045 1.00 0.00 N ATOM 382 CA ILE A 26 -5.889 -15.666 0.096 1.00 0.00 C ATOM 383 C ILE A 26 -4.589 -16.329 -0.361 1.00 0.00 C ATOM 384 O ILE A 26 -3.744 -15.686 -0.984 1.00 0.00 O ATOM 385 CB ILE A 26 -6.653 -15.147 -1.140 1.00 0.00 C ATOM 386 CG1 ILE A 26 -7.924 -14.411 -0.710 1.00 0.00 C ATOM 387 CG2 ILE A 26 -6.994 -16.296 -2.077 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.331 -13.304 -1.658 1.00 0.00 C ATOM 0 H ILE A 26 -5.952 -13.673 0.747 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.506 -16.401 0.612 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.011 -14.447 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.740 -15.129 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.772 -13.990 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.533 -15.912 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.075 -16.781 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.619 -17.020 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.239 -12.826 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.532 -12.565 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.516 -13.722 -2.648 1.00 0.00 H new ATOM 400 N PRO A 27 -4.409 -17.629 -0.060 1.00 0.00 N ATOM 401 CA PRO A 27 -3.203 -18.367 -0.446 1.00 0.00 C ATOM 402 C PRO A 27 -3.169 -18.684 -1.937 1.00 0.00 C ATOM 403 O PRO A 27 -3.197 -19.848 -2.337 1.00 0.00 O ATOM 404 CB PRO A 27 -3.302 -19.654 0.373 1.00 0.00 C ATOM 405 CG PRO A 27 -4.763 -19.856 0.579 1.00 0.00 C ATOM 406 CD PRO A 27 -5.362 -18.479 0.681 1.00 0.00 C ATOM 0 HA PRO A 27 -2.295 -17.794 -0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.856 -20.496 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.777 -19.561 1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.201 -20.411 -0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.953 -20.432 1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.358 -18.442 0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.460 -18.160 1.719 1.00 0.00 H new ATOM 414 N ASP A 28 -3.108 -17.640 -2.758 1.00 0.00 N ATOM 415 CA ASP A 28 -3.069 -17.807 -4.206 1.00 0.00 C ATOM 416 C ASP A 28 -1.723 -17.359 -4.771 1.00 0.00 C ATOM 417 O ASP A 28 -0.986 -16.616 -4.122 1.00 0.00 O ATOM 418 CB ASP A 28 -4.201 -17.013 -4.862 1.00 0.00 C ATOM 419 CG ASP A 28 -5.424 -17.867 -5.132 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.254 -19.058 -5.467 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.553 -17.345 -5.010 1.00 0.00 O ATOM 0 H ASP A 28 -3.085 -16.670 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.200 -18.866 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.478 -16.180 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.846 -16.585 -5.799 1.00 0.00 H new ATOM 426 N PRO A 29 -1.384 -17.806 -5.992 1.00 0.00 N ATOM 427 CA PRO A 29 -0.119 -17.447 -6.641 1.00 0.00 C ATOM 428 C PRO A 29 -0.069 -15.975 -7.036 1.00 0.00 C ATOM 429 O PRO A 29 0.989 -15.348 -6.998 1.00 0.00 O ATOM 430 CB PRO A 29 -0.091 -18.336 -7.886 1.00 0.00 C ATOM 431 CG PRO A 29 -1.521 -18.637 -8.171 1.00 0.00 C ATOM 432 CD PRO A 29 -2.206 -18.695 -6.834 1.00 0.00 C ATOM 0 HA PRO A 29 0.734 -17.594 -5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.381 -17.826 -8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.477 -19.249 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.963 -17.867 -8.803 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.622 -19.583 -8.703 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.238 -18.350 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.233 -19.711 -6.440 1.00 0.00 H new ATOM 440 N ASP A 30 -1.219 -15.430 -7.416 1.00 0.00 N ATOM 441 CA ASP A 30 -1.307 -14.031 -7.819 1.00 0.00 C ATOM 442 C ASP A 30 -2.335 -13.286 -6.976 1.00 0.00 C ATOM 443 O ASP A 30 -3.003 -12.371 -7.458 1.00 0.00 O ATOM 444 CB ASP A 30 -1.673 -13.927 -9.302 1.00 0.00 C ATOM 445 CG ASP A 30 -0.720 -14.705 -10.188 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.931 -15.924 -10.361 1.00 0.00 O ATOM 447 OD2 ASP A 30 0.236 -14.095 -10.710 1.00 0.00 O ATOM 0 H ASP A 30 -2.104 -15.936 -7.454 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.332 -13.571 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.687 -14.298 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.670 -12.879 -9.602 1.00 0.00 H new ATOM 452 N LYS A 31 -2.458 -13.682 -5.714 1.00 0.00 N ATOM 453 CA LYS A 31 -3.404 -13.051 -4.802 1.00 0.00 C ATOM 454 C LYS A 31 -3.002 -13.286 -3.350 1.00 0.00 C ATOM 455 O LYS A 31 -3.854 -13.378 -2.466 1.00 0.00 O ATOM 456 CB LYS A 31 -4.815 -13.591 -5.047 1.00 0.00 C ATOM 457 CG LYS A 31 -5.597 -12.803 -6.085 1.00 0.00 C ATOM 458 CD LYS A 31 -7.090 -13.060 -5.970 1.00 0.00 C ATOM 459 CE LYS A 31 -7.778 -12.974 -7.323 1.00 0.00 C ATOM 460 NZ LYS A 31 -8.767 -14.070 -7.513 1.00 0.00 N ATOM 0 H LYS A 31 -1.913 -14.438 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.393 -11.978 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.746 -14.630 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.366 -13.584 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.399 -11.738 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.256 -13.076 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.258 -14.046 -5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.533 -12.334 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.281 -12.011 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.030 -13.019 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.214 -13.976 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.283 -14.989 -7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.496 -14.012 -6.773 1.00 0.00 H new ATOM 474 N ASN A 32 -1.699 -13.380 -3.110 1.00 0.00 N ATOM 475 CA ASN A 32 -1.184 -13.605 -1.763 1.00 0.00 C ATOM 476 C ASN A 32 -0.401 -12.391 -1.272 1.00 0.00 C ATOM 477 O ASN A 32 0.029 -11.553 -2.065 1.00 0.00 O ATOM 478 CB ASN A 32 -0.292 -14.847 -1.735 1.00 0.00 C ATOM 479 CG ASN A 32 0.219 -15.162 -0.342 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.356 -14.841 0.002 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.621 -15.797 0.467 1.00 0.00 N ATOM 0 H ASN A 32 -0.980 -13.304 -3.829 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.033 -13.762 -1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.852 -15.701 -2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.555 -14.697 -2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.332 -16.038 1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.555 -16.044 0.140 1.00 0.00 H new ATOM 488 N TRP A 33 -0.219 -12.304 0.042 1.00 0.00 N ATOM 489 CA TRP A 33 0.512 -11.194 0.641 1.00 0.00 C ATOM 490 C TRP A 33 1.973 -11.205 0.204 1.00 0.00 C ATOM 491 O TRP A 33 2.565 -10.155 -0.047 1.00 0.00 O ATOM 492 CB TRP A 33 0.425 -11.262 2.167 1.00 0.00 C ATOM 493 CG TRP A 33 0.871 -12.578 2.728 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.077 -13.635 3.067 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.216 -12.975 3.016 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.847 -14.666 3.549 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.162 -14.286 3.527 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.460 -12.351 2.891 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.306 -14.982 3.913 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.594 -13.043 3.273 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.510 -14.347 3.779 1.00 0.00 C ATOM 0 H TRP A 33 -0.568 -12.989 0.712 1.00 0.00 H new ATOM 0 HA TRP A 33 0.055 -10.265 0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.036 -10.467 2.595 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.604 -11.074 2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.998 -13.658 2.971 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.496 -15.568 3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.534 -11.346 2.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.244 -15.987 4.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.561 -12.571 3.180 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.414 -14.861 4.069 1.00 0.00 H new ATOM 512 N ALA A 34 2.550 -12.399 0.116 1.00 0.00 N ATOM 513 CA ALA A 34 3.943 -12.548 -0.290 1.00 0.00 C ATOM 514 C ALA A 34 4.177 -11.958 -1.675 1.00 0.00 C ATOM 515 O ALA A 34 5.203 -11.324 -1.926 1.00 0.00 O ATOM 516 CB ALA A 34 4.345 -14.016 -0.265 1.00 0.00 C ATOM 0 H ALA A 34 2.074 -13.278 0.320 1.00 0.00 H new ATOM 0 HA ALA A 34 4.563 -12.000 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.387 -14.113 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.224 -14.409 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.712 -14.578 -0.951 1.00 0.00 H new ATOM 522 N THR A 35 3.221 -12.169 -2.574 1.00 0.00 N ATOM 523 CA THR A 35 3.324 -11.655 -3.935 1.00 0.00 C ATOM 524 C THR A 35 3.394 -10.132 -3.938 1.00 0.00 C ATOM 525 O THR A 35 4.173 -9.538 -4.683 1.00 0.00 O ATOM 526 CB THR A 35 2.132 -12.124 -4.770 1.00 0.00 C ATOM 527 OG1 THR A 35 1.737 -13.431 -4.391 1.00 0.00 O ATOM 528 CG2 THR A 35 2.413 -12.144 -6.257 1.00 0.00 C ATOM 0 H THR A 35 2.366 -12.692 -2.385 1.00 0.00 H new ATOM 0 HA THR A 35 4.243 -12.043 -4.375 1.00 0.00 H new ATOM 0 HB THR A 35 1.341 -11.400 -4.575 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.557 -13.964 -5.193 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.526 -12.486 -6.790 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.673 -11.140 -6.592 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.243 -12.821 -6.461 1.00 0.00 H new ATOM 536 N LEU A 36 2.573 -9.506 -3.101 1.00 0.00 N ATOM 537 CA LEU A 36 2.542 -8.051 -3.006 1.00 0.00 C ATOM 538 C LEU A 36 3.885 -7.507 -2.526 1.00 0.00 C ATOM 539 O LEU A 36 4.328 -6.446 -2.963 1.00 0.00 O ATOM 540 CB LEU A 36 1.428 -7.604 -2.058 1.00 0.00 C ATOM 541 CG LEU A 36 1.251 -6.089 -1.937 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.685 -5.512 -3.224 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.350 -5.753 -0.758 1.00 0.00 C ATOM 0 H LEU A 36 1.921 -9.983 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 36 2.344 -7.652 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.487 -8.039 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.629 -8.011 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 36 2.229 -5.640 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.566 -4.434 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.367 -5.723 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.285 -5.965 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.234 -4.672 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.627 -6.214 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.797 -6.133 0.161 1.00 0.00 H new ATOM 555 N ALA A 37 4.525 -8.242 -1.623 1.00 0.00 N ATOM 556 CA ALA A 37 5.816 -7.835 -1.082 1.00 0.00 C ATOM 557 C ALA A 37 6.857 -7.704 -2.188 1.00 0.00 C ATOM 558 O ALA A 37 7.667 -6.777 -2.186 1.00 0.00 O ATOM 559 CB ALA A 37 6.283 -8.828 -0.029 1.00 0.00 C ATOM 0 H ALA A 37 4.170 -9.123 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 37 5.696 -6.857 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.248 -8.512 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.555 -8.869 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.381 -9.816 -0.479 1.00 0.00 H new ATOM 565 N GLN A 38 6.832 -8.640 -3.132 1.00 0.00 N ATOM 566 CA GLN A 38 7.775 -8.630 -4.244 1.00 0.00 C ATOM 567 C GLN A 38 7.488 -7.466 -5.189 1.00 0.00 C ATOM 568 O GLN A 38 8.399 -6.915 -5.806 1.00 0.00 O ATOM 569 CB GLN A 38 7.709 -9.955 -5.007 1.00 0.00 C ATOM 570 CG GLN A 38 8.952 -10.814 -4.842 1.00 0.00 C ATOM 571 CD GLN A 38 9.110 -11.831 -5.956 1.00 0.00 C ATOM 572 OE1 GLN A 38 9.836 -11.602 -6.923 1.00 0.00 O ATOM 573 NE2 GLN A 38 8.428 -12.963 -5.825 1.00 0.00 N ATOM 0 H GLN A 38 6.169 -9.415 -3.149 1.00 0.00 H new ATOM 0 HA GLN A 38 8.779 -8.504 -3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.840 -10.518 -4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.559 -9.748 -6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.832 -10.172 -4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.906 -11.333 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.838 -13.111 -5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.494 -13.684 -6.543 1.00 0.00 H new ATOM 582 N LYS A 39 6.215 -7.099 -5.296 1.00 0.00 N ATOM 583 CA LYS A 39 5.807 -6.001 -6.166 1.00 0.00 C ATOM 584 C LYS A 39 6.218 -4.656 -5.572 1.00 0.00 C ATOM 585 O LYS A 39 6.846 -3.837 -6.242 1.00 0.00 O ATOM 586 CB LYS A 39 4.294 -6.036 -6.391 1.00 0.00 C ATOM 587 CG LYS A 39 3.898 -6.474 -7.791 1.00 0.00 C ATOM 588 CD LYS A 39 3.907 -7.988 -7.925 1.00 0.00 C ATOM 589 CE LYS A 39 3.956 -8.417 -9.383 1.00 0.00 C ATOM 590 NZ LYS A 39 5.339 -8.764 -9.814 1.00 0.00 N ATOM 0 H LYS A 39 5.449 -7.545 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 39 6.310 -6.122 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.843 -6.713 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.883 -5.045 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.904 -6.093 -8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.585 -6.039 -8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.768 -8.396 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.016 -8.402 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.303 -9.277 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.571 -7.614 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.329 -9.051 -10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.957 -7.936 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.698 -9.548 -9.232 1.00 0.00 H new ATOM 604 N LEU A 40 5.860 -4.437 -4.312 1.00 0.00 N ATOM 605 CA LEU A 40 6.190 -3.191 -3.630 1.00 0.00 C ATOM 606 C LEU A 40 7.701 -3.022 -3.510 1.00 0.00 C ATOM 607 O LEU A 40 8.288 -2.134 -4.129 1.00 0.00 O ATOM 608 CB LEU A 40 5.551 -3.160 -2.240 1.00 0.00 C ATOM 609 CG LEU A 40 4.037 -3.378 -2.219 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.546 -3.578 -0.794 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.322 -2.203 -2.872 1.00 0.00 C ATOM 0 H LEU A 40 5.342 -5.106 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 40 5.794 -2.366 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.022 -3.926 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.771 -2.198 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 40 3.810 -4.279 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.467 -3.732 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.035 -4.450 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.784 -2.696 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.246 -2.374 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.556 -1.287 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.652 -2.106 -3.906 1.00 0.00 H new ATOM 623 N GLY A 41 8.326 -3.880 -2.709 1.00 0.00 N ATOM 624 CA GLY A 41 9.764 -3.807 -2.524 1.00 0.00 C ATOM 625 C GLY A 41 10.202 -4.350 -1.177 1.00 0.00 C ATOM 626 O GLY A 41 11.036 -3.749 -0.500 1.00 0.00 O ATOM 0 H GLY A 41 7.863 -4.623 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.259 -4.368 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.087 -2.770 -2.617 1.00 0.00 H new ATOM 630 N LEU A 42 9.639 -5.489 -0.788 1.00 0.00 N ATOM 631 CA LEU A 42 9.977 -6.113 0.486 1.00 0.00 C ATOM 632 C LEU A 42 10.129 -7.622 0.329 1.00 0.00 C ATOM 633 O LEU A 42 9.856 -8.383 1.257 1.00 0.00 O ATOM 634 CB LEU A 42 8.903 -5.803 1.530 1.00 0.00 C ATOM 635 CG LEU A 42 8.541 -4.324 1.667 1.00 0.00 C ATOM 636 CD1 LEU A 42 7.095 -4.167 2.114 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.480 -3.635 2.645 1.00 0.00 C ATOM 0 H LEU A 42 8.947 -5.999 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 42 10.930 -5.703 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.001 -6.360 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.243 -6.169 2.499 1.00 0.00 H new ATOM 0 HG LEU A 42 8.652 -3.851 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.856 -3.108 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.435 -4.626 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.957 -4.655 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.208 -2.583 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.401 -4.111 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.505 -3.717 2.284 1.00 0.00 H new ATOM 649 N GLY A 43 10.569 -8.048 -0.851 1.00 0.00 N ATOM 650 CA GLY A 43 10.750 -9.465 -1.107 1.00 0.00 C ATOM 651 C GLY A 43 11.846 -10.073 -0.256 1.00 0.00 C ATOM 652 O GLY A 43 11.814 -11.265 0.052 1.00 0.00 O ATOM 0 H GLY A 43 10.803 -7.438 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.813 -9.988 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.988 -9.613 -2.160 1.00 0.00 H new ATOM 656 N ILE A 44 12.820 -9.254 0.126 1.00 0.00 N ATOM 657 CA ILE A 44 13.932 -9.718 0.947 1.00 0.00 C ATOM 658 C ILE A 44 13.469 -10.063 2.361 1.00 0.00 C ATOM 659 O ILE A 44 14.090 -10.874 3.047 1.00 0.00 O ATOM 660 CB ILE A 44 15.056 -8.664 1.020 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.247 -9.204 1.817 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.537 -7.372 1.637 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.586 -8.901 1.182 1.00 0.00 C ATOM 0 H ILE A 44 12.862 -8.265 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 44 14.323 -10.617 0.471 1.00 0.00 H new ATOM 0 HB ILE A 44 15.393 -8.448 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.225 -8.779 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.142 -10.283 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.343 -6.640 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.723 -6.979 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.173 -7.571 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.383 -9.313 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.628 -9.350 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.713 -7.822 1.098 1.00 0.00 H new ATOM 675 N LEU A 45 12.375 -9.441 2.792 1.00 0.00 N ATOM 676 CA LEU A 45 11.833 -9.684 4.124 1.00 0.00 C ATOM 677 C LEU A 45 10.558 -10.519 4.052 1.00 0.00 C ATOM 678 O LEU A 45 9.711 -10.451 4.943 1.00 0.00 O ATOM 679 CB LEU A 45 11.548 -8.358 4.831 1.00 0.00 C ATOM 680 CG LEU A 45 12.787 -7.552 5.222 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.423 -6.096 5.459 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.443 -8.148 6.458 1.00 0.00 C ATOM 0 H LEU A 45 11.848 -8.766 2.238 1.00 0.00 H new ATOM 0 HA LEU A 45 12.577 -10.240 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.925 -7.744 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.967 -8.561 5.731 1.00 0.00 H new ATOM 0 HG LEU A 45 13.501 -7.597 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.317 -5.538 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.000 -5.674 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.690 -6.030 6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.323 -7.561 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.736 -8.134 7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.741 -9.176 6.252 1.00 0.00 H new ATOM 694 N ASN A 46 10.426 -11.306 2.989 1.00 0.00 N ATOM 695 CA ASN A 46 9.253 -12.152 2.807 1.00 0.00 C ATOM 696 C ASN A 46 9.202 -13.250 3.865 1.00 0.00 C ATOM 697 O ASN A 46 8.153 -13.510 4.454 1.00 0.00 O ATOM 698 CB ASN A 46 9.259 -12.775 1.408 1.00 0.00 C ATOM 699 CG ASN A 46 7.874 -12.837 0.796 1.00 0.00 C ATOM 700 OD1 ASN A 46 6.896 -13.153 1.475 1.00 0.00 O ATOM 701 ND2 ASN A 46 7.782 -12.534 -0.493 1.00 0.00 N ATOM 0 H ASN A 46 11.116 -11.375 2.241 1.00 0.00 H new ATOM 0 HA ASN A 46 8.366 -11.527 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.915 -12.195 0.758 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.674 -13.781 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.875 -12.558 -0.959 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.618 -12.278 -1.018 1.00 0.00 H new ATOM 708 N ASN A 47 10.343 -13.890 4.099 1.00 0.00 N ATOM 709 CA ASN A 47 10.429 -14.959 5.088 1.00 0.00 C ATOM 710 C ASN A 47 10.128 -14.432 6.487 1.00 0.00 C ATOM 711 O ASN A 47 9.607 -15.157 7.335 1.00 0.00 O ATOM 712 CB ASN A 47 11.820 -15.599 5.054 1.00 0.00 C ATOM 713 CG ASN A 47 11.792 -17.013 4.509 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.522 -17.346 3.574 1.00 0.00 O ATOM 715 ND2 ASN A 47 10.947 -17.856 5.091 1.00 0.00 N ATOM 0 H ASN A 47 11.220 -13.688 3.618 1.00 0.00 H new ATOM 0 HA ASN A 47 9.683 -15.714 4.840 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.483 -14.989 4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.237 -15.609 6.061 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.885 -18.821 4.766 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.360 -17.539 5.863 1.00 0.00 H new ATOM 722 N ALA A 48 10.459 -13.167 6.722 1.00 0.00 N ATOM 723 CA ALA A 48 10.225 -12.544 8.019 1.00 0.00 C ATOM 724 C ALA A 48 8.734 -12.468 8.331 1.00 0.00 C ATOM 725 O ALA A 48 8.293 -12.866 9.409 1.00 0.00 O ATOM 726 CB ALA A 48 10.846 -11.156 8.057 1.00 0.00 C ATOM 0 H ALA A 48 10.890 -12.553 6.031 1.00 0.00 H new ATOM 0 HA ALA A 48 10.698 -13.162 8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.664 -10.702 9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.920 -11.233 7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.400 -10.536 7.279 1.00 0.00 H new ATOM 732 N PHE A 49 7.961 -11.950 7.380 1.00 0.00 N ATOM 733 CA PHE A 49 6.519 -11.821 7.555 1.00 0.00 C ATOM 734 C PHE A 49 5.859 -13.191 7.674 1.00 0.00 C ATOM 735 O PHE A 49 4.899 -13.366 8.424 1.00 0.00 O ATOM 736 CB PHE A 49 5.908 -11.048 6.386 1.00 0.00 C ATOM 737 CG PHE A 49 6.631 -9.769 6.067 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.804 -8.796 7.039 1.00 0.00 C ATOM 739 CD2 PHE A 49 7.135 -9.542 4.797 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.468 -7.620 6.748 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.801 -8.367 4.502 1.00 0.00 C ATOM 742 CZ PHE A 49 7.967 -7.405 5.478 1.00 0.00 C ATOM 0 H PHE A 49 8.309 -11.614 6.482 1.00 0.00 H new ATOM 0 HA PHE A 49 6.340 -11.270 8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.906 -11.685 5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.867 -10.820 6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.416 -8.959 8.034 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.006 -10.291 4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.597 -6.869 7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.191 -8.202 3.509 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.486 -6.486 5.249 1.00 0.00 H new ATOM 752 N ARG A 50 6.381 -14.159 6.927 1.00 0.00 N ATOM 753 CA ARG A 50 5.842 -15.515 6.947 1.00 0.00 C ATOM 754 C ARG A 50 5.887 -16.099 8.355 1.00 0.00 C ATOM 755 O ARG A 50 5.036 -16.905 8.732 1.00 0.00 O ATOM 756 CB ARG A 50 6.624 -16.411 5.986 1.00 0.00 C ATOM 757 CG ARG A 50 5.757 -17.425 5.257 1.00 0.00 C ATOM 758 CD ARG A 50 6.599 -18.402 4.453 1.00 0.00 C ATOM 759 NE ARG A 50 5.819 -19.073 3.415 1.00 0.00 N ATOM 760 CZ ARG A 50 6.351 -19.849 2.473 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.662 -20.055 2.435 1.00 0.00 N ATOM 762 NH2 ARG A 50 5.570 -20.421 1.569 1.00 0.00 N ATOM 0 H ARG A 50 7.176 -14.030 6.301 1.00 0.00 H new ATOM 0 HA ARG A 50 4.801 -15.470 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.132 -15.786 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.397 -16.940 6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.151 -17.973 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.067 -16.905 4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.432 -17.870 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.028 -19.147 5.123 1.00 0.00 H new ATOM 0 HE ARG A 50 4.808 -18.939 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.267 -19.618 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.064 -20.651 1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.562 -20.267 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.977 -21.016 0.847 1.00 0.00 H new ATOM 776 N LEU A 51 6.884 -15.686 9.131 1.00 0.00 N ATOM 777 CA LEU A 51 7.039 -16.168 10.498 1.00 0.00 C ATOM 778 C LEU A 51 5.976 -15.565 11.411 1.00 0.00 C ATOM 779 O LEU A 51 5.475 -16.227 12.320 1.00 0.00 O ATOM 780 CB LEU A 51 8.434 -15.828 11.027 1.00 0.00 C ATOM 781 CG LEU A 51 9.579 -16.613 10.384 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.842 -15.767 10.331 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.832 -17.904 11.147 1.00 0.00 C ATOM 0 H LEU A 51 7.597 -15.018 8.836 1.00 0.00 H new ATOM 0 HA LEU A 51 6.915 -17.251 10.491 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.614 -14.764 10.876 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.451 -16.005 12.102 1.00 0.00 H new ATOM 0 HG LEU A 51 9.293 -16.867 9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.646 -16.342 9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.654 -14.869 9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.132 -15.483 11.342 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.649 -18.450 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.097 -17.671 12.178 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.931 -18.517 11.134 1.00 0.00 H new ATOM 795 N SER A 52 5.637 -14.304 11.164 1.00 0.00 N ATOM 796 CA SER A 52 4.634 -13.610 11.962 1.00 0.00 C ATOM 797 C SER A 52 3.262 -14.258 11.796 1.00 0.00 C ATOM 798 O SER A 52 3.034 -15.014 10.852 1.00 0.00 O ATOM 799 CB SER A 52 4.566 -12.135 11.563 1.00 0.00 C ATOM 800 OG SER A 52 5.446 -11.351 12.351 1.00 0.00 O ATOM 0 H SER A 52 6.043 -13.742 10.416 1.00 0.00 H new ATOM 0 HA SER A 52 4.926 -13.683 13.010 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.824 -12.028 10.509 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.546 -11.770 11.680 1.00 0.00 H new ATOM 0 HG SER A 52 5.385 -10.413 12.075 1.00 0.00 H new ATOM 806 N PRO A 53 2.325 -13.966 12.716 1.00 0.00 N ATOM 807 CA PRO A 53 0.969 -14.523 12.665 1.00 0.00 C ATOM 808 C PRO A 53 0.182 -14.014 11.462 1.00 0.00 C ATOM 809 O PRO A 53 -0.521 -14.776 10.799 1.00 0.00 O ATOM 810 CB PRO A 53 0.330 -14.035 13.968 1.00 0.00 C ATOM 811 CG PRO A 53 1.109 -12.823 14.347 1.00 0.00 C ATOM 812 CD PRO A 53 2.513 -13.072 13.873 1.00 0.00 C ATOM 0 HA PRO A 53 0.978 -15.608 12.563 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.725 -13.798 13.826 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.384 -14.798 14.744 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.692 -11.930 13.882 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.083 -12.663 15.425 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.012 -12.146 13.589 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.123 -13.538 14.647 1.00 0.00 H new ATOM 820 N ALA A 54 0.307 -12.719 11.185 1.00 0.00 N ATOM 821 CA ALA A 54 -0.391 -12.107 10.061 1.00 0.00 C ATOM 822 C ALA A 54 0.584 -11.354 9.159 1.00 0.00 C ATOM 823 O ALA A 54 0.779 -10.149 9.311 1.00 0.00 O ATOM 824 CB ALA A 54 -1.480 -11.171 10.563 1.00 0.00 C ATOM 0 H ALA A 54 0.885 -12.074 11.724 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.853 -12.900 9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.993 -10.721 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.196 -11.734 11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.033 -10.387 11.174 1.00 0.00 H new ATOM 830 N PRO A 55 1.210 -12.059 8.201 1.00 0.00 N ATOM 831 CA PRO A 55 2.167 -11.452 7.270 1.00 0.00 C ATOM 832 C PRO A 55 1.610 -10.205 6.593 1.00 0.00 C ATOM 833 O PRO A 55 2.283 -9.178 6.509 1.00 0.00 O ATOM 834 CB PRO A 55 2.412 -12.557 6.241 1.00 0.00 C ATOM 835 CG PRO A 55 2.130 -13.824 6.972 1.00 0.00 C ATOM 836 CD PRO A 55 1.034 -13.502 7.950 1.00 0.00 C ATOM 0 HA PRO A 55 3.071 -11.117 7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.758 -12.445 5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.437 -12.533 5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.821 -14.611 6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.020 -14.183 7.488 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.050 -13.720 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.130 -14.084 8.867 1.00 0.00 H new ATOM 844 N SER A 56 0.375 -10.303 6.110 1.00 0.00 N ATOM 845 CA SER A 56 -0.273 -9.180 5.438 1.00 0.00 C ATOM 846 C SER A 56 -0.380 -7.978 6.369 1.00 0.00 C ATOM 847 O SER A 56 -0.338 -6.830 5.924 1.00 0.00 O ATOM 848 CB SER A 56 -1.664 -9.587 4.950 1.00 0.00 C ATOM 849 OG SER A 56 -1.735 -10.982 4.714 1.00 0.00 O ATOM 0 H SER A 56 -0.196 -11.146 6.171 1.00 0.00 H new ATOM 0 HA SER A 56 0.338 -8.899 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.410 -9.302 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.903 -9.048 4.034 1.00 0.00 H new ATOM 0 HG SER A 56 -2.635 -11.216 4.404 1.00 0.00 H new ATOM 855 N LYS A 57 -0.516 -8.246 7.663 1.00 0.00 N ATOM 856 CA LYS A 57 -0.629 -7.185 8.657 1.00 0.00 C ATOM 857 C LYS A 57 0.744 -6.613 8.999 1.00 0.00 C ATOM 858 O LYS A 57 0.874 -5.431 9.316 1.00 0.00 O ATOM 859 CB LYS A 57 -1.304 -7.713 9.923 1.00 0.00 C ATOM 860 CG LYS A 57 -1.979 -6.631 10.751 1.00 0.00 C ATOM 861 CD LYS A 57 -3.045 -7.213 11.665 1.00 0.00 C ATOM 862 CE LYS A 57 -4.239 -7.724 10.876 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.731 -9.030 11.394 1.00 0.00 N ATOM 0 H LYS A 57 -0.551 -9.190 8.048 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.240 -6.388 8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.046 -8.461 9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.559 -8.218 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.231 -6.109 11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.430 -5.892 10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.619 -8.028 12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.374 -6.452 12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.044 -6.990 10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.962 -7.831 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.546 -9.343 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.972 -9.738 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.020 -8.923 12.387 1.00 0.00 H new ATOM 877 N THR A 58 1.765 -7.462 8.934 1.00 0.00 N ATOM 878 CA THR A 58 3.128 -7.041 9.238 1.00 0.00 C ATOM 879 C THR A 58 3.771 -6.367 8.030 1.00 0.00 C ATOM 880 O THR A 58 4.596 -5.465 8.176 1.00 0.00 O ATOM 881 CB THR A 58 3.969 -8.242 9.673 1.00 0.00 C ATOM 882 OG1 THR A 58 3.226 -9.090 10.531 1.00 0.00 O ATOM 883 CG2 THR A 58 5.238 -7.853 10.400 1.00 0.00 C ATOM 0 H THR A 58 1.674 -8.444 8.674 1.00 0.00 H new ATOM 0 HA THR A 58 3.086 -6.320 10.054 1.00 0.00 H new ATOM 0 HB THR A 58 4.241 -8.753 8.750 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.516 -9.531 10.020 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.787 -8.752 10.680 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.858 -7.238 9.747 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.985 -7.288 11.297 1.00 0.00 H new ATOM 891 N LEU A 59 3.388 -6.810 6.838 1.00 0.00 N ATOM 892 CA LEU A 59 3.928 -6.249 5.604 1.00 0.00 C ATOM 893 C LEU A 59 3.622 -4.758 5.506 1.00 0.00 C ATOM 894 O LEU A 59 4.503 -3.953 5.202 1.00 0.00 O ATOM 895 CB LEU A 59 3.351 -6.980 4.390 1.00 0.00 C ATOM 896 CG LEU A 59 4.016 -6.643 3.055 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.453 -7.142 3.034 1.00 0.00 C ATOM 898 CD2 LEU A 59 3.226 -7.242 1.901 1.00 0.00 C ATOM 0 H LEU A 59 2.706 -7.556 6.699 1.00 0.00 H new ATOM 0 HA LEU A 59 5.010 -6.381 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.433 -8.054 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.288 -6.749 4.318 1.00 0.00 H new ATOM 0 HG LEU A 59 4.027 -5.559 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.911 -6.893 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.015 -6.667 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.465 -8.223 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.713 -6.993 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.184 -8.325 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.214 -6.838 1.904 1.00 0.00 H new ATOM 910 N MET A 60 2.370 -4.397 5.766 1.00 0.00 N ATOM 911 CA MET A 60 1.948 -3.003 5.707 1.00 0.00 C ATOM 912 C MET A 60 2.717 -2.159 6.719 1.00 0.00 C ATOM 913 O MET A 60 2.956 -0.971 6.499 1.00 0.00 O ATOM 914 CB MET A 60 0.445 -2.891 5.970 1.00 0.00 C ATOM 915 CG MET A 60 -0.411 -3.277 4.776 1.00 0.00 C ATOM 916 SD MET A 60 -0.199 -2.158 3.378 1.00 0.00 S ATOM 917 CE MET A 60 -0.867 -3.150 2.044 1.00 0.00 C ATOM 0 H MET A 60 1.630 -5.051 6.020 1.00 0.00 H new ATOM 0 HA MET A 60 2.164 -2.626 4.707 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.184 -3.528 6.815 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.210 -1.866 6.259 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.159 -4.291 4.466 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.460 -3.286 5.073 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.057 -3.477 1.393 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.374 -4.022 2.458 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.577 -2.556 1.469 1.00 0.00 H new ATOM 927 N ASP A 61 3.103 -2.780 7.829 1.00 0.00 N ATOM 928 CA ASP A 61 3.845 -2.086 8.875 1.00 0.00 C ATOM 929 C ASP A 61 5.261 -1.761 8.414 1.00 0.00 C ATOM 930 O ASP A 61 5.800 -0.700 8.727 1.00 0.00 O ATOM 931 CB ASP A 61 3.891 -2.936 10.146 1.00 0.00 C ATOM 932 CG ASP A 61 3.677 -2.111 11.401 1.00 0.00 C ATOM 933 OD1 ASP A 61 4.045 -0.918 11.398 1.00 0.00 O ATOM 934 OD2 ASP A 61 3.140 -2.659 12.387 1.00 0.00 O ATOM 0 H ASP A 61 2.914 -3.763 8.027 1.00 0.00 H new ATOM 0 HA ASP A 61 3.330 -1.150 9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.127 -3.711 10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.855 -3.442 10.207 1.00 0.00 H new ATOM 939 N ASN A 62 5.857 -2.683 7.667 1.00 0.00 N ATOM 940 CA ASN A 62 7.212 -2.498 7.159 1.00 0.00 C ATOM 941 C ASN A 62 7.224 -1.537 5.976 1.00 0.00 C ATOM 942 O ASN A 62 8.090 -0.667 5.878 1.00 0.00 O ATOM 943 CB ASN A 62 7.812 -3.843 6.744 1.00 0.00 C ATOM 944 CG ASN A 62 8.559 -4.517 7.879 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.785 -4.626 7.851 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.822 -4.974 8.883 1.00 0.00 N ATOM 0 H ASN A 62 5.424 -3.567 7.399 1.00 0.00 H new ATOM 0 HA ASN A 62 7.816 -2.069 7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.016 -4.501 6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.491 -3.692 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.269 -5.438 9.674 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.808 -4.862 8.864 1.00 0.00 H new ATOM 953 N TYR A 63 6.257 -1.698 5.080 1.00 0.00 N ATOM 954 CA TYR A 63 6.156 -0.843 3.901 1.00 0.00 C ATOM 955 C TYR A 63 5.974 0.617 4.303 1.00 0.00 C ATOM 956 O TYR A 63 6.414 1.524 3.597 1.00 0.00 O ATOM 957 CB TYR A 63 4.988 -1.291 3.020 1.00 0.00 C ATOM 958 CG TYR A 63 5.018 -0.697 1.629 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.187 -0.694 0.880 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.875 -0.141 1.067 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.218 -0.153 -0.392 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.898 0.401 -0.205 1.00 0.00 C ATOM 963 CZ TYR A 63 5.071 0.394 -0.929 1.00 0.00 C ATOM 964 OH TYR A 63 5.098 0.933 -2.194 1.00 0.00 O ATOM 0 H TYR A 63 5.532 -2.412 5.147 1.00 0.00 H new ATOM 0 HA TYR A 63 7.084 -0.933 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.998 -2.378 2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.051 -1.015 3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.087 -1.121 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.955 -0.132 1.632 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.135 -0.159 -0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.001 0.828 -0.629 1.00 0.00 H new ATOM 0 HH TYR A 63 5.199 0.215 -2.853 1.00 0.00 H new ATOM 974 N GLU A 64 5.323 0.837 5.441 1.00 0.00 N ATOM 975 CA GLU A 64 5.084 2.187 5.936 1.00 0.00 C ATOM 976 C GLU A 64 6.384 2.833 6.404 1.00 0.00 C ATOM 977 O GLU A 64 6.605 4.027 6.199 1.00 0.00 O ATOM 978 CB GLU A 64 4.073 2.160 7.085 1.00 0.00 C ATOM 979 CG GLU A 64 3.303 3.460 7.247 1.00 0.00 C ATOM 980 CD GLU A 64 1.999 3.275 7.997 1.00 0.00 C ATOM 981 OE1 GLU A 64 1.922 2.352 8.835 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.054 4.052 7.746 1.00 0.00 O ATOM 0 H GLU A 64 4.952 0.097 6.037 1.00 0.00 H new ATOM 0 HA GLU A 64 4.678 2.781 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.366 1.347 6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.598 1.940 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.924 4.182 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.095 3.880 6.263 1.00 0.00 H new ATOM 989 N VAL A 65 7.242 2.036 7.032 1.00 0.00 N ATOM 990 CA VAL A 65 8.521 2.530 7.530 1.00 0.00 C ATOM 991 C VAL A 65 9.372 3.090 6.396 1.00 0.00 C ATOM 992 O VAL A 65 10.150 4.024 6.594 1.00 0.00 O ATOM 993 CB VAL A 65 9.310 1.421 8.249 1.00 0.00 C ATOM 994 CG1 VAL A 65 10.540 1.998 8.933 1.00 0.00 C ATOM 995 CG2 VAL A 65 8.423 0.699 9.252 1.00 0.00 C ATOM 0 H VAL A 65 7.075 1.045 7.208 1.00 0.00 H new ATOM 0 HA VAL A 65 8.298 3.326 8.241 1.00 0.00 H new ATOM 0 HB VAL A 65 9.643 0.697 7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.085 1.199 9.436 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.185 2.465 8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.233 2.744 9.665 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.998 -0.081 9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.058 1.410 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.577 0.250 8.732 1.00 0.00 H new ATOM 1005 N SER A 66 9.219 2.516 5.207 1.00 0.00 N ATOM 1006 CA SER A 66 9.975 2.959 4.042 1.00 0.00 C ATOM 1007 C SER A 66 9.137 3.893 3.173 1.00 0.00 C ATOM 1008 O SER A 66 9.286 3.918 1.951 1.00 0.00 O ATOM 1009 CB SER A 66 10.437 1.755 3.219 1.00 0.00 C ATOM 1010 OG SER A 66 11.288 0.914 3.979 1.00 0.00 O ATOM 0 H SER A 66 8.578 1.743 5.025 1.00 0.00 H new ATOM 0 HA SER A 66 10.850 3.506 4.394 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.570 1.189 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.962 2.099 2.328 1.00 0.00 H new ATOM 0 HG SER A 66 11.568 0.151 3.431 1.00 0.00 H new ATOM 1016 N GLY A 67 8.258 4.656 3.813 1.00 0.00 N ATOM 1017 CA GLY A 67 7.410 5.581 3.082 1.00 0.00 C ATOM 1018 C GLY A 67 6.002 5.052 2.894 1.00 0.00 C ATOM 1019 O GLY A 67 5.086 5.430 3.626 1.00 0.00 O ATOM 0 H GLY A 67 8.117 4.651 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.370 6.531 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.853 5.781 2.106 1.00 0.00 H new ATOM 1023 N GLY A 68 5.828 4.175 1.912 1.00 0.00 N ATOM 1024 CA GLY A 68 4.518 3.607 1.647 1.00 0.00 C ATOM 1025 C GLY A 68 3.582 4.595 0.983 1.00 0.00 C ATOM 1026 O GLY A 68 3.051 5.493 1.637 1.00 0.00 O ATOM 0 H GLY A 68 6.570 3.847 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.628 2.730 1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.077 3.266 2.584 1.00 0.00 H new ATOM 1030 N THR A 69 3.379 4.431 -0.320 1.00 0.00 N ATOM 1031 CA THR A 69 2.499 5.317 -1.075 1.00 0.00 C ATOM 1032 C THR A 69 1.244 4.579 -1.530 1.00 0.00 C ATOM 1033 O THR A 69 1.194 3.348 -1.511 1.00 0.00 O ATOM 1034 CB THR A 69 3.236 5.889 -2.287 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.077 4.909 -2.870 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.094 7.090 -1.954 1.00 0.00 C ATOM 0 H THR A 69 3.812 3.693 -0.875 1.00 0.00 H new ATOM 0 HA THR A 69 2.200 6.136 -0.420 1.00 0.00 H new ATOM 0 HB THR A 69 2.454 6.202 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.539 5.293 -3.645 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.588 7.446 -2.858 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.467 7.883 -1.547 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.845 6.807 -1.217 1.00 0.00 H new ATOM 1044 N VAL A 70 0.233 5.338 -1.939 1.00 0.00 N ATOM 1045 CA VAL A 70 -1.021 4.754 -2.399 1.00 0.00 C ATOM 1046 C VAL A 70 -0.924 4.327 -3.860 1.00 0.00 C ATOM 1047 O VAL A 70 -1.493 3.311 -4.258 1.00 0.00 O ATOM 1048 CB VAL A 70 -2.192 5.744 -2.243 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.515 5.055 -2.538 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -2.197 6.349 -0.848 1.00 0.00 C ATOM 0 H VAL A 70 0.258 6.357 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.209 3.878 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.060 6.551 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.331 5.769 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.507 4.674 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.657 4.227 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.031 7.045 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.304 5.556 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.260 6.880 -0.678 1.00 0.00 H new ATOM 1060 N ARG A 71 -0.200 5.110 -4.654 1.00 0.00 N ATOM 1061 CA ARG A 71 -0.029 4.812 -6.071 1.00 0.00 C ATOM 1062 C ARG A 71 0.703 3.487 -6.262 1.00 0.00 C ATOM 1063 O ARG A 71 0.441 2.754 -7.215 1.00 0.00 O ATOM 1064 CB ARG A 71 0.743 5.939 -6.761 1.00 0.00 C ATOM 1065 CG ARG A 71 -0.140 7.084 -7.229 1.00 0.00 C ATOM 1066 CD ARG A 71 -0.840 6.748 -8.536 1.00 0.00 C ATOM 1067 NE ARG A 71 -1.050 7.934 -9.364 1.00 0.00 N ATOM 1068 CZ ARG A 71 -1.311 7.891 -10.669 1.00 0.00 C ATOM 1069 NH1 ARG A 71 -1.396 6.725 -11.297 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -1.489 9.016 -11.346 1.00 0.00 N ATOM 0 H ARG A 71 0.277 5.955 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.018 4.729 -6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.494 6.328 -6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.278 5.530 -7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.883 7.308 -6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.464 7.982 -7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.246 6.020 -9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.801 6.280 -8.323 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.993 8.848 -8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.261 5.856 -10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.596 6.698 -12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.426 9.915 -10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.689 8.983 -12.346 1.00 0.00 H new ATOM 1084 N GLU A 72 1.622 3.188 -5.350 1.00 0.00 N ATOM 1085 CA GLU A 72 2.392 1.953 -5.418 1.00 0.00 C ATOM 1086 C GLU A 72 1.514 0.747 -5.100 1.00 0.00 C ATOM 1087 O GLU A 72 1.639 -0.307 -5.725 1.00 0.00 O ATOM 1088 CB GLU A 72 3.575 2.012 -4.448 1.00 0.00 C ATOM 1089 CG GLU A 72 4.926 2.072 -5.140 1.00 0.00 C ATOM 1090 CD GLU A 72 5.349 0.732 -5.711 1.00 0.00 C ATOM 1091 OE1 GLU A 72 5.360 -0.260 -4.951 1.00 0.00 O ATOM 1092 OE2 GLU A 72 5.667 0.674 -6.917 1.00 0.00 O ATOM 0 H GLU A 72 1.851 3.785 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 72 2.771 1.844 -6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.465 2.887 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.547 1.136 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.887 2.809 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.679 2.414 -4.430 1.00 0.00 H new ATOM 1099 N LEU A 73 0.624 0.908 -4.125 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.275 -0.167 -3.725 1.00 0.00 C ATOM 1101 C LEU A 73 -1.294 -0.460 -4.820 1.00 0.00 C ATOM 1102 O LEU A 73 -1.643 -1.615 -5.065 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.996 0.200 -2.425 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.793 -0.937 -1.785 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.871 -2.080 -1.390 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.566 -0.431 -0.576 1.00 0.00 C ATOM 0 H LEU A 73 0.507 1.773 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 73 0.322 -1.064 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.258 0.556 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.673 1.031 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.507 -1.311 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.457 -2.880 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.363 -2.460 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.132 -1.720 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.128 -1.253 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.869 -0.030 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.256 0.353 -0.887 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.769 0.593 -5.477 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.749 0.449 -6.547 1.00 0.00 C ATOM 1120 C VAL A 74 -2.136 -0.245 -7.759 1.00 0.00 C ATOM 1121 O VAL A 74 -2.750 -1.129 -8.357 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.313 1.815 -6.982 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.444 1.633 -7.984 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.787 2.608 -5.773 1.00 0.00 C ATOM 0 H VAL A 74 -1.491 1.556 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.562 -0.160 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.515 2.377 -7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.829 2.609 -8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.070 1.109 -8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.244 1.050 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.182 3.570 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.569 2.051 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.950 2.772 -5.094 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.922 0.160 -8.116 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.226 -0.423 -9.257 1.00 0.00 C ATOM 1136 C GLU A 75 0.156 -1.873 -8.976 1.00 0.00 C ATOM 1137 O GLU A 75 0.030 -2.738 -9.843 1.00 0.00 O ATOM 1138 CB GLU A 75 1.026 0.391 -9.589 1.00 0.00 C ATOM 1139 CG GLU A 75 0.792 1.466 -10.639 1.00 0.00 C ATOM 1140 CD GLU A 75 1.969 1.629 -11.580 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.151 0.760 -12.458 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.708 2.625 -11.439 1.00 0.00 O ATOM 0 H GLU A 75 -0.400 0.890 -7.631 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.901 -0.402 -10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.397 0.860 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.806 -0.285 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.098 1.217 -11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.594 2.416 -10.143 1.00 0.00 H new ATOM 1149 N ALA A 76 0.622 -2.131 -7.759 1.00 0.00 N ATOM 1150 CA ALA A 76 1.021 -3.476 -7.363 1.00 0.00 C ATOM 1151 C ALA A 76 -0.153 -4.445 -7.453 1.00 0.00 C ATOM 1152 O ALA A 76 0.009 -5.597 -7.854 1.00 0.00 O ATOM 1153 CB ALA A 76 1.591 -3.463 -5.954 1.00 0.00 C ATOM 0 H ALA A 76 0.733 -1.426 -7.030 1.00 0.00 H new ATOM 0 HA ALA A 76 1.793 -3.818 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.885 -4.474 -5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.462 -2.809 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.835 -3.097 -5.259 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.335 -3.970 -7.075 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.537 -4.794 -7.112 1.00 0.00 C ATOM 1161 C LEU A 77 -2.972 -5.057 -8.550 1.00 0.00 C ATOM 1162 O LEU A 77 -3.495 -6.125 -8.865 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.671 -4.115 -6.340 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.449 -3.999 -4.831 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.285 -2.868 -4.254 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.782 -5.315 -4.144 1.00 0.00 C ATOM 0 H LEU A 77 -1.486 -3.019 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.307 -5.749 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.820 -3.115 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.592 -4.671 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.398 -3.773 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.114 -2.801 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.001 -1.928 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.341 -3.064 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.619 -5.217 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.825 -5.569 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.140 -6.103 -4.538 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.753 -4.074 -9.418 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.122 -4.198 -10.823 1.00 0.00 C ATOM 1180 C ARG A 78 -2.178 -5.150 -11.552 1.00 0.00 C ATOM 1181 O ARG A 78 -2.576 -5.834 -12.494 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.111 -2.824 -11.498 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.440 -2.450 -12.136 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.926 -1.090 -11.662 1.00 0.00 C ATOM 1185 NE ARG A 78 -6.377 -1.052 -11.501 1.00 0.00 N ATOM 1186 CZ ARG A 78 -7.231 -0.904 -12.512 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -6.784 -0.784 -13.756 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -8.536 -0.878 -12.277 1.00 0.00 N ATOM 0 H ARG A 78 -2.322 -3.183 -9.172 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.130 -4.609 -10.875 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.846 -2.067 -10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.334 -2.810 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.334 -2.441 -13.221 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.186 -3.208 -11.895 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.450 -0.846 -10.713 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.621 -0.327 -12.378 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.758 -1.144 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.781 -0.805 -13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.443 -0.671 -14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.884 -0.971 -11.323 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.191 -0.765 -13.050 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.925 -5.186 -11.108 1.00 0.00 N ATOM 1203 CA GLN A 79 0.076 -6.054 -11.719 1.00 0.00 C ATOM 1204 C GLN A 79 -0.206 -7.519 -11.399 1.00 0.00 C ATOM 1205 O GLN A 79 -0.055 -8.391 -12.253 1.00 0.00 O ATOM 1206 CB GLN A 79 1.475 -5.673 -11.233 1.00 0.00 C ATOM 1207 CG GLN A 79 2.041 -4.439 -11.916 1.00 0.00 C ATOM 1208 CD GLN A 79 3.476 -4.156 -11.516 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.387 -4.911 -11.857 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.684 -3.066 -10.788 1.00 0.00 N ATOM 0 H GLN A 79 -0.579 -4.625 -10.329 1.00 0.00 H new ATOM 0 HA GLN A 79 0.026 -5.921 -12.800 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.442 -5.500 -10.157 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.150 -6.512 -11.400 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.988 -4.570 -12.997 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.422 -3.576 -11.669 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.899 -2.469 -10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.629 -2.826 -10.488 1.00 0.00 H new ATOM 1219 N MET A 80 -0.616 -7.779 -10.161 1.00 0.00 N ATOM 1220 CA MET A 80 -0.919 -9.138 -9.727 1.00 0.00 C ATOM 1221 C MET A 80 -2.242 -9.615 -10.319 1.00 0.00 C ATOM 1222 O MET A 80 -2.265 -10.455 -11.218 1.00 0.00 O ATOM 1223 CB MET A 80 -0.975 -9.207 -8.200 1.00 0.00 C ATOM 1224 CG MET A 80 0.364 -9.518 -7.554 1.00 0.00 C ATOM 1225 SD MET A 80 0.363 -9.223 -5.776 1.00 0.00 S ATOM 1226 CE MET A 80 -0.878 -10.398 -5.240 1.00 0.00 C ATOM 0 H MET A 80 -0.746 -7.067 -9.442 1.00 0.00 H new ATOM 0 HA MET A 80 -0.125 -9.793 -10.084 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.342 -8.255 -7.815 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.696 -9.969 -7.906 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.622 -10.560 -7.745 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.138 -8.907 -8.019 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.894 -10.439 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.856 -10.086 -5.606 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.640 -11.385 -5.636 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.341 -9.073 -9.806 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.654 -9.455 -10.293 1.00 0.00 C ATOM 1238 C GLY A 81 -5.746 -9.204 -9.273 1.00 0.00 C ATOM 1239 O GLY A 81 -6.617 -10.049 -9.065 1.00 0.00 O ATOM 0 H GLY A 81 -3.346 -8.376 -9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.877 -8.898 -11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.646 -10.512 -10.559 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.700 -8.039 -8.635 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.693 -7.677 -7.630 1.00 0.00 C ATOM 1245 C TYR A 82 -7.655 -6.623 -8.168 1.00 0.00 C ATOM 1246 O TYR A 82 -7.243 -5.682 -8.847 1.00 0.00 O ATOM 1247 CB TYR A 82 -6.004 -7.160 -6.366 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.748 -8.234 -5.334 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.802 -8.885 -4.705 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.453 -8.598 -4.989 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.572 -9.868 -3.760 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.214 -9.580 -4.046 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.277 -10.212 -3.435 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.044 -11.190 -2.496 1.00 0.00 O ATOM 0 H TYR A 82 -4.985 -7.329 -8.796 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.266 -8.571 -7.383 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.055 -6.699 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.620 -6.379 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.818 -8.619 -4.958 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.618 -8.105 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.402 -10.364 -3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.201 -9.851 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.003 -12.064 -2.937 1.00 0.00 H new ATOM 1264 N THR A 83 -8.937 -6.786 -7.861 1.00 0.00 N ATOM 1265 CA THR A 83 -9.959 -5.849 -8.314 1.00 0.00 C ATOM 1266 C THR A 83 -10.639 -5.171 -7.130 1.00 0.00 C ATOM 1267 O THR A 83 -10.925 -3.974 -7.166 1.00 0.00 O ATOM 1268 CB THR A 83 -11.000 -6.573 -9.170 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.435 -7.716 -9.786 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.585 -5.703 -10.263 1.00 0.00 C ATOM 0 H THR A 83 -9.294 -7.559 -7.300 1.00 0.00 H new ATOM 0 HA THR A 83 -9.472 -5.082 -8.917 1.00 0.00 H new ATOM 0 HB THR A 83 -11.799 -6.850 -8.482 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.116 -8.166 -10.328 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.316 -6.277 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.072 -4.836 -9.816 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.788 -5.369 -10.928 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.900 -5.944 -6.080 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.549 -5.418 -4.885 1.00 0.00 C ATOM 1280 C GLU A 84 -10.578 -4.580 -4.060 1.00 0.00 C ATOM 1281 O GLU A 84 -10.939 -3.521 -3.547 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.102 -6.565 -4.035 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.360 -7.194 -4.607 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.519 -8.648 -4.210 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -13.052 -9.017 -3.111 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.107 -9.419 -4.997 1.00 0.00 O ATOM 0 H GLU A 84 -10.672 -6.937 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.372 -4.778 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.335 -7.333 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.315 -6.193 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.230 -6.632 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.337 -7.119 -5.694 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.345 -5.061 -3.936 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.321 -4.356 -3.172 1.00 0.00 C ATOM 1295 C ALA A 85 -8.104 -2.947 -3.714 1.00 0.00 C ATOM 1296 O ALA A 85 -7.880 -2.005 -2.953 1.00 0.00 O ATOM 1297 CB ALA A 85 -7.017 -5.138 -3.191 1.00 0.00 C ATOM 0 H ALA A 85 -9.030 -5.936 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.666 -4.271 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.262 -4.600 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.176 -6.122 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.677 -5.253 -4.220 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.169 -2.809 -5.035 1.00 0.00 N ATOM 1304 CA ILE A 86 -7.978 -1.515 -5.677 1.00 0.00 C ATOM 1305 C ILE A 86 -9.215 -0.635 -5.522 1.00 0.00 C ATOM 1306 O ILE A 86 -9.114 0.591 -5.482 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.661 -1.673 -7.177 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.546 -2.701 -7.380 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.267 -0.333 -7.779 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.302 -3.050 -8.832 1.00 0.00 C ATOM 0 H ILE A 86 -8.352 -3.577 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.132 -1.039 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.556 -2.030 -7.686 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.623 -2.314 -6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.797 -3.610 -6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.046 -0.461 -8.839 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.088 0.374 -7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.384 0.050 -7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.499 -3.784 -8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.212 -3.467 -9.264 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.019 -2.151 -9.380 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.379 -1.269 -5.437 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.635 -0.543 -5.285 1.00 0.00 C ATOM 1324 C GLU A 87 -11.744 0.076 -3.896 1.00 0.00 C ATOM 1325 O GLU A 87 -12.231 1.195 -3.741 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.821 -1.476 -5.535 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.213 -1.585 -7.000 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.692 -1.337 -7.228 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.265 -0.479 -6.525 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.275 -2.000 -8.111 1.00 0.00 O ATOM 0 H GLU A 87 -10.479 -2.283 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.651 0.260 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.577 -2.469 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.679 -1.121 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.634 -0.867 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.954 -2.577 -7.369 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.287 -0.661 -2.888 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.335 -0.183 -1.511 1.00 0.00 C ATOM 1339 C VAL A 88 -10.531 1.103 -1.347 1.00 0.00 C ATOM 1340 O VAL A 88 -10.888 1.971 -0.551 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.793 -1.240 -0.530 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -11.050 -0.815 0.907 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.417 -2.600 -0.812 1.00 0.00 C ATOM 0 H VAL A 88 -10.880 -1.590 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.382 0.013 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.716 -1.324 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.661 -1.574 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.552 0.135 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.122 -0.701 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.022 -3.334 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.499 -2.534 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.177 -2.906 -1.830 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.446 1.218 -2.105 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.593 2.398 -2.042 1.00 0.00 C ATOM 1355 C ILE A 89 -9.245 3.585 -2.744 1.00 0.00 C ATOM 1356 O ILE A 89 -9.395 4.658 -2.159 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.216 2.131 -2.681 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.613 0.841 -2.124 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.281 3.307 -2.438 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.353 0.405 -2.840 1.00 0.00 C ATOM 0 H ILE A 89 -9.137 0.509 -2.770 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.456 2.633 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.348 2.014 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.390 0.981 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.354 0.044 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.313 3.103 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.708 4.208 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.152 3.454 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.980 -0.516 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.574 0.233 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.596 1.184 -2.751 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.633 3.384 -3.999 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.271 4.439 -4.779 1.00 0.00 C ATOM 1374 C GLN A 90 -11.569 4.893 -4.119 1.00 0.00 C ATOM 1375 O GLN A 90 -11.957 6.057 -4.226 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.552 3.951 -6.202 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.322 3.938 -7.094 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.564 3.223 -8.410 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -9.395 3.800 -9.483 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.963 1.958 -8.331 1.00 0.00 N ATOM 0 H GLN A 90 -9.517 2.502 -4.497 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.589 5.288 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.968 2.945 -6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.311 4.590 -6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.011 4.964 -7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.500 3.453 -6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.090 1.519 -7.419 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.142 1.426 -9.182 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.237 3.967 -3.440 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.491 4.271 -2.764 1.00 0.00 C ATOM 1391 C ALA A 91 -13.286 5.307 -1.664 1.00 0.00 C ATOM 1392 O ALA A 91 -14.179 6.106 -1.375 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.100 3.002 -2.187 1.00 0.00 C ATOM 0 H ALA A 91 -11.930 2.999 -3.344 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.178 4.691 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.037 3.244 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.292 2.292 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.408 2.559 -1.471 1.00 0.00 H new