USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 552 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 81 ASN : amide:sc= -0.357 X(o=-1.9,f=-1.7) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.656 X(o=-1.9,f=-1.7) USER MOD Set 1.3: A 92 SER OG : rot -130:sc= -0.929 USER MOD Set 2.1: A 52 SER OG : rot -56:sc= 0.421 USER MOD Set 2.2: A 78 TYR OH : rot 35:sc= 1.47 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00399 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.121 K(o=-0.12,f=-2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.129 F(o=-2,f=-0.13) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -0.089 (180deg=-0.517) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.05 F(o=-2.1,f=-1) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 54 SER OG : rot 180:sc= -0.631 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.63) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -121:sc= -1.93! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -49:sc= 0.639 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 -0.247 15.490 1.712 1.00 0.00 N ATOM 102 CA PRO A 11 -0.554 14.057 1.715 1.00 0.00 C ATOM 103 C PRO A 11 -1.843 13.739 0.964 1.00 0.00 C ATOM 104 O PRO A 11 -2.197 12.574 0.784 1.00 0.00 O ATOM 105 CB PRO A 11 -0.709 13.730 3.202 1.00 0.00 C ATOM 106 CG PRO A 11 -1.100 15.021 3.835 1.00 0.00 C ATOM 107 CD PRO A 11 -0.407 16.096 3.044 1.00 0.00 C ATOM 0 HA PRO A 11 0.219 13.474 1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.468 12.965 3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.221 13.349 3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.181 15.155 3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.797 15.050 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.000 17.009 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.555 16.361 3.483 1.00 0.00 H new ATOM 115 N SER A 12 -2.540 14.783 0.526 1.00 0.00 N ATOM 116 CA SER A 12 -3.791 14.615 -0.204 1.00 0.00 C ATOM 117 C SER A 12 -3.526 14.350 -1.683 1.00 0.00 C ATOM 118 O SER A 12 -4.183 13.512 -2.301 1.00 0.00 O ATOM 119 CB SER A 12 -4.669 15.858 -0.046 1.00 0.00 C ATOM 120 OG SER A 12 -3.953 17.034 -0.381 1.00 0.00 O ATOM 0 H SER A 12 -2.259 15.754 0.664 1.00 0.00 H new ATOM 0 HA SER A 12 -4.314 13.754 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.548 15.770 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.026 15.926 0.981 1.00 0.00 H new ATOM 0 HG SER A 12 -4.536 17.814 -0.274 1.00 0.00 H new ATOM 126 N ARG A 13 -2.560 15.070 -2.242 1.00 0.00 N ATOM 127 CA ARG A 13 -2.208 14.914 -3.649 1.00 0.00 C ATOM 128 C ARG A 13 -1.762 13.485 -3.943 1.00 0.00 C ATOM 129 O ARG A 13 -1.784 13.040 -5.090 1.00 0.00 O ATOM 130 CB ARG A 13 -1.097 15.895 -4.030 1.00 0.00 C ATOM 131 CG ARG A 13 -1.482 17.353 -3.843 1.00 0.00 C ATOM 132 CD ARG A 13 -2.115 17.928 -5.100 1.00 0.00 C ATOM 133 NE ARG A 13 -3.565 17.756 -5.112 1.00 0.00 N ATOM 134 CZ ARG A 13 -4.406 18.567 -4.481 1.00 0.00 C ATOM 135 NH1 ARG A 13 -3.944 19.603 -3.793 1.00 0.00 N ATOM 136 NH2 ARG A 13 -5.713 18.345 -4.538 1.00 0.00 N ATOM 0 H ARG A 13 -2.007 15.767 -1.743 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.095 15.129 -4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.213 15.681 -3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.821 15.732 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.179 17.442 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.597 17.933 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.875 18.989 -5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.685 17.443 -5.976 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.953 16.970 -5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.940 19.778 -3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.593 20.224 -3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.073 17.551 -5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.358 18.969 -4.053 1.00 0.00 H new ATOM 150 N VAL A 14 -1.358 12.770 -2.898 1.00 0.00 N ATOM 151 CA VAL A 14 -0.908 11.391 -3.043 1.00 0.00 C ATOM 152 C VAL A 14 -2.028 10.499 -3.568 1.00 0.00 C ATOM 153 O VAL A 14 -3.193 10.678 -3.214 1.00 0.00 O ATOM 154 CB VAL A 14 -0.398 10.822 -1.705 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.200 9.439 -1.906 1.00 0.00 C ATOM 156 CG2 VAL A 14 0.617 11.766 -1.078 1.00 0.00 C ATOM 0 H VAL A 14 -1.333 13.123 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.088 11.400 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.243 10.729 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.555 9.054 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.560 8.769 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.035 9.501 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.967 11.349 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.462 11.893 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.150 12.734 -0.896 1.00 0.00 H new ATOM 166 N GLN A 15 -1.666 9.539 -4.412 1.00 0.00 N ATOM 167 CA GLN A 15 -2.641 8.619 -4.986 1.00 0.00 C ATOM 168 C GLN A 15 -2.131 7.183 -4.934 1.00 0.00 C ATOM 169 O GLN A 15 -0.995 6.903 -5.316 1.00 0.00 O ATOM 170 CB GLN A 15 -2.954 9.010 -6.431 1.00 0.00 C ATOM 171 CG GLN A 15 -3.423 10.448 -6.584 1.00 0.00 C ATOM 172 CD GLN A 15 -3.864 10.770 -7.999 1.00 0.00 C ATOM 173 OE1 GLN A 15 -4.988 10.464 -8.396 1.00 0.00 O ATOM 174 NE2 GLN A 15 -2.978 11.391 -8.768 1.00 0.00 N ATOM 0 H GLN A 15 -0.705 9.378 -4.714 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.554 8.682 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.063 8.860 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.722 8.342 -6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.251 10.631 -5.899 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.616 11.122 -6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.057 11.626 -8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.218 11.633 -9.729 1.00 0.00 H new ATOM 183 N ALA A 16 -2.978 6.276 -4.459 1.00 0.00 N ATOM 184 CA ALA A 16 -2.613 4.868 -4.359 1.00 0.00 C ATOM 185 C ALA A 16 -3.641 3.984 -5.057 1.00 0.00 C ATOM 186 O ALA A 16 -4.819 3.988 -4.702 1.00 0.00 O ATOM 187 CB ALA A 16 -2.470 4.462 -2.899 1.00 0.00 C ATOM 0 H ALA A 16 -3.922 6.491 -4.137 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.654 4.730 -4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.197 3.408 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.694 5.065 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.417 4.622 -2.383 1.00 0.00 H new ATOM 193 N GLN A 17 -3.186 3.227 -6.050 1.00 0.00 N ATOM 194 CA GLN A 17 -4.067 2.339 -6.799 1.00 0.00 C ATOM 195 C GLN A 17 -3.338 1.062 -7.202 1.00 0.00 C ATOM 196 O GLN A 17 -2.109 1.004 -7.183 1.00 0.00 O ATOM 197 CB GLN A 17 -4.604 3.048 -8.043 1.00 0.00 C ATOM 198 CG GLN A 17 -3.518 3.457 -9.026 1.00 0.00 C ATOM 199 CD GLN A 17 -3.897 4.679 -9.839 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.727 5.486 -9.419 1.00 0.00 O ATOM 201 NE2 GLN A 17 -3.290 4.822 -11.011 1.00 0.00 N ATOM 0 H GLN A 17 -2.213 3.211 -6.354 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.903 2.070 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.312 2.391 -8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.157 3.935 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.597 3.660 -8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.312 2.626 -9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.608 4.129 -11.320 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.505 5.625 -11.602 1.00 0.00 H new ATOM 210 N GLY A 18 -4.105 0.038 -7.567 1.00 0.00 N ATOM 211 CA GLY A 18 -3.514 -1.225 -7.969 1.00 0.00 C ATOM 212 C GLY A 18 -4.176 -2.413 -7.300 1.00 0.00 C ATOM 213 O GLY A 18 -5.163 -2.276 -6.577 1.00 0.00 O ATOM 0 H GLY A 18 -5.124 0.061 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.592 -1.331 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.452 -1.220 -7.725 1.00 0.00 H new ATOM 217 N PRO A 19 -3.628 -3.614 -7.542 1.00 0.00 N ATOM 218 CA PRO A 19 -4.156 -4.855 -6.967 1.00 0.00 C ATOM 219 C PRO A 19 -3.924 -4.942 -5.463 1.00 0.00 C ATOM 220 O PRO A 19 -4.837 -5.262 -4.702 1.00 0.00 O ATOM 221 CB PRO A 19 -3.367 -5.946 -7.695 1.00 0.00 C ATOM 222 CG PRO A 19 -2.097 -5.285 -8.106 1.00 0.00 C ATOM 223 CD PRO A 19 -2.450 -3.852 -8.393 1.00 0.00 C ATOM 0 HA PRO A 19 -5.236 -4.935 -7.092 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.177 -6.799 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.915 -6.322 -8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.349 -5.352 -7.316 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.674 -5.767 -8.987 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.631 -3.178 -8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.678 -3.698 -9.448 1.00 0.00 H new ATOM 231 N GLY A 20 -2.696 -4.656 -5.040 1.00 0.00 N ATOM 232 CA GLY A 20 -2.367 -4.708 -3.628 1.00 0.00 C ATOM 233 C GLY A 20 -3.309 -3.875 -2.782 1.00 0.00 C ATOM 234 O GLY A 20 -3.342 -4.011 -1.558 1.00 0.00 O ATOM 0 H GLY A 20 -1.924 -4.389 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.398 -5.743 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.346 -4.356 -3.483 1.00 0.00 H new ATOM 238 N LEU A 21 -4.076 -3.008 -3.433 1.00 0.00 N ATOM 239 CA LEU A 21 -5.022 -2.147 -2.733 1.00 0.00 C ATOM 240 C LEU A 21 -6.456 -2.615 -2.961 1.00 0.00 C ATOM 241 O LEU A 21 -7.331 -2.402 -2.121 1.00 0.00 O ATOM 242 CB LEU A 21 -4.866 -0.698 -3.199 1.00 0.00 C ATOM 243 CG LEU A 21 -3.455 -0.116 -3.120 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.424 1.291 -3.697 1.00 0.00 C ATOM 245 CD2 LEU A 21 -2.959 -0.115 -1.681 1.00 0.00 C ATOM 0 H LEU A 21 -4.061 -2.883 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.806 -2.204 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.208 -0.631 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.530 -0.072 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.790 -0.744 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.411 1.689 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.737 1.263 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.102 1.931 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.953 0.303 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.626 0.490 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.942 -1.137 -1.301 1.00 0.00 H new ATOM 257 N LYS A 22 -6.690 -3.256 -4.101 1.00 0.00 N ATOM 258 CA LYS A 22 -8.016 -3.758 -4.439 1.00 0.00 C ATOM 259 C LYS A 22 -8.212 -5.176 -3.911 1.00 0.00 C ATOM 260 O LYS A 22 -9.147 -5.443 -3.158 1.00 0.00 O ATOM 261 CB LYS A 22 -8.222 -3.734 -5.955 1.00 0.00 C ATOM 262 CG LYS A 22 -8.510 -2.349 -6.508 1.00 0.00 C ATOM 263 CD LYS A 22 -8.885 -2.403 -7.979 1.00 0.00 C ATOM 264 CE LYS A 22 -10.317 -2.880 -8.172 1.00 0.00 C ATOM 265 NZ LYS A 22 -10.556 -3.370 -9.558 1.00 0.00 N ATOM 0 H LYS A 22 -5.977 -3.440 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.754 -3.108 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.331 -4.132 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.048 -4.397 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.321 -1.891 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.633 -1.715 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.767 -1.414 -8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.204 -3.072 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.533 -3.679 -7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.005 -2.063 -7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.543 -3.686 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.375 -2.601 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.918 -4.166 -9.760 1.00 0.00 H new ATOM 279 N GLU A 23 -7.322 -6.079 -4.311 1.00 0.00 N ATOM 280 CA GLU A 23 -7.398 -7.469 -3.876 1.00 0.00 C ATOM 281 C GLU A 23 -6.005 -8.036 -3.619 1.00 0.00 C ATOM 282 O GLU A 23 -5.026 -7.606 -4.229 1.00 0.00 O ATOM 283 CB GLU A 23 -8.119 -8.316 -4.927 1.00 0.00 C ATOM 284 CG GLU A 23 -7.757 -9.791 -4.873 1.00 0.00 C ATOM 285 CD GLU A 23 -8.769 -10.666 -5.587 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.191 -10.298 -6.702 1.00 0.00 O ATOM 287 OE2 GLU A 23 -9.137 -11.721 -5.029 1.00 0.00 O ATOM 0 H GLU A 23 -6.541 -5.873 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.962 -7.501 -2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.195 -8.209 -4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.883 -7.929 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.775 -9.937 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.681 -10.105 -3.832 1.00 0.00 H new ATOM 294 N ALA A 24 -5.924 -9.003 -2.711 1.00 0.00 N ATOM 295 CA ALA A 24 -4.653 -9.630 -2.373 1.00 0.00 C ATOM 296 C ALA A 24 -4.831 -11.119 -2.098 1.00 0.00 C ATOM 297 O ALA A 24 -5.954 -11.615 -2.014 1.00 0.00 O ATOM 298 CB ALA A 24 -4.027 -8.939 -1.170 1.00 0.00 C ATOM 0 H ALA A 24 -6.725 -9.369 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.985 -9.523 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.078 -9.418 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.854 -7.888 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.700 -9.015 -0.316 1.00 0.00 H new ATOM 304 N PHE A 25 -3.715 -11.828 -1.957 1.00 0.00 N ATOM 305 CA PHE A 25 -3.748 -13.261 -1.693 1.00 0.00 C ATOM 306 C PHE A 25 -2.658 -13.657 -0.701 1.00 0.00 C ATOM 307 O PHE A 25 -1.703 -12.911 -0.480 1.00 0.00 O ATOM 308 CB PHE A 25 -3.578 -14.046 -2.995 1.00 0.00 C ATOM 309 CG PHE A 25 -4.867 -14.267 -3.734 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.336 -13.323 -4.633 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.608 -15.420 -3.531 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.522 -13.523 -5.314 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.795 -15.626 -4.210 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.252 -14.677 -5.103 1.00 0.00 C ATOM 0 H PHE A 25 -2.777 -11.433 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.717 -13.502 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.883 -13.512 -3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.126 -15.012 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.768 -12.420 -4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.255 -16.166 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.878 -12.778 -6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.364 -16.528 -4.042 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.178 -14.836 -5.635 1.00 0.00 H new ATOM 324 N THR A 26 -2.807 -14.836 -0.106 1.00 0.00 N ATOM 325 CA THR A 26 -1.838 -15.331 0.863 1.00 0.00 C ATOM 326 C THR A 26 -0.570 -15.820 0.172 1.00 0.00 C ATOM 327 O THR A 26 -0.634 -16.545 -0.820 1.00 0.00 O ATOM 328 CB THR A 26 -2.423 -16.477 1.709 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.912 -17.517 0.853 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.550 -15.973 2.598 1.00 0.00 C ATOM 0 H THR A 26 -3.590 -15.466 -0.279 1.00 0.00 H new ATOM 0 HA THR A 26 -1.592 -14.495 1.518 1.00 0.00 H new ATOM 0 HB THR A 26 -1.630 -16.872 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.281 -18.243 1.398 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.947 -16.800 3.186 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.168 -15.202 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.343 -15.555 1.978 1.00 0.00 H new ATOM 338 N ASN A 27 0.581 -15.419 0.703 1.00 0.00 N ATOM 339 CA ASN A 27 1.864 -15.818 0.136 1.00 0.00 C ATOM 340 C ASN A 27 1.949 -15.438 -1.339 1.00 0.00 C ATOM 341 O ASN A 27 2.517 -16.171 -2.149 1.00 0.00 O ATOM 342 CB ASN A 27 2.070 -17.325 0.299 1.00 0.00 C ATOM 343 CG ASN A 27 2.189 -17.739 1.753 1.00 0.00 C ATOM 344 OD1 ASN A 27 1.130 -17.511 2.521 1.00 0.00 O flip ATOM 345 ND2 ASN A 27 3.220 -18.258 2.180 1.00 0.00 N flip ATOM 0 H ASN A 27 0.651 -14.818 1.525 1.00 0.00 H new ATOM 0 HA ASN A 27 2.651 -15.290 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.235 -17.855 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.971 -17.626 -0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.010 -18.414 1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.285 -18.532 3.160 1.00 0.00 H new ATOM 352 N LYS A 28 1.380 -14.287 -1.681 1.00 0.00 N ATOM 353 CA LYS A 28 1.392 -13.807 -3.058 1.00 0.00 C ATOM 354 C LYS A 28 1.915 -12.376 -3.130 1.00 0.00 C ATOM 355 O LYS A 28 1.646 -11.546 -2.262 1.00 0.00 O ATOM 356 CB LYS A 28 -0.015 -13.878 -3.657 1.00 0.00 C ATOM 357 CG LYS A 28 -0.398 -15.263 -4.148 1.00 0.00 C ATOM 358 CD LYS A 28 -1.360 -15.192 -5.322 1.00 0.00 C ATOM 359 CE LYS A 28 -0.618 -15.130 -6.648 1.00 0.00 C ATOM 360 NZ LYS A 28 0.116 -16.395 -6.932 1.00 0.00 N ATOM 0 H LYS A 28 0.905 -13.669 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 28 2.058 -14.449 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.737 -13.555 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.083 -13.176 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.499 -15.806 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.857 -15.825 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.014 -16.064 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.997 -14.314 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.327 -14.933 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.085 -14.298 -6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.260 -16.490 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.039 -16.376 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.438 -17.203 -6.583 1.00 0.00 H new ATOM 374 N PRO A 29 2.680 -12.077 -4.191 1.00 0.00 N ATOM 375 CA PRO A 29 3.255 -10.746 -4.403 1.00 0.00 C ATOM 376 C PRO A 29 2.195 -9.706 -4.751 1.00 0.00 C ATOM 377 O PRO A 29 1.607 -9.742 -5.831 1.00 0.00 O ATOM 378 CB PRO A 29 4.207 -10.954 -5.583 1.00 0.00 C ATOM 379 CG PRO A 29 3.654 -12.129 -6.313 1.00 0.00 C ATOM 380 CD PRO A 29 3.042 -13.017 -5.266 1.00 0.00 C ATOM 0 HA PRO A 29 3.743 -10.366 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.244 -10.072 -6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.225 -11.143 -5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.909 -11.818 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.438 -12.653 -6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.169 -13.546 -5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.746 -13.773 -4.919 1.00 0.00 H new ATOM 388 N ASN A 30 1.958 -8.778 -3.829 1.00 0.00 N ATOM 389 CA ASN A 30 0.969 -7.727 -4.038 1.00 0.00 C ATOM 390 C ASN A 30 1.631 -6.353 -4.056 1.00 0.00 C ATOM 391 O ASN A 30 2.323 -5.973 -3.112 1.00 0.00 O ATOM 392 CB ASN A 30 -0.099 -7.778 -2.944 1.00 0.00 C ATOM 393 CG ASN A 30 -0.392 -9.193 -2.486 1.00 0.00 C ATOM 394 OD1 ASN A 30 0.222 -9.596 -1.380 1.00 0.00 O flip ATOM 395 ND2 ASN A 30 -1.161 -9.916 -3.120 1.00 0.00 N flip ATOM 0 H ASN A 30 2.438 -8.733 -2.930 1.00 0.00 H new ATOM 0 HA ASN A 30 0.496 -7.895 -5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.230 -7.184 -2.091 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.017 -7.322 -3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.611 -9.565 -3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.348 -10.866 -2.800 1.00 0.00 H new ATOM 402 N VAL A 31 1.412 -5.611 -5.137 1.00 0.00 N ATOM 403 CA VAL A 31 1.986 -4.278 -5.278 1.00 0.00 C ATOM 404 C VAL A 31 0.940 -3.278 -5.759 1.00 0.00 C ATOM 405 O VAL A 31 -0.165 -3.657 -6.147 1.00 0.00 O ATOM 406 CB VAL A 31 3.171 -4.278 -6.261 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.204 -5.318 -5.853 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.685 -4.525 -7.681 1.00 0.00 C ATOM 0 H VAL A 31 0.841 -5.910 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 31 2.343 -3.981 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 31 3.646 -3.298 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.034 -5.303 -6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.574 -5.090 -4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.745 -6.307 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.536 -4.522 -8.362 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.184 -5.492 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.987 -3.739 -7.969 1.00 0.00 H new ATOM 418 N PHE A 32 1.297 -1.998 -5.731 1.00 0.00 N ATOM 419 CA PHE A 32 0.389 -0.942 -6.165 1.00 0.00 C ATOM 420 C PHE A 32 1.167 0.285 -6.632 1.00 0.00 C ATOM 421 O PHE A 32 2.322 0.484 -6.255 1.00 0.00 O ATOM 422 CB PHE A 32 -0.559 -0.557 -5.027 1.00 0.00 C ATOM 423 CG PHE A 32 0.134 -0.364 -3.708 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.326 -1.434 -2.849 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.594 0.886 -3.329 1.00 0.00 C ATOM 426 CE1 PHE A 32 0.962 -1.259 -1.635 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.231 1.067 -2.116 1.00 0.00 C ATOM 428 CZ PHE A 32 1.417 -0.007 -1.268 1.00 0.00 C ATOM 0 H PHE A 32 2.208 -1.667 -5.413 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.196 -1.320 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.078 0.363 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.318 -1.332 -4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.025 -2.415 -3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.453 1.729 -3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.103 -2.101 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.583 2.048 -1.831 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.917 0.131 -0.321 1.00 0.00 H new ATOM 438 N THR A 33 0.524 1.107 -7.456 1.00 0.00 N ATOM 439 CA THR A 33 1.154 2.314 -7.976 1.00 0.00 C ATOM 440 C THR A 33 0.894 3.507 -7.064 1.00 0.00 C ATOM 441 O THR A 33 -0.250 3.794 -6.710 1.00 0.00 O ATOM 442 CB THR A 33 0.647 2.646 -9.393 1.00 0.00 C ATOM 443 OG1 THR A 33 0.867 1.532 -10.265 1.00 0.00 O ATOM 444 CG2 THR A 33 1.352 3.876 -9.945 1.00 0.00 C ATOM 0 H THR A 33 -0.433 0.959 -7.777 1.00 0.00 H new ATOM 0 HA THR A 33 2.226 2.118 -8.017 1.00 0.00 H new ATOM 0 HB THR A 33 -0.421 2.855 -9.334 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.541 1.750 -11.163 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.978 4.091 -10.946 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.159 4.729 -9.294 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.425 3.690 -9.991 1.00 0.00 H new ATOM 452 N VAL A 34 1.963 4.201 -6.685 1.00 0.00 N ATOM 453 CA VAL A 34 1.850 5.365 -5.815 1.00 0.00 C ATOM 454 C VAL A 34 2.394 6.615 -6.496 1.00 0.00 C ATOM 455 O VAL A 34 3.604 6.772 -6.656 1.00 0.00 O ATOM 456 CB VAL A 34 2.603 5.148 -4.488 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.508 6.388 -3.612 1.00 0.00 C ATOM 458 CG2 VAL A 34 2.059 3.928 -3.760 1.00 0.00 C ATOM 0 H VAL A 34 2.917 3.977 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 34 0.789 5.502 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 34 3.655 4.970 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.045 6.217 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.949 7.237 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.461 6.600 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.602 3.790 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.000 4.074 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.184 3.045 -4.386 1.00 0.00 H new ATOM 468 N VAL A 35 1.490 7.505 -6.896 1.00 0.00 N ATOM 469 CA VAL A 35 1.878 8.743 -7.560 1.00 0.00 C ATOM 470 C VAL A 35 2.060 9.873 -6.552 1.00 0.00 C ATOM 471 O VAL A 35 1.110 10.283 -5.884 1.00 0.00 O ATOM 472 CB VAL A 35 0.835 9.169 -8.609 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.251 10.469 -9.280 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.636 8.068 -9.640 1.00 0.00 C ATOM 0 H VAL A 35 0.484 7.391 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 35 2.827 8.549 -8.061 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.115 9.338 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.501 10.754 -10.018 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.338 11.254 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.213 10.332 -9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.105 8.386 -10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.582 7.865 -10.143 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.288 7.162 -9.143 1.00 0.00 H new ATOM 484 N THR A 36 3.286 10.374 -6.447 1.00 0.00 N ATOM 485 CA THR A 36 3.593 11.457 -5.521 1.00 0.00 C ATOM 486 C THR A 36 4.318 12.597 -6.227 1.00 0.00 C ATOM 487 O THR A 36 5.226 13.210 -5.666 1.00 0.00 O ATOM 488 CB THR A 36 4.459 10.963 -4.347 1.00 0.00 C ATOM 489 OG1 THR A 36 5.567 10.202 -4.841 1.00 0.00 O ATOM 490 CG2 THR A 36 3.639 10.111 -3.390 1.00 0.00 C ATOM 0 H THR A 36 4.084 10.047 -6.992 1.00 0.00 H new ATOM 0 HA THR A 36 2.641 11.821 -5.134 1.00 0.00 H new ATOM 0 HB THR A 36 4.829 11.834 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.113 9.893 -4.088 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.272 9.774 -2.569 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.814 10.702 -2.993 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.243 9.246 -3.922 1.00 0.00 H new ATOM 579 N LEU A 44 8.344 8.895 2.945 1.00 0.00 N ATOM 580 CA LEU A 44 7.124 8.096 2.913 1.00 0.00 C ATOM 581 C LEU A 44 7.307 6.793 3.684 1.00 0.00 C ATOM 582 O LEU A 44 8.394 6.216 3.701 1.00 0.00 O ATOM 583 CB LEU A 44 6.727 7.794 1.467 1.00 0.00 C ATOM 584 CG LEU A 44 5.511 6.885 1.281 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.227 7.643 1.580 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.481 6.317 -0.131 1.00 0.00 C ATOM 0 HA LEU A 44 6.330 8.671 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.530 8.739 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.579 7.335 0.966 1.00 0.00 H new ATOM 0 HG LEU A 44 5.591 6.055 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.373 6.980 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.247 8.000 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.140 8.493 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.609 5.673 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.426 7.134 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.387 5.737 -0.309 1.00 0.00 H new ATOM 598 N GLY A 45 6.235 6.332 4.322 1.00 0.00 N ATOM 599 CA GLY A 45 6.297 5.100 5.085 1.00 0.00 C ATOM 600 C GLY A 45 5.087 4.216 4.859 1.00 0.00 C ATOM 601 O GLY A 45 3.989 4.525 5.323 1.00 0.00 O ATOM 0 H GLY A 45 5.324 6.791 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.199 4.552 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.377 5.337 6.146 1.00 0.00 H new ATOM 605 N ILE A 46 5.286 3.114 4.143 1.00 0.00 N ATOM 606 CA ILE A 46 4.202 2.183 3.856 1.00 0.00 C ATOM 607 C ILE A 46 4.349 0.900 4.667 1.00 0.00 C ATOM 608 O ILE A 46 5.399 0.256 4.646 1.00 0.00 O ATOM 609 CB ILE A 46 4.146 1.828 2.359 1.00 0.00 C ATOM 610 CG1 ILE A 46 4.061 3.100 1.513 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.962 0.916 2.074 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.321 2.866 0.041 1.00 0.00 C ATOM 0 H ILE A 46 6.188 2.844 3.751 1.00 0.00 H new ATOM 0 HA ILE A 46 3.275 2.683 4.137 1.00 0.00 H new ATOM 0 HB ILE A 46 5.060 1.298 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.071 3.541 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.781 3.826 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.936 0.674 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.062 -0.002 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.038 1.422 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.244 3.811 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.321 2.454 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.585 2.164 -0.351 1.00 0.00 H new ATOM 624 N THR A 47 3.290 0.532 5.380 1.00 0.00 N ATOM 625 CA THR A 47 3.300 -0.674 6.198 1.00 0.00 C ATOM 626 C THR A 47 2.018 -1.477 6.010 1.00 0.00 C ATOM 627 O THR A 47 1.038 -0.980 5.454 1.00 0.00 O ATOM 628 CB THR A 47 3.469 -0.339 7.692 1.00 0.00 C ATOM 629 OG1 THR A 47 2.476 0.610 8.096 1.00 0.00 O ATOM 630 CG2 THR A 47 4.856 0.221 7.967 1.00 0.00 C ATOM 0 H THR A 47 2.413 1.053 5.408 1.00 0.00 H new ATOM 0 HA THR A 47 4.151 -1.271 5.869 1.00 0.00 H new ATOM 0 HB THR A 47 3.346 -1.258 8.265 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.589 0.817 9.047 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.952 0.450 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.608 -0.516 7.685 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.003 1.131 7.385 1.00 0.00 H new ATOM 638 N VAL A 48 2.030 -2.721 6.479 1.00 0.00 N ATOM 639 CA VAL A 48 0.866 -3.592 6.364 1.00 0.00 C ATOM 640 C VAL A 48 0.529 -4.238 7.704 1.00 0.00 C ATOM 641 O VAL A 48 1.417 -4.697 8.422 1.00 0.00 O ATOM 642 CB VAL A 48 1.093 -4.697 5.316 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.064 -5.684 5.321 1.00 0.00 C ATOM 644 CG2 VAL A 48 1.281 -4.090 3.934 1.00 0.00 C ATOM 0 H VAL A 48 2.832 -3.148 6.942 1.00 0.00 H new ATOM 0 HA VAL A 48 0.032 -2.966 6.046 1.00 0.00 H new ATOM 0 HB VAL A 48 2.002 -5.239 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.114 -6.457 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.146 -6.143 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.990 -5.160 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.440 -4.885 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.391 -3.522 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.146 -3.427 3.942 1.00 0.00 H new ATOM 654 N GLU A 49 -0.758 -4.270 8.032 1.00 0.00 N ATOM 655 CA GLU A 49 -1.212 -4.860 9.286 1.00 0.00 C ATOM 656 C GLU A 49 -2.213 -5.982 9.028 1.00 0.00 C ATOM 657 O GLU A 49 -3.199 -5.798 8.316 1.00 0.00 O ATOM 658 CB GLU A 49 -1.845 -3.791 10.179 1.00 0.00 C ATOM 659 CG GLU A 49 -0.860 -2.741 10.663 1.00 0.00 C ATOM 660 CD GLU A 49 -1.361 -1.988 11.880 1.00 0.00 C ATOM 661 OE1 GLU A 49 -2.038 -2.611 12.725 1.00 0.00 O ATOM 662 OE2 GLU A 49 -1.078 -0.777 11.988 1.00 0.00 O ATOM 0 H GLU A 49 -1.505 -3.895 7.447 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.345 -5.281 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.647 -3.299 9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.301 -4.275 11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.089 -3.221 10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.664 -2.033 9.858 1.00 0.00 H new ATOM 669 N GLY A 50 -1.951 -7.147 9.614 1.00 0.00 N ATOM 670 CA GLY A 50 -2.838 -8.283 9.435 1.00 0.00 C ATOM 671 C GLY A 50 -2.616 -9.360 10.478 1.00 0.00 C ATOM 672 O GLY A 50 -1.860 -9.184 11.433 1.00 0.00 O ATOM 0 H GLY A 50 -1.142 -7.324 10.209 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.873 -7.943 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.686 -8.706 8.442 1.00 0.00 H new ATOM 676 N PRO A 51 -3.289 -10.507 10.302 1.00 0.00 N ATOM 677 CA PRO A 51 -3.179 -11.640 11.226 1.00 0.00 C ATOM 678 C PRO A 51 -1.814 -12.315 11.155 1.00 0.00 C ATOM 679 O PRO A 51 -1.569 -13.314 11.832 1.00 0.00 O ATOM 680 CB PRO A 51 -4.275 -12.596 10.747 1.00 0.00 C ATOM 681 CG PRO A 51 -4.465 -12.264 9.307 1.00 0.00 C ATOM 682 CD PRO A 51 -4.208 -10.787 9.186 1.00 0.00 C ATOM 0 HA PRO A 51 -3.289 -11.331 12.265 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.977 -13.636 10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.197 -12.455 11.311 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.777 -12.833 8.681 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.474 -12.513 8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.761 -10.535 8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.129 -10.211 9.270 1.00 0.00 H new ATOM 690 N SER A 52 -0.928 -11.764 10.332 1.00 0.00 N ATOM 691 CA SER A 52 0.412 -12.316 10.170 1.00 0.00 C ATOM 692 C SER A 52 1.358 -11.279 9.573 1.00 0.00 C ATOM 693 O SER A 52 0.946 -10.427 8.788 1.00 0.00 O ATOM 694 CB SER A 52 0.371 -13.559 9.279 1.00 0.00 C ATOM 695 OG SER A 52 0.091 -13.212 7.933 1.00 0.00 O ATOM 0 H SER A 52 -1.114 -10.936 9.767 1.00 0.00 H new ATOM 0 HA SER A 52 0.784 -12.597 11.155 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.327 -14.080 9.332 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.389 -14.249 9.646 1.00 0.00 H new ATOM 0 HG SER A 52 -0.752 -12.714 7.892 1.00 0.00 H new ATOM 701 N GLU A 53 2.630 -11.360 9.953 1.00 0.00 N ATOM 702 CA GLU A 53 3.635 -10.428 9.457 1.00 0.00 C ATOM 703 C GLU A 53 3.873 -10.629 7.963 1.00 0.00 C ATOM 704 O GLU A 53 4.224 -11.723 7.521 1.00 0.00 O ATOM 705 CB GLU A 53 4.949 -10.604 10.221 1.00 0.00 C ATOM 706 CG GLU A 53 6.037 -9.633 9.794 1.00 0.00 C ATOM 707 CD GLU A 53 7.084 -9.421 10.870 1.00 0.00 C ATOM 708 OE1 GLU A 53 6.700 -9.239 12.044 1.00 0.00 O ATOM 709 OE2 GLU A 53 8.288 -9.437 10.538 1.00 0.00 O ATOM 0 H GLU A 53 2.988 -12.061 10.602 1.00 0.00 H new ATOM 0 HA GLU A 53 3.263 -9.416 9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.759 -10.478 11.287 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.308 -11.623 10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.520 -10.008 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.584 -8.675 9.539 1.00 0.00 H new ATOM 716 N SER A 54 3.678 -9.565 7.190 1.00 0.00 N ATOM 717 CA SER A 54 3.867 -9.625 5.745 1.00 0.00 C ATOM 718 C SER A 54 5.221 -9.044 5.349 1.00 0.00 C ATOM 719 O SER A 54 5.688 -8.070 5.939 1.00 0.00 O ATOM 720 CB SER A 54 2.745 -8.868 5.031 1.00 0.00 C ATOM 721 OG SER A 54 1.472 -9.323 5.455 1.00 0.00 O ATOM 0 H SER A 54 3.389 -8.651 7.540 1.00 0.00 H new ATOM 0 HA SER A 54 3.839 -10.672 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.838 -7.801 5.231 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.841 -9.000 3.953 1.00 0.00 H new ATOM 0 HG SER A 54 0.773 -8.822 4.985 1.00 0.00 H new ATOM 727 N LYS A 55 5.846 -9.649 4.345 1.00 0.00 N ATOM 728 CA LYS A 55 7.146 -9.193 3.867 1.00 0.00 C ATOM 729 C LYS A 55 6.998 -7.960 2.982 1.00 0.00 C ATOM 730 O LYS A 55 6.706 -8.071 1.791 1.00 0.00 O ATOM 731 CB LYS A 55 7.847 -10.310 3.091 1.00 0.00 C ATOM 732 CG LYS A 55 8.700 -11.215 3.963 1.00 0.00 C ATOM 733 CD LYS A 55 9.665 -12.043 3.132 1.00 0.00 C ATOM 734 CE LYS A 55 9.964 -13.380 3.793 1.00 0.00 C ATOM 735 NZ LYS A 55 11.139 -13.298 4.704 1.00 0.00 N ATOM 0 H LYS A 55 5.473 -10.457 3.846 1.00 0.00 H new ATOM 0 HA LYS A 55 7.751 -8.926 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.096 -10.914 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.476 -9.865 2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.259 -10.611 4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.056 -11.877 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.242 -12.212 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.593 -11.490 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.091 -13.710 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.151 -14.131 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.310 -14.229 5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.978 -13.007 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.951 -12.600 5.452 1.00 0.00 H new ATOM 749 N ILE A 56 7.203 -6.786 3.571 1.00 0.00 N ATOM 750 CA ILE A 56 7.095 -5.533 2.835 1.00 0.00 C ATOM 751 C ILE A 56 8.445 -5.112 2.265 1.00 0.00 C ATOM 752 O ILE A 56 9.487 -5.336 2.880 1.00 0.00 O ATOM 753 CB ILE A 56 6.551 -4.401 3.726 1.00 0.00 C ATOM 754 CG1 ILE A 56 5.052 -4.589 3.968 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.825 -3.047 3.089 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.500 -3.698 5.059 1.00 0.00 C ATOM 0 H ILE A 56 7.445 -6.677 4.556 1.00 0.00 H new ATOM 0 HA ILE A 56 6.396 -5.707 2.017 1.00 0.00 H new ATOM 0 HB ILE A 56 7.063 -4.438 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.515 -4.390 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.862 -5.630 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.434 -2.257 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.900 -2.915 2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.337 -2.998 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.433 -3.885 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.011 -3.913 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.658 -2.653 4.791 1.00 0.00 H new ATOM 768 N ASN A 57 8.419 -4.499 1.086 1.00 0.00 N ATOM 769 CA ASN A 57 9.642 -4.045 0.433 1.00 0.00 C ATOM 770 C ASN A 57 9.364 -2.846 -0.468 1.00 0.00 C ATOM 771 O ASN A 57 8.683 -2.967 -1.487 1.00 0.00 O ATOM 772 CB ASN A 57 10.259 -5.180 -0.386 1.00 0.00 C ATOM 773 CG ASN A 57 10.875 -6.255 0.489 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.836 -6.004 1.216 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.323 -7.461 0.421 1.00 0.00 N ATOM 0 H ASN A 57 7.565 -4.305 0.563 1.00 0.00 H new ATOM 0 HA ASN A 57 10.346 -3.740 1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.492 -5.626 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.023 -4.773 -1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.695 -8.225 0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.527 -7.624 -0.196 1.00 0.00 H new ATOM 782 N CYS A 58 9.895 -1.690 -0.086 1.00 0.00 N ATOM 783 CA CYS A 58 9.704 -0.468 -0.859 1.00 0.00 C ATOM 784 C CYS A 58 10.860 -0.254 -1.831 1.00 0.00 C ATOM 785 O CYS A 58 11.984 -0.688 -1.580 1.00 0.00 O ATOM 786 CB CYS A 58 9.578 0.737 0.075 1.00 0.00 C ATOM 787 SG CYS A 58 7.897 1.038 0.668 1.00 0.00 S ATOM 0 H CYS A 58 10.461 -1.573 0.754 1.00 0.00 H new ATOM 0 HA CYS A 58 8.783 -0.571 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.233 0.588 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.933 1.626 -0.446 1.00 0.00 H new ATOM 0 HG CYS A 58 7.893 2.075 1.452 1.00 0.00 H new ATOM 895 N CYS A 66 6.267 5.932 -6.241 1.00 0.00 N ATOM 896 CA CYS A 66 6.755 5.028 -5.206 1.00 0.00 C ATOM 897 C CYS A 66 6.181 3.628 -5.391 1.00 0.00 C ATOM 898 O CYS A 66 4.996 3.466 -5.684 1.00 0.00 O ATOM 899 CB CYS A 66 6.391 5.563 -3.820 1.00 0.00 C ATOM 900 SG CYS A 66 7.175 4.671 -2.456 1.00 0.00 S ATOM 0 HA CYS A 66 7.840 4.969 -5.292 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.673 6.614 -3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.309 5.516 -3.697 1.00 0.00 H new ATOM 0 HG CYS A 66 6.259 4.181 -1.674 1.00 0.00 H new ATOM 906 N SER A 67 7.029 2.619 -5.222 1.00 0.00 N ATOM 907 CA SER A 67 6.608 1.231 -5.376 1.00 0.00 C ATOM 908 C SER A 67 6.717 0.480 -4.053 1.00 0.00 C ATOM 909 O SER A 67 7.775 0.458 -3.425 1.00 0.00 O ATOM 910 CB SER A 67 7.454 0.535 -6.443 1.00 0.00 C ATOM 911 OG SER A 67 6.904 0.725 -7.735 1.00 0.00 O ATOM 0 H SER A 67 8.012 2.736 -4.978 1.00 0.00 H new ATOM 0 HA SER A 67 5.564 1.226 -5.691 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.471 0.925 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.516 -0.531 -6.224 1.00 0.00 H new ATOM 0 HG SER A 67 7.464 0.272 -8.399 1.00 0.00 H new ATOM 917 N ALA A 68 5.616 -0.135 -3.636 1.00 0.00 N ATOM 918 CA ALA A 68 5.587 -0.890 -2.389 1.00 0.00 C ATOM 919 C ALA A 68 4.993 -2.278 -2.601 1.00 0.00 C ATOM 920 O ALA A 68 3.861 -2.414 -3.065 1.00 0.00 O ATOM 921 CB ALA A 68 4.799 -0.132 -1.332 1.00 0.00 C ATOM 0 H ALA A 68 4.731 -0.125 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 68 6.613 -1.012 -2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.785 -0.707 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.269 0.835 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.777 0.020 -1.680 1.00 0.00 H new ATOM 927 N GLU A 69 5.764 -3.306 -2.259 1.00 0.00 N ATOM 928 CA GLU A 69 5.312 -4.684 -2.414 1.00 0.00 C ATOM 929 C GLU A 69 5.223 -5.382 -1.060 1.00 0.00 C ATOM 930 O GLU A 69 6.081 -5.199 -0.197 1.00 0.00 O ATOM 931 CB GLU A 69 6.260 -5.454 -3.336 1.00 0.00 C ATOM 932 CG GLU A 69 7.675 -5.572 -2.793 1.00 0.00 C ATOM 933 CD GLU A 69 8.493 -6.621 -3.520 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.120 -7.811 -3.460 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.506 -6.251 -4.149 1.00 0.00 O ATOM 0 H GLU A 69 6.703 -3.211 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 69 4.318 -4.666 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.859 -6.454 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.292 -4.958 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.174 -4.606 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.634 -5.820 -1.732 1.00 0.00 H new ATOM 942 N TYR A 70 4.178 -6.183 -0.883 1.00 0.00 N ATOM 943 CA TYR A 70 3.973 -6.907 0.366 1.00 0.00 C ATOM 944 C TYR A 70 3.492 -8.330 0.099 1.00 0.00 C ATOM 945 O TYR A 70 2.854 -8.600 -0.919 1.00 0.00 O ATOM 946 CB TYR A 70 2.961 -6.172 1.247 1.00 0.00 C ATOM 947 CG TYR A 70 1.551 -6.198 0.700 1.00 0.00 C ATOM 948 CD1 TYR A 70 1.112 -5.224 -0.188 1.00 0.00 C ATOM 949 CD2 TYR A 70 0.659 -7.196 1.073 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.176 -5.244 -0.690 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.629 -7.224 0.575 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.042 -6.246 -0.305 1.00 0.00 C ATOM 953 OH TYR A 70 -2.325 -6.270 -0.802 1.00 0.00 O ATOM 0 H TYR A 70 3.460 -6.347 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 70 4.929 -6.958 0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.965 -6.619 2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.278 -5.136 1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.788 -4.438 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.978 -7.962 1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.502 -4.479 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.309 -8.008 0.873 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.729 -5.382 -0.708 1.00 0.00 H new ATOM 963 N ILE A 71 3.803 -9.235 1.020 1.00 0.00 N ATOM 964 CA ILE A 71 3.401 -10.630 0.886 1.00 0.00 C ATOM 965 C ILE A 71 2.944 -11.202 2.223 1.00 0.00 C ATOM 966 O ILE A 71 3.747 -11.497 3.108 1.00 0.00 O ATOM 967 CB ILE A 71 4.550 -11.496 0.336 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.986 -10.989 -1.041 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.124 -12.954 0.259 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.342 -11.503 -1.472 1.00 0.00 C ATOM 0 H ILE A 71 4.332 -9.028 1.867 1.00 0.00 H new ATOM 0 HA ILE A 71 2.570 -10.652 0.181 1.00 0.00 H new ATOM 0 HB ILE A 71 5.399 -11.421 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.242 -11.285 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.007 -9.899 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.947 -13.553 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.858 -13.308 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.262 -13.047 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.586 -11.104 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.097 -11.184 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.321 -12.592 -1.517 1.00 0.00 H new ATOM 982 N PRO A 72 1.621 -11.364 2.376 1.00 0.00 N ATOM 983 CA PRO A 72 1.026 -11.904 3.602 1.00 0.00 C ATOM 984 C PRO A 72 1.329 -13.387 3.788 1.00 0.00 C ATOM 985 O PRO A 72 1.827 -14.049 2.877 1.00 0.00 O ATOM 986 CB PRO A 72 -0.475 -11.687 3.394 1.00 0.00 C ATOM 987 CG PRO A 72 -0.651 -11.651 1.915 1.00 0.00 C ATOM 988 CD PRO A 72 0.604 -11.033 1.363 1.00 0.00 C ATOM 0 HA PRO A 72 1.421 -11.419 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.057 -12.492 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.808 -10.757 3.855 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.800 -12.654 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.528 -11.065 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.860 -11.446 0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.499 -9.956 1.236 1.00 0.00 H new ATOM 996 N PHE A 73 1.023 -13.904 4.974 1.00 0.00 N ATOM 997 CA PHE A 73 1.263 -15.310 5.280 1.00 0.00 C ATOM 998 C PHE A 73 -0.032 -16.006 5.688 1.00 0.00 C ATOM 999 O PHE A 73 -0.093 -17.233 5.763 1.00 0.00 O ATOM 1000 CB PHE A 73 2.300 -15.441 6.397 1.00 0.00 C ATOM 1001 CG PHE A 73 3.661 -14.931 6.014 1.00 0.00 C ATOM 1002 CD1 PHE A 73 3.835 -13.617 5.612 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.765 -15.767 6.057 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.085 -13.145 5.260 1.00 0.00 C ATOM 1005 CE2 PHE A 73 6.018 -15.300 5.707 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.178 -13.988 5.306 1.00 0.00 C ATOM 0 H PHE A 73 0.609 -13.371 5.738 1.00 0.00 H new ATOM 0 HA PHE A 73 1.646 -15.792 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.950 -14.895 7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.381 -16.489 6.685 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.984 -12.954 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.645 -16.795 6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.207 -12.118 4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.871 -15.961 5.747 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.156 -13.622 5.029 1.00 0.00 H new ATOM 1016 N ALA A 74 -1.065 -15.213 5.953 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.359 -15.752 6.353 1.00 0.00 C ATOM 1018 C ALA A 74 -3.501 -14.923 5.775 1.00 0.00 C ATOM 1019 O ALA A 74 -3.430 -13.697 5.692 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.461 -15.810 7.870 1.00 0.00 C ATOM 0 H ALA A 74 -1.031 -14.195 5.898 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.442 -16.764 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.432 -16.214 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.672 -16.451 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.352 -14.806 8.281 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.580 -15.606 5.365 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.758 -14.952 4.787 1.00 0.00 C ATOM 1028 C PRO A 75 -6.539 -14.147 5.821 1.00 0.00 C ATOM 1029 O PRO A 75 -6.718 -14.584 6.956 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.599 -16.124 4.276 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.188 -17.282 5.119 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.733 -17.069 5.434 1.00 0.00 C ATOM 0 HA PRO A 75 -5.487 -14.234 4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.665 -15.920 4.377 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.410 -16.316 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.782 -17.331 6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.339 -18.223 4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.475 -17.454 6.421 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.088 -17.575 4.716 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.002 -12.967 5.418 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.759 -12.120 6.321 1.00 0.00 C ATOM 1042 C GLY A 76 -7.933 -10.712 5.787 1.00 0.00 C ATOM 1043 O GLY A 76 -7.798 -10.476 4.587 1.00 0.00 O ATOM 0 H GLY A 76 -6.866 -12.583 4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.740 -12.563 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.253 -12.079 7.286 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.233 -9.776 6.680 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.427 -8.384 6.292 1.00 0.00 C ATOM 1049 C ASP A 77 -7.246 -7.526 6.737 1.00 0.00 C ATOM 1050 O ASP A 77 -7.098 -7.223 7.921 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.723 -7.839 6.893 1.00 0.00 C ATOM 1052 CG ASP A 77 -9.985 -8.376 8.286 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -9.023 -8.470 9.076 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -11.153 -8.702 8.587 1.00 0.00 O ATOM 0 H ASP A 77 -8.347 -9.956 7.678 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.495 -8.343 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.674 -6.751 6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.559 -8.099 6.243 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.408 -7.141 5.782 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.238 -6.322 6.076 1.00 0.00 C ATOM 1061 C TYR A 78 -5.542 -4.842 5.864 1.00 0.00 C ATOM 1062 O TYR A 78 -6.483 -4.485 5.155 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.060 -6.743 5.196 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.509 -8.110 5.535 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.298 -9.248 5.415 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.201 -8.264 5.976 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.800 -10.498 5.725 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.694 -9.511 6.287 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.497 -10.625 6.159 1.00 0.00 C ATOM 1070 OH TYR A 78 -1.996 -11.869 6.469 1.00 0.00 O ATOM 0 H TYR A 78 -6.517 -7.383 4.797 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.974 -6.474 7.122 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.376 -6.736 4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.263 -6.005 5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.318 -9.153 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.569 -7.394 6.078 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.427 -11.372 5.628 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.674 -9.613 6.628 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.383 -12.537 5.865 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.736 -3.985 6.482 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.916 -2.543 6.360 1.00 0.00 C ATOM 1082 C ASP A 79 -3.618 -1.868 5.930 1.00 0.00 C ATOM 1083 O ASP A 79 -2.720 -1.649 6.744 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.396 -1.954 7.688 1.00 0.00 C ATOM 1085 CG ASP A 79 -6.908 -1.928 7.797 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.531 -1.020 7.207 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.469 -2.816 8.471 1.00 0.00 O ATOM 0 H ASP A 79 -3.952 -4.264 7.072 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.671 -2.359 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.985 -2.539 8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.010 -0.940 7.793 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.525 -1.541 4.645 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.336 -0.890 4.106 1.00 0.00 C ATOM 1094 C VAL A 80 -2.203 0.534 4.632 1.00 0.00 C ATOM 1095 O VAL A 80 -2.999 1.409 4.293 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.365 -0.857 2.566 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -1.114 -0.182 2.024 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.508 -2.263 2.005 1.00 0.00 C ATOM 0 H VAL A 80 -4.258 -1.716 3.958 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.477 -1.476 4.434 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.230 -0.275 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.151 -0.168 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.061 0.840 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.232 -0.734 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.527 -2.220 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.664 -2.872 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.436 -2.706 2.367 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.190 0.760 5.463 1.00 0.00 N ATOM 1109 CA ASN A 81 -0.952 2.079 6.037 1.00 0.00 C ATOM 1110 C ASN A 81 0.077 2.852 5.216 1.00 0.00 C ATOM 1111 O ASN A 81 1.218 2.414 5.062 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.473 1.950 7.484 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.585 1.530 8.425 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.242 2.370 9.041 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.801 0.225 8.541 1.00 0.00 N ATOM 0 H ASN A 81 -0.521 0.047 5.754 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.892 2.630 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.335 1.221 7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.062 2.904 7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.536 -0.117 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.232 -0.435 8.011 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.335 4.001 4.693 1.00 0.00 N ATOM 1123 CA ILE A 82 0.551 4.835 3.890 1.00 0.00 C ATOM 1124 C ILE A 82 0.578 6.269 4.409 1.00 0.00 C ATOM 1125 O ILE A 82 -0.436 6.968 4.387 1.00 0.00 O ATOM 1126 CB ILE A 82 0.127 4.845 2.409 1.00 0.00 C ATOM 1127 CG1 ILE A 82 0.100 3.420 1.854 1.00 0.00 C ATOM 1128 CG2 ILE A 82 1.068 5.720 1.594 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -0.917 3.219 0.752 1.00 0.00 C ATOM 0 H ILE A 82 -1.276 4.376 4.811 1.00 0.00 H new ATOM 0 HA ILE A 82 1.549 4.403 3.971 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.878 5.261 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.090 3.168 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.115 2.726 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.755 5.717 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.040 6.740 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.083 5.331 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.880 2.186 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.914 3.439 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.690 3.887 -0.079 1.00 0.00 H new ATOM 1141 N THR A 83 1.745 6.702 4.876 1.00 0.00 N ATOM 1142 CA THR A 83 1.904 8.052 5.401 1.00 0.00 C ATOM 1143 C THR A 83 3.044 8.783 4.700 1.00 0.00 C ATOM 1144 O THR A 83 4.103 8.207 4.450 1.00 0.00 O ATOM 1145 CB THR A 83 2.175 8.037 6.917 1.00 0.00 C ATOM 1146 OG1 THR A 83 3.242 7.130 7.216 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.926 7.630 7.686 1.00 0.00 C ATOM 0 H THR A 83 2.594 6.137 4.901 1.00 0.00 H new ATOM 0 HA THR A 83 0.968 8.577 5.212 1.00 0.00 H new ATOM 0 HB THR A 83 2.459 9.044 7.223 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.409 7.128 8.182 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.142 7.626 8.754 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.125 8.339 7.480 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.616 6.632 7.375 1.00 0.00 H new ATOM 1155 N TYR A 84 2.820 10.054 4.387 1.00 0.00 N ATOM 1156 CA TYR A 84 3.829 10.864 3.713 1.00 0.00 C ATOM 1157 C TYR A 84 4.471 11.852 4.682 1.00 0.00 C ATOM 1158 O TYR A 84 3.879 12.873 5.028 1.00 0.00 O ATOM 1159 CB TYR A 84 3.205 11.618 2.537 1.00 0.00 C ATOM 1160 CG TYR A 84 4.210 12.043 1.490 1.00 0.00 C ATOM 1161 CD1 TYR A 84 4.971 11.102 0.807 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.398 13.385 1.183 1.00 0.00 C ATOM 1163 CE1 TYR A 84 5.890 11.486 -0.150 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.314 13.777 0.227 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.058 12.824 -0.437 1.00 0.00 C ATOM 1166 OH TYR A 84 6.972 13.211 -1.390 1.00 0.00 O ATOM 0 H TYR A 84 1.950 10.546 4.589 1.00 0.00 H new ATOM 0 HA TYR A 84 4.604 10.196 3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.451 10.985 2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.690 12.501 2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.842 10.053 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.818 14.134 1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.474 10.742 -0.671 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.447 14.824 0.000 1.00 0.00 H new ATOM 0 HH TYR A 84 6.966 14.188 -1.472 1.00 0.00 H new ATOM 1176 N GLY A 85 5.688 11.539 5.116 1.00 0.00 N ATOM 1177 CA GLY A 85 6.392 12.409 6.041 1.00 0.00 C ATOM 1178 C GLY A 85 5.872 12.289 7.460 1.00 0.00 C ATOM 1179 O GLY A 85 6.597 11.872 8.361 1.00 0.00 O ATOM 0 H GLY A 85 6.199 10.699 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.455 12.167 6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.295 13.442 5.708 1.00 0.00 H new ATOM 1183 N GLY A 86 4.610 12.659 7.659 1.00 0.00 N ATOM 1184 CA GLY A 86 4.016 12.585 8.981 1.00 0.00 C ATOM 1185 C GLY A 86 2.507 12.727 8.947 1.00 0.00 C ATOM 1186 O GLY A 86 1.889 13.096 9.945 1.00 0.00 O ATOM 0 H GLY A 86 3.989 13.008 6.929 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.278 11.632 9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.438 13.369 9.610 1.00 0.00 H new ATOM 1190 N ALA A 87 1.912 12.434 7.795 1.00 0.00 N ATOM 1191 CA ALA A 87 0.467 12.531 7.635 1.00 0.00 C ATOM 1192 C ALA A 87 -0.093 11.292 6.945 1.00 0.00 C ATOM 1193 O ALA A 87 0.640 10.545 6.296 1.00 0.00 O ATOM 1194 CB ALA A 87 0.105 13.783 6.850 1.00 0.00 C ATOM 0 H ALA A 87 2.409 12.127 6.959 1.00 0.00 H new ATOM 0 HA ALA A 87 0.020 12.596 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.978 13.842 6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.463 14.663 7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.570 13.742 5.865 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.397 11.078 7.090 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.056 9.929 6.480 1.00 0.00 C ATOM 1202 C HIS A 88 -2.790 10.335 5.206 1.00 0.00 C ATOM 1203 O HIS A 88 -3.669 11.198 5.233 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.036 9.293 7.467 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.421 8.225 8.317 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.478 6.884 8.000 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.733 8.306 9.480 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.852 6.187 8.931 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.390 7.026 9.840 1.00 0.00 N ATOM 0 H HIS A 88 -2.018 11.685 7.625 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.290 9.199 6.219 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.444 10.070 8.113 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.873 8.868 6.913 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.498 9.209 10.024 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.737 5.113 8.946 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.864 6.766 10.674 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.424 9.710 4.092 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.048 10.007 2.809 1.00 0.00 C ATOM 1220 C ILE A 89 -4.530 9.650 2.823 1.00 0.00 C ATOM 1221 O ILE A 89 -4.971 8.751 3.539 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.359 9.249 1.659 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.577 7.742 1.811 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.874 9.575 1.625 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.116 6.942 0.613 1.00 0.00 C ATOM 0 H ILE A 89 -1.698 8.994 4.052 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.937 11.079 2.644 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.802 9.568 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.046 7.394 2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.637 7.551 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.401 9.032 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.740 10.646 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.415 9.281 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.301 5.882 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.665 7.263 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.049 7.103 0.457 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.320 10.369 2.012 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.765 10.145 1.910 1.00 0.00 C ATOM 1239 C PRO A 90 -7.100 8.823 1.227 1.00 0.00 C ATOM 1240 O PRO A 90 -7.111 8.733 0.000 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.248 11.323 1.062 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.059 11.726 0.260 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.863 11.456 1.130 1.00 0.00 C ATOM 0 HA PRO A 90 -7.238 10.086 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.079 11.033 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.600 12.143 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.003 11.157 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.112 12.779 -0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.996 11.157 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.572 12.339 1.699 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.373 7.799 2.030 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.705 6.496 1.484 1.00 0.00 C ATOM 1253 C GLY A 91 -7.179 5.359 2.336 1.00 0.00 C ATOM 1254 O GLY A 91 -7.639 4.223 2.221 1.00 0.00 O ATOM 0 H GLY A 91 -7.370 7.849 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.788 6.408 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.294 6.412 0.478 1.00 0.00 H new ATOM 1258 N SER A 92 -6.209 5.664 3.193 1.00 0.00 N ATOM 1259 CA SER A 92 -5.615 4.657 4.065 1.00 0.00 C ATOM 1260 C SER A 92 -6.155 4.782 5.486 1.00 0.00 C ATOM 1261 O SER A 92 -6.569 5.854 5.929 1.00 0.00 O ATOM 1262 CB SER A 92 -4.091 4.793 4.072 1.00 0.00 C ATOM 1263 OG SER A 92 -3.551 4.410 5.325 1.00 0.00 O ATOM 0 H SER A 92 -5.818 6.600 3.302 1.00 0.00 H new ATOM 0 HA SER A 92 -5.883 3.674 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.664 4.173 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.814 5.824 3.853 1.00 0.00 H new ATOM 0 HG SER A 92 -2.939 5.106 5.644 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.152 3.660 6.221 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.662 2.378 5.705 1.00 0.00 C ATOM 1271 C PRO A 93 -6.581 1.793 4.638 1.00 0.00 C ATOM 1272 O PRO A 93 -7.803 1.920 4.719 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.644 1.480 6.945 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.663 2.072 7.856 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.626 3.555 7.611 1.00 0.00 C ATOM 0 HA PRO A 93 -4.691 2.479 5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.891 0.449 6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.658 1.466 7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.654 1.667 7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.436 1.843 8.897 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.610 4.007 7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.953 4.060 8.304 1.00 0.00 H new ATOM 1283 N PHE A 94 -5.986 1.153 3.637 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.752 0.549 2.553 1.00 0.00 C ATOM 1285 C PHE A 94 -6.989 -0.935 2.816 1.00 0.00 C ATOM 1286 O PHE A 94 -6.085 -1.757 2.661 1.00 0.00 O ATOM 1287 CB PHE A 94 -6.022 0.732 1.221 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.873 2.170 0.811 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.880 2.962 1.364 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.727 2.728 -0.126 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.742 4.285 0.990 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.593 4.051 -0.505 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.598 4.830 0.053 1.00 0.00 C ATOM 0 H PHE A 94 -4.976 1.039 3.554 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.719 1.050 2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.033 0.279 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.563 0.195 0.442 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.206 2.541 2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.506 2.123 -0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.965 4.893 1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.265 4.475 -1.236 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.490 5.863 -0.243 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.212 -1.271 3.215 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.568 -2.656 3.502 1.00 0.00 C ATOM 1305 C ARG A 95 -8.510 -3.505 2.235 1.00 0.00 C ATOM 1306 O ARG A 95 -9.092 -3.151 1.210 1.00 0.00 O ATOM 1307 CB ARG A 95 -9.969 -2.728 4.113 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.157 -3.896 5.067 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.413 -5.193 4.316 1.00 0.00 C ATOM 1310 NE ARG A 95 -11.684 -5.168 3.597 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.851 -5.466 4.157 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -12.908 -5.811 5.436 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -13.965 -5.420 3.437 1.00 0.00 N ATOM 0 H ARG A 95 -8.972 -0.604 3.347 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.846 -3.051 4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.173 -1.799 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.703 -2.803 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.270 -4.004 5.690 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.993 -3.690 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.601 -5.370 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.411 -6.026 5.019 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.675 -4.907 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.054 -5.848 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.806 -6.039 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.925 -5.156 2.453 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.861 -5.649 3.868 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.803 -4.628 2.314 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.669 -5.529 1.175 1.00 0.00 C ATOM 1329 C VAL A 96 -7.933 -6.974 1.584 1.00 0.00 C ATOM 1330 O VAL A 96 -7.257 -7.534 2.447 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.267 -5.432 0.546 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.180 -6.300 -0.700 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.927 -3.985 0.222 1.00 0.00 C ATOM 0 H VAL A 96 -7.314 -4.936 3.155 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.411 -5.222 0.438 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.538 -5.800 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.182 -6.219 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.377 -7.339 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.918 -5.965 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.933 -3.935 -0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.659 -3.588 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.946 -3.393 1.137 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.938 -7.594 0.949 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.314 -8.983 1.228 1.00 0.00 C ATOM 1345 C PRO A 97 -8.265 -9.977 0.742 1.00 0.00 C ATOM 1346 O PRO A 97 -8.146 -10.234 -0.456 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.620 -9.161 0.449 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.545 -8.159 -0.650 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.786 -6.987 -0.091 1.00 0.00 C ATOM 0 HA PRO A 97 -9.410 -9.171 2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.712 -10.174 0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.488 -8.986 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -10.037 -8.573 -1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.542 -7.860 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.190 -6.492 -0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.457 -6.236 0.326 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.504 -10.533 1.680 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.465 -11.500 1.347 1.00 0.00 C ATOM 1359 C VAL A 98 -7.007 -12.925 1.386 1.00 0.00 C ATOM 1360 O VAL A 98 -7.172 -13.509 2.458 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.268 -11.391 2.309 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.217 -12.439 1.975 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.672 -9.992 2.262 1.00 0.00 C ATOM 0 H VAL A 98 -7.588 -10.330 2.676 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.131 -11.269 0.335 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.622 -11.576 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.379 -12.346 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.653 -13.434 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.865 -12.289 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.827 -9.933 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.333 -9.775 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.429 -9.264 2.555 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.283 -13.480 0.211 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.805 -14.837 0.109 1.00 0.00 C ATOM 1375 C LYS A 99 -6.698 -15.819 -0.263 1.00 0.00 C ATOM 1376 O LYS A 99 -5.603 -15.416 -0.656 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.925 -14.898 -0.931 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.942 -13.778 -0.796 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.752 -13.603 -2.070 1.00 0.00 C ATOM 1380 CE LYS A 99 -12.079 -12.912 -1.796 1.00 0.00 C ATOM 1381 NZ LYS A 99 -13.100 -13.245 -2.827 1.00 0.00 N ATOM 0 H LYS A 99 -7.154 -13.010 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.206 -15.119 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.486 -14.861 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.438 -15.856 -0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.613 -13.993 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.429 -12.846 -0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.178 -13.019 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.935 -14.577 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.446 -13.207 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.928 -11.833 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.990 -12.755 -2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.761 -12.941 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.263 -14.272 -2.835 1.00 0.00 H new