USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 48 CYS SG : rot -118:sc= -1.61 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.19 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 84:sc= 0.394 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 9 THR OG1 : rot -29:sc= 0.734 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0358 K(o=-0.036,f=-1.4) USER MOD Single : A 14 HIS : no HD1:sc= -0.0805 X(o=-0.081,f=-0.081) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -85:sc= 0.798 USER MOD Single : A 25 THR OG1 : rot 19:sc= 0.0109 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= -1.25 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.293 USER MOD Single : A 59 ASN : amide:sc= -2.44! C(o=-2.4!,f=-14!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 51:sc= 0.0187 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -34:sc= 1.2 USER MOD Single : A 87 ASN : amide:sc= -5.11! C(o=-5.1!,f=-11!) USER MOD Single : A 92 SER OG : rot -150:sc= -0.362 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 99 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.4) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.366 10.954 1.550 1.00 0.00 N ATOM 81 CA THR A 9 -1.676 10.379 1.296 1.00 0.00 C ATOM 82 C THR A 9 -2.070 9.427 2.428 1.00 0.00 C ATOM 83 O THR A 9 -1.288 9.196 3.349 1.00 0.00 O ATOM 84 CB THR A 9 -1.639 9.707 -0.078 1.00 0.00 C ATOM 85 OG1 THR A 9 -0.375 9.049 -0.109 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.560 10.719 -1.223 1.00 0.00 C ATOM 0 HA THR A 9 -2.448 11.148 1.277 1.00 0.00 H new ATOM 0 HB THR A 9 -2.527 9.087 -0.202 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.262 9.538 0.453 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.536 10.190 -2.176 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.432 11.372 -1.192 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.655 11.317 -1.118 1.00 0.00 H new ATOM 94 N SER A 10 -3.281 8.901 2.321 1.00 0.00 N ATOM 95 CA SER A 10 -3.788 7.980 3.323 1.00 0.00 C ATOM 96 C SER A 10 -3.273 6.567 3.043 1.00 0.00 C ATOM 97 O SER A 10 -3.350 6.087 1.913 1.00 0.00 O ATOM 98 CB SER A 10 -5.317 7.991 3.358 1.00 0.00 C ATOM 99 OG SER A 10 -5.823 7.788 4.675 1.00 0.00 O ATOM 0 H SER A 10 -3.926 9.095 1.555 1.00 0.00 H new ATOM 0 HA SER A 10 -3.427 8.304 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.681 8.943 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.700 7.212 2.698 1.00 0.00 H new ATOM 0 HG SER A 10 -6.803 7.804 4.655 1.00 0.00 H new ATOM 105 N ALA A 11 -2.760 5.940 4.091 1.00 0.00 N ATOM 106 CA ALA A 11 -2.233 4.591 3.972 1.00 0.00 C ATOM 107 C ALA A 11 -3.203 3.740 3.149 1.00 0.00 C ATOM 108 O ALA A 11 -4.387 4.057 3.056 1.00 0.00 O ATOM 109 CB ALA A 11 -1.990 4.012 5.367 1.00 0.00 C ATOM 0 H ALA A 11 -2.698 6.341 5.027 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.276 4.598 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.595 3.000 5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.272 4.636 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.929 3.987 5.919 1.00 0.00 H new ATOM 115 N PRO A 12 -2.649 2.648 2.557 1.00 0.00 N ATOM 116 CA PRO A 12 -3.451 1.749 1.746 1.00 0.00 C ATOM 117 C PRO A 12 -4.342 0.866 2.622 1.00 0.00 C ATOM 118 O PRO A 12 -4.042 0.645 3.794 1.00 0.00 O ATOM 119 CB PRO A 12 -2.446 0.954 0.928 1.00 0.00 C ATOM 120 CG PRO A 12 -1.114 1.105 1.644 1.00 0.00 C ATOM 121 CD PRO A 12 -1.249 2.241 2.645 1.00 0.00 C ATOM 0 HA PRO A 12 -4.145 2.278 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.738 -0.094 0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.386 1.333 -0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.846 0.178 2.152 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.319 1.318 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.995 1.913 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.580 3.066 2.400 1.00 0.00 H new ATOM 129 N GLN A 13 -5.419 0.384 2.020 1.00 0.00 N ATOM 130 CA GLN A 13 -6.355 -0.470 2.731 1.00 0.00 C ATOM 131 C GLN A 13 -6.879 -1.569 1.805 1.00 0.00 C ATOM 132 O GLN A 13 -6.667 -1.519 0.594 1.00 0.00 O ATOM 133 CB GLN A 13 -7.508 0.348 3.317 1.00 0.00 C ATOM 134 CG GLN A 13 -7.781 1.594 2.472 1.00 0.00 C ATOM 135 CD GLN A 13 -9.215 2.090 2.675 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.971 1.570 3.479 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.545 3.121 1.902 1.00 0.00 N ATOM 0 H GLN A 13 -5.664 0.569 1.047 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.828 -0.941 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.407 -0.267 3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.267 0.642 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.078 2.382 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.616 1.367 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.863 3.508 1.250 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.480 3.524 1.961 1.00 0.00 H new ATOM 146 N HIS A 14 -7.553 -2.537 2.410 1.00 0.00 N ATOM 147 CA HIS A 14 -8.109 -3.647 1.654 1.00 0.00 C ATOM 148 C HIS A 14 -6.974 -4.480 1.057 1.00 0.00 C ATOM 149 O HIS A 14 -7.127 -5.068 -0.013 1.00 0.00 O ATOM 150 CB HIS A 14 -9.095 -3.145 0.598 1.00 0.00 C ATOM 151 CG HIS A 14 -10.445 -2.757 1.153 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.553 -3.583 1.077 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.853 -1.624 1.794 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.576 -2.964 1.649 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.140 -1.750 2.092 1.00 0.00 N ATOM 0 H HIS A 14 -7.726 -2.575 3.414 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.679 -4.296 2.319 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.661 -2.283 0.091 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.232 -3.922 -0.154 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.233 -0.769 2.021 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.579 -3.353 1.747 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.709 -1.054 2.573 1.00 0.00 H new ATOM 163 N LEU A 15 -5.860 -4.505 1.774 1.00 0.00 N ATOM 164 CA LEU A 15 -4.699 -5.257 1.328 1.00 0.00 C ATOM 165 C LEU A 15 -4.834 -6.712 1.782 1.00 0.00 C ATOM 166 O LEU A 15 -4.725 -7.008 2.971 1.00 0.00 O ATOM 167 CB LEU A 15 -3.410 -4.582 1.801 1.00 0.00 C ATOM 168 CG LEU A 15 -2.106 -5.291 1.427 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.818 -5.156 -0.069 1.00 0.00 C ATOM 170 CD2 LEU A 15 -0.943 -4.786 2.283 1.00 0.00 C ATOM 0 H LEU A 15 -5.737 -4.017 2.661 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.646 -5.266 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.381 -3.572 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.450 -4.486 2.886 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.223 -6.354 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.886 -5.669 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.634 -5.602 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.729 -4.101 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.028 -5.306 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.815 -3.715 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.156 -4.977 3.335 1.00 0.00 H new ATOM 182 N THR A 16 -5.071 -7.582 0.811 1.00 0.00 N ATOM 183 CA THR A 16 -5.222 -8.998 1.096 1.00 0.00 C ATOM 184 C THR A 16 -4.532 -9.836 0.017 1.00 0.00 C ATOM 185 O THR A 16 -4.125 -9.309 -1.017 1.00 0.00 O ATOM 186 CB THR A 16 -6.716 -9.296 1.233 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.327 -8.470 0.246 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.295 -8.788 2.555 1.00 0.00 C ATOM 0 H THR A 16 -5.162 -7.333 -0.174 1.00 0.00 H new ATOM 0 HA THR A 16 -4.735 -9.267 2.033 1.00 0.00 H new ATOM 0 HB THR A 16 -6.881 -10.371 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.298 -8.602 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.358 -9.025 2.602 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.779 -9.268 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.161 -7.708 2.620 1.00 0.00 H new ATOM 196 N VAL A 17 -4.422 -11.126 0.295 1.00 0.00 N ATOM 197 CA VAL A 17 -3.788 -12.042 -0.638 1.00 0.00 C ATOM 198 C VAL A 17 -4.858 -12.674 -1.531 1.00 0.00 C ATOM 199 O VAL A 17 -5.785 -13.314 -1.037 1.00 0.00 O ATOM 200 CB VAL A 17 -2.959 -13.077 0.125 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.416 -14.150 -0.821 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.824 -12.405 0.901 1.00 0.00 C ATOM 0 H VAL A 17 -4.761 -11.559 1.154 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.096 -11.507 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.614 -13.566 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.830 -14.873 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.247 -14.659 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.783 -13.683 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.250 -13.162 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.171 -11.877 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.242 -11.696 1.616 1.00 0.00 H new ATOM 212 N GLU A 18 -4.694 -12.473 -2.830 1.00 0.00 N ATOM 213 CA GLU A 18 -5.634 -13.015 -3.797 1.00 0.00 C ATOM 214 C GLU A 18 -5.252 -14.451 -4.160 1.00 0.00 C ATOM 215 O GLU A 18 -6.095 -15.347 -4.133 1.00 0.00 O ATOM 216 CB GLU A 18 -5.705 -12.134 -5.046 1.00 0.00 C ATOM 217 CG GLU A 18 -6.140 -10.711 -4.689 1.00 0.00 C ATOM 218 CD GLU A 18 -7.596 -10.684 -4.221 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.464 -11.051 -5.043 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.810 -10.297 -3.052 1.00 0.00 O ATOM 0 H GLU A 18 -3.924 -11.942 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.625 -13.027 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.730 -12.109 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.407 -12.565 -5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.495 -10.316 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.021 -10.062 -5.557 1.00 0.00 H new ATOM 227 N ASP A 19 -3.981 -14.627 -4.491 1.00 0.00 N ATOM 228 CA ASP A 19 -3.478 -15.939 -4.859 1.00 0.00 C ATOM 229 C ASP A 19 -2.036 -16.083 -4.369 1.00 0.00 C ATOM 230 O ASP A 19 -1.339 -15.088 -4.176 1.00 0.00 O ATOM 231 CB ASP A 19 -3.481 -16.124 -6.378 1.00 0.00 C ATOM 232 CG ASP A 19 -3.376 -17.575 -6.853 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.190 -18.391 -6.369 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.484 -17.835 -7.689 1.00 0.00 O ATOM 0 H ASP A 19 -3.284 -13.882 -4.512 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.125 -16.688 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.397 -15.691 -6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.650 -15.558 -6.799 1.00 0.00 H new ATOM 239 N VAL A 20 -1.631 -17.331 -4.180 1.00 0.00 N ATOM 240 CA VAL A 20 -0.284 -17.618 -3.715 1.00 0.00 C ATOM 241 C VAL A 20 0.319 -18.733 -4.572 1.00 0.00 C ATOM 242 O VAL A 20 -0.280 -19.796 -4.726 1.00 0.00 O ATOM 243 CB VAL A 20 -0.307 -17.957 -2.223 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.081 -18.380 -1.736 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.841 -16.781 -1.402 1.00 0.00 C ATOM 0 H VAL A 20 -2.212 -18.154 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 20 0.354 -16.741 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.984 -18.800 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.037 -18.615 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.408 -19.260 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.787 -17.566 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.847 -17.048 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.201 -15.912 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.856 -16.545 -1.722 1.00 0.00 H new ATOM 255 N THR A 21 1.498 -18.452 -5.107 1.00 0.00 N ATOM 256 CA THR A 21 2.189 -19.417 -5.944 1.00 0.00 C ATOM 257 C THR A 21 3.266 -20.147 -5.139 1.00 0.00 C ATOM 258 O THR A 21 3.196 -20.207 -3.913 1.00 0.00 O ATOM 259 CB THR A 21 2.740 -18.676 -7.164 1.00 0.00 C ATOM 260 OG1 THR A 21 1.869 -17.559 -7.315 1.00 0.00 O ATOM 261 CG2 THR A 21 2.560 -19.468 -8.461 1.00 0.00 C ATOM 0 H THR A 21 1.992 -17.569 -4.977 1.00 0.00 H new ATOM 0 HA THR A 21 1.509 -20.193 -6.296 1.00 0.00 H new ATOM 0 HB THR A 21 3.798 -18.464 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.162 -16.834 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.968 -18.897 -9.295 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.085 -20.420 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.499 -19.651 -8.631 1.00 0.00 H new ATOM 269 N ASP A 22 4.238 -20.684 -5.862 1.00 0.00 N ATOM 270 CA ASP A 22 5.328 -21.408 -5.230 1.00 0.00 C ATOM 271 C ASP A 22 6.464 -20.434 -4.911 1.00 0.00 C ATOM 272 O ASP A 22 7.050 -20.490 -3.831 1.00 0.00 O ATOM 273 CB ASP A 22 5.882 -22.491 -6.159 1.00 0.00 C ATOM 274 CG ASP A 22 6.034 -22.072 -7.622 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.986 -21.970 -8.296 1.00 0.00 O ATOM 276 OD2 ASP A 22 7.196 -21.864 -8.035 1.00 0.00 O ATOM 0 H ASP A 22 4.293 -20.632 -6.879 1.00 0.00 H new ATOM 0 HA ASP A 22 4.942 -21.873 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.856 -22.807 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.225 -23.360 -6.112 1.00 0.00 H new ATOM 281 N THR A 23 6.741 -19.563 -5.871 1.00 0.00 N ATOM 282 CA THR A 23 7.796 -18.577 -5.705 1.00 0.00 C ATOM 283 C THR A 23 7.265 -17.173 -6.001 1.00 0.00 C ATOM 284 O THR A 23 8.042 -16.231 -6.152 1.00 0.00 O ATOM 285 CB THR A 23 8.968 -18.985 -6.600 1.00 0.00 C ATOM 286 OG1 THR A 23 8.366 -19.237 -7.867 1.00 0.00 O ATOM 287 CG2 THR A 23 9.570 -20.333 -6.199 1.00 0.00 C ATOM 0 H THR A 23 6.253 -19.520 -6.766 1.00 0.00 H new ATOM 0 HA THR A 23 8.150 -18.545 -4.675 1.00 0.00 H new ATOM 0 HB THR A 23 9.740 -18.217 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.028 -20.156 -7.891 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.398 -20.575 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.935 -20.278 -5.173 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.807 -21.108 -6.272 1.00 0.00 H new ATOM 295 N THR A 24 5.946 -17.077 -6.075 1.00 0.00 N ATOM 296 CA THR A 24 5.302 -15.804 -6.349 1.00 0.00 C ATOM 297 C THR A 24 3.974 -15.704 -5.597 1.00 0.00 C ATOM 298 O THR A 24 3.360 -16.721 -5.277 1.00 0.00 O ATOM 299 CB THR A 24 5.153 -15.667 -7.866 1.00 0.00 C ATOM 300 OG1 THR A 24 4.844 -16.987 -8.305 1.00 0.00 O ATOM 301 CG2 THR A 24 6.480 -15.345 -8.558 1.00 0.00 C ATOM 0 H THR A 24 5.305 -17.861 -5.950 1.00 0.00 H new ATOM 0 HA THR A 24 5.906 -14.970 -5.990 1.00 0.00 H new ATOM 0 HB THR A 24 4.428 -14.885 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.729 -16.990 -9.278 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.318 -15.258 -9.632 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.872 -14.404 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.196 -16.143 -8.362 1.00 0.00 H new ATOM 309 N THR A 25 3.570 -14.470 -5.336 1.00 0.00 N ATOM 310 CA THR A 25 2.325 -14.224 -4.627 1.00 0.00 C ATOM 311 C THR A 25 1.616 -12.998 -5.205 1.00 0.00 C ATOM 312 O THR A 25 2.264 -12.076 -5.699 1.00 0.00 O ATOM 313 CB THR A 25 2.648 -14.093 -3.137 1.00 0.00 C ATOM 314 OG1 THR A 25 2.712 -15.440 -2.677 1.00 0.00 O ATOM 315 CG2 THR A 25 1.494 -13.482 -2.340 1.00 0.00 C ATOM 0 H THR A 25 4.082 -13.629 -5.603 1.00 0.00 H new ATOM 0 HA THR A 25 1.628 -15.053 -4.752 1.00 0.00 H new ATOM 0 HB THR A 25 3.541 -13.480 -3.011 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.843 -16.040 -3.440 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.775 -13.411 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.273 -12.486 -2.724 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.610 -14.113 -2.438 1.00 0.00 H new ATOM 323 N THR A 26 0.293 -13.026 -5.123 1.00 0.00 N ATOM 324 CA THR A 26 -0.511 -11.928 -5.632 1.00 0.00 C ATOM 325 C THR A 26 -1.085 -11.107 -4.475 1.00 0.00 C ATOM 326 O THR A 26 -1.474 -11.662 -3.449 1.00 0.00 O ATOM 327 CB THR A 26 -1.584 -12.515 -6.552 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.842 -13.184 -7.568 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.361 -11.435 -7.308 1.00 0.00 C ATOM 0 H THR A 26 -0.241 -13.791 -4.712 1.00 0.00 H new ATOM 0 HA THR A 26 0.092 -11.232 -6.215 1.00 0.00 H new ATOM 0 HB THR A 26 -2.277 -13.117 -5.964 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.460 -13.595 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.109 -11.905 -7.946 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.855 -10.775 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.673 -10.855 -7.923 1.00 0.00 H new ATOM 337 N LEU A 27 -1.120 -9.799 -4.681 1.00 0.00 N ATOM 338 CA LEU A 27 -1.640 -8.896 -3.668 1.00 0.00 C ATOM 339 C LEU A 27 -2.663 -7.955 -4.307 1.00 0.00 C ATOM 340 O LEU A 27 -2.625 -7.718 -5.513 1.00 0.00 O ATOM 341 CB LEU A 27 -0.495 -8.170 -2.959 1.00 0.00 C ATOM 342 CG LEU A 27 0.483 -9.056 -2.185 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.832 -8.356 -2.006 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.116 -9.496 -0.847 1.00 0.00 C ATOM 0 H LEU A 27 -0.797 -9.343 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.162 -9.455 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.067 -7.606 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.924 -7.445 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 27 0.663 -9.958 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.509 -9.007 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.260 -8.135 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.689 -7.427 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.600 -10.125 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.344 -8.617 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.031 -10.060 -1.026 1.00 0.00 H new ATOM 356 N LYS A 28 -3.553 -7.443 -3.469 1.00 0.00 N ATOM 357 CA LYS A 28 -4.584 -6.533 -3.937 1.00 0.00 C ATOM 358 C LYS A 28 -4.969 -5.579 -2.805 1.00 0.00 C ATOM 359 O LYS A 28 -5.333 -6.018 -1.715 1.00 0.00 O ATOM 360 CB LYS A 28 -5.768 -7.314 -4.512 1.00 0.00 C ATOM 361 CG LYS A 28 -5.782 -7.243 -6.040 1.00 0.00 C ATOM 362 CD LYS A 28 -7.178 -7.541 -6.590 1.00 0.00 C ATOM 363 CE LYS A 28 -7.913 -6.249 -6.952 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.357 -6.510 -7.141 1.00 0.00 N ATOM 0 H LYS A 28 -3.581 -7.641 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.207 -5.921 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.711 -8.355 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.700 -6.911 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.463 -6.252 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.067 -7.957 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.097 -8.177 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.754 -8.096 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.771 -5.510 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.491 -5.827 -7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.841 -5.623 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.488 -7.199 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.759 -6.892 -6.261 1.00 0.00 H new ATOM 378 N TRP A 29 -4.875 -4.291 -3.101 1.00 0.00 N ATOM 379 CA TRP A 29 -5.208 -3.271 -2.121 1.00 0.00 C ATOM 380 C TRP A 29 -6.148 -2.264 -2.787 1.00 0.00 C ATOM 381 O TRP A 29 -6.503 -2.420 -3.955 1.00 0.00 O ATOM 382 CB TRP A 29 -3.944 -2.623 -1.553 1.00 0.00 C ATOM 383 CG TRP A 29 -3.160 -1.791 -2.570 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.477 -0.590 -3.074 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.907 -2.149 -3.190 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.524 -0.150 -3.970 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.539 -1.128 -4.043 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.110 -3.297 -3.036 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.367 -1.153 -4.808 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.058 -3.307 -3.807 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.442 -2.287 -4.670 1.00 0.00 C ATOM 0 H TRP A 29 -4.573 -3.930 -4.006 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.719 -3.711 -1.265 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.221 -1.985 -0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.293 -3.404 -1.159 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.366 -0.036 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.540 0.731 -4.484 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.378 -4.108 -2.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.101 -0.341 -5.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.706 -4.167 -3.726 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.361 -2.369 -5.232 1.00 0.00 H new ATOM 402 N ARG A 30 -6.525 -1.255 -2.016 1.00 0.00 N ATOM 403 CA ARG A 30 -7.417 -0.223 -2.517 1.00 0.00 C ATOM 404 C ARG A 30 -6.778 1.157 -2.352 1.00 0.00 C ATOM 405 O ARG A 30 -5.925 1.351 -1.487 1.00 0.00 O ATOM 406 CB ARG A 30 -8.758 -0.249 -1.780 1.00 0.00 C ATOM 407 CG ARG A 30 -9.638 -1.394 -2.284 1.00 0.00 C ATOM 408 CD ARG A 30 -10.902 -0.858 -2.959 1.00 0.00 C ATOM 409 NE ARG A 30 -10.794 -1.009 -4.427 1.00 0.00 N ATOM 410 CZ ARG A 30 -11.842 -0.999 -5.263 1.00 0.00 C ATOM 411 NH1 ARG A 30 -13.082 -0.846 -4.780 1.00 0.00 N ATOM 412 NH2 ARG A 30 -11.649 -1.142 -6.581 1.00 0.00 N ATOM 0 H ARG A 30 -6.229 -1.130 -1.048 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.593 -0.421 -3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.587 -0.361 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.274 0.701 -1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.076 -2.006 -2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.913 -2.040 -1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.776 -1.397 -2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.044 0.192 -2.702 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.864 -1.128 -4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.229 -0.737 -3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.880 -0.838 -5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.705 -1.259 -6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.446 -1.134 -7.217 1.00 0.00 H new ATOM 426 N PRO A 31 -7.228 2.106 -3.217 1.00 0.00 N ATOM 427 CA PRO A 31 -6.709 3.463 -3.175 1.00 0.00 C ATOM 428 C PRO A 31 -7.280 4.231 -1.981 1.00 0.00 C ATOM 429 O PRO A 31 -8.338 3.880 -1.461 1.00 0.00 O ATOM 430 CB PRO A 31 -7.094 4.072 -4.513 1.00 0.00 C ATOM 431 CG PRO A 31 -8.209 3.198 -5.064 1.00 0.00 C ATOM 432 CD PRO A 31 -8.237 1.913 -4.253 1.00 0.00 C ATOM 0 HA PRO A 31 -5.629 3.497 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.429 5.102 -4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.242 4.092 -5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.167 3.713 -4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.038 2.980 -6.118 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.222 1.740 -3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.006 1.048 -4.874 1.00 0.00 H new ATOM 440 N PRO A 32 -6.535 5.292 -1.571 1.00 0.00 N ATOM 441 CA PRO A 32 -6.956 6.113 -0.448 1.00 0.00 C ATOM 442 C PRO A 32 -8.112 7.034 -0.845 1.00 0.00 C ATOM 443 O PRO A 32 -8.531 7.047 -2.002 1.00 0.00 O ATOM 444 CB PRO A 32 -5.709 6.873 -0.027 1.00 0.00 C ATOM 445 CG PRO A 32 -4.758 6.803 -1.211 1.00 0.00 C ATOM 446 CD PRO A 32 -5.277 5.737 -2.163 1.00 0.00 C ATOM 0 HA PRO A 32 -7.346 5.523 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.947 7.907 0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.261 6.427 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.702 7.769 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.750 6.558 -0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.431 6.141 -3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.570 4.913 -2.258 1.00 0.00 H new ATOM 454 N ASP A 33 -8.594 7.782 0.136 1.00 0.00 N ATOM 455 CA ASP A 33 -9.693 8.703 -0.096 1.00 0.00 C ATOM 456 C ASP A 33 -9.185 10.140 0.038 1.00 0.00 C ATOM 457 O ASP A 33 -9.673 11.041 -0.642 1.00 0.00 O ATOM 458 CB ASP A 33 -10.809 8.499 0.930 1.00 0.00 C ATOM 459 CG ASP A 33 -12.084 9.304 0.668 1.00 0.00 C ATOM 460 OD1 ASP A 33 -11.985 10.291 -0.093 1.00 0.00 O ATOM 461 OD2 ASP A 33 -13.128 8.915 1.235 1.00 0.00 O ATOM 0 H ASP A 33 -8.243 7.769 1.094 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.084 8.516 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.066 7.440 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.427 8.762 1.917 1.00 0.00 H new ATOM 466 N ARG A 34 -8.211 10.310 0.920 1.00 0.00 N ATOM 467 CA ARG A 34 -7.631 11.622 1.152 1.00 0.00 C ATOM 468 C ARG A 34 -6.329 11.774 0.363 1.00 0.00 C ATOM 469 O ARG A 34 -5.243 11.580 0.907 1.00 0.00 O ATOM 470 CB ARG A 34 -7.347 11.843 2.639 1.00 0.00 C ATOM 471 CG ARG A 34 -8.500 12.592 3.312 1.00 0.00 C ATOM 472 CD ARG A 34 -9.314 11.655 4.207 1.00 0.00 C ATOM 473 NE ARG A 34 -10.342 12.424 4.942 1.00 0.00 N ATOM 474 CZ ARG A 34 -11.386 11.870 5.574 1.00 0.00 C ATOM 475 NH1 ARG A 34 -11.546 10.540 5.564 1.00 0.00 N ATOM 476 NH2 ARG A 34 -12.269 12.647 6.217 1.00 0.00 N ATOM 0 H ARG A 34 -7.809 9.561 1.483 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.352 12.367 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.197 10.882 3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.423 12.409 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.105 13.416 3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.148 13.028 2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.789 10.883 3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.655 11.148 4.911 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.251 13.440 4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.873 9.949 5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.340 10.118 6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.146 13.660 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.064 12.226 6.698 1.00 0.00 H new ATOM 559 N ASP A 41 1.523 8.590 -6.517 1.00 0.00 N ATOM 560 CA ASP A 41 2.470 8.130 -7.518 1.00 0.00 C ATOM 561 C ASP A 41 2.343 6.613 -7.674 1.00 0.00 C ATOM 562 O ASP A 41 2.324 6.100 -8.792 1.00 0.00 O ATOM 563 CB ASP A 41 3.908 8.444 -7.102 1.00 0.00 C ATOM 564 CG ASP A 41 4.816 8.936 -8.231 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.368 8.856 -9.395 1.00 0.00 O ATOM 566 OD2 ASP A 41 5.937 9.381 -7.905 1.00 0.00 O ATOM 0 HA ASP A 41 2.246 8.642 -8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.886 9.201 -6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.348 7.547 -6.667 1.00 0.00 H new ATOM 571 N GLY A 42 2.260 5.938 -6.537 1.00 0.00 N ATOM 572 CA GLY A 42 2.136 4.490 -6.534 1.00 0.00 C ATOM 573 C GLY A 42 2.253 3.933 -5.114 1.00 0.00 C ATOM 574 O GLY A 42 1.966 4.633 -4.143 1.00 0.00 O ATOM 0 H GLY A 42 2.276 6.367 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.176 4.203 -6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.911 4.054 -7.165 1.00 0.00 H new ATOM 578 N TYR A 43 2.675 2.680 -5.037 1.00 0.00 N ATOM 579 CA TYR A 43 2.833 2.021 -3.752 1.00 0.00 C ATOM 580 C TYR A 43 4.076 1.129 -3.743 1.00 0.00 C ATOM 581 O TYR A 43 4.389 0.483 -4.742 1.00 0.00 O ATOM 582 CB TYR A 43 1.591 1.146 -3.570 1.00 0.00 C ATOM 583 CG TYR A 43 0.391 1.886 -2.975 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.335 2.129 -1.617 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.635 2.309 -3.795 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.795 2.824 -1.057 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.764 3.005 -3.234 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.788 3.228 -1.893 1.00 0.00 C ATOM 589 OH TYR A 43 -2.855 3.886 -1.363 1.00 0.00 O ATOM 0 H TYR A 43 2.913 2.103 -5.844 1.00 0.00 H new ATOM 0 HA TYR A 43 2.946 2.756 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.306 0.731 -4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.843 0.305 -2.924 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.138 1.798 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.591 2.118 -4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.852 3.020 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.574 3.342 -3.864 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.570 4.385 -0.569 1.00 0.00 H new ATOM 599 N LEU A 44 4.752 1.122 -2.603 1.00 0.00 N ATOM 600 CA LEU A 44 5.954 0.320 -2.450 1.00 0.00 C ATOM 601 C LEU A 44 5.634 -0.916 -1.606 1.00 0.00 C ATOM 602 O LEU A 44 5.129 -0.796 -0.491 1.00 0.00 O ATOM 603 CB LEU A 44 7.097 1.168 -1.890 1.00 0.00 C ATOM 604 CG LEU A 44 8.086 1.724 -2.916 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.184 2.541 -2.233 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.661 0.605 -3.786 1.00 0.00 C ATOM 0 H LEU A 44 4.490 1.659 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 44 6.299 -0.037 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.666 2.005 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.651 0.565 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 44 7.546 2.401 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.873 2.924 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.735 3.375 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.727 1.907 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.361 1.028 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.181 -0.116 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.851 0.105 -4.317 1.00 0.00 H new ATOM 618 N VAL A 45 5.940 -2.074 -2.171 1.00 0.00 N ATOM 619 CA VAL A 45 5.691 -3.330 -1.484 1.00 0.00 C ATOM 620 C VAL A 45 7.007 -3.863 -0.912 1.00 0.00 C ATOM 621 O VAL A 45 8.020 -3.902 -1.608 1.00 0.00 O ATOM 622 CB VAL A 45 5.008 -4.319 -2.432 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.528 -5.560 -1.677 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.853 -3.651 -3.181 1.00 0.00 C ATOM 0 H VAL A 45 6.358 -2.169 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 45 5.009 -3.179 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 45 5.744 -4.640 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.047 -6.246 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.380 -6.055 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.815 -5.265 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.385 -4.375 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.116 -3.288 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.234 -2.813 -3.765 1.00 0.00 H new ATOM 634 N GLU A 46 6.948 -4.259 0.351 1.00 0.00 N ATOM 635 CA GLU A 46 8.122 -4.788 1.025 1.00 0.00 C ATOM 636 C GLU A 46 7.733 -5.964 1.924 1.00 0.00 C ATOM 637 O GLU A 46 6.725 -5.907 2.626 1.00 0.00 O ATOM 638 CB GLU A 46 8.831 -3.695 1.828 1.00 0.00 C ATOM 639 CG GLU A 46 9.621 -2.764 0.907 1.00 0.00 C ATOM 640 CD GLU A 46 9.464 -1.304 1.338 1.00 0.00 C ATOM 641 OE1 GLU A 46 8.471 -0.685 0.897 1.00 0.00 O ATOM 642 OE2 GLU A 46 10.340 -0.840 2.099 1.00 0.00 O ATOM 0 H GLU A 46 6.106 -4.224 0.925 1.00 0.00 H new ATOM 0 HA GLU A 46 8.820 -5.149 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.097 -3.118 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.504 -4.151 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.675 -3.040 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.275 -2.883 -0.120 1.00 0.00 H new ATOM 649 N TYR A 47 8.554 -7.003 1.871 1.00 0.00 N ATOM 650 CA TYR A 47 8.309 -8.191 2.672 1.00 0.00 C ATOM 651 C TYR A 47 9.473 -8.457 3.628 1.00 0.00 C ATOM 652 O TYR A 47 10.627 -8.195 3.294 1.00 0.00 O ATOM 653 CB TYR A 47 8.202 -9.352 1.681 1.00 0.00 C ATOM 654 CG TYR A 47 9.471 -9.586 0.858 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.726 -8.806 -0.252 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.359 -10.576 1.225 1.00 0.00 C ATOM 657 CE1 TYR A 47 10.920 -9.026 -1.027 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.552 -10.796 0.449 1.00 0.00 C ATOM 659 CZ TYR A 47 11.774 -10.010 -0.638 1.00 0.00 C ATOM 660 OH TYR A 47 12.901 -10.218 -1.370 1.00 0.00 O ATOM 0 H TYR A 47 9.389 -7.047 1.286 1.00 0.00 H new ATOM 0 HA TYR A 47 7.408 -8.070 3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.963 -10.263 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.371 -9.161 1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.031 -8.031 -0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.160 -11.186 2.094 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.132 -8.423 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.255 -11.568 0.724 1.00 0.00 H new ATOM 0 HH TYR A 47 13.417 -10.951 -0.975 1.00 0.00 H new ATOM 670 N CYS A 48 9.129 -8.974 4.798 1.00 0.00 N ATOM 671 CA CYS A 48 10.131 -9.279 5.806 1.00 0.00 C ATOM 672 C CYS A 48 10.010 -10.759 6.171 1.00 0.00 C ATOM 673 O CYS A 48 8.963 -11.203 6.642 1.00 0.00 O ATOM 674 CB CYS A 48 9.993 -8.375 7.032 1.00 0.00 C ATOM 675 SG CYS A 48 11.325 -8.740 8.232 1.00 0.00 S ATOM 0 H CYS A 48 8.170 -9.190 5.071 1.00 0.00 H new ATOM 0 HA CYS A 48 11.126 -9.086 5.404 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.041 -7.329 6.730 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.020 -8.528 7.499 1.00 0.00 H new ATOM 0 HG CYS A 48 10.803 -9.164 9.344 1.00 0.00 H new ATOM 681 N LEU A 49 11.095 -11.483 5.942 1.00 0.00 N ATOM 682 CA LEU A 49 11.124 -12.905 6.241 1.00 0.00 C ATOM 683 C LEU A 49 11.060 -13.104 7.757 1.00 0.00 C ATOM 684 O LEU A 49 11.728 -12.394 8.508 1.00 0.00 O ATOM 685 CB LEU A 49 12.337 -13.567 5.584 1.00 0.00 C ATOM 686 CG LEU A 49 12.323 -13.626 4.056 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.655 -13.147 3.476 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.955 -15.028 3.565 1.00 0.00 C ATOM 0 H LEU A 49 11.961 -11.112 5.553 1.00 0.00 H new ATOM 0 HA LEU A 49 10.251 -13.401 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.233 -13.032 5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.422 -14.584 5.966 1.00 0.00 H new ATOM 0 HG LEU A 49 11.552 -12.945 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.618 -13.199 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.837 -12.117 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.461 -13.783 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.952 -15.043 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.686 -15.747 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.965 -15.294 3.934 1.00 0.00 H new ATOM 700 N GLU A 50 10.252 -14.072 8.161 1.00 0.00 N ATOM 701 CA GLU A 50 10.092 -14.373 9.574 1.00 0.00 C ATOM 702 C GLU A 50 11.460 -14.506 10.246 1.00 0.00 C ATOM 703 O GLU A 50 12.313 -15.263 9.783 1.00 0.00 O ATOM 704 CB GLU A 50 9.258 -15.640 9.774 1.00 0.00 C ATOM 705 CG GLU A 50 8.958 -15.871 11.256 1.00 0.00 C ATOM 706 CD GLU A 50 9.264 -17.315 11.659 1.00 0.00 C ATOM 707 OE1 GLU A 50 10.463 -17.609 11.853 1.00 0.00 O ATOM 708 OE2 GLU A 50 8.291 -18.093 11.764 1.00 0.00 O ATOM 0 H GLU A 50 9.701 -14.659 7.535 1.00 0.00 H new ATOM 0 HA GLU A 50 9.557 -13.547 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.324 -15.556 9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.793 -16.499 9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.552 -15.187 11.862 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.910 -15.648 11.458 1.00 0.00 H new ATOM 715 N GLY A 51 11.628 -13.758 11.327 1.00 0.00 N ATOM 716 CA GLY A 51 12.878 -13.782 12.067 1.00 0.00 C ATOM 717 C GLY A 51 13.766 -12.597 11.682 1.00 0.00 C ATOM 718 O GLY A 51 14.561 -12.124 12.493 1.00 0.00 O ATOM 0 H GLY A 51 10.919 -13.132 11.708 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.672 -13.754 13.137 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.405 -14.715 11.868 1.00 0.00 H new ATOM 722 N SER A 52 13.602 -12.152 10.445 1.00 0.00 N ATOM 723 CA SER A 52 14.378 -11.032 9.943 1.00 0.00 C ATOM 724 C SER A 52 13.762 -9.714 10.416 1.00 0.00 C ATOM 725 O SER A 52 12.548 -9.619 10.589 1.00 0.00 O ATOM 726 CB SER A 52 14.463 -11.060 8.416 1.00 0.00 C ATOM 727 OG SER A 52 15.089 -9.891 7.894 1.00 0.00 O ATOM 0 H SER A 52 12.942 -12.548 9.775 1.00 0.00 H new ATOM 0 HA SER A 52 15.391 -11.115 10.338 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.021 -11.942 8.100 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.460 -11.151 7.999 1.00 0.00 H new ATOM 0 HG SER A 52 15.125 -9.948 6.916 1.00 0.00 H new ATOM 733 N GLU A 53 14.627 -8.730 10.612 1.00 0.00 N ATOM 734 CA GLU A 53 14.182 -7.421 11.062 1.00 0.00 C ATOM 735 C GLU A 53 14.388 -6.382 9.958 1.00 0.00 C ATOM 736 O GLU A 53 14.333 -5.180 10.214 1.00 0.00 O ATOM 737 CB GLU A 53 14.905 -7.008 12.346 1.00 0.00 C ATOM 738 CG GLU A 53 13.926 -6.413 13.359 1.00 0.00 C ATOM 739 CD GLU A 53 13.567 -4.971 12.994 1.00 0.00 C ATOM 740 OE1 GLU A 53 12.777 -4.807 12.039 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.090 -4.065 13.678 1.00 0.00 O ATOM 0 H GLU A 53 15.633 -8.812 10.468 1.00 0.00 H new ATOM 0 HA GLU A 53 13.117 -7.478 11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.403 -7.874 12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.680 -6.278 12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.021 -7.019 13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.367 -6.441 14.355 1.00 0.00 H new ATOM 748 N GLU A 54 14.620 -6.883 8.754 1.00 0.00 N ATOM 749 CA GLU A 54 14.835 -6.014 7.610 1.00 0.00 C ATOM 750 C GLU A 54 13.777 -6.279 6.536 1.00 0.00 C ATOM 751 O GLU A 54 13.631 -7.407 6.069 1.00 0.00 O ATOM 752 CB GLU A 54 16.246 -6.188 7.045 1.00 0.00 C ATOM 753 CG GLU A 54 16.457 -5.304 5.814 1.00 0.00 C ATOM 754 CD GLU A 54 17.667 -4.387 5.999 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.869 -3.939 7.149 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.363 -4.154 4.987 1.00 0.00 O ATOM 0 H GLU A 54 14.664 -7.881 8.546 1.00 0.00 H new ATOM 0 HA GLU A 54 14.738 -4.980 7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.981 -5.935 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.409 -7.232 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.601 -5.929 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.565 -4.704 5.636 1.00 0.00 H new ATOM 763 N TRP A 55 13.067 -5.220 6.176 1.00 0.00 N ATOM 764 CA TRP A 55 12.028 -5.324 5.166 1.00 0.00 C ATOM 765 C TRP A 55 12.687 -5.179 3.793 1.00 0.00 C ATOM 766 O TRP A 55 13.326 -4.166 3.511 1.00 0.00 O ATOM 767 CB TRP A 55 10.921 -4.296 5.410 1.00 0.00 C ATOM 768 CG TRP A 55 9.996 -4.643 6.578 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.177 -4.382 7.880 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.729 -5.330 6.497 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.124 -4.848 8.640 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.216 -5.443 7.773 1.00 0.00 C ATOM 773 CE3 TRP A 55 8.040 -5.839 5.382 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.992 -6.061 8.055 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.818 -6.454 5.680 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.288 -6.576 6.959 1.00 0.00 C ATOM 0 H TRP A 55 13.191 -4.286 6.566 1.00 0.00 H new ATOM 0 HA TRP A 55 11.538 -6.296 5.216 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.377 -3.324 5.597 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.324 -4.198 4.503 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.039 -3.871 8.284 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.029 -4.770 9.653 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.423 -5.762 4.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.611 -6.137 9.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.247 -6.862 4.859 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.337 -7.066 7.107 1.00 0.00 H new ATOM 787 N VAL A 56 12.508 -6.205 2.974 1.00 0.00 N ATOM 788 CA VAL A 56 13.077 -6.205 1.637 1.00 0.00 C ATOM 789 C VAL A 56 12.060 -5.621 0.655 1.00 0.00 C ATOM 790 O VAL A 56 10.862 -5.877 0.771 1.00 0.00 O ATOM 791 CB VAL A 56 13.530 -7.617 1.261 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.117 -7.646 -0.152 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.530 -8.162 2.282 1.00 0.00 C ATOM 0 H VAL A 56 11.976 -7.043 3.211 1.00 0.00 H new ATOM 0 HA VAL A 56 13.964 -5.573 1.599 1.00 0.00 H new ATOM 0 HB VAL A 56 12.653 -8.265 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.431 -8.661 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.361 -7.319 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.977 -6.978 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.836 -9.167 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.405 -7.512 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.063 -8.196 3.266 1.00 0.00 H new ATOM 803 N PRO A 57 12.587 -4.827 -0.315 1.00 0.00 N ATOM 804 CA PRO A 57 11.738 -4.206 -1.317 1.00 0.00 C ATOM 805 C PRO A 57 11.277 -5.229 -2.357 1.00 0.00 C ATOM 806 O PRO A 57 12.090 -5.762 -3.111 1.00 0.00 O ATOM 807 CB PRO A 57 12.584 -3.093 -1.914 1.00 0.00 C ATOM 808 CG PRO A 57 14.024 -3.426 -1.557 1.00 0.00 C ATOM 809 CD PRO A 57 14.001 -4.502 -0.483 1.00 0.00 C ATOM 0 HA PRO A 57 10.815 -3.806 -0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.452 -3.039 -2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.296 -2.123 -1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.564 -3.776 -2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.543 -2.538 -1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.575 -5.377 -0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.438 -4.142 0.448 1.00 0.00 H new ATOM 817 N ALA A 58 9.975 -5.473 -2.363 1.00 0.00 N ATOM 818 CA ALA A 58 9.396 -6.423 -3.298 1.00 0.00 C ATOM 819 C ALA A 58 9.551 -5.888 -4.723 1.00 0.00 C ATOM 820 O ALA A 58 9.953 -6.622 -5.625 1.00 0.00 O ATOM 821 CB ALA A 58 7.934 -6.678 -2.927 1.00 0.00 C ATOM 0 H ALA A 58 9.304 -5.029 -1.735 1.00 0.00 H new ATOM 0 HA ALA A 58 9.917 -7.379 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.500 -7.391 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.880 -7.084 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.379 -5.741 -2.971 1.00 0.00 H new ATOM 827 N ASN A 59 9.225 -4.614 -4.882 1.00 0.00 N ATOM 828 CA ASN A 59 9.323 -3.973 -6.182 1.00 0.00 C ATOM 829 C ASN A 59 10.283 -2.785 -6.089 1.00 0.00 C ATOM 830 O ASN A 59 10.051 -1.854 -5.321 1.00 0.00 O ATOM 831 CB ASN A 59 7.962 -3.446 -6.640 1.00 0.00 C ATOM 832 CG ASN A 59 7.265 -2.676 -5.516 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.613 -2.777 -4.351 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.265 -1.902 -5.929 1.00 0.00 N ATOM 0 H ASN A 59 8.893 -4.008 -4.132 1.00 0.00 H new ATOM 0 HA ASN A 59 9.682 -4.713 -6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.092 -2.795 -7.505 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.334 -4.278 -6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.738 -1.347 -5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.025 -1.864 -6.920 1.00 0.00 H new ATOM 841 N LYS A 60 11.341 -2.857 -6.884 1.00 0.00 N ATOM 842 CA LYS A 60 12.337 -1.800 -6.901 1.00 0.00 C ATOM 843 C LYS A 60 11.638 -0.449 -7.067 1.00 0.00 C ATOM 844 O LYS A 60 12.082 0.556 -6.514 1.00 0.00 O ATOM 845 CB LYS A 60 13.397 -2.079 -7.968 1.00 0.00 C ATOM 846 CG LYS A 60 14.703 -2.560 -7.332 1.00 0.00 C ATOM 847 CD LYS A 60 15.914 -2.073 -8.131 1.00 0.00 C ATOM 848 CE LYS A 60 16.726 -3.253 -8.668 1.00 0.00 C ATOM 849 NZ LYS A 60 16.205 -3.684 -9.985 1.00 0.00 N ATOM 0 H LYS A 60 11.530 -3.631 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 60 12.874 -1.768 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.028 -2.833 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.582 -1.174 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.768 -2.195 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.709 -3.649 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.580 -1.449 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.546 -1.450 -7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.774 -2.969 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.682 -4.083 -7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.767 -4.486 -10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.211 -3.975 -9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.270 -2.895 -10.659 1.00 0.00 H new ATOM 863 N GLU A 61 10.556 -0.469 -7.831 1.00 0.00 N ATOM 864 CA GLU A 61 9.791 0.742 -8.077 1.00 0.00 C ATOM 865 C GLU A 61 8.330 0.539 -7.670 1.00 0.00 C ATOM 866 O GLU A 61 7.850 -0.592 -7.610 1.00 0.00 O ATOM 867 CB GLU A 61 9.897 1.169 -9.542 1.00 0.00 C ATOM 868 CG GLU A 61 11.344 1.087 -10.034 1.00 0.00 C ATOM 869 CD GLU A 61 11.408 1.145 -11.562 1.00 0.00 C ATOM 870 OE1 GLU A 61 11.099 0.104 -12.183 1.00 0.00 O ATOM 871 OE2 GLU A 61 11.764 2.228 -12.074 1.00 0.00 O ATOM 0 H GLU A 61 10.191 -1.305 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 61 10.210 1.543 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.263 0.530 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.528 2.188 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.923 1.908 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.800 0.161 -9.682 1.00 0.00 H new ATOM 878 N PRO A 62 7.647 1.681 -7.392 1.00 0.00 N ATOM 879 CA PRO A 62 6.251 1.640 -6.992 1.00 0.00 C ATOM 880 C PRO A 62 5.345 1.348 -8.190 1.00 0.00 C ATOM 881 O PRO A 62 5.601 1.823 -9.296 1.00 0.00 O ATOM 882 CB PRO A 62 5.982 2.996 -6.361 1.00 0.00 C ATOM 883 CG PRO A 62 7.096 3.910 -6.846 1.00 0.00 C ATOM 884 CD PRO A 62 8.184 3.038 -7.452 1.00 0.00 C ATOM 0 HA PRO A 62 6.040 0.838 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.006 3.378 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.979 2.927 -5.273 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.716 4.615 -7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.494 4.498 -6.019 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.402 3.333 -8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.116 3.121 -6.892 1.00 0.00 H new ATOM 892 N VAL A 63 4.306 0.569 -7.930 1.00 0.00 N ATOM 893 CA VAL A 63 3.361 0.209 -8.973 1.00 0.00 C ATOM 894 C VAL A 63 2.214 1.221 -8.988 1.00 0.00 C ATOM 895 O VAL A 63 1.955 1.885 -7.986 1.00 0.00 O ATOM 896 CB VAL A 63 2.885 -1.232 -8.774 1.00 0.00 C ATOM 897 CG1 VAL A 63 4.071 -2.179 -8.580 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.908 -1.329 -7.600 1.00 0.00 C ATOM 0 H VAL A 63 4.098 0.177 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 63 3.840 0.246 -9.951 1.00 0.00 H new ATOM 0 HB VAL A 63 2.356 -1.538 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.705 -3.196 -8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.714 -2.142 -9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.640 -1.875 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.585 -2.363 -7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.401 -0.995 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.041 -0.698 -7.795 1.00 0.00 H new ATOM 908 N GLU A 64 1.557 1.306 -10.135 1.00 0.00 N ATOM 909 CA GLU A 64 0.443 2.225 -10.294 1.00 0.00 C ATOM 910 C GLU A 64 -0.875 1.527 -9.951 1.00 0.00 C ATOM 911 O GLU A 64 -1.805 2.159 -9.453 1.00 0.00 O ATOM 912 CB GLU A 64 0.405 2.802 -11.710 1.00 0.00 C ATOM 913 CG GLU A 64 1.666 3.618 -12.003 1.00 0.00 C ATOM 914 CD GLU A 64 1.325 4.899 -12.767 1.00 0.00 C ATOM 915 OE1 GLU A 64 0.916 4.768 -13.941 1.00 0.00 O ATOM 916 OE2 GLU A 64 1.480 5.981 -12.160 1.00 0.00 O ATOM 0 H GLU A 64 1.775 0.753 -10.964 1.00 0.00 H new ATOM 0 HA GLU A 64 0.582 3.056 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.315 1.992 -12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.476 3.433 -11.826 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.166 3.870 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.365 3.018 -12.586 1.00 0.00 H new ATOM 923 N ARG A 65 -0.912 0.233 -10.232 1.00 0.00 N ATOM 924 CA ARG A 65 -2.100 -0.558 -9.959 1.00 0.00 C ATOM 925 C ARG A 65 -2.297 -0.718 -8.451 1.00 0.00 C ATOM 926 O ARG A 65 -1.395 -0.422 -7.668 1.00 0.00 O ATOM 927 CB ARG A 65 -2.000 -1.943 -10.603 1.00 0.00 C ATOM 928 CG ARG A 65 -0.796 -2.714 -10.058 1.00 0.00 C ATOM 929 CD ARG A 65 -1.021 -4.224 -10.160 1.00 0.00 C ATOM 930 NE ARG A 65 0.280 -4.926 -10.228 1.00 0.00 N ATOM 931 CZ ARG A 65 0.430 -6.193 -10.640 1.00 0.00 C ATOM 932 NH1 ARG A 65 -0.639 -6.904 -11.022 1.00 0.00 N ATOM 933 NH2 ARG A 65 1.649 -6.748 -10.668 1.00 0.00 N ATOM 0 H ARG A 65 -0.139 -0.288 -10.646 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.953 -0.032 -10.386 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.914 -2.505 -10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.911 -1.840 -11.684 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.100 -2.438 -10.614 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.623 -2.438 -9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.588 -4.575 -9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.614 -4.453 -11.046 1.00 0.00 H new ATOM 0 HE ARG A 65 1.115 -4.414 -9.944 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.567 -6.481 -10.999 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.525 -7.868 -11.335 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.463 -6.207 -10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.763 -7.712 -10.981 1.00 0.00 H new ATOM 947 N CYS A 66 -3.483 -1.185 -8.087 1.00 0.00 N ATOM 948 CA CYS A 66 -3.810 -1.387 -6.686 1.00 0.00 C ATOM 949 C CYS A 66 -3.449 -2.826 -6.311 1.00 0.00 C ATOM 950 O CYS A 66 -4.263 -3.543 -5.732 1.00 0.00 O ATOM 951 CB CYS A 66 -5.280 -1.074 -6.397 1.00 0.00 C ATOM 952 SG CYS A 66 -6.354 -2.327 -7.186 1.00 0.00 S ATOM 0 H CYS A 66 -4.229 -1.429 -8.738 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.232 -0.696 -6.072 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.453 -1.061 -5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.529 -0.081 -6.772 1.00 0.00 H new ATOM 0 HG CYS A 66 -5.938 -3.517 -6.868 1.00 0.00 H new ATOM 958 N GLY A 67 -2.228 -3.205 -6.657 1.00 0.00 N ATOM 959 CA GLY A 67 -1.749 -4.545 -6.365 1.00 0.00 C ATOM 960 C GLY A 67 -0.365 -4.779 -6.974 1.00 0.00 C ATOM 961 O GLY A 67 0.217 -3.871 -7.566 1.00 0.00 O ATOM 0 H GLY A 67 -1.555 -2.607 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.705 -4.692 -5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.452 -5.280 -6.758 1.00 0.00 H new ATOM 965 N PHE A 68 0.122 -5.999 -6.807 1.00 0.00 N ATOM 966 CA PHE A 68 1.427 -6.363 -7.332 1.00 0.00 C ATOM 967 C PHE A 68 1.692 -7.860 -7.155 1.00 0.00 C ATOM 968 O PHE A 68 0.933 -8.552 -6.477 1.00 0.00 O ATOM 969 CB PHE A 68 2.466 -5.575 -6.534 1.00 0.00 C ATOM 970 CG PHE A 68 3.912 -5.853 -6.950 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.348 -5.481 -8.183 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.761 -6.472 -6.086 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.690 -5.739 -8.569 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.103 -6.730 -6.473 1.00 0.00 C ATOM 975 CZ PHE A 68 6.539 -6.358 -7.706 1.00 0.00 C ATOM 0 H PHE A 68 -0.364 -6.749 -6.315 1.00 0.00 H new ATOM 0 HA PHE A 68 1.475 -6.137 -8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.265 -4.510 -6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.351 -5.810 -5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.674 -4.989 -8.869 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.415 -6.767 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.036 -5.443 -9.548 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.777 -7.222 -5.788 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.560 -6.554 -8.000 1.00 0.00 H new ATOM 985 N THR A 69 2.770 -8.315 -7.774 1.00 0.00 N ATOM 986 CA THR A 69 3.145 -9.716 -7.693 1.00 0.00 C ATOM 987 C THR A 69 4.616 -9.853 -7.297 1.00 0.00 C ATOM 988 O THR A 69 5.500 -9.362 -7.998 1.00 0.00 O ATOM 989 CB THR A 69 2.813 -10.373 -9.035 1.00 0.00 C ATOM 990 OG1 THR A 69 1.411 -10.616 -8.965 1.00 0.00 O ATOM 991 CG2 THR A 69 3.427 -11.768 -9.171 1.00 0.00 C ATOM 0 H THR A 69 3.397 -7.738 -8.335 1.00 0.00 H new ATOM 0 HA THR A 69 2.582 -10.231 -6.914 1.00 0.00 H new ATOM 0 HB THR A 69 3.168 -9.739 -9.847 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.110 -11.039 -9.796 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.161 -12.190 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.512 -11.697 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.046 -12.412 -8.379 1.00 0.00 H new ATOM 999 N VAL A 70 4.834 -10.523 -6.175 1.00 0.00 N ATOM 1000 CA VAL A 70 6.183 -10.730 -5.677 1.00 0.00 C ATOM 1001 C VAL A 70 6.749 -12.021 -6.272 1.00 0.00 C ATOM 1002 O VAL A 70 5.996 -12.920 -6.644 1.00 0.00 O ATOM 1003 CB VAL A 70 6.183 -10.727 -4.147 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.608 -10.631 -3.598 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.307 -9.598 -3.601 1.00 0.00 C ATOM 0 H VAL A 70 4.099 -10.930 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 70 6.835 -9.914 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 70 5.758 -11.673 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.579 -10.631 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.190 -11.485 -3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.072 -9.709 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.324 -9.618 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.688 -8.639 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.283 -9.731 -3.950 1.00 0.00 H new ATOM 1015 N LYS A 71 8.071 -12.073 -6.343 1.00 0.00 N ATOM 1016 CA LYS A 71 8.746 -13.239 -6.886 1.00 0.00 C ATOM 1017 C LYS A 71 9.965 -13.567 -6.021 1.00 0.00 C ATOM 1018 O LYS A 71 10.340 -12.785 -5.149 1.00 0.00 O ATOM 1019 CB LYS A 71 9.081 -13.024 -8.364 1.00 0.00 C ATOM 1020 CG LYS A 71 9.978 -11.799 -8.550 1.00 0.00 C ATOM 1021 CD LYS A 71 9.756 -11.160 -9.922 1.00 0.00 C ATOM 1022 CE LYS A 71 8.453 -10.358 -9.949 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.665 -9.046 -10.599 1.00 0.00 N ATOM 0 H LYS A 71 8.693 -11.326 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 71 8.089 -14.108 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.580 -13.908 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.161 -12.895 -8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.770 -11.069 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.023 -12.090 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.594 -10.506 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.726 -11.935 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.686 -10.917 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.088 -10.212 -8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.771 -8.515 -10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.381 -8.508 -10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.992 -9.191 -11.575 1.00 0.00 H new ATOM 1037 N ASP A 72 10.549 -14.725 -6.292 1.00 0.00 N ATOM 1038 CA ASP A 72 11.717 -15.166 -5.549 1.00 0.00 C ATOM 1039 C ASP A 72 11.374 -15.231 -4.060 1.00 0.00 C ATOM 1040 O ASP A 72 11.690 -14.312 -3.306 1.00 0.00 O ATOM 1041 CB ASP A 72 12.882 -14.189 -5.724 1.00 0.00 C ATOM 1042 CG ASP A 72 14.271 -14.798 -5.528 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.353 -16.045 -5.553 1.00 0.00 O ATOM 1044 OD2 ASP A 72 15.221 -14.003 -5.358 1.00 0.00 O ATOM 0 H ASP A 72 10.235 -15.371 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 72 12.008 -16.146 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.828 -13.758 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.758 -13.369 -5.017 1.00 0.00 H new ATOM 1049 N LEU A 73 10.732 -16.326 -3.680 1.00 0.00 N ATOM 1050 CA LEU A 73 10.343 -16.523 -2.294 1.00 0.00 C ATOM 1051 C LEU A 73 10.509 -18.000 -1.928 1.00 0.00 C ATOM 1052 O LEU A 73 10.316 -18.877 -2.768 1.00 0.00 O ATOM 1053 CB LEU A 73 8.932 -15.984 -2.052 1.00 0.00 C ATOM 1054 CG LEU A 73 8.641 -14.590 -2.612 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.135 -14.332 -2.687 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.368 -13.513 -1.804 1.00 0.00 C ATOM 0 H LEU A 73 10.471 -17.086 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 73 10.994 -15.954 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.218 -16.684 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.750 -15.967 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 73 9.026 -14.544 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.956 -13.334 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.671 -15.073 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.703 -14.404 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.145 -12.532 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.035 -13.550 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.443 -13.690 -1.847 1.00 0.00 H new ATOM 1068 N PRO A 74 10.873 -18.234 -0.639 1.00 0.00 N ATOM 1069 CA PRO A 74 11.067 -19.589 -0.150 1.00 0.00 C ATOM 1070 C PRO A 74 9.725 -20.291 0.065 1.00 0.00 C ATOM 1071 O PRO A 74 8.907 -19.841 0.866 1.00 0.00 O ATOM 1072 CB PRO A 74 11.869 -19.434 1.131 1.00 0.00 C ATOM 1073 CG PRO A 74 11.697 -17.986 1.559 1.00 0.00 C ATOM 1074 CD PRO A 74 11.110 -17.220 0.384 1.00 0.00 C ATOM 0 HA PRO A 74 11.598 -20.221 -0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.508 -20.115 1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.920 -19.670 0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.039 -17.919 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.655 -17.558 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.185 -16.715 0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.797 -16.452 0.029 1.00 0.00 H new ATOM 1082 N THR A 75 9.540 -21.382 -0.663 1.00 0.00 N ATOM 1083 CA THR A 75 8.312 -22.151 -0.561 1.00 0.00 C ATOM 1084 C THR A 75 8.154 -22.720 0.850 1.00 0.00 C ATOM 1085 O THR A 75 8.976 -23.518 1.297 1.00 0.00 O ATOM 1086 CB THR A 75 8.334 -23.225 -1.651 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.331 -22.485 -2.868 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.037 -24.034 -1.702 1.00 0.00 C ATOM 0 H THR A 75 10.221 -21.752 -1.326 1.00 0.00 H new ATOM 0 HA THR A 75 7.437 -21.521 -0.723 1.00 0.00 H new ATOM 0 HB THR A 75 9.174 -23.898 -1.480 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.804 -21.667 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.105 -24.782 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.880 -24.531 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.200 -23.367 -1.906 1.00 0.00 H new ATOM 1096 N GLY A 76 7.091 -22.287 1.513 1.00 0.00 N ATOM 1097 CA GLY A 76 6.815 -22.743 2.864 1.00 0.00 C ATOM 1098 C GLY A 76 7.525 -21.864 3.896 1.00 0.00 C ATOM 1099 O GLY A 76 8.149 -22.372 4.826 1.00 0.00 O ATOM 0 H GLY A 76 6.411 -21.625 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.740 -22.726 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.141 -23.777 2.976 1.00 0.00 H new ATOM 1103 N ALA A 77 7.407 -20.560 3.696 1.00 0.00 N ATOM 1104 CA ALA A 77 8.030 -19.605 4.597 1.00 0.00 C ATOM 1105 C ALA A 77 7.024 -18.504 4.941 1.00 0.00 C ATOM 1106 O ALA A 77 6.397 -17.931 4.052 1.00 0.00 O ATOM 1107 CB ALA A 77 9.303 -19.051 3.954 1.00 0.00 C ATOM 0 H ALA A 77 6.889 -20.142 2.923 1.00 0.00 H new ATOM 0 HA ALA A 77 8.320 -20.090 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.770 -18.335 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.996 -19.869 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.051 -18.554 3.017 1.00 0.00 H new ATOM 1113 N ARG A 78 6.902 -18.241 6.234 1.00 0.00 N ATOM 1114 CA ARG A 78 5.984 -17.219 6.707 1.00 0.00 C ATOM 1115 C ARG A 78 6.570 -15.827 6.467 1.00 0.00 C ATOM 1116 O ARG A 78 7.390 -15.351 7.251 1.00 0.00 O ATOM 1117 CB ARG A 78 5.689 -17.391 8.198 1.00 0.00 C ATOM 1118 CG ARG A 78 4.595 -18.436 8.424 1.00 0.00 C ATOM 1119 CD ARG A 78 3.995 -18.309 9.826 1.00 0.00 C ATOM 1120 NE ARG A 78 4.165 -19.579 10.566 1.00 0.00 N ATOM 1121 CZ ARG A 78 3.336 -20.626 10.462 1.00 0.00 C ATOM 1122 NH1 ARG A 78 2.274 -20.561 9.648 1.00 0.00 N ATOM 1123 NH2 ARG A 78 3.568 -21.738 11.173 1.00 0.00 N ATOM 0 H ARG A 78 7.424 -18.718 6.969 1.00 0.00 H new ATOM 0 HA ARG A 78 5.053 -17.326 6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.598 -17.692 8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.379 -16.437 8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.811 -18.314 7.677 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.009 -19.435 8.291 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.480 -17.496 10.366 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.937 -18.058 9.756 1.00 0.00 H new ATOM 0 HE ARG A 78 4.964 -19.662 11.195 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.097 -19.714 9.108 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.643 -21.358 9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.376 -21.787 11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.937 -22.535 11.094 1.00 0.00 H new ATOM 1137 N ILE A 79 6.127 -15.212 5.379 1.00 0.00 N ATOM 1138 CA ILE A 79 6.598 -13.884 5.026 1.00 0.00 C ATOM 1139 C ILE A 79 5.444 -12.888 5.154 1.00 0.00 C ATOM 1140 O ILE A 79 4.316 -13.186 4.763 1.00 0.00 O ATOM 1141 CB ILE A 79 7.249 -13.896 3.642 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.374 -14.932 3.574 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.733 -12.498 3.251 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.802 -15.182 2.127 1.00 0.00 C ATOM 0 H ILE A 79 5.447 -15.610 4.731 1.00 0.00 H new ATOM 0 HA ILE A 79 7.377 -13.561 5.716 1.00 0.00 H new ATOM 0 HB ILE A 79 6.495 -14.191 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.228 -14.585 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.040 -15.867 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.192 -12.535 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.886 -11.812 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.466 -12.150 3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.602 -15.922 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.951 -15.552 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.158 -14.251 1.687 1.00 0.00 H new ATOM 1156 N LEU A 80 5.765 -11.725 5.703 1.00 0.00 N ATOM 1157 CA LEU A 80 4.769 -10.684 5.887 1.00 0.00 C ATOM 1158 C LEU A 80 4.928 -9.632 4.788 1.00 0.00 C ATOM 1159 O LEU A 80 6.026 -9.123 4.565 1.00 0.00 O ATOM 1160 CB LEU A 80 4.848 -10.111 7.303 1.00 0.00 C ATOM 1161 CG LEU A 80 4.132 -10.912 8.392 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.566 -10.453 9.785 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.614 -10.844 8.213 1.00 0.00 C ATOM 0 H LEU A 80 6.701 -11.481 6.026 1.00 0.00 H new ATOM 0 HA LEU A 80 3.765 -11.097 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.899 -10.020 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.433 -9.103 7.289 1.00 0.00 H new ATOM 0 HG LEU A 80 4.422 -11.958 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.042 -11.038 10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.641 -10.595 9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.325 -9.398 9.912 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.129 -11.421 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.287 -9.806 8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.343 -11.256 7.241 1.00 0.00 H new ATOM 1175 N PHE A 81 3.817 -9.337 4.129 1.00 0.00 N ATOM 1176 CA PHE A 81 3.820 -8.354 3.059 1.00 0.00 C ATOM 1177 C PHE A 81 3.253 -7.017 3.541 1.00 0.00 C ATOM 1178 O PHE A 81 2.338 -6.986 4.362 1.00 0.00 O ATOM 1179 CB PHE A 81 2.924 -8.902 1.946 1.00 0.00 C ATOM 1180 CG PHE A 81 3.445 -10.190 1.305 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.730 -10.258 0.864 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.625 -11.267 1.177 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.214 -11.453 0.269 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.108 -12.462 0.583 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.393 -12.530 0.141 1.00 0.00 C ATOM 0 H PHE A 81 2.909 -9.762 4.315 1.00 0.00 H new ATOM 0 HA PHE A 81 4.840 -8.183 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.930 -9.087 2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.816 -8.141 1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.382 -9.403 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.605 -11.213 1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.234 -11.507 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.456 -13.317 0.482 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.761 -13.439 -0.311 1.00 0.00 H new ATOM 1195 N ARG A 82 3.821 -5.944 3.009 1.00 0.00 N ATOM 1196 CA ARG A 82 3.384 -4.607 3.374 1.00 0.00 C ATOM 1197 C ARG A 82 3.402 -3.690 2.150 1.00 0.00 C ATOM 1198 O ARG A 82 4.230 -3.857 1.256 1.00 0.00 O ATOM 1199 CB ARG A 82 4.282 -4.013 4.461 1.00 0.00 C ATOM 1200 CG ARG A 82 5.701 -3.784 3.936 1.00 0.00 C ATOM 1201 CD ARG A 82 6.174 -2.360 4.236 1.00 0.00 C ATOM 1202 NE ARG A 82 7.487 -2.397 4.918 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.374 -1.393 4.894 1.00 0.00 C ATOM 1204 NH1 ARG A 82 8.095 -0.268 4.222 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.541 -1.514 5.542 1.00 0.00 N ATOM 0 H ARG A 82 4.580 -5.974 2.328 1.00 0.00 H new ATOM 0 HA ARG A 82 2.367 -4.684 3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.862 -3.069 4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.312 -4.684 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.382 -4.501 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.728 -3.961 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.252 -1.791 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.443 -1.850 4.863 1.00 0.00 H new ATOM 0 HE ARG A 82 7.732 -3.239 5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.207 -0.176 3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.770 0.496 4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.754 -2.370 6.053 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.216 -0.750 5.524 1.00 0.00 H new ATOM 1219 N VAL A 83 2.477 -2.741 2.148 1.00 0.00 N ATOM 1220 CA VAL A 83 2.375 -1.798 1.048 1.00 0.00 C ATOM 1221 C VAL A 83 2.348 -0.373 1.605 1.00 0.00 C ATOM 1222 O VAL A 83 1.673 -0.104 2.597 1.00 0.00 O ATOM 1223 CB VAL A 83 1.153 -2.127 0.187 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.640 -0.880 -0.536 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.469 -3.246 -0.807 1.00 0.00 C ATOM 0 H VAL A 83 1.792 -2.605 2.891 1.00 0.00 H new ATOM 0 HA VAL A 83 3.245 -1.876 0.396 1.00 0.00 H new ATOM 0 HB VAL A 83 0.362 -2.480 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.228 -1.141 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.357 -0.125 0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.425 -0.484 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.584 -3.461 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.283 -2.933 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.765 -4.143 -0.263 1.00 0.00 H new ATOM 1235 N VAL A 84 3.089 0.502 0.941 1.00 0.00 N ATOM 1236 CA VAL A 84 3.158 1.892 1.358 1.00 0.00 C ATOM 1237 C VAL A 84 3.020 2.795 0.130 1.00 0.00 C ATOM 1238 O VAL A 84 3.699 2.591 -0.875 1.00 0.00 O ATOM 1239 CB VAL A 84 4.450 2.141 2.140 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.279 1.767 3.614 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.623 1.384 1.515 1.00 0.00 C ATOM 0 H VAL A 84 3.647 0.275 0.118 1.00 0.00 H new ATOM 0 HA VAL A 84 2.335 2.130 2.032 1.00 0.00 H new ATOM 0 HB VAL A 84 4.673 3.207 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.211 1.953 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.484 2.370 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.020 0.711 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.529 1.578 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.411 0.315 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.766 1.719 0.488 1.00 0.00 H new ATOM 1251 N GLY A 85 2.135 3.774 0.252 1.00 0.00 N ATOM 1252 CA GLY A 85 1.899 4.709 -0.835 1.00 0.00 C ATOM 1253 C GLY A 85 3.004 5.765 -0.900 1.00 0.00 C ATOM 1254 O GLY A 85 3.180 6.543 0.036 1.00 0.00 O ATOM 0 H GLY A 85 1.573 3.940 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.852 4.169 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.934 5.196 -0.697 1.00 0.00 H new ATOM 1258 N VAL A 86 3.720 5.758 -2.015 1.00 0.00 N ATOM 1259 CA VAL A 86 4.804 6.706 -2.214 1.00 0.00 C ATOM 1260 C VAL A 86 4.250 7.979 -2.856 1.00 0.00 C ATOM 1261 O VAL A 86 3.185 7.956 -3.471 1.00 0.00 O ATOM 1262 CB VAL A 86 5.920 6.059 -3.036 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.612 4.948 -2.243 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.384 5.530 -4.368 1.00 0.00 C ATOM 0 H VAL A 86 3.571 5.111 -2.790 1.00 0.00 H new ATOM 0 HA VAL A 86 5.245 6.989 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 86 6.663 6.826 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.401 4.505 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.045 5.365 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.883 4.181 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.198 5.075 -4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.612 4.784 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.960 6.354 -4.942 1.00 0.00 H new ATOM 1274 N ASN A 87 4.997 9.061 -2.690 1.00 0.00 N ATOM 1275 CA ASN A 87 4.594 10.341 -3.245 1.00 0.00 C ATOM 1276 C ASN A 87 5.570 11.424 -2.780 1.00 0.00 C ATOM 1277 O ASN A 87 6.487 11.148 -2.008 1.00 0.00 O ATOM 1278 CB ASN A 87 3.193 10.732 -2.770 1.00 0.00 C ATOM 1279 CG ASN A 87 3.046 10.516 -1.262 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.636 9.623 -0.676 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.228 11.381 -0.669 1.00 0.00 N ATOM 0 H ASN A 87 5.879 9.077 -2.179 1.00 0.00 H new ATOM 0 HA ASN A 87 4.594 10.252 -4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.002 11.777 -3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.447 10.140 -3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.063 11.320 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.766 12.105 -1.219 1.00 0.00 H new ATOM 1288 N ILE A 88 5.340 12.633 -3.270 1.00 0.00 N ATOM 1289 CA ILE A 88 6.187 13.759 -2.914 1.00 0.00 C ATOM 1290 C ILE A 88 6.324 13.827 -1.392 1.00 0.00 C ATOM 1291 O ILE A 88 7.415 14.062 -0.873 1.00 0.00 O ATOM 1292 CB ILE A 88 5.656 15.049 -3.542 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.730 16.139 -3.546 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.374 15.510 -2.847 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.864 16.772 -4.933 1.00 0.00 C ATOM 0 H ILE A 88 4.579 12.858 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 88 7.190 13.624 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 88 5.402 14.843 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.477 16.907 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.686 15.713 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.018 16.429 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.611 14.737 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.578 15.693 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.634 17.543 -4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.141 16.006 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.913 17.218 -5.223 1.00 0.00 H new ATOM 1307 N ALA A 89 5.202 13.618 -0.719 1.00 0.00 N ATOM 1308 CA ALA A 89 5.183 13.653 0.734 1.00 0.00 C ATOM 1309 C ALA A 89 6.120 12.572 1.278 1.00 0.00 C ATOM 1310 O ALA A 89 6.605 12.676 2.403 1.00 0.00 O ATOM 1311 CB ALA A 89 3.746 13.482 1.230 1.00 0.00 C ATOM 0 H ALA A 89 4.300 13.424 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 89 5.542 14.615 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.732 13.508 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.128 14.290 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.353 12.526 0.885 1.00 0.00 H new ATOM 1317 N GLY A 90 6.346 11.560 0.453 1.00 0.00 N ATOM 1318 CA GLY A 90 7.216 10.462 0.838 1.00 0.00 C ATOM 1319 C GLY A 90 6.443 9.143 0.892 1.00 0.00 C ATOM 1320 O GLY A 90 5.861 8.719 -0.105 1.00 0.00 O ATOM 0 H GLY A 90 5.942 11.478 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.037 10.377 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.659 10.668 1.812 1.00 0.00 H new ATOM 1324 N ARG A 91 6.462 8.531 2.067 1.00 0.00 N ATOM 1325 CA ARG A 91 5.769 7.269 2.264 1.00 0.00 C ATOM 1326 C ARG A 91 4.720 7.406 3.369 1.00 0.00 C ATOM 1327 O ARG A 91 4.801 8.311 4.198 1.00 0.00 O ATOM 1328 CB ARG A 91 6.750 6.155 2.637 1.00 0.00 C ATOM 1329 CG ARG A 91 7.520 6.506 3.912 1.00 0.00 C ATOM 1330 CD ARG A 91 7.192 5.524 5.039 1.00 0.00 C ATOM 1331 NE ARG A 91 7.741 6.022 6.320 1.00 0.00 N ATOM 1332 CZ ARG A 91 7.535 5.432 7.505 1.00 0.00 C ATOM 1333 NH1 ARG A 91 6.791 4.320 7.580 1.00 0.00 N ATOM 1334 NH2 ARG A 91 8.073 5.955 8.616 1.00 0.00 N ATOM 0 H ARG A 91 6.946 8.885 2.892 1.00 0.00 H new ATOM 0 HA ARG A 91 5.280 7.009 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.207 5.221 2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.451 5.993 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.591 6.489 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.270 7.520 4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.112 5.399 5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.610 4.543 4.811 1.00 0.00 H new ATOM 0 HE ARG A 91 8.312 6.867 6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.381 3.923 6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.634 3.871 8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.639 6.802 8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.916 5.506 9.518 1.00 0.00 H new ATOM 1348 N SER A 92 3.758 6.495 3.345 1.00 0.00 N ATOM 1349 CA SER A 92 2.694 6.503 4.334 1.00 0.00 C ATOM 1350 C SER A 92 2.776 5.245 5.201 1.00 0.00 C ATOM 1351 O SER A 92 3.704 4.450 5.061 1.00 0.00 O ATOM 1352 CB SER A 92 1.321 6.600 3.666 1.00 0.00 C ATOM 1353 OG SER A 92 0.933 5.368 3.064 1.00 0.00 O ATOM 0 H SER A 92 3.693 5.746 2.656 1.00 0.00 H new ATOM 0 HA SER A 92 2.822 7.381 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.577 6.892 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.341 7.384 2.908 1.00 0.00 H new ATOM 0 HG SER A 92 0.358 5.548 2.292 1.00 0.00 H new ATOM 1359 N GLU A 93 1.791 5.103 6.076 1.00 0.00 N ATOM 1360 CA GLU A 93 1.740 3.955 6.965 1.00 0.00 C ATOM 1361 C GLU A 93 1.650 2.660 6.155 1.00 0.00 C ATOM 1362 O GLU A 93 0.856 2.562 5.221 1.00 0.00 O ATOM 1363 CB GLU A 93 0.570 4.072 7.944 1.00 0.00 C ATOM 1364 CG GLU A 93 0.108 2.691 8.414 1.00 0.00 C ATOM 1365 CD GLU A 93 -0.576 2.777 9.780 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -1.089 3.874 10.089 1.00 0.00 O ATOM 1367 OE2 GLU A 93 -0.572 1.744 10.483 1.00 0.00 O ATOM 0 H GLU A 93 1.022 5.764 6.188 1.00 0.00 H new ATOM 0 HA GLU A 93 2.660 3.931 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.869 4.671 8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.259 4.593 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.581 2.266 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.963 2.018 8.473 1.00 0.00 H new ATOM 1374 N PRO A 94 2.497 1.674 6.553 1.00 0.00 N ATOM 1375 CA PRO A 94 2.521 0.389 5.874 1.00 0.00 C ATOM 1376 C PRO A 94 1.304 -0.455 6.256 1.00 0.00 C ATOM 1377 O PRO A 94 1.121 -0.796 7.424 1.00 0.00 O ATOM 1378 CB PRO A 94 3.839 -0.248 6.285 1.00 0.00 C ATOM 1379 CG PRO A 94 4.287 0.491 7.536 1.00 0.00 C ATOM 1380 CD PRO A 94 3.452 1.755 7.655 1.00 0.00 C ATOM 0 HA PRO A 94 2.461 0.484 4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.713 -1.312 6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.581 -0.158 5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.157 -0.137 8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.347 0.738 7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.943 1.804 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.072 2.648 7.577 1.00 0.00 H new ATOM 1388 N ALA A 95 0.502 -0.769 5.249 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.693 -1.567 5.464 1.00 0.00 C ATOM 1390 C ALA A 95 -0.295 -3.031 5.657 1.00 0.00 C ATOM 1391 O ALA A 95 -0.696 -3.895 4.877 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.655 -1.373 4.290 1.00 0.00 C ATOM 0 H ALA A 95 0.657 -0.485 4.282 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.212 -1.245 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.551 -1.972 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.930 -0.321 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.170 -1.688 3.366 1.00 0.00 H new ATOM 1398 N THR A 96 0.489 -3.266 6.698 1.00 0.00 N ATOM 1399 CA THR A 96 0.945 -4.612 7.003 1.00 0.00 C ATOM 1400 C THR A 96 -0.223 -5.598 6.941 1.00 0.00 C ATOM 1401 O THR A 96 -1.345 -5.262 7.317 1.00 0.00 O ATOM 1402 CB THR A 96 1.640 -4.578 8.366 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.347 -3.341 8.365 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.739 -5.635 8.489 1.00 0.00 C ATOM 0 H THR A 96 0.820 -2.547 7.341 1.00 0.00 H new ATOM 0 HA THR A 96 1.665 -4.963 6.263 1.00 0.00 H new ATOM 0 HB THR A 96 0.902 -4.729 9.153 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.825 -3.237 9.214 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.200 -5.568 9.474 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.306 -6.627 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.495 -5.465 7.723 1.00 0.00 H new ATOM 1412 N LEU A 97 0.081 -6.796 6.463 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.929 -7.834 6.346 1.00 0.00 C ATOM 1414 C LEU A 97 -1.325 -8.314 7.744 1.00 0.00 C ATOM 1415 O LEU A 97 -0.519 -8.265 8.672 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.443 -8.955 5.426 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.667 -8.737 3.928 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.174 -9.939 3.120 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.132 -8.411 3.634 1.00 0.00 C ATOM 0 H LEU A 97 1.013 -7.071 6.152 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.830 -7.437 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.624 -9.101 5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.942 -9.879 5.717 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.077 -7.875 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.345 -9.759 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.892 -10.084 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.717 -10.832 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.263 -8.261 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.762 -9.237 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.416 -7.503 4.165 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.565 -8.767 7.851 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.077 -9.256 9.120 1.00 0.00 C ATOM 1433 C LEU A 98 -2.428 -10.604 9.442 1.00 0.00 C ATOM 1434 O LEU A 98 -2.160 -10.906 10.603 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.606 -9.299 9.100 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.312 -7.956 8.901 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.444 -8.078 7.879 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.804 -7.392 10.236 1.00 0.00 C ATOM 0 H LEU A 98 -3.231 -8.806 7.079 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.811 -8.573 9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.920 -9.974 8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.950 -9.732 10.039 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.589 -7.247 8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.929 -7.110 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.037 -8.404 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.174 -8.808 8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.302 -6.437 10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.506 -8.092 10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.955 -7.245 10.904 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.194 -11.377 8.392 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.582 -12.686 8.548 1.00 0.00 C ATOM 1452 C GLN A 99 -0.465 -12.875 7.519 1.00 0.00 C ATOM 1453 O GLN A 99 -0.524 -12.318 6.424 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.627 -13.797 8.434 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.509 -13.851 9.683 1.00 0.00 C ATOM 1456 CD GLN A 99 -2.790 -14.562 10.832 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -2.104 -15.555 10.649 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -2.984 -14.000 12.022 1.00 0.00 N ATOM 0 H GLN A 99 -2.417 -11.122 7.430 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.145 -12.745 9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.247 -13.629 7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.129 -14.757 8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.777 -12.839 9.987 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.439 -14.371 9.454 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.570 -13.169 12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.546 -14.400 12.852 1.00 0.00 H new ATOM 1467 N PRO A 100 0.552 -13.685 7.918 1.00 0.00 N ATOM 1468 CA PRO A 100 1.680 -13.955 7.043 1.00 0.00 C ATOM 1469 C PRO A 100 1.291 -14.933 5.933 1.00 0.00 C ATOM 1470 O PRO A 100 0.178 -15.456 5.923 1.00 0.00 O ATOM 1471 CB PRO A 100 2.766 -14.497 7.958 1.00 0.00 C ATOM 1472 CG PRO A 100 2.058 -14.946 9.226 1.00 0.00 C ATOM 1473 CD PRO A 100 0.655 -14.362 9.207 1.00 0.00 C ATOM 0 HA PRO A 100 2.027 -13.065 6.517 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.292 -15.329 7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.510 -13.731 8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.018 -16.034 9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.601 -14.606 10.108 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.100 -15.142 9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.505 -13.666 10.033 1.00 0.00 H new ATOM 1481 N VAL A 101 2.230 -15.150 5.023 1.00 0.00 N ATOM 1482 CA VAL A 101 2.000 -16.056 3.911 1.00 0.00 C ATOM 1483 C VAL A 101 3.024 -17.192 3.963 1.00 0.00 C ATOM 1484 O VAL A 101 4.215 -16.949 4.148 1.00 0.00 O ATOM 1485 CB VAL A 101 2.030 -15.283 2.591 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.145 -16.236 1.400 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.802 -14.380 2.456 1.00 0.00 C ATOM 0 H VAL A 101 3.152 -14.714 5.034 1.00 0.00 H new ATOM 0 HA VAL A 101 1.011 -16.507 3.985 1.00 0.00 H new ATOM 0 HB VAL A 101 2.914 -14.646 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.164 -15.661 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.064 -16.816 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.289 -16.911 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.848 -13.842 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.102 -14.989 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.784 -13.665 3.279 1.00 0.00 H new ATOM 1497 N THR A 102 2.522 -18.406 3.795 1.00 0.00 N ATOM 1498 CA THR A 102 3.379 -19.580 3.820 1.00 0.00 C ATOM 1499 C THR A 102 4.099 -19.743 2.480 1.00 0.00 C ATOM 1500 O THR A 102 5.170 -20.345 2.416 1.00 0.00 O ATOM 1501 CB THR A 102 2.517 -20.786 4.198 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.783 -20.983 5.584 1.00 0.00 O ATOM 1503 CG2 THR A 102 2.999 -22.080 3.539 1.00 0.00 C ATOM 0 H THR A 102 1.533 -18.603 3.641 1.00 0.00 H new ATOM 0 HA THR A 102 4.167 -19.479 4.566 1.00 0.00 H new ATOM 0 HB THR A 102 1.483 -20.596 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.263 -21.746 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.353 -22.904 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.966 -21.971 2.455 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.022 -22.288 3.851 1.00 0.00 H new ATOM 1511 N ILE A 103 3.482 -19.197 1.443 1.00 0.00 N ATOM 1512 CA ILE A 103 4.050 -19.275 0.108 1.00 0.00 C ATOM 1513 C ILE A 103 4.002 -20.725 -0.379 1.00 0.00 C ATOM 1514 O ILE A 103 4.839 -21.540 0.004 1.00 0.00 O ATOM 1515 CB ILE A 103 5.454 -18.666 0.087 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.445 -17.248 0.662 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.049 -18.709 -1.321 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.645 -16.299 -0.232 1.00 0.00 C ATOM 0 H ILE A 103 2.594 -18.699 1.500 1.00 0.00 H new ATOM 0 HA ILE A 103 3.460 -18.684 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 103 6.098 -19.269 0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.014 -17.260 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.468 -16.885 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.047 -18.270 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.112 -19.744 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.413 -18.144 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.654 -15.298 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.093 -16.270 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.616 -16.651 -0.308 1.00 0.00 H new ATOM 1530 N ARG A 104 3.012 -21.001 -1.216 1.00 0.00 N ATOM 1531 CA ARG A 104 2.844 -22.338 -1.759 1.00 0.00 C ATOM 1532 C ARG A 104 1.692 -22.361 -2.766 1.00 0.00 C ATOM 1533 O ARG A 104 0.711 -21.635 -2.609 1.00 0.00 O ATOM 1534 CB ARG A 104 2.561 -23.352 -0.648 1.00 0.00 C ATOM 1535 CG ARG A 104 3.782 -24.238 -0.391 1.00 0.00 C ATOM 1536 CD ARG A 104 3.360 -25.627 0.093 1.00 0.00 C ATOM 1537 NE ARG A 104 4.449 -26.599 -0.148 1.00 0.00 N ATOM 1538 CZ ARG A 104 4.435 -27.866 0.290 1.00 0.00 C ATOM 1539 NH1 ARG A 104 3.389 -28.321 0.992 1.00 0.00 N ATOM 1540 NH2 ARG A 104 5.468 -28.678 0.025 1.00 0.00 N ATOM 0 H ARG A 104 2.319 -20.322 -1.531 1.00 0.00 H new ATOM 0 HA ARG A 104 3.773 -22.612 -2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.289 -22.827 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.709 -23.972 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.368 -24.330 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.425 -23.769 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.120 -25.593 1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.457 -25.944 -0.428 1.00 0.00 H new ATOM 0 HE ARG A 104 5.261 -26.286 -0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.603 -27.703 1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.379 -29.285 1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.265 -28.332 -0.510 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.457 -29.642 0.358 1.00 0.00 H new ATOM 1554 N GLU A 105 1.848 -23.202 -3.777 1.00 0.00 N ATOM 1555 CA GLU A 105 0.833 -23.329 -4.809 1.00 0.00 C ATOM 1556 C GLU A 105 -0.124 -24.475 -4.475 1.00 0.00 C ATOM 1557 O GLU A 105 0.243 -25.406 -3.759 1.00 0.00 O ATOM 1558 CB GLU A 105 1.472 -23.532 -6.184 1.00 0.00 C ATOM 1559 CG GLU A 105 0.543 -23.045 -7.298 1.00 0.00 C ATOM 1560 CD GLU A 105 1.099 -23.412 -8.675 1.00 0.00 C ATOM 1561 OE1 GLU A 105 2.222 -22.953 -8.975 1.00 0.00 O ATOM 1562 OE2 GLU A 105 0.388 -24.143 -9.398 1.00 0.00 O ATOM 0 H GLU A 105 2.662 -23.803 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 105 0.260 -22.402 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.418 -22.992 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.699 -24.588 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.445 -23.487 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.420 -21.964 -7.228 1.00 0.00 H new