USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 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 67 THR OG1 : rot -27:sc= 0.462 USER MOD Set 1.2: A 68 ASN : amide:sc= 1.23 K(o=1.7,f=-3.2!) USER MOD Set 2.1: A 37 CYS SG : rot 120:sc= 0.369 USER MOD Set 2.2: A 40 CYS SG : rot 88:sc= -0.0414 USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= 0.74 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 161:sc= 0.84 (180deg=0) USER MOD Set 4.1: A 26 LYS NZ :NH3+ -170:sc= 1.14 (180deg=0.613) USER MOD Set 4.2: A 59 THR OG1 : rot -81:sc= 0.364 USER MOD Single : A 9 THR OG1 : rot -31:sc= 0.161 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 69:sc= 1.1 USER MOD Single : A 24 SER OG : rot -98:sc= 1.23 USER MOD Single : A 25 ASN : amide:sc= 0.673 K(o=0.67,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.561 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 1.52 (180deg=1.31) USER MOD Single : A 71 THR OG1 : rot -39:sc= 0.476 USER MOD Single : A 74 ASN : amide:sc= 0.359 X(o=0.36,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 117:sc= 1.21 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= 2.03 (180deg=1.85) USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.05) USER MOD Single : A 101 LYS NZ :NH3+ 152:sc= 2.41 (180deg=1.98) USER MOD Single : A 109 SER OG : rot 86:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 3.633 -1.564 9.709 1.00 0.00 N ATOM 115 CA THR A 9 2.484 -1.507 8.784 1.00 0.00 C ATOM 116 C THR A 9 1.150 -1.508 9.538 1.00 0.00 C ATOM 117 O THR A 9 1.044 -2.091 10.621 1.00 0.00 O ATOM 118 CB THR A 9 2.488 -2.680 7.785 1.00 0.00 C ATOM 119 OG1 THR A 9 2.716 -3.916 8.434 1.00 0.00 O ATOM 120 CG2 THR A 9 3.581 -2.534 6.729 1.00 0.00 C ATOM 0 HA THR A 9 2.589 -0.572 8.234 1.00 0.00 H new ATOM 0 HB THR A 9 1.504 -2.661 7.317 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.283 -3.773 9.220 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.545 -3.384 6.048 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.424 -1.612 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.556 -2.501 7.216 1.00 0.00 H new ATOM 128 N ILE A 10 0.112 -0.906 8.947 1.00 0.00 N ATOM 129 CA ILE A 10 -1.275 -0.943 9.460 1.00 0.00 C ATOM 130 C ILE A 10 -2.220 -1.682 8.501 1.00 0.00 C ATOM 131 O ILE A 10 -2.004 -1.691 7.290 1.00 0.00 O ATOM 132 CB ILE A 10 -1.798 0.471 9.816 1.00 0.00 C ATOM 133 CG1 ILE A 10 -1.899 1.403 8.587 1.00 0.00 C ATOM 134 CG2 ILE A 10 -0.929 1.084 10.929 1.00 0.00 C ATOM 135 CD1 ILE A 10 -2.575 2.749 8.878 1.00 0.00 C ATOM 0 H ILE A 10 0.206 -0.369 8.085 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.256 -1.515 10.388 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.818 0.363 10.184 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.897 1.588 8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.454 0.892 7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.301 2.078 11.175 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.972 0.451 11.815 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.103 1.158 10.586 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.607 3.345 7.966 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.590 2.577 9.235 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.008 3.283 9.641 1.00 0.00 H new ATOM 147 N LYS A 11 -3.299 -2.272 9.025 1.00 0.00 N ATOM 148 CA LYS A 11 -4.402 -2.829 8.223 1.00 0.00 C ATOM 149 C LYS A 11 -5.499 -1.777 8.025 1.00 0.00 C ATOM 150 O LYS A 11 -5.860 -1.079 8.974 1.00 0.00 O ATOM 151 CB LYS A 11 -4.925 -4.112 8.894 1.00 0.00 C ATOM 152 CG LYS A 11 -6.005 -4.824 8.062 1.00 0.00 C ATOM 153 CD LYS A 11 -6.448 -6.125 8.747 1.00 0.00 C ATOM 154 CE LYS A 11 -7.551 -6.811 7.933 1.00 0.00 C ATOM 155 NZ LYS A 11 -8.010 -8.064 8.590 1.00 0.00 N ATOM 0 H LYS A 11 -3.436 -2.379 10.030 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.044 -3.099 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.092 -4.795 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.333 -3.863 9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.864 -4.165 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.618 -5.044 7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.595 -6.796 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.810 -5.909 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.394 -6.131 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.180 -7.037 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.756 -8.504 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.209 -8.722 8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.386 -7.843 9.534 1.00 0.00 H new ATOM 169 N VAL A 12 -6.049 -1.694 6.813 1.00 0.00 N ATOM 170 CA VAL A 12 -7.226 -0.868 6.475 1.00 0.00 C ATOM 171 C VAL A 12 -8.333 -1.728 5.856 1.00 0.00 C ATOM 172 O VAL A 12 -8.057 -2.764 5.248 1.00 0.00 O ATOM 173 CB VAL A 12 -6.860 0.340 5.587 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.004 1.346 6.365 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.118 -0.038 4.299 1.00 0.00 C ATOM 0 H VAL A 12 -5.684 -2.210 6.013 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.612 -0.450 7.405 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.814 0.782 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.757 2.189 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.560 1.703 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.085 0.862 6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.896 0.864 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.187 -0.547 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.743 -0.701 3.700 1.00 0.00 H new ATOM 185 N THR A 13 -9.592 -1.323 6.039 1.00 0.00 N ATOM 186 CA THR A 13 -10.794 -2.040 5.574 1.00 0.00 C ATOM 187 C THR A 13 -11.801 -1.077 4.944 1.00 0.00 C ATOM 188 O THR A 13 -11.790 0.122 5.230 1.00 0.00 O ATOM 189 CB THR A 13 -11.472 -2.820 6.717 1.00 0.00 C ATOM 190 OG1 THR A 13 -11.876 -1.940 7.746 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.553 -3.875 7.338 1.00 0.00 C ATOM 0 H THR A 13 -9.816 -0.458 6.531 1.00 0.00 H new ATOM 0 HA THR A 13 -10.462 -2.753 4.819 1.00 0.00 H new ATOM 0 HB THR A 13 -12.331 -3.321 6.270 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.306 -2.451 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.082 -4.393 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.256 -4.593 6.574 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.666 -3.390 7.745 1.00 0.00 H new ATOM 199 N ASP A 14 -12.705 -1.589 4.105 1.00 0.00 N ATOM 200 CA ASP A 14 -13.642 -0.785 3.305 1.00 0.00 C ATOM 201 C ASP A 14 -14.548 0.144 4.147 1.00 0.00 C ATOM 202 O ASP A 14 -14.959 1.209 3.683 1.00 0.00 O ATOM 203 CB ASP A 14 -14.499 -1.733 2.453 1.00 0.00 C ATOM 204 CG ASP A 14 -15.225 -0.967 1.336 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.538 -0.475 0.409 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.476 -0.869 1.381 1.00 0.00 O ATOM 0 H ASP A 14 -12.811 -2.593 3.958 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.046 -0.122 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.867 -2.507 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.229 -2.237 3.086 1.00 0.00 H new ATOM 211 N ALA A 15 -14.825 -0.233 5.402 1.00 0.00 N ATOM 212 CA ALA A 15 -15.662 0.522 6.337 1.00 0.00 C ATOM 213 C ALA A 15 -14.961 1.744 6.977 1.00 0.00 C ATOM 214 O ALA A 15 -15.643 2.625 7.511 1.00 0.00 O ATOM 215 CB ALA A 15 -16.164 -0.458 7.405 1.00 0.00 C ATOM 0 H ALA A 15 -14.461 -1.097 5.804 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.491 0.955 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.792 0.073 8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.744 -1.249 6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.313 -0.896 7.926 1.00 0.00 H new ATOM 221 N SER A 16 -13.624 1.816 6.918 1.00 0.00 N ATOM 222 CA SER A 16 -12.797 2.839 7.589 1.00 0.00 C ATOM 223 C SER A 16 -11.752 3.492 6.672 1.00 0.00 C ATOM 224 O SER A 16 -11.113 4.468 7.066 1.00 0.00 O ATOM 225 CB SER A 16 -12.096 2.226 8.811 1.00 0.00 C ATOM 226 OG SER A 16 -13.044 1.719 9.743 1.00 0.00 O ATOM 0 H SER A 16 -13.068 1.146 6.387 1.00 0.00 H new ATOM 0 HA SER A 16 -13.482 3.631 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.432 1.423 8.489 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.474 2.980 9.294 1.00 0.00 H new ATOM 0 HG SER A 16 -12.573 1.333 10.511 1.00 0.00 H new ATOM 232 N PHE A 17 -11.601 3.008 5.432 1.00 0.00 N ATOM 233 CA PHE A 17 -10.596 3.447 4.458 1.00 0.00 C ATOM 234 C PHE A 17 -10.600 4.964 4.235 1.00 0.00 C ATOM 235 O PHE A 17 -9.542 5.590 4.164 1.00 0.00 O ATOM 236 CB PHE A 17 -10.858 2.720 3.131 1.00 0.00 C ATOM 237 CG PHE A 17 -9.692 2.769 2.168 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.539 3.843 1.270 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.757 1.720 2.172 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.452 3.860 0.375 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.689 1.726 1.262 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.536 2.795 0.362 1.00 0.00 C ATOM 0 H PHE A 17 -12.201 2.269 5.066 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.611 3.199 4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.101 1.678 3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.732 3.161 2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.254 4.652 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.861 0.908 2.877 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.323 4.692 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.984 0.908 1.253 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.715 2.798 -0.339 1.00 0.00 H new ATOM 252 N ALA A 18 -11.784 5.576 4.168 1.00 0.00 N ATOM 253 CA ALA A 18 -11.906 7.015 3.976 1.00 0.00 C ATOM 254 C ALA A 18 -11.391 7.832 5.176 1.00 0.00 C ATOM 255 O ALA A 18 -10.824 8.907 4.983 1.00 0.00 O ATOM 256 CB ALA A 18 -13.357 7.347 3.619 1.00 0.00 C ATOM 0 H ALA A 18 -12.677 5.089 4.245 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.259 7.308 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.459 8.422 3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.634 6.829 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.013 7.027 4.428 1.00 0.00 H new ATOM 262 N THR A 19 -11.526 7.322 6.401 1.00 0.00 N ATOM 263 CA THR A 19 -10.968 7.946 7.617 1.00 0.00 C ATOM 264 C THR A 19 -9.470 7.660 7.782 1.00 0.00 C ATOM 265 O THR A 19 -8.730 8.506 8.286 1.00 0.00 O ATOM 266 CB THR A 19 -11.737 7.469 8.865 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.133 7.586 8.658 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.409 8.285 10.117 1.00 0.00 C ATOM 0 H THR A 19 -12.030 6.455 6.586 1.00 0.00 H new ATOM 0 HA THR A 19 -11.085 9.024 7.507 1.00 0.00 H new ATOM 0 HB THR A 19 -11.432 6.434 9.019 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.609 7.278 9.457 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.981 7.901 10.962 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.344 8.206 10.334 1.00 0.00 H new ATOM 0 HG23 THR A 19 -11.668 9.330 9.948 1.00 0.00 H new ATOM 276 N ASP A 20 -8.994 6.489 7.349 1.00 0.00 N ATOM 277 CA ASP A 20 -7.601 6.065 7.553 1.00 0.00 C ATOM 278 C ASP A 20 -6.642 6.576 6.466 1.00 0.00 C ATOM 279 O ASP A 20 -5.523 6.996 6.768 1.00 0.00 O ATOM 280 CB ASP A 20 -7.525 4.531 7.642 1.00 0.00 C ATOM 281 CG ASP A 20 -8.198 3.940 8.895 1.00 0.00 C ATOM 282 OD1 ASP A 20 -8.106 4.545 9.991 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.774 2.831 8.794 1.00 0.00 O ATOM 0 H ASP A 20 -9.562 5.806 6.847 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.275 6.513 8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.992 4.103 6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.478 4.228 7.628 1.00 0.00 H new ATOM 288 N VAL A 21 -7.078 6.541 5.204 1.00 0.00 N ATOM 289 CA VAL A 21 -6.273 6.881 4.020 1.00 0.00 C ATOM 290 C VAL A 21 -6.677 8.241 3.448 1.00 0.00 C ATOM 291 O VAL A 21 -5.823 9.102 3.238 1.00 0.00 O ATOM 292 CB VAL A 21 -6.383 5.771 2.952 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.442 6.032 1.772 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.048 4.387 3.526 1.00 0.00 C ATOM 0 H VAL A 21 -8.031 6.267 4.967 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.230 6.953 4.328 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.419 5.785 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.546 5.231 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.697 6.984 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.412 6.067 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.138 3.636 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.028 4.390 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.740 4.151 4.335 1.00 0.00 H new ATOM 304 N LEU A 22 -7.976 8.456 3.207 1.00 0.00 N ATOM 305 CA LEU A 22 -8.470 9.634 2.475 1.00 0.00 C ATOM 306 C LEU A 22 -8.627 10.901 3.343 1.00 0.00 C ATOM 307 O LEU A 22 -8.753 11.999 2.797 1.00 0.00 O ATOM 308 CB LEU A 22 -9.749 9.298 1.683 1.00 0.00 C ATOM 309 CG LEU A 22 -9.687 8.005 0.845 1.00 0.00 C ATOM 310 CD1 LEU A 22 -11.019 7.786 0.125 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.580 8.006 -0.209 1.00 0.00 C ATOM 0 H LEU A 22 -8.714 7.822 3.512 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.689 9.893 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.580 9.217 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.974 10.132 1.018 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.473 7.205 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.968 6.871 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.820 7.700 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.220 8.631 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.599 7.064 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.738 8.833 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.613 8.121 0.280 1.00 0.00 H new ATOM 323 N SER A 23 -8.576 10.775 4.676 1.00 0.00 N ATOM 324 CA SER A 23 -8.640 11.903 5.628 1.00 0.00 C ATOM 325 C SER A 23 -7.254 12.396 6.093 1.00 0.00 C ATOM 326 O SER A 23 -7.155 13.229 6.997 1.00 0.00 O ATOM 327 CB SER A 23 -9.550 11.576 6.816 1.00 0.00 C ATOM 328 OG SER A 23 -10.875 11.333 6.372 1.00 0.00 O ATOM 0 H SER A 23 -8.487 9.869 5.137 1.00 0.00 H new ATOM 0 HA SER A 23 -9.080 12.736 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.170 10.701 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.543 12.403 7.526 1.00 0.00 H new ATOM 0 HG SER A 23 -10.901 10.497 5.862 1.00 0.00 H new ATOM 334 N SER A 24 -6.173 11.859 5.517 1.00 0.00 N ATOM 335 CA SER A 24 -4.785 12.075 5.924 1.00 0.00 C ATOM 336 C SER A 24 -4.236 13.488 5.639 1.00 0.00 C ATOM 337 O SER A 24 -4.625 14.154 4.676 1.00 0.00 O ATOM 338 CB SER A 24 -3.916 11.009 5.247 1.00 0.00 C ATOM 339 OG SER A 24 -4.000 11.081 3.833 1.00 0.00 O ATOM 0 H SER A 24 -6.249 11.232 4.716 1.00 0.00 H new ATOM 0 HA SER A 24 -4.753 11.987 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.879 11.136 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.229 10.019 5.580 1.00 0.00 H new ATOM 0 HG SER A 24 -4.644 10.417 3.509 1.00 0.00 H new ATOM 345 N ASN A 25 -3.284 13.925 6.477 1.00 0.00 N ATOM 346 CA ASN A 25 -2.494 15.165 6.324 1.00 0.00 C ATOM 347 C ASN A 25 -0.972 14.869 6.185 1.00 0.00 C ATOM 348 O ASN A 25 -0.116 15.718 6.451 1.00 0.00 O ATOM 349 CB ASN A 25 -2.859 16.123 7.478 1.00 0.00 C ATOM 350 CG ASN A 25 -2.730 17.597 7.112 1.00 0.00 C ATOM 351 OD1 ASN A 25 -3.710 18.326 7.017 1.00 0.00 O ATOM 352 ND2 ASN A 25 -1.535 18.095 6.900 1.00 0.00 N ATOM 0 H ASN A 25 -3.030 13.405 7.317 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.748 15.666 5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.883 15.924 7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.215 15.912 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.429 19.080 6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.712 17.497 6.976 1.00 0.00 H new ATOM 359 N LYS A 26 -0.647 13.622 5.823 1.00 0.00 N ATOM 360 CA LYS A 26 0.677 13.072 5.483 1.00 0.00 C ATOM 361 C LYS A 26 0.465 12.043 4.355 1.00 0.00 C ATOM 362 O LYS A 26 -0.579 11.387 4.375 1.00 0.00 O ATOM 363 CB LYS A 26 1.282 12.421 6.744 1.00 0.00 C ATOM 364 CG LYS A 26 2.711 11.878 6.544 1.00 0.00 C ATOM 365 CD LYS A 26 3.255 11.129 7.773 1.00 0.00 C ATOM 366 CE LYS A 26 2.458 9.838 7.994 1.00 0.00 C ATOM 367 NZ LYS A 26 3.013 8.986 9.077 1.00 0.00 N ATOM 0 H LYS A 26 -1.368 12.904 5.753 1.00 0.00 H new ATOM 0 HA LYS A 26 1.369 13.842 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.292 13.155 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.635 11.604 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.720 11.207 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.378 12.707 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.310 10.895 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.187 11.764 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.426 10.093 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.438 9.267 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.541 8.060 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.034 8.856 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.854 9.445 9.996 1.00 0.00 H new ATOM 381 N PRO A 27 1.383 11.856 3.389 1.00 0.00 N ATOM 382 CA PRO A 27 1.211 10.847 2.342 1.00 0.00 C ATOM 383 C PRO A 27 1.072 9.415 2.894 1.00 0.00 C ATOM 384 O PRO A 27 1.713 9.044 3.882 1.00 0.00 O ATOM 385 CB PRO A 27 2.416 11.000 1.409 1.00 0.00 C ATOM 386 CG PRO A 27 2.872 12.440 1.644 1.00 0.00 C ATOM 387 CD PRO A 27 2.562 12.665 3.121 1.00 0.00 C ATOM 0 HA PRO A 27 0.275 11.008 1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.203 10.286 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.141 10.831 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.934 12.566 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.333 13.142 1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.399 12.362 3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.373 13.718 3.328 1.00 0.00 H new ATOM 395 N VAL A 28 0.237 8.606 2.241 1.00 0.00 N ATOM 396 CA VAL A 28 -0.102 7.232 2.640 1.00 0.00 C ATOM 397 C VAL A 28 0.101 6.279 1.463 1.00 0.00 C ATOM 398 O VAL A 28 -0.497 6.459 0.403 1.00 0.00 O ATOM 399 CB VAL A 28 -1.554 7.126 3.162 1.00 0.00 C ATOM 400 CG1 VAL A 28 -1.835 5.728 3.736 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.864 8.150 4.260 1.00 0.00 C ATOM 0 H VAL A 28 -0.241 8.896 1.388 1.00 0.00 H new ATOM 0 HA VAL A 28 0.564 6.951 3.456 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.189 7.325 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.863 5.682 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.689 4.979 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.152 5.530 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.896 8.030 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.193 7.992 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.723 9.157 3.868 1.00 0.00 H new ATOM 411 N LEU A 29 0.899 5.230 1.657 1.00 0.00 N ATOM 412 CA LEU A 29 0.947 4.079 0.758 1.00 0.00 C ATOM 413 C LEU A 29 -0.103 3.052 1.177 1.00 0.00 C ATOM 414 O LEU A 29 -0.200 2.721 2.358 1.00 0.00 O ATOM 415 CB LEU A 29 2.341 3.428 0.766 1.00 0.00 C ATOM 416 CG LEU A 29 3.411 4.188 -0.027 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.759 3.511 0.206 1.00 0.00 C ATOM 418 CD2 LEU A 29 3.147 4.166 -1.535 1.00 0.00 C ATOM 0 H LEU A 29 1.536 5.155 2.450 1.00 0.00 H new ATOM 0 HA LEU A 29 0.737 4.427 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.675 3.331 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.258 2.419 0.362 1.00 0.00 H new ATOM 0 HG LEU A 29 3.397 5.223 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.533 4.039 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.998 3.533 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.710 2.476 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.933 4.718 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.137 3.135 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.183 4.630 -1.742 1.00 0.00 H new ATOM 430 N VAL A 30 -0.846 2.512 0.215 1.00 0.00 N ATOM 431 CA VAL A 30 -1.726 1.353 0.411 1.00 0.00 C ATOM 432 C VAL A 30 -1.282 0.221 -0.506 1.00 0.00 C ATOM 433 O VAL A 30 -1.312 0.352 -1.729 1.00 0.00 O ATOM 434 CB VAL A 30 -3.204 1.695 0.176 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.090 0.480 0.480 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.670 2.850 1.072 1.00 0.00 C ATOM 0 H VAL A 30 -0.857 2.870 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.642 1.038 1.451 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.295 1.988 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.135 0.739 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.810 -0.347 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.956 0.183 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.721 3.062 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.545 2.572 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.075 3.738 0.859 1.00 0.00 H new ATOM 446 N ASP A 31 -0.886 -0.897 0.092 1.00 0.00 N ATOM 447 CA ASP A 31 -0.564 -2.151 -0.579 1.00 0.00 C ATOM 448 C ASP A 31 -1.821 -3.033 -0.704 1.00 0.00 C ATOM 449 O ASP A 31 -2.322 -3.574 0.284 1.00 0.00 O ATOM 450 CB ASP A 31 0.564 -2.828 0.211 1.00 0.00 C ATOM 451 CG ASP A 31 0.818 -4.274 -0.228 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.923 -4.519 -1.451 1.00 0.00 O ATOM 453 OD2 ASP A 31 0.924 -5.146 0.669 1.00 0.00 O ATOM 0 H ASP A 31 -0.776 -0.956 1.104 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.220 -1.976 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.481 -2.251 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.316 -2.815 1.272 1.00 0.00 H new ATOM 458 N PHE A 32 -2.320 -3.173 -1.931 1.00 0.00 N ATOM 459 CA PHE A 32 -3.395 -4.082 -2.320 1.00 0.00 C ATOM 460 C PHE A 32 -2.779 -5.429 -2.714 1.00 0.00 C ATOM 461 O PHE A 32 -2.075 -5.543 -3.723 1.00 0.00 O ATOM 462 CB PHE A 32 -4.227 -3.453 -3.445 1.00 0.00 C ATOM 463 CG PHE A 32 -4.914 -2.160 -3.046 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.262 -0.919 -3.201 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.224 -2.195 -2.532 1.00 0.00 C ATOM 466 CE1 PHE A 32 -4.919 0.274 -2.853 1.00 0.00 C ATOM 467 CE2 PHE A 32 -6.880 -1.000 -2.188 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.231 0.236 -2.348 1.00 0.00 C ATOM 0 H PHE A 32 -1.968 -2.629 -2.719 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.078 -4.258 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.579 -3.261 -4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.981 -4.169 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.254 -0.885 -3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.726 -3.142 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.415 1.222 -2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.887 -1.032 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.737 1.153 -2.084 1.00 0.00 H new ATOM 478 N TRP A 33 -3.000 -6.435 -1.870 1.00 0.00 N ATOM 479 CA TRP A 33 -2.262 -7.704 -1.860 1.00 0.00 C ATOM 480 C TRP A 33 -3.178 -8.892 -1.539 1.00 0.00 C ATOM 481 O TRP A 33 -4.336 -8.699 -1.171 1.00 0.00 O ATOM 482 CB TRP A 33 -1.132 -7.603 -0.820 1.00 0.00 C ATOM 483 CG TRP A 33 -1.555 -7.773 0.612 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.366 -6.936 1.295 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.231 -8.852 1.544 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.645 -7.462 2.540 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.962 -8.639 2.752 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.372 -9.973 1.507 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.879 -9.509 3.847 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.264 -10.842 2.609 1.00 0.00 C ATOM 491 CH2 TRP A 33 -1.029 -10.625 3.768 1.00 0.00 C ATOM 0 H TRP A 33 -3.721 -6.391 -1.149 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.849 -7.880 -2.853 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.381 -8.358 -1.051 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.650 -6.631 -0.926 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.741 -5.994 0.922 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.277 -7.034 3.217 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.211 -10.166 0.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.460 -9.325 4.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.412 -11.683 2.564 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.964 -11.315 4.596 1.00 0.00 H new ATOM 502 N ALA A 34 -2.658 -10.117 -1.612 1.00 0.00 N ATOM 503 CA ALA A 34 -3.263 -11.265 -0.936 1.00 0.00 C ATOM 504 C ALA A 34 -2.216 -12.213 -0.346 1.00 0.00 C ATOM 505 O ALA A 34 -1.172 -12.461 -0.953 1.00 0.00 O ATOM 506 CB ALA A 34 -4.171 -12.019 -1.910 1.00 0.00 C ATOM 0 H ALA A 34 -1.813 -10.341 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.852 -10.882 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.619 -12.873 -1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.958 -11.353 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.583 -12.369 -2.759 1.00 0.00 H new ATOM 512 N THR A 35 -2.535 -12.820 0.799 1.00 0.00 N ATOM 513 CA THR A 35 -1.688 -13.849 1.429 1.00 0.00 C ATOM 514 C THR A 35 -1.553 -15.123 0.577 1.00 0.00 C ATOM 515 O THR A 35 -0.552 -15.835 0.680 1.00 0.00 O ATOM 516 CB THR A 35 -2.187 -14.149 2.852 1.00 0.00 C ATOM 517 OG1 THR A 35 -1.195 -14.859 3.564 1.00 0.00 O ATOM 518 CG2 THR A 35 -3.484 -14.958 2.902 1.00 0.00 C ATOM 0 H THR A 35 -3.388 -12.616 1.320 1.00 0.00 H new ATOM 0 HA THR A 35 -0.678 -13.444 1.498 1.00 0.00 H new ATOM 0 HB THR A 35 -2.394 -13.179 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.515 -15.047 4.471 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.768 -15.127 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.276 -14.407 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.334 -15.917 2.406 1.00 0.00 H new ATOM 526 N TRP A 36 -2.508 -15.374 -0.332 1.00 0.00 N ATOM 527 CA TRP A 36 -2.471 -16.476 -1.302 1.00 0.00 C ATOM 528 C TRP A 36 -1.559 -16.232 -2.523 1.00 0.00 C ATOM 529 O TRP A 36 -1.396 -17.136 -3.346 1.00 0.00 O ATOM 530 CB TRP A 36 -3.908 -16.873 -1.700 1.00 0.00 C ATOM 531 CG TRP A 36 -4.880 -15.825 -2.189 1.00 0.00 C ATOM 532 CD1 TRP A 36 -6.019 -15.480 -1.540 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.896 -15.031 -3.428 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.764 -14.614 -2.307 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.102 -14.258 -3.454 1.00 0.00 C ATOM 536 CE3 TRP A 36 -4.027 -14.863 -4.532 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.417 -13.366 -4.487 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.310 -13.932 -5.552 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.505 -13.191 -5.538 1.00 0.00 C ATOM 0 H TRP A 36 -3.348 -14.801 -0.414 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.998 -17.319 -0.799 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.829 -17.630 -2.481 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.361 -17.355 -0.834 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.302 -15.835 -0.560 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.693 -14.278 -2.054 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.129 -15.460 -4.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.349 -12.821 -4.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.601 -13.786 -6.353 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.719 -12.491 -6.332 1.00 0.00 H new ATOM 550 N CYS A 37 -0.961 -15.042 -2.663 1.00 0.00 N ATOM 551 CA CYS A 37 -0.191 -14.639 -3.845 1.00 0.00 C ATOM 552 C CYS A 37 1.332 -14.602 -3.588 1.00 0.00 C ATOM 553 O CYS A 37 1.808 -13.956 -2.650 1.00 0.00 O ATOM 554 CB CYS A 37 -0.753 -13.296 -4.321 1.00 0.00 C ATOM 555 SG CYS A 37 0.042 -12.781 -5.866 1.00 0.00 S ATOM 0 H CYS A 37 -1.000 -14.319 -1.944 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.303 -15.384 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.830 -13.379 -4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.595 -12.538 -3.554 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.857 -12.661 -6.797 1.00 0.00 H new ATOM 561 N GLY A 38 2.106 -15.254 -4.464 1.00 0.00 N ATOM 562 CA GLY A 38 3.574 -15.337 -4.400 1.00 0.00 C ATOM 563 C GLY A 38 4.291 -13.978 -4.429 1.00 0.00 C ATOM 564 O GLY A 38 4.965 -13.640 -3.453 1.00 0.00 O ATOM 0 H GLY A 38 1.718 -15.755 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.856 -15.863 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.928 -15.938 -5.237 1.00 0.00 H new ATOM 568 N PRO A 39 4.139 -13.148 -5.483 1.00 0.00 N ATOM 569 CA PRO A 39 4.761 -11.823 -5.527 1.00 0.00 C ATOM 570 C PRO A 39 4.275 -10.884 -4.410 1.00 0.00 C ATOM 571 O PRO A 39 5.062 -10.068 -3.931 1.00 0.00 O ATOM 572 CB PRO A 39 4.496 -11.282 -6.939 1.00 0.00 C ATOM 573 CG PRO A 39 3.299 -12.089 -7.435 1.00 0.00 C ATOM 574 CD PRO A 39 3.488 -13.442 -6.753 1.00 0.00 C ATOM 0 HA PRO A 39 5.832 -11.891 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.276 -10.215 -6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.363 -11.418 -7.586 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.354 -11.624 -7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.297 -12.182 -8.521 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.531 -13.941 -6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.099 -14.107 -7.363 1.00 0.00 H new ATOM 582 N CYS A 40 3.041 -11.037 -3.909 1.00 0.00 N ATOM 583 CA CYS A 40 2.593 -10.324 -2.703 1.00 0.00 C ATOM 584 C CYS A 40 3.430 -10.712 -1.474 1.00 0.00 C ATOM 585 O CYS A 40 3.944 -9.837 -0.775 1.00 0.00 O ATOM 586 CB CYS A 40 1.112 -10.603 -2.427 1.00 0.00 C ATOM 587 SG CYS A 40 0.051 -9.892 -3.712 1.00 0.00 S ATOM 0 H CYS A 40 2.335 -11.648 -4.320 1.00 0.00 H new ATOM 0 HA CYS A 40 2.729 -9.259 -2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.948 -11.679 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.837 -10.189 -1.457 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.090 -10.747 -4.681 1.00 0.00 H new ATOM 593 N LYS A 41 3.625 -12.018 -1.244 1.00 0.00 N ATOM 594 CA LYS A 41 4.464 -12.549 -0.156 1.00 0.00 C ATOM 595 C LYS A 41 5.929 -12.091 -0.275 1.00 0.00 C ATOM 596 O LYS A 41 6.568 -11.823 0.742 1.00 0.00 O ATOM 597 CB LYS A 41 4.339 -14.086 -0.159 1.00 0.00 C ATOM 598 CG LYS A 41 4.799 -14.779 1.137 1.00 0.00 C ATOM 599 CD LYS A 41 3.918 -14.519 2.372 1.00 0.00 C ATOM 600 CE LYS A 41 2.462 -14.967 2.164 1.00 0.00 C ATOM 601 NZ LYS A 41 1.685 -14.910 3.430 1.00 0.00 N ATOM 0 H LYS A 41 3.199 -12.747 -1.816 1.00 0.00 H new ATOM 0 HA LYS A 41 4.113 -12.154 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.298 -14.350 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.922 -14.481 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.839 -15.854 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.815 -14.455 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.337 -15.045 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.937 -13.455 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.988 -14.330 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.446 -15.984 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.668 -14.900 3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.907 -15.743 4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.936 -14.047 3.953 1.00 0.00 H new ATOM 615 N MET A 42 6.441 -11.945 -1.502 1.00 0.00 N ATOM 616 CA MET A 42 7.809 -11.475 -1.780 1.00 0.00 C ATOM 617 C MET A 42 8.014 -9.959 -1.589 1.00 0.00 C ATOM 618 O MET A 42 9.080 -9.556 -1.123 1.00 0.00 O ATOM 619 CB MET A 42 8.234 -11.890 -3.197 1.00 0.00 C ATOM 620 CG MET A 42 8.371 -13.409 -3.364 1.00 0.00 C ATOM 621 SD MET A 42 9.683 -14.173 -2.368 1.00 0.00 S ATOM 622 CE MET A 42 9.429 -15.909 -2.825 1.00 0.00 C ATOM 0 H MET A 42 5.909 -12.153 -2.347 1.00 0.00 H new ATOM 0 HA MET A 42 8.443 -11.956 -1.035 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.502 -11.516 -3.913 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.186 -11.417 -3.438 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.420 -13.875 -3.105 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.558 -13.629 -4.415 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.154 -16.533 -2.303 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.420 -16.215 -2.547 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.559 -16.025 -3.901 1.00 0.00 H new ATOM 632 N VAL A 43 7.027 -9.110 -1.914 1.00 0.00 N ATOM 633 CA VAL A 43 7.140 -7.637 -1.759 1.00 0.00 C ATOM 634 C VAL A 43 6.735 -7.135 -0.367 1.00 0.00 C ATOM 635 O VAL A 43 7.198 -6.075 0.058 1.00 0.00 O ATOM 636 CB VAL A 43 6.399 -6.902 -2.894 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.881 -6.849 -2.708 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.922 -5.474 -3.092 1.00 0.00 C ATOM 0 H VAL A 43 6.129 -9.415 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 43 8.199 -7.395 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 43 6.607 -7.498 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.430 -6.317 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.484 -7.863 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.646 -6.329 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.372 -4.994 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.784 -4.905 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.982 -5.506 -3.343 1.00 0.00 H new ATOM 648 N ALA A 44 5.938 -7.907 0.381 1.00 0.00 N ATOM 649 CA ALA A 44 5.547 -7.602 1.758 1.00 0.00 C ATOM 650 C ALA A 44 6.727 -7.209 2.685 1.00 0.00 C ATOM 651 O ALA A 44 6.633 -6.144 3.299 1.00 0.00 O ATOM 652 CB ALA A 44 4.731 -8.775 2.319 1.00 0.00 C ATOM 0 H ALA A 44 5.539 -8.780 0.036 1.00 0.00 H new ATOM 0 HA ALA A 44 4.928 -6.705 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.436 -8.555 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.840 -8.923 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.337 -9.681 2.302 1.00 0.00 H new ATOM 658 N PRO A 45 7.853 -7.952 2.777 1.00 0.00 N ATOM 659 CA PRO A 45 8.989 -7.547 3.615 1.00 0.00 C ATOM 660 C PRO A 45 9.683 -6.258 3.135 1.00 0.00 C ATOM 661 O PRO A 45 10.181 -5.495 3.961 1.00 0.00 O ATOM 662 CB PRO A 45 9.949 -8.743 3.619 1.00 0.00 C ATOM 663 CG PRO A 45 9.622 -9.474 2.320 1.00 0.00 C ATOM 664 CD PRO A 45 8.115 -9.265 2.198 1.00 0.00 C ATOM 0 HA PRO A 45 8.644 -7.297 4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.990 -8.421 3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.790 -9.381 4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.161 -9.054 1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.883 -10.531 2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.797 -9.305 1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.567 -10.044 2.728 1.00 0.00 H new ATOM 672 N VAL A 46 9.683 -5.968 1.827 1.00 0.00 N ATOM 673 CA VAL A 46 10.270 -4.734 1.267 1.00 0.00 C ATOM 674 C VAL A 46 9.454 -3.503 1.688 1.00 0.00 C ATOM 675 O VAL A 46 10.005 -2.562 2.267 1.00 0.00 O ATOM 676 CB VAL A 46 10.447 -4.864 -0.266 1.00 0.00 C ATOM 677 CG1 VAL A 46 10.607 -3.521 -0.973 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.661 -5.748 -0.572 1.00 0.00 C ATOM 0 H VAL A 46 9.276 -6.582 1.122 1.00 0.00 H new ATOM 0 HA VAL A 46 11.268 -4.589 1.680 1.00 0.00 H new ATOM 0 HB VAL A 46 9.532 -5.317 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.727 -3.686 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.722 -2.909 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.487 -3.008 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.783 -5.838 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.556 -5.299 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.509 -6.737 -0.141 1.00 0.00 H new ATOM 688 N LEU A 47 8.134 -3.523 1.486 1.00 0.00 N ATOM 689 CA LEU A 47 7.260 -2.419 1.910 1.00 0.00 C ATOM 690 C LEU A 47 7.075 -2.349 3.439 1.00 0.00 C ATOM 691 O LEU A 47 6.818 -1.272 3.969 1.00 0.00 O ATOM 692 CB LEU A 47 5.965 -2.414 1.080 1.00 0.00 C ATOM 693 CG LEU A 47 5.011 -3.601 1.306 1.00 0.00 C ATOM 694 CD1 LEU A 47 3.996 -3.332 2.419 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.238 -3.892 0.024 1.00 0.00 C ATOM 0 H LEU A 47 7.643 -4.292 1.030 1.00 0.00 H new ATOM 0 HA LEU A 47 7.755 -1.473 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.423 -1.493 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.234 -2.387 0.024 1.00 0.00 H new ATOM 0 HG LEU A 47 5.629 -4.450 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.348 -4.200 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.523 -3.142 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.393 -2.462 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.564 -4.733 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.659 -3.013 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.938 -4.139 -0.775 1.00 0.00 H new ATOM 707 N GLU A 48 7.278 -3.447 4.171 1.00 0.00 N ATOM 708 CA GLU A 48 7.369 -3.447 5.639 1.00 0.00 C ATOM 709 C GLU A 48 8.660 -2.774 6.151 1.00 0.00 C ATOM 710 O GLU A 48 8.624 -2.055 7.153 1.00 0.00 O ATOM 711 CB GLU A 48 7.227 -4.888 6.148 1.00 0.00 C ATOM 712 CG GLU A 48 7.139 -4.987 7.671 1.00 0.00 C ATOM 713 CD GLU A 48 7.010 -6.453 8.128 1.00 0.00 C ATOM 714 OE1 GLU A 48 5.984 -7.110 7.829 1.00 0.00 O ATOM 715 OE2 GLU A 48 7.932 -6.948 8.823 1.00 0.00 O ATOM 0 H GLU A 48 7.386 -4.374 3.759 1.00 0.00 H new ATOM 0 HA GLU A 48 6.553 -2.845 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.334 -5.334 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.079 -5.474 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.027 -4.541 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.281 -4.416 8.026 1.00 0.00 H new ATOM 722 N GLU A 49 9.790 -2.914 5.446 1.00 0.00 N ATOM 723 CA GLU A 49 10.974 -2.087 5.702 1.00 0.00 C ATOM 724 C GLU A 49 10.706 -0.607 5.388 1.00 0.00 C ATOM 725 O GLU A 49 11.043 0.235 6.218 1.00 0.00 O ATOM 726 CB GLU A 49 12.204 -2.584 4.927 1.00 0.00 C ATOM 727 CG GLU A 49 12.832 -3.833 5.558 1.00 0.00 C ATOM 728 CD GLU A 49 14.099 -4.285 4.804 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.905 -3.418 4.383 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.311 -5.512 4.645 1.00 0.00 O ATOM 0 H GLU A 49 9.908 -3.593 4.694 1.00 0.00 H new ATOM 0 HA GLU A 49 11.192 -2.178 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.916 -2.806 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.948 -1.789 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.083 -3.626 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.103 -4.643 5.561 1.00 0.00 H new ATOM 737 N ILE A 50 10.031 -0.268 4.276 1.00 0.00 N ATOM 738 CA ILE A 50 9.586 1.129 4.047 1.00 0.00 C ATOM 739 C ILE A 50 8.730 1.631 5.225 1.00 0.00 C ATOM 740 O ILE A 50 8.970 2.723 5.742 1.00 0.00 O ATOM 741 CB ILE A 50 8.806 1.295 2.719 1.00 0.00 C ATOM 742 CG1 ILE A 50 9.571 0.829 1.461 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.340 2.749 2.520 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.912 1.515 1.181 1.00 0.00 C ATOM 0 H ILE A 50 9.783 -0.922 3.533 1.00 0.00 H new ATOM 0 HA ILE A 50 10.490 1.734 3.973 1.00 0.00 H new ATOM 0 HB ILE A 50 7.946 0.634 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 50 9.748 -0.243 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.925 0.977 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.796 2.831 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.687 3.038 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.207 3.409 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.350 1.101 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.753 2.586 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.589 1.347 2.019 1.00 0.00 H new ATOM 756 N ALA A 51 7.771 0.825 5.694 1.00 0.00 N ATOM 757 CA ALA A 51 6.887 1.166 6.808 1.00 0.00 C ATOM 758 C ALA A 51 7.651 1.445 8.111 1.00 0.00 C ATOM 759 O ALA A 51 7.351 2.410 8.814 1.00 0.00 O ATOM 760 CB ALA A 51 5.898 0.015 7.011 1.00 0.00 C ATOM 0 H ALA A 51 7.586 -0.098 5.301 1.00 0.00 H new ATOM 0 HA ALA A 51 6.364 2.088 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.230 0.251 7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.314 -0.127 6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.446 -0.900 7.237 1.00 0.00 H new ATOM 766 N THR A 52 8.656 0.620 8.417 1.00 0.00 N ATOM 767 CA THR A 52 9.456 0.731 9.645 1.00 0.00 C ATOM 768 C THR A 52 10.436 1.904 9.575 1.00 0.00 C ATOM 769 O THR A 52 10.603 2.633 10.553 1.00 0.00 O ATOM 770 CB THR A 52 10.195 -0.589 9.914 1.00 0.00 C ATOM 771 OG1 THR A 52 9.258 -1.645 10.006 1.00 0.00 O ATOM 772 CG2 THR A 52 10.968 -0.565 11.231 1.00 0.00 C ATOM 0 H THR A 52 8.942 -0.152 7.815 1.00 0.00 H new ATOM 0 HA THR A 52 8.778 0.928 10.475 1.00 0.00 H new ATOM 0 HB THR A 52 10.894 -0.730 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.952 -1.890 9.108 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.472 -1.521 11.374 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.708 0.235 11.204 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.276 -0.392 12.056 1.00 0.00 H new ATOM 780 N GLU A 53 11.072 2.117 8.421 1.00 0.00 N ATOM 781 CA GLU A 53 12.136 3.112 8.252 1.00 0.00 C ATOM 782 C GLU A 53 11.648 4.531 7.905 1.00 0.00 C ATOM 783 O GLU A 53 12.382 5.492 8.154 1.00 0.00 O ATOM 784 CB GLU A 53 13.144 2.604 7.211 1.00 0.00 C ATOM 785 CG GLU A 53 13.867 1.324 7.651 1.00 0.00 C ATOM 786 CD GLU A 53 15.142 1.124 6.822 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.054 0.622 5.681 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.247 1.466 7.310 1.00 0.00 O ATOM 0 H GLU A 53 10.861 1.599 7.568 1.00 0.00 H new ATOM 0 HA GLU A 53 12.613 3.221 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.624 2.416 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.881 3.383 7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.119 1.386 8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.207 0.465 7.530 1.00 0.00 H new ATOM 795 N ARG A 54 10.448 4.695 7.325 1.00 0.00 N ATOM 796 CA ARG A 54 9.925 5.987 6.817 1.00 0.00 C ATOM 797 C ARG A 54 8.583 6.416 7.425 1.00 0.00 C ATOM 798 O ARG A 54 7.913 7.284 6.869 1.00 0.00 O ATOM 799 CB ARG A 54 9.915 5.999 5.271 1.00 0.00 C ATOM 800 CG ARG A 54 11.279 5.697 4.623 1.00 0.00 C ATOM 801 CD ARG A 54 12.361 6.727 4.987 1.00 0.00 C ATOM 802 NE ARG A 54 13.681 6.297 4.496 1.00 0.00 N ATOM 803 CZ ARG A 54 14.672 5.801 5.211 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.658 5.698 6.504 1.00 0.00 N ATOM 805 NH2 ARG A 54 15.753 5.397 4.630 1.00 0.00 N ATOM 0 H ARG A 54 9.796 3.922 7.190 1.00 0.00 H new ATOM 0 HA ARG A 54 10.619 6.754 7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.189 5.266 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.573 6.976 4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.610 4.706 4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.162 5.670 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.106 7.696 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.396 6.858 6.069 1.00 0.00 H new ATOM 0 HE ARG A 54 13.847 6.393 3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.843 6.012 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.462 5.303 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.842 5.461 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.518 5.014 5.185 1.00 0.00 H new ATOM 819 N ALA A 55 8.224 5.878 8.593 1.00 0.00 N ATOM 820 CA ALA A 55 7.003 6.213 9.345 1.00 0.00 C ATOM 821 C ALA A 55 6.799 7.728 9.597 1.00 0.00 C ATOM 822 O ALA A 55 5.666 8.198 9.729 1.00 0.00 O ATOM 823 CB ALA A 55 7.055 5.460 10.681 1.00 0.00 C ATOM 0 H ALA A 55 8.792 5.172 9.061 1.00 0.00 H new ATOM 0 HA ALA A 55 6.151 5.911 8.736 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.162 5.688 11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.101 4.387 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.939 5.769 11.238 1.00 0.00 H new ATOM 829 N THR A 56 7.886 8.501 9.661 1.00 0.00 N ATOM 830 CA THR A 56 7.876 9.963 9.855 1.00 0.00 C ATOM 831 C THR A 56 7.452 10.758 8.613 1.00 0.00 C ATOM 832 O THR A 56 6.979 11.887 8.757 1.00 0.00 O ATOM 833 CB THR A 56 9.268 10.445 10.297 1.00 0.00 C ATOM 834 OG1 THR A 56 10.259 9.931 9.427 1.00 0.00 O ATOM 835 CG2 THR A 56 9.610 9.973 11.711 1.00 0.00 C ATOM 0 H THR A 56 8.829 8.120 9.577 1.00 0.00 H new ATOM 0 HA THR A 56 7.128 10.151 10.625 1.00 0.00 H new ATOM 0 HB THR A 56 9.247 11.535 10.272 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.142 10.244 9.715 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.601 10.334 11.985 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.874 10.364 12.413 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.599 8.884 11.743 1.00 0.00 H new ATOM 843 N ASP A 57 7.585 10.195 7.405 1.00 0.00 N ATOM 844 CA ASP A 57 7.279 10.869 6.127 1.00 0.00 C ATOM 845 C ASP A 57 6.148 10.200 5.322 1.00 0.00 C ATOM 846 O ASP A 57 5.434 10.879 4.585 1.00 0.00 O ATOM 847 CB ASP A 57 8.568 10.981 5.302 1.00 0.00 C ATOM 848 CG ASP A 57 8.433 12.040 4.196 1.00 0.00 C ATOM 849 OD1 ASP A 57 8.401 13.251 4.524 1.00 0.00 O ATOM 850 OD2 ASP A 57 8.395 11.670 3.001 1.00 0.00 O ATOM 0 H ASP A 57 7.915 9.238 7.281 1.00 0.00 H new ATOM 0 HA ASP A 57 6.898 11.863 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.400 11.240 5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.802 10.014 4.856 1.00 0.00 H new ATOM 855 N LEU A 58 5.931 8.893 5.518 1.00 0.00 N ATOM 856 CA LEU A 58 4.825 8.100 4.970 1.00 0.00 C ATOM 857 C LEU A 58 4.079 7.375 6.101 1.00 0.00 C ATOM 858 O LEU A 58 4.670 7.015 7.118 1.00 0.00 O ATOM 859 CB LEU A 58 5.335 7.036 3.970 1.00 0.00 C ATOM 860 CG LEU A 58 6.143 7.515 2.758 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.563 6.310 1.917 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.348 8.460 1.860 1.00 0.00 C ATOM 0 H LEU A 58 6.557 8.331 6.095 1.00 0.00 H new ATOM 0 HA LEU A 58 4.158 8.790 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.951 6.327 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.471 6.486 3.599 1.00 0.00 H new ATOM 0 HG LEU A 58 7.007 8.054 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.137 6.650 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.176 5.641 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.675 5.778 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.967 8.768 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.460 7.948 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.049 9.339 2.431 1.00 0.00 H new ATOM 874 N THR A 59 2.797 7.084 5.899 1.00 0.00 N ATOM 875 CA THR A 59 2.133 5.935 6.545 1.00 0.00 C ATOM 876 C THR A 59 2.045 4.812 5.518 1.00 0.00 C ATOM 877 O THR A 59 1.758 5.077 4.352 1.00 0.00 O ATOM 878 CB THR A 59 0.749 6.305 7.099 1.00 0.00 C ATOM 879 OG1 THR A 59 0.912 7.211 8.168 1.00 0.00 O ATOM 880 CG2 THR A 59 -0.027 5.116 7.669 1.00 0.00 C ATOM 0 H THR A 59 2.186 7.627 5.290 1.00 0.00 H new ATOM 0 HA THR A 59 2.717 5.611 7.406 1.00 0.00 H new ATOM 0 HB THR A 59 0.192 6.716 6.257 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.139 6.717 8.984 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.993 5.457 8.041 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.181 4.373 6.886 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.539 4.670 8.487 1.00 0.00 H new ATOM 888 N VAL A 60 2.301 3.562 5.914 1.00 0.00 N ATOM 889 CA VAL A 60 2.230 2.404 5.006 1.00 0.00 C ATOM 890 C VAL A 60 1.163 1.426 5.508 1.00 0.00 C ATOM 891 O VAL A 60 1.263 0.883 6.611 1.00 0.00 O ATOM 892 CB VAL A 60 3.598 1.724 4.834 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.530 0.602 3.790 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.671 2.724 4.379 1.00 0.00 C ATOM 0 H VAL A 60 2.563 3.320 6.870 1.00 0.00 H new ATOM 0 HA VAL A 60 1.942 2.755 4.015 1.00 0.00 H new ATOM 0 HB VAL A 60 3.863 1.316 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.512 0.139 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.806 -0.148 4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.224 1.017 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.625 2.209 4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.380 3.160 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.770 3.515 5.123 1.00 0.00 H new ATOM 904 N ALA A 61 0.134 1.212 4.694 1.00 0.00 N ATOM 905 CA ALA A 61 -1.055 0.425 5.000 1.00 0.00 C ATOM 906 C ALA A 61 -1.226 -0.767 4.044 1.00 0.00 C ATOM 907 O ALA A 61 -0.695 -0.765 2.930 1.00 0.00 O ATOM 908 CB ALA A 61 -2.266 1.365 4.961 1.00 0.00 C ATOM 0 H ALA A 61 0.106 1.604 3.753 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.956 -0.012 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.171 0.802 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.137 2.156 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.352 1.807 3.968 1.00 0.00 H new ATOM 914 N LYS A 62 -1.998 -1.775 4.462 1.00 0.00 N ATOM 915 CA LYS A 62 -2.300 -2.998 3.699 1.00 0.00 C ATOM 916 C LYS A 62 -3.810 -3.254 3.614 1.00 0.00 C ATOM 917 O LYS A 62 -4.517 -3.150 4.619 1.00 0.00 O ATOM 918 CB LYS A 62 -1.566 -4.202 4.320 1.00 0.00 C ATOM 919 CG LYS A 62 -0.031 -4.095 4.216 1.00 0.00 C ATOM 920 CD LYS A 62 0.703 -5.283 4.859 1.00 0.00 C ATOM 921 CE LYS A 62 0.430 -6.638 4.186 1.00 0.00 C ATOM 922 NZ LYS A 62 1.087 -6.769 2.858 1.00 0.00 N ATOM 0 H LYS A 62 -2.449 -1.764 5.377 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.943 -2.859 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.848 -4.290 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.895 -5.115 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.252 -4.027 3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.296 -3.172 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.775 -5.088 4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.415 -5.348 5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.779 -7.439 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.646 -6.769 4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.674 -7.574 2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.940 -5.897 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.106 -6.928 2.989 1.00 0.00 H new ATOM 936 N LEU A 63 -4.278 -3.623 2.421 1.00 0.00 N ATOM 937 CA LEU A 63 -5.655 -4.021 2.100 1.00 0.00 C ATOM 938 C LEU A 63 -5.603 -5.401 1.420 1.00 0.00 C ATOM 939 O LEU A 63 -5.085 -5.525 0.308 1.00 0.00 O ATOM 940 CB LEU A 63 -6.264 -2.916 1.196 1.00 0.00 C ATOM 941 CG LEU A 63 -7.765 -2.989 0.829 1.00 0.00 C ATOM 942 CD1 LEU A 63 -8.146 -4.256 0.062 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.654 -2.873 2.065 1.00 0.00 C ATOM 0 H LEU A 63 -3.672 -3.655 1.601 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.289 -4.116 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.092 -1.958 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.698 -2.904 0.265 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.933 -2.137 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.213 -4.239 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.581 -4.302 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.916 -5.132 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.701 -2.929 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.429 -3.688 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.468 -1.919 2.559 1.00 0.00 H new ATOM 955 N ASP A 64 -6.135 -6.447 2.063 1.00 0.00 N ATOM 956 CA ASP A 64 -6.180 -7.783 1.453 1.00 0.00 C ATOM 957 C ASP A 64 -7.376 -7.890 0.487 1.00 0.00 C ATOM 958 O ASP A 64 -8.533 -7.732 0.890 1.00 0.00 O ATOM 959 CB ASP A 64 -6.201 -8.898 2.510 1.00 0.00 C ATOM 960 CG ASP A 64 -5.807 -10.256 1.901 1.00 0.00 C ATOM 961 OD1 ASP A 64 -6.453 -10.676 0.916 1.00 0.00 O ATOM 962 OD2 ASP A 64 -4.867 -10.910 2.414 1.00 0.00 O ATOM 0 H ASP A 64 -6.538 -6.396 2.999 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.264 -7.921 0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.515 -8.647 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.197 -8.969 2.947 1.00 0.00 H new ATOM 967 N VAL A 65 -7.114 -8.163 -0.792 1.00 0.00 N ATOM 968 CA VAL A 65 -8.154 -8.229 -1.831 1.00 0.00 C ATOM 969 C VAL A 65 -9.118 -9.408 -1.649 1.00 0.00 C ATOM 970 O VAL A 65 -10.214 -9.393 -2.208 1.00 0.00 O ATOM 971 CB VAL A 65 -7.560 -8.222 -3.253 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.652 -7.002 -3.473 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.782 -9.484 -3.634 1.00 0.00 C ATOM 0 H VAL A 65 -6.173 -8.346 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.741 -7.319 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.434 -8.179 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.249 -7.026 -4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.230 -6.088 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.832 -7.025 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.403 -9.385 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.946 -9.618 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.442 -10.350 -3.575 1.00 0.00 H new ATOM 983 N ASP A 66 -8.748 -10.414 -0.851 1.00 0.00 N ATOM 984 CA ASP A 66 -9.613 -11.538 -0.485 1.00 0.00 C ATOM 985 C ASP A 66 -10.618 -11.178 0.625 1.00 0.00 C ATOM 986 O ASP A 66 -11.722 -11.726 0.660 1.00 0.00 O ATOM 987 CB ASP A 66 -8.730 -12.715 -0.048 1.00 0.00 C ATOM 988 CG ASP A 66 -9.463 -14.053 -0.198 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.527 -14.555 -1.346 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.939 -14.617 0.816 1.00 0.00 O ATOM 0 H ASP A 66 -7.819 -10.470 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.206 -11.809 -1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.819 -12.729 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.428 -12.579 0.990 1.00 0.00 H new ATOM 995 N THR A 67 -10.255 -10.248 1.521 1.00 0.00 N ATOM 996 CA THR A 67 -11.076 -9.849 2.682 1.00 0.00 C ATOM 997 C THR A 67 -11.896 -8.584 2.416 1.00 0.00 C ATOM 998 O THR A 67 -13.003 -8.448 2.941 1.00 0.00 O ATOM 999 CB THR A 67 -10.216 -9.655 3.946 1.00 0.00 C ATOM 1000 OG1 THR A 67 -9.430 -8.489 3.856 1.00 0.00 O ATOM 1001 CG2 THR A 67 -9.292 -10.840 4.234 1.00 0.00 C ATOM 0 H THR A 67 -9.371 -9.743 1.462 1.00 0.00 H new ATOM 0 HA THR A 67 -11.772 -10.670 2.850 1.00 0.00 H new ATOM 0 HB THR A 67 -10.928 -9.569 4.767 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.248 -8.289 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.714 -10.640 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.889 -11.741 4.377 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.613 -10.985 3.393 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.382 -7.679 1.574 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.022 -6.424 1.170 1.00 0.00 C ATOM 1011 C ASN A 68 -12.010 -6.252 -0.371 1.00 0.00 C ATOM 1012 O ASN A 68 -11.402 -5.305 -0.887 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.333 -5.263 1.915 1.00 0.00 C ATOM 1014 CG ASN A 68 -11.628 -5.226 3.404 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -12.455 -4.459 3.875 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -10.957 -6.017 4.208 1.00 0.00 N ATOM 0 H ASN A 68 -10.469 -7.808 1.138 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.076 -6.433 1.448 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.255 -5.340 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.648 -4.320 1.469 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.128 -5.987 5.213 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.264 -6.662 3.828 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.677 -7.135 -1.144 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.761 -7.013 -2.603 1.00 0.00 C ATOM 1025 C PRO A 69 -13.461 -5.723 -3.067 1.00 0.00 C ATOM 1026 O PRO A 69 -13.216 -5.264 -4.183 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.508 -8.266 -3.076 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.345 -8.668 -1.864 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.438 -8.294 -0.695 1.00 0.00 C ATOM 0 HA PRO A 69 -11.764 -6.943 -3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.134 -8.055 -3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.818 -9.058 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.293 -8.131 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.582 -9.732 -1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.022 -8.059 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.776 -9.120 -0.433 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.281 -5.092 -2.219 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.918 -3.798 -2.488 1.00 0.00 C ATOM 1039 C GLU A 70 -13.873 -2.686 -2.680 1.00 0.00 C ATOM 1040 O GLU A 70 -13.934 -1.934 -3.655 1.00 0.00 O ATOM 1041 CB GLU A 70 -15.870 -3.412 -1.340 1.00 0.00 C ATOM 1042 CG GLU A 70 -17.033 -4.393 -1.097 1.00 0.00 C ATOM 1043 CD GLU A 70 -16.661 -5.678 -0.323 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.532 -5.790 0.212 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.518 -6.593 -0.248 1.00 0.00 O ATOM 0 H GLU A 70 -14.526 -5.476 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.487 -3.903 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.290 -3.326 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.285 -2.426 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.818 -3.872 -0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.454 -4.678 -2.061 1.00 0.00 H new ATOM 1052 N THR A 71 -12.862 -2.624 -1.808 1.00 0.00 N ATOM 1053 CA THR A 71 -11.768 -1.641 -1.898 1.00 0.00 C ATOM 1054 C THR A 71 -10.826 -1.957 -3.063 1.00 0.00 C ATOM 1055 O THR A 71 -10.321 -1.042 -3.715 1.00 0.00 O ATOM 1056 CB THR A 71 -10.988 -1.542 -0.583 1.00 0.00 C ATOM 1057 OG1 THR A 71 -11.827 -1.738 0.531 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.347 -0.169 -0.397 1.00 0.00 C ATOM 0 H THR A 71 -12.775 -3.257 -1.013 1.00 0.00 H new ATOM 0 HA THR A 71 -12.226 -0.670 -2.088 1.00 0.00 H new ATOM 0 HB THR A 71 -10.224 -2.317 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.687 -1.295 0.375 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.805 -0.146 0.548 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.655 0.024 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.123 0.597 -0.389 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.646 -3.244 -3.387 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.861 -3.695 -4.538 1.00 0.00 C ATOM 1068 C ALA A 72 -10.470 -3.249 -5.882 1.00 0.00 C ATOM 1069 O ALA A 72 -9.752 -2.743 -6.750 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.705 -5.218 -4.460 1.00 0.00 C ATOM 0 H ALA A 72 -11.048 -4.010 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.878 -3.226 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.122 -5.568 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.193 -5.484 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.689 -5.686 -4.477 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.794 -3.386 -6.054 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.489 -2.951 -7.280 1.00 0.00 C ATOM 1078 C ARG A 73 -12.727 -1.438 -7.359 1.00 0.00 C ATOM 1079 O ARG A 73 -12.729 -0.897 -8.462 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.763 -3.784 -7.518 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.929 -3.458 -6.570 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.116 -4.416 -6.749 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.726 -4.320 -8.093 1.00 0.00 N ATOM 1084 CZ ARG A 73 -17.626 -3.444 -8.508 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -18.102 -2.509 -7.734 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -18.072 -3.492 -9.730 1.00 0.00 N ATOM 0 H ARG A 73 -12.411 -3.798 -5.354 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.811 -3.151 -8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.094 -3.632 -8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.514 -4.840 -7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.579 -3.506 -5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.262 -2.435 -6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.781 -5.439 -6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.872 -4.197 -5.994 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.417 -5.009 -8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.781 -2.433 -6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.795 -1.853 -8.094 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.727 -4.207 -10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.766 -2.815 -10.047 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.858 -0.741 -6.223 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.130 0.704 -6.173 1.00 0.00 C ATOM 1102 C ASN A 74 -12.079 1.549 -6.924 1.00 0.00 C ATOM 1103 O ASN A 74 -12.437 2.464 -7.667 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.239 1.138 -4.700 1.00 0.00 C ATOM 1105 CG ASN A 74 -13.593 2.609 -4.563 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -14.738 3.010 -4.718 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -12.635 3.468 -4.296 1.00 0.00 N ATOM 0 H ASN A 74 -12.777 -1.169 -5.301 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.072 0.885 -6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.997 0.535 -4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.293 0.945 -4.194 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.849 4.462 -4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.678 3.140 -4.166 1.00 0.00 H new ATOM 1114 N PHE A 75 -10.794 1.216 -6.760 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.669 1.857 -7.459 1.00 0.00 C ATOM 1116 C PHE A 75 -9.157 1.046 -8.671 1.00 0.00 C ATOM 1117 O PHE A 75 -8.100 1.361 -9.220 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.552 2.168 -6.445 1.00 0.00 C ATOM 1119 CG PHE A 75 -8.999 2.944 -5.217 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.253 4.326 -5.308 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.162 2.285 -3.982 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -9.664 5.046 -4.171 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.577 3.005 -2.847 1.00 0.00 C ATOM 1124 CZ PHE A 75 -9.824 4.385 -2.941 1.00 0.00 C ATOM 0 H PHE A 75 -10.498 0.476 -6.123 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.029 2.792 -7.889 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.105 1.229 -6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.770 2.735 -6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.132 4.835 -6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.968 1.225 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.856 6.106 -4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.706 2.497 -1.903 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.137 4.938 -2.068 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.855 -0.033 -9.061 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.391 -1.077 -9.995 1.00 0.00 C ATOM 1136 C GLN A 76 -7.925 -1.504 -9.765 1.00 0.00 C ATOM 1137 O GLN A 76 -7.108 -1.606 -10.681 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.805 -0.806 -11.452 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.175 0.455 -12.031 1.00 0.00 C ATOM 1140 CD GLN A 76 -9.431 0.601 -13.529 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -10.312 1.326 -13.972 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -8.684 -0.087 -14.369 1.00 0.00 N ATOM 0 H GLN A 76 -10.800 -0.211 -8.720 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.939 -1.986 -9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.524 -1.660 -12.068 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.890 -0.719 -11.504 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.572 1.327 -11.511 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.100 0.437 -11.849 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.946 -0.695 -14.015 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.844 -0.011 -15.374 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.594 -1.751 -8.499 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.324 -2.308 -7.992 1.00 0.00 C ATOM 1153 C VAL A 77 -6.484 -3.813 -7.720 1.00 0.00 C ATOM 1154 O VAL A 77 -5.985 -4.367 -6.742 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.828 -1.511 -6.771 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.396 -0.100 -7.172 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.893 -1.397 -5.677 1.00 0.00 C ATOM 0 H VAL A 77 -8.247 -1.556 -7.740 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.547 -2.206 -8.750 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.977 -2.066 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.051 0.439 -6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.587 -0.160 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.242 0.428 -7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.494 -0.826 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.771 -0.890 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.173 -2.394 -5.337 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.260 -4.463 -8.593 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.695 -5.861 -8.489 1.00 0.00 C ATOM 1169 C VAL A 78 -6.595 -6.851 -8.912 1.00 0.00 C ATOM 1170 O VAL A 78 -6.550 -7.978 -8.419 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.016 -6.022 -9.273 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -8.850 -5.873 -10.792 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.698 -7.359 -8.972 1.00 0.00 C ATOM 0 H VAL A 78 -7.620 -4.008 -9.432 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.885 -6.112 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.647 -5.204 -8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.818 -5.998 -11.278 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.455 -4.883 -11.019 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.159 -6.632 -11.159 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.623 -7.432 -9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.034 -8.177 -9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.923 -7.421 -7.907 1.00 0.00 H new ATOM 1183 N SER A 79 -5.659 -6.411 -9.762 1.00 0.00 N ATOM 1184 CA SER A 79 -4.366 -7.076 -9.994 1.00 0.00 C ATOM 1185 C SER A 79 -3.425 -6.840 -8.806 1.00 0.00 C ATOM 1186 O SER A 79 -3.438 -5.763 -8.208 1.00 0.00 O ATOM 1187 CB SER A 79 -3.708 -6.562 -11.280 1.00 0.00 C ATOM 1188 OG SER A 79 -4.546 -6.809 -12.401 1.00 0.00 O ATOM 0 H SER A 79 -5.780 -5.566 -10.320 1.00 0.00 H new ATOM 0 HA SER A 79 -4.553 -8.145 -10.100 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.512 -5.493 -11.193 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.745 -7.052 -11.424 1.00 0.00 H new ATOM 0 HG SER A 79 -4.113 -6.474 -13.214 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.601 -7.835 -8.460 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.819 -7.865 -7.213 1.00 0.00 C ATOM 1196 C ILE A 80 -0.393 -8.433 -7.398 1.00 0.00 C ATOM 1197 O ILE A 80 -0.198 -9.304 -8.251 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.567 -8.633 -6.086 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -2.793 -10.147 -6.310 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.866 -7.924 -5.677 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.727 -10.570 -7.452 1.00 0.00 C ATOM 0 H ILE A 80 -2.454 -8.657 -9.046 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.708 -6.823 -6.913 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.862 -8.601 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.821 -10.609 -6.484 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.185 -10.568 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.358 -8.493 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.635 -6.923 -5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.529 -7.853 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.788 -11.658 -7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.721 -10.156 -7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.336 -10.197 -8.399 1.00 0.00 H new ATOM 1213 N PRO A 81 0.602 -7.980 -6.602 1.00 0.00 N ATOM 1214 CA PRO A 81 0.526 -6.857 -5.663 1.00 0.00 C ATOM 1215 C PRO A 81 0.454 -5.516 -6.402 1.00 0.00 C ATOM 1216 O PRO A 81 1.145 -5.325 -7.404 1.00 0.00 O ATOM 1217 CB PRO A 81 1.804 -6.929 -4.824 1.00 0.00 C ATOM 1218 CG PRO A 81 2.807 -7.587 -5.771 1.00 0.00 C ATOM 1219 CD PRO A 81 1.944 -8.544 -6.593 1.00 0.00 C ATOM 0 HA PRO A 81 -0.372 -6.923 -5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.136 -5.939 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.659 -7.518 -3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.305 -6.852 -6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.587 -8.118 -5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.331 -8.643 -7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.943 -9.542 -6.154 1.00 0.00 H new ATOM 1227 N THR A 82 -0.339 -4.577 -5.883 1.00 0.00 N ATOM 1228 CA THR A 82 -0.413 -3.193 -6.375 1.00 0.00 C ATOM 1229 C THR A 82 -0.328 -2.220 -5.205 1.00 0.00 C ATOM 1230 O THR A 82 -1.167 -2.244 -4.311 1.00 0.00 O ATOM 1231 CB THR A 82 -1.690 -2.933 -7.194 1.00 0.00 C ATOM 1232 OG1 THR A 82 -1.680 -3.713 -8.365 1.00 0.00 O ATOM 1233 CG2 THR A 82 -1.800 -1.484 -7.673 1.00 0.00 C ATOM 0 H THR A 82 -0.961 -4.757 -5.094 1.00 0.00 H new ATOM 0 HA THR A 82 0.434 -3.036 -7.043 1.00 0.00 H new ATOM 0 HB THR A 82 -2.519 -3.176 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.429 -4.344 -8.344 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.719 -1.359 -8.245 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.815 -0.816 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.944 -1.243 -8.304 1.00 0.00 H new ATOM 1241 N LEU A 83 0.662 -1.331 -5.219 1.00 0.00 N ATOM 1242 CA LEU A 83 0.786 -0.221 -4.280 1.00 0.00 C ATOM 1243 C LEU A 83 0.204 1.048 -4.917 1.00 0.00 C ATOM 1244 O LEU A 83 0.506 1.362 -6.072 1.00 0.00 O ATOM 1245 CB LEU A 83 2.252 -0.006 -3.855 1.00 0.00 C ATOM 1246 CG LEU A 83 2.844 -1.047 -2.882 1.00 0.00 C ATOM 1247 CD1 LEU A 83 3.070 -2.426 -3.509 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.202 -0.544 -2.388 1.00 0.00 C ATOM 0 H LEU A 83 1.419 -1.364 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 83 0.224 -0.458 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.869 0.012 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.333 0.978 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 83 2.115 -1.162 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.488 -3.101 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.120 -2.823 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.763 -2.336 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.631 -1.272 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.872 -0.410 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.072 0.409 -1.875 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.576 1.805 -4.146 1.00 0.00 N ATOM 1261 CA ILE A 84 -1.009 3.169 -4.480 1.00 0.00 C ATOM 1262 C ILE A 84 -0.424 4.141 -3.469 1.00 0.00 C ATOM 1263 O ILE A 84 -0.513 3.900 -2.265 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.550 3.297 -4.511 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -3.182 2.473 -5.650 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.015 4.765 -4.624 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -2.882 3.019 -7.049 1.00 0.00 C ATOM 0 H ILE A 84 -0.936 1.482 -3.248 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.646 3.405 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.893 2.896 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.822 1.446 -5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.262 2.441 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.104 4.801 -4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.647 5.330 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.622 5.201 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.360 2.386 -7.797 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.267 4.035 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.805 3.025 -7.214 1.00 0.00 H new ATOM 1279 N LEU A 85 0.102 5.268 -3.952 1.00 0.00 N ATOM 1280 CA LEU A 85 0.351 6.433 -3.115 1.00 0.00 C ATOM 1281 C LEU A 85 -0.849 7.383 -3.151 1.00 0.00 C ATOM 1282 O LEU A 85 -1.150 7.964 -4.196 1.00 0.00 O ATOM 1283 CB LEU A 85 1.654 7.131 -3.544 1.00 0.00 C ATOM 1284 CG LEU A 85 2.066 8.281 -2.602 1.00 0.00 C ATOM 1285 CD1 LEU A 85 2.614 7.781 -1.266 1.00 0.00 C ATOM 1286 CD2 LEU A 85 3.149 9.123 -3.270 1.00 0.00 C ATOM 0 H LEU A 85 0.365 5.394 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 85 0.479 6.110 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.457 6.395 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.533 7.523 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 85 1.167 8.865 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.888 8.633 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.851 7.191 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.494 7.163 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.440 9.936 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.017 8.498 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.765 9.537 -4.202 1.00 0.00 H new ATOM 1298 N PHE A 86 -1.479 7.587 -1.995 1.00 0.00 N ATOM 1299 CA PHE A 86 -2.427 8.668 -1.747 1.00 0.00 C ATOM 1300 C PHE A 86 -1.677 9.822 -1.072 1.00 0.00 C ATOM 1301 O PHE A 86 -1.193 9.684 0.052 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.589 8.169 -0.873 1.00 0.00 C ATOM 1303 CG PHE A 86 -4.468 7.109 -1.512 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -4.155 5.744 -1.360 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.622 7.482 -2.227 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.995 4.760 -1.913 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -6.454 6.497 -2.791 1.00 0.00 C ATOM 1308 CZ PHE A 86 -6.143 5.136 -2.630 1.00 0.00 C ATOM 0 H PHE A 86 -1.339 6.986 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.856 9.018 -2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.179 7.768 0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.212 9.022 -0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.268 5.452 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.869 8.527 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.757 3.714 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.332 6.787 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.786 4.380 -3.057 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.575 10.973 -1.737 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.862 12.154 -1.233 1.00 0.00 C ATOM 1320 C LYS A 87 -1.893 13.133 -0.668 1.00 0.00 C ATOM 1321 O LYS A 87 -2.698 13.685 -1.415 1.00 0.00 O ATOM 1322 CB LYS A 87 0.010 12.724 -2.368 1.00 0.00 C ATOM 1323 CG LYS A 87 1.248 13.466 -1.846 1.00 0.00 C ATOM 1324 CD LYS A 87 2.167 13.887 -3.006 1.00 0.00 C ATOM 1325 CE LYS A 87 3.505 14.469 -2.519 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.345 15.806 -1.886 1.00 0.00 N ATOM 0 H LYS A 87 -1.992 11.116 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.180 11.917 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.327 11.911 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.588 13.405 -2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.938 14.347 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.797 12.825 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.361 13.024 -3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.655 14.628 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.957 13.783 -1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.192 14.549 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.273 16.156 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.938 16.470 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.711 15.728 -1.065 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.925 13.269 0.660 1.00 0.00 N ATOM 1341 CA ASP A 88 -3.002 13.943 1.409 1.00 0.00 C ATOM 1342 C ASP A 88 -4.418 13.448 1.016 1.00 0.00 C ATOM 1343 O ASP A 88 -5.349 14.232 0.806 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.828 15.472 1.357 1.00 0.00 C ATOM 1345 CG ASP A 88 -1.464 15.915 1.908 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -1.202 15.689 3.113 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -0.656 16.494 1.141 1.00 0.00 O ATOM 0 H ASP A 88 -1.187 12.907 1.264 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.910 13.657 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.931 15.814 0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.623 15.947 1.932 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.570 12.124 0.875 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.852 11.451 0.636 1.00 0.00 C ATOM 1354 C GLY A 89 -6.398 11.478 -0.798 1.00 0.00 C ATOM 1355 O GLY A 89 -7.571 11.159 -0.994 1.00 0.00 O ATOM 0 H GLY A 89 -3.784 11.476 0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.749 10.409 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.598 11.901 1.291 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.584 11.819 -1.804 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.905 11.644 -3.233 1.00 0.00 C ATOM 1361 C GLN A 90 -4.800 10.855 -3.966 1.00 0.00 C ATOM 1362 O GLN A 90 -3.623 11.068 -3.667 1.00 0.00 O ATOM 1363 CB GLN A 90 -6.207 13.000 -3.899 1.00 0.00 C ATOM 1364 CG GLN A 90 -5.074 14.038 -3.780 1.00 0.00 C ATOM 1365 CD GLN A 90 -5.361 15.355 -4.503 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -6.375 15.556 -5.161 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -4.466 16.316 -4.409 1.00 0.00 N ATOM 0 H GLN A 90 -4.665 12.233 -1.649 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.812 11.045 -3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.419 12.832 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.111 13.415 -3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.894 14.246 -2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.156 13.607 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.615 16.169 -3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.624 17.207 -4.879 1.00 0.00 H new ATOM 1376 N PRO A 91 -5.122 9.933 -4.895 1.00 0.00 N ATOM 1377 CA PRO A 91 -4.124 9.075 -5.541 1.00 0.00 C ATOM 1378 C PRO A 91 -3.201 9.865 -6.488 1.00 0.00 C ATOM 1379 O PRO A 91 -3.655 10.727 -7.245 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.925 7.991 -6.269 1.00 0.00 C ATOM 1381 CG PRO A 91 -6.257 8.677 -6.572 1.00 0.00 C ATOM 1382 CD PRO A 91 -6.459 9.593 -5.365 1.00 0.00 C ATOM 0 HA PRO A 91 -3.444 8.636 -4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.424 7.666 -7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.061 7.106 -5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -6.217 9.241 -7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.068 7.956 -6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.015 10.488 -5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.032 9.091 -4.585 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.901 9.542 -6.463 1.00 0.00 N ATOM 1391 CA VAL A 92 -0.836 10.219 -7.240 1.00 0.00 C ATOM 1392 C VAL A 92 0.066 9.239 -8.006 1.00 0.00 C ATOM 1393 O VAL A 92 0.498 9.564 -9.115 1.00 0.00 O ATOM 1394 CB VAL A 92 -0.005 11.138 -6.312 1.00 0.00 C ATOM 1395 CG1 VAL A 92 1.231 11.750 -6.986 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.862 12.310 -5.815 1.00 0.00 C ATOM 0 H VAL A 92 -1.543 8.780 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.328 10.827 -7.999 1.00 0.00 H new ATOM 0 HB VAL A 92 0.325 10.491 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.760 12.381 -6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.892 10.953 -7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.919 12.352 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.264 12.947 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.214 12.891 -6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.718 11.925 -5.260 1.00 0.00 H new ATOM 1406 N LYS A 93 0.333 8.039 -7.467 1.00 0.00 N ATOM 1407 CA LYS A 93 1.220 7.029 -8.082 1.00 0.00 C ATOM 1408 C LYS A 93 0.678 5.608 -7.895 1.00 0.00 C ATOM 1409 O LYS A 93 0.120 5.299 -6.842 1.00 0.00 O ATOM 1410 CB LYS A 93 2.647 7.184 -7.509 1.00 0.00 C ATOM 1411 CG LYS A 93 3.690 6.320 -8.245 1.00 0.00 C ATOM 1412 CD LYS A 93 5.132 6.500 -7.746 1.00 0.00 C ATOM 1413 CE LYS A 93 5.640 7.937 -7.929 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.119 8.012 -7.837 1.00 0.00 N ATOM 0 H LYS A 93 -0.065 7.735 -6.579 1.00 0.00 H new ATOM 0 HA LYS A 93 1.256 7.199 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.944 8.231 -7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.640 6.914 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.412 5.271 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.655 6.557 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.185 6.231 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.788 5.815 -8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.316 8.317 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.195 8.580 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.409 9.003 -7.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.445 7.449 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.541 7.637 -8.711 1.00 0.00 H new ATOM 1428 N ARG A 94 0.894 4.749 -8.897 1.00 0.00 N ATOM 1429 CA ARG A 94 0.640 3.297 -8.889 1.00 0.00 C ATOM 1430 C ARG A 94 1.923 2.523 -9.217 1.00 0.00 C ATOM 1431 O ARG A 94 2.636 2.877 -10.155 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.497 2.966 -9.878 1.00 0.00 C ATOM 1433 CG ARG A 94 -0.914 1.482 -9.843 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.012 1.135 -10.860 1.00 0.00 C ATOM 1435 NE ARG A 94 -3.296 1.805 -10.554 1.00 0.00 N ATOM 1436 CZ ARG A 94 -4.500 1.264 -10.487 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -4.720 0.008 -10.759 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -5.514 1.997 -10.132 1.00 0.00 N ATOM 0 H ARG A 94 1.273 5.064 -9.790 1.00 0.00 H new ATOM 0 HA ARG A 94 0.325 2.989 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.363 3.586 -9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.179 3.224 -10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.039 0.861 -10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.265 1.234 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.683 1.424 -11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.163 0.056 -10.874 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.245 2.807 -10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.947 -0.597 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.665 -0.370 -10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.377 2.983 -9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.446 1.586 -10.078 1.00 0.00 H new ATOM 1452 N ILE A 95 2.183 1.452 -8.468 1.00 0.00 N ATOM 1453 CA ILE A 95 3.256 0.471 -8.706 1.00 0.00 C ATOM 1454 C ILE A 95 2.622 -0.927 -8.654 1.00 0.00 C ATOM 1455 O ILE A 95 1.893 -1.216 -7.710 1.00 0.00 O ATOM 1456 CB ILE A 95 4.389 0.626 -7.656 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.957 2.068 -7.611 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.513 -0.390 -7.936 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.976 2.321 -6.490 1.00 0.00 C ATOM 0 H ILE A 95 1.630 1.229 -7.640 1.00 0.00 H new ATOM 0 HA ILE A 95 3.716 0.633 -9.681 1.00 0.00 H new ATOM 0 HB ILE A 95 3.956 0.424 -6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.428 2.288 -8.569 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.129 2.767 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.303 -0.273 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.111 -1.402 -7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.922 -0.215 -8.931 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.318 3.355 -6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.507 2.137 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.827 1.651 -6.614 1.00 0.00 H new ATOM 1471 N VAL A 96 2.872 -1.799 -9.633 1.00 0.00 N ATOM 1472 CA VAL A 96 2.307 -3.168 -9.690 1.00 0.00 C ATOM 1473 C VAL A 96 3.377 -4.213 -10.023 1.00 0.00 C ATOM 1474 O VAL A 96 4.305 -3.951 -10.793 1.00 0.00 O ATOM 1475 CB VAL A 96 1.056 -3.242 -10.602 1.00 0.00 C ATOM 1476 CG1 VAL A 96 1.277 -2.604 -11.982 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.522 -4.663 -10.825 1.00 0.00 C ATOM 0 H VAL A 96 3.479 -1.581 -10.423 1.00 0.00 H new ATOM 0 HA VAL A 96 1.952 -3.421 -8.691 1.00 0.00 H new ATOM 0 HB VAL A 96 0.314 -2.672 -10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.365 -2.688 -12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.534 -1.552 -11.859 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.090 -3.119 -12.495 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.353 -4.625 -11.474 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.295 -5.273 -11.293 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.245 -5.102 -9.867 1.00 0.00 H new ATOM 1487 N GLY A 97 3.249 -5.397 -9.414 1.00 0.00 N ATOM 1488 CA GLY A 97 4.263 -6.456 -9.404 1.00 0.00 C ATOM 1489 C GLY A 97 5.303 -6.271 -8.289 1.00 0.00 C ATOM 1490 O GLY A 97 5.492 -5.169 -7.765 1.00 0.00 O ATOM 0 H GLY A 97 2.408 -5.653 -8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.773 -7.422 -9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.770 -6.477 -10.369 1.00 0.00 H new ATOM 1494 N ALA A 98 5.967 -7.360 -7.897 1.00 0.00 N ATOM 1495 CA ALA A 98 6.975 -7.341 -6.834 1.00 0.00 C ATOM 1496 C ALA A 98 8.270 -6.634 -7.278 1.00 0.00 C ATOM 1497 O ALA A 98 8.757 -6.845 -8.394 1.00 0.00 O ATOM 1498 CB ALA A 98 7.248 -8.777 -6.371 1.00 0.00 C ATOM 0 H ALA A 98 5.821 -8.282 -8.308 1.00 0.00 H new ATOM 0 HA ALA A 98 6.586 -6.763 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.998 -8.768 -5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.326 -9.219 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.614 -9.367 -7.211 1.00 0.00 H new ATOM 1504 N LYS A 99 8.838 -5.816 -6.383 1.00 0.00 N ATOM 1505 CA LYS A 99 10.106 -5.085 -6.563 1.00 0.00 C ATOM 1506 C LYS A 99 11.019 -5.255 -5.344 1.00 0.00 C ATOM 1507 O LYS A 99 10.534 -5.484 -4.234 1.00 0.00 O ATOM 1508 CB LYS A 99 9.818 -3.601 -6.866 1.00 0.00 C ATOM 1509 CG LYS A 99 9.091 -3.429 -8.210 1.00 0.00 C ATOM 1510 CD LYS A 99 9.035 -1.965 -8.659 1.00 0.00 C ATOM 1511 CE LYS A 99 8.322 -1.884 -10.014 1.00 0.00 C ATOM 1512 NZ LYS A 99 8.401 -0.520 -10.587 1.00 0.00 N ATOM 0 H LYS A 99 8.411 -5.636 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 99 10.639 -5.506 -7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.211 -3.177 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.755 -3.044 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.597 -4.021 -8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.077 -3.819 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.506 -1.364 -7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.043 -1.557 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.770 -2.597 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.277 -2.170 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.999 -0.523 -11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.864 0.140 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.395 -0.218 -10.629 1.00 0.00 H new ATOM 1526 N GLY A 100 12.334 -5.133 -5.540 1.00 0.00 N ATOM 1527 CA GLY A 100 13.314 -5.145 -4.457 1.00 0.00 C ATOM 1528 C GLY A 100 13.354 -3.807 -3.725 1.00 0.00 C ATOM 1529 O GLY A 100 12.888 -2.784 -4.234 1.00 0.00 O ATOM 0 H GLY A 100 12.750 -5.022 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.069 -5.940 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.301 -5.370 -4.861 1.00 0.00 H new ATOM 1533 N LYS A 101 13.957 -3.801 -2.536 1.00 0.00 N ATOM 1534 CA LYS A 101 14.076 -2.622 -1.658 1.00 0.00 C ATOM 1535 C LYS A 101 14.726 -1.416 -2.350 1.00 0.00 C ATOM 1536 O LYS A 101 14.320 -0.284 -2.105 1.00 0.00 O ATOM 1537 CB LYS A 101 14.838 -3.043 -0.384 1.00 0.00 C ATOM 1538 CG LYS A 101 14.295 -2.458 0.926 1.00 0.00 C ATOM 1539 CD LYS A 101 14.377 -0.928 1.009 1.00 0.00 C ATOM 1540 CE LYS A 101 14.115 -0.410 2.426 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.166 -0.837 3.383 1.00 0.00 N ATOM 0 H LYS A 101 14.390 -4.635 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 101 13.075 -2.279 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.820 -4.130 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.882 -2.747 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.255 -2.763 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.850 -2.887 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.364 -0.601 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.652 -0.489 0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.062 0.679 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.145 -0.771 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.242 -0.138 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.915 -1.764 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.078 -0.909 2.888 1.00 0.00 H new ATOM 1555 N ALA A 102 15.678 -1.646 -3.255 1.00 0.00 N ATOM 1556 CA ALA A 102 16.363 -0.576 -3.989 1.00 0.00 C ATOM 1557 C ALA A 102 15.466 0.075 -5.063 1.00 0.00 C ATOM 1558 O ALA A 102 15.497 1.294 -5.261 1.00 0.00 O ATOM 1559 CB ALA A 102 17.650 -1.161 -4.585 1.00 0.00 C ATOM 0 H ALA A 102 15.998 -2.582 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 102 16.609 0.234 -3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.180 -0.385 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.286 -1.534 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.399 -1.980 -5.259 1.00 0.00 H new ATOM 1565 N ALA A 103 14.641 -0.733 -5.737 1.00 0.00 N ATOM 1566 CA ALA A 103 13.684 -0.278 -6.742 1.00 0.00 C ATOM 1567 C ALA A 103 12.478 0.423 -6.091 1.00 0.00 C ATOM 1568 O ALA A 103 12.126 1.540 -6.489 1.00 0.00 O ATOM 1569 CB ALA A 103 13.282 -1.481 -7.601 1.00 0.00 C ATOM 0 H ALA A 103 14.622 -1.743 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 103 14.141 0.473 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.566 -1.164 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.167 -1.893 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.827 -2.243 -6.969 1.00 0.00 H new ATOM 1575 N LEU A 104 11.897 -0.166 -5.032 1.00 0.00 N ATOM 1576 CA LEU A 104 10.815 0.499 -4.311 1.00 0.00 C ATOM 1577 C LEU A 104 11.319 1.784 -3.641 1.00 0.00 C ATOM 1578 O LEU A 104 10.691 2.823 -3.829 1.00 0.00 O ATOM 1579 CB LEU A 104 10.107 -0.457 -3.332 1.00 0.00 C ATOM 1580 CG LEU A 104 8.861 0.186 -2.678 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.784 0.588 -3.691 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.211 -0.764 -1.677 1.00 0.00 C ATOM 0 H LEU A 104 12.156 -1.083 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 104 10.054 0.796 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.810 -1.361 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.807 -0.760 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 104 9.235 1.083 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.938 1.032 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.197 1.313 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.450 -0.295 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.338 -0.284 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.903 -1.676 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.926 -1.011 -0.893 1.00 0.00 H new ATOM 1594 N LEU A 105 12.464 1.782 -2.941 1.00 0.00 N ATOM 1595 CA LEU A 105 12.943 3.026 -2.332 1.00 0.00 C ATOM 1596 C LEU A 105 13.427 4.055 -3.354 1.00 0.00 C ATOM 1597 O LEU A 105 13.276 5.217 -3.028 1.00 0.00 O ATOM 1598 CB LEU A 105 13.946 2.828 -1.179 1.00 0.00 C ATOM 1599 CG LEU A 105 14.286 4.142 -0.411 1.00 0.00 C ATOM 1600 CD1 LEU A 105 13.080 4.837 0.234 1.00 0.00 C ATOM 1601 CD2 LEU A 105 15.261 3.806 0.710 1.00 0.00 C ATOM 0 H LEU A 105 13.054 0.965 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 105 12.053 3.449 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.539 2.102 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.867 2.403 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 105 14.694 4.826 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.411 5.741 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.357 5.101 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.614 4.164 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.511 4.714 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.802 3.087 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 105 16.169 3.377 0.286 1.00 0.00 H new ATOM 1613 N ARG A 106 13.909 3.762 -4.575 1.00 0.00 N ATOM 1614 CA ARG A 106 14.116 4.869 -5.552 1.00 0.00 C ATOM 1615 C ARG A 106 12.786 5.461 -6.053 1.00 0.00 C ATOM 1616 O ARG A 106 12.590 6.685 -6.040 1.00 0.00 O ATOM 1617 CB ARG A 106 15.117 4.498 -6.660 1.00 0.00 C ATOM 1618 CG ARG A 106 14.603 3.489 -7.696 1.00 0.00 C ATOM 1619 CD ARG A 106 15.709 2.995 -8.634 1.00 0.00 C ATOM 1620 NE ARG A 106 16.730 2.220 -7.903 1.00 0.00 N ATOM 1621 CZ ARG A 106 17.879 1.781 -8.385 1.00 0.00 C ATOM 1622 NH1 ARG A 106 18.204 1.919 -9.639 1.00 0.00 N ATOM 1623 NH2 ARG A 106 18.739 1.194 -7.605 1.00 0.00 N ATOM 0 H ARG A 106 14.153 2.828 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 106 14.598 5.688 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 106 15.413 5.409 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 106 16.015 4.091 -6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 106 14.161 2.637 -7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 106 13.811 3.950 -8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.273 2.376 -9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.179 3.847 -9.125 1.00 0.00 H new ATOM 0 HE ARG A 106 16.528 2.001 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 106 17.562 2.379 -10.285 1.00 0.00 H new ATOM 0 HH12 ARG A 106 19.100 1.567 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 106 18.528 1.070 -6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.624 0.857 -7.984 1.00 0.00 H new ATOM 1637 N GLU A 107 11.826 4.590 -6.378 1.00 0.00 N ATOM 1638 CA GLU A 107 10.483 5.000 -6.825 1.00 0.00 C ATOM 1639 C GLU A 107 9.682 5.747 -5.740 1.00 0.00 C ATOM 1640 O GLU A 107 8.809 6.556 -6.070 1.00 0.00 O ATOM 1641 CB GLU A 107 9.720 3.782 -7.373 1.00 0.00 C ATOM 1642 CG GLU A 107 10.327 3.328 -8.713 1.00 0.00 C ATOM 1643 CD GLU A 107 9.709 2.028 -9.254 1.00 0.00 C ATOM 1644 OE1 GLU A 107 8.480 1.812 -9.127 1.00 0.00 O ATOM 1645 OE2 GLU A 107 10.440 1.216 -9.874 1.00 0.00 O ATOM 0 H GLU A 107 11.954 3.579 -6.340 1.00 0.00 H new ATOM 0 HA GLU A 107 10.612 5.724 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.761 2.965 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.669 4.035 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.194 4.119 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.401 3.187 -8.588 1.00 0.00 H new ATOM 1652 N LEU A 108 10.014 5.540 -4.460 1.00 0.00 N ATOM 1653 CA LEU A 108 9.534 6.336 -3.326 1.00 0.00 C ATOM 1654 C LEU A 108 10.474 7.481 -2.933 1.00 0.00 C ATOM 1655 O LEU A 108 9.984 8.485 -2.433 1.00 0.00 O ATOM 1656 CB LEU A 108 9.284 5.425 -2.117 1.00 0.00 C ATOM 1657 CG LEU A 108 8.215 4.347 -2.350 1.00 0.00 C ATOM 1658 CD1 LEU A 108 8.127 3.494 -1.088 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.835 4.923 -2.666 1.00 0.00 C ATOM 0 H LEU A 108 10.644 4.790 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 108 8.604 6.802 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.220 4.939 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.984 6.040 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 108 8.513 3.762 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.374 2.718 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.094 3.030 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.850 4.123 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.127 4.108 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.500 5.543 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.892 5.529 -3.570 1.00 0.00 H new ATOM 1671 N SER A 109 11.783 7.396 -3.189 1.00 0.00 N ATOM 1672 CA SER A 109 12.760 8.492 -2.982 1.00 0.00 C ATOM 1673 C SER A 109 12.400 9.705 -3.859 1.00 0.00 C ATOM 1674 O SER A 109 12.710 10.853 -3.541 1.00 0.00 O ATOM 1675 CB SER A 109 14.206 8.127 -3.336 1.00 0.00 C ATOM 1676 OG SER A 109 14.767 7.274 -2.361 1.00 0.00 O ATOM 0 H SER A 109 12.212 6.546 -3.555 1.00 0.00 H new ATOM 0 HA SER A 109 12.703 8.707 -1.915 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.233 7.639 -4.310 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.804 9.035 -3.417 1.00 0.00 H new ATOM 0 HG SER A 109 14.542 6.344 -2.572 1.00 0.00 H new ATOM 1682 N ASP A 110 11.704 9.450 -4.973 1.00 0.00 N ATOM 1683 CA ASP A 110 11.018 10.478 -5.777 1.00 0.00 C ATOM 1684 C ASP A 110 10.041 11.386 -4.972 1.00 0.00 C ATOM 1685 O ASP A 110 9.773 12.518 -5.380 1.00 0.00 O ATOM 1686 CB ASP A 110 10.281 9.737 -6.899 1.00 0.00 C ATOM 1687 CG ASP A 110 9.564 10.667 -7.886 1.00 0.00 C ATOM 1688 OD1 ASP A 110 10.233 11.491 -8.554 1.00 0.00 O ATOM 1689 OD2 ASP A 110 8.326 10.516 -8.034 1.00 0.00 O ATOM 0 H ASP A 110 11.598 8.509 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 110 11.765 11.173 -6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.995 9.122 -7.447 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.551 9.059 -6.456 1.00 0.00 H new ATOM 1694 N VAL A 111 9.536 10.922 -3.818 1.00 0.00 N ATOM 1695 CA VAL A 111 8.644 11.630 -2.877 1.00 0.00 C ATOM 1696 C VAL A 111 9.339 11.880 -1.527 1.00 0.00 C ATOM 1697 O VAL A 111 9.364 13.007 -1.030 1.00 0.00 O ATOM 1698 CB VAL A 111 7.354 10.800 -2.689 1.00 0.00 C ATOM 1699 CG1 VAL A 111 6.431 11.372 -1.608 1.00 0.00 C ATOM 1700 CG2 VAL A 111 6.565 10.743 -4.005 1.00 0.00 C ATOM 0 H VAL A 111 9.753 9.980 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 111 8.392 12.606 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 111 7.675 9.806 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.542 10.748 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.957 11.390 -0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.137 12.386 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.658 10.156 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.297 11.754 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.179 10.279 -4.777 1.00 0.00 H new ATOM 1710 N VAL A 112 9.926 10.829 -0.952 1.00 0.00 N ATOM 1711 CA VAL A 112 10.674 10.786 0.314 1.00 0.00 C ATOM 1712 C VAL A 112 12.088 11.312 0.066 1.00 0.00 C ATOM 1713 O VAL A 112 12.846 10.653 -0.640 1.00 0.00 O ATOM 1714 CB VAL A 112 10.687 9.338 0.864 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.269 9.268 2.277 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.281 8.722 0.951 1.00 0.00 C ATOM 0 H VAL A 112 9.890 9.910 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 112 10.197 11.417 1.064 1.00 0.00 H new ATOM 0 HB VAL A 112 11.302 8.784 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.259 8.235 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.294 9.638 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.669 9.882 2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.352 7.707 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.660 9.324 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.833 8.697 -0.042 1.00 0.00 H new