USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 543 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 68 SER OG : rot 180:sc= 0.00975 USER MOD Set 1.2: A 71 SER OG : rot 149:sc= -0.422 USER MOD Set 2.1: A 2 GLN : amide:sc= 1.01 K(o=1.8,f=-7.1!) USER MOD Set 2.2: A 81 THR OG1 : rot 127:sc= 0.811 USER MOD Single : A 3 HIS : no HE2:sc= -9.46! C(o=-9.5!,f=-12!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -6.19! K(o=-6.2!,f=-0.49) USER MOD Single : A 33 ASN : amide:sc= -9.92! C(o=-9.9!,f=-5.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -125:sc= 0.00547 (180deg=-0.226) USER MOD Single : A 62 SER OG : rot 180:sc= 0.29 USER MOD Single : A 65 HIS : no HE2:sc= -5.42! C(o=-5.4!,f=-8!) USER MOD Single : A 80 THR OG1 : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 10.487 -6.222 -0.156 1.00 0.00 N ATOM 21 CA GLN A 2 10.214 -6.936 -1.435 1.00 0.00 C ATOM 22 C GLN A 2 9.110 -6.190 -2.185 1.00 0.00 C ATOM 23 O GLN A 2 8.165 -5.711 -1.590 1.00 0.00 O ATOM 24 CB GLN A 2 9.757 -8.366 -1.138 1.00 0.00 C ATOM 25 CG GLN A 2 10.888 -9.127 -0.443 1.00 0.00 C ATOM 26 CD GLN A 2 10.421 -10.545 -0.110 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.239 -10.827 -0.126 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.305 -11.455 0.197 1.00 0.00 N ATOM 0 HA GLN A 2 11.119 -6.971 -2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.870 -8.352 -0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.479 -8.870 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.766 -9.164 -1.088 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.184 -8.607 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.297 -11.218 0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.004 -12.403 0.423 1.00 0.00 H new ATOM 37 N HIS A 3 9.226 -6.078 -3.481 1.00 0.00 N ATOM 38 CA HIS A 3 8.187 -5.351 -4.267 1.00 0.00 C ATOM 39 C HIS A 3 7.751 -4.105 -3.492 1.00 0.00 C ATOM 40 O HIS A 3 6.658 -3.603 -3.663 1.00 0.00 O ATOM 41 CB HIS A 3 6.980 -6.265 -4.501 1.00 0.00 C ATOM 42 CG HIS A 3 6.095 -6.266 -3.286 1.00 0.00 C ATOM 43 ND1 HIS A 3 6.345 -7.076 -2.186 1.00 0.00 N ATOM 44 CD2 HIS A 3 4.952 -5.566 -2.983 1.00 0.00 C ATOM 45 CE1 HIS A 3 5.374 -6.846 -1.283 1.00 0.00 C ATOM 46 NE2 HIS A 3 4.503 -5.936 -1.721 1.00 0.00 N ATOM 0 H HIS A 3 9.996 -6.459 -4.030 1.00 0.00 H new ATOM 0 HA HIS A 3 8.599 -5.055 -5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.418 -5.924 -5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.317 -7.279 -4.717 1.00 0.00 H new ATOM 0 HD1 HIS A 3 7.123 -7.727 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.476 -4.840 -3.626 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.308 -7.337 -0.323 1.00 0.00 H new ATOM 55 N ALA A 4 8.605 -3.607 -2.636 1.00 0.00 N ATOM 56 CA ALA A 4 8.251 -2.397 -1.841 1.00 0.00 C ATOM 57 C ALA A 4 7.996 -1.219 -2.783 1.00 0.00 C ATOM 58 O ALA A 4 7.120 -0.408 -2.554 1.00 0.00 O ATOM 59 CB ALA A 4 9.407 -2.052 -0.901 1.00 0.00 C ATOM 0 H ALA A 4 9.534 -3.988 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 4 7.351 -2.597 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.151 -1.167 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.591 -2.889 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.305 -1.853 -1.486 1.00 0.00 H new ATOM 65 N SER A 5 8.754 -1.115 -3.841 1.00 0.00 N ATOM 66 CA SER A 5 8.549 0.013 -4.792 1.00 0.00 C ATOM 67 C SER A 5 7.127 -0.040 -5.349 1.00 0.00 C ATOM 68 O SER A 5 6.484 0.974 -5.539 1.00 0.00 O ATOM 69 CB SER A 5 9.552 -0.098 -5.941 1.00 0.00 C ATOM 70 OG SER A 5 10.869 -0.161 -5.410 1.00 0.00 O ATOM 0 H SER A 5 9.504 -1.761 -4.087 1.00 0.00 H new ATOM 0 HA SER A 5 8.699 0.958 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.344 -0.988 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.456 0.760 -6.607 1.00 0.00 H new ATOM 0 HG SER A 5 11.514 -0.234 -6.144 1.00 0.00 H new ATOM 76 N VAL A 6 6.627 -1.216 -5.606 1.00 0.00 N ATOM 77 CA VAL A 6 5.244 -1.337 -6.145 1.00 0.00 C ATOM 78 C VAL A 6 4.254 -0.820 -5.101 1.00 0.00 C ATOM 79 O VAL A 6 3.260 -0.200 -5.420 1.00 0.00 O ATOM 80 CB VAL A 6 4.942 -2.800 -6.457 1.00 0.00 C ATOM 81 CG1 VAL A 6 3.471 -2.946 -6.850 1.00 0.00 C ATOM 82 CG2 VAL A 6 5.827 -3.268 -7.615 1.00 0.00 C ATOM 0 H VAL A 6 7.117 -2.100 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 6 5.153 -0.750 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 6 5.144 -3.408 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.256 -3.991 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.840 -2.613 -6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.268 -2.338 -7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.612 -4.313 -7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.625 -2.660 -8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.876 -3.165 -7.336 1.00 0.00 H new ATOM 92 N ILE A 7 4.516 -1.081 -3.854 1.00 0.00 N ATOM 93 CA ILE A 7 3.596 -0.612 -2.784 1.00 0.00 C ATOM 94 C ILE A 7 3.571 0.917 -2.750 1.00 0.00 C ATOM 95 O ILE A 7 2.525 1.529 -2.678 1.00 0.00 O ATOM 96 CB ILE A 7 4.088 -1.140 -1.437 1.00 0.00 C ATOM 97 CG1 ILE A 7 4.155 -2.668 -1.486 1.00 0.00 C ATOM 98 CG2 ILE A 7 3.120 -0.708 -0.334 1.00 0.00 C ATOM 99 CD1 ILE A 7 4.805 -3.196 -0.206 1.00 0.00 C ATOM 0 H ILE A 7 5.331 -1.601 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 7 2.590 -0.981 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 7 5.079 -0.737 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.153 -3.082 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.728 -2.989 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.471 -1.085 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.069 0.380 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.129 -1.111 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.851 -4.284 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.814 -2.793 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.214 -2.888 0.656 1.00 0.00 H new ATOM 111 N ALA A 8 4.719 1.538 -2.786 1.00 0.00 N ATOM 112 CA ALA A 8 4.765 3.028 -2.738 1.00 0.00 C ATOM 113 C ALA A 8 4.096 3.627 -3.976 1.00 0.00 C ATOM 114 O ALA A 8 3.260 4.500 -3.877 1.00 0.00 O ATOM 115 CB ALA A 8 6.223 3.489 -2.680 1.00 0.00 C ATOM 0 H ALA A 8 5.627 1.078 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 8 4.230 3.366 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.259 4.578 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.698 3.081 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.751 3.137 -3.566 1.00 0.00 H new ATOM 121 N GLN A 9 4.458 3.173 -5.143 1.00 0.00 N ATOM 122 CA GLN A 9 3.838 3.733 -6.377 1.00 0.00 C ATOM 123 C GLN A 9 2.373 3.299 -6.466 1.00 0.00 C ATOM 124 O GLN A 9 1.509 4.068 -6.835 1.00 0.00 O ATOM 125 CB GLN A 9 4.599 3.248 -7.615 1.00 0.00 C ATOM 126 CG GLN A 9 4.744 1.727 -7.570 1.00 0.00 C ATOM 127 CD GLN A 9 3.946 1.104 -8.717 1.00 0.00 C ATOM 128 OE1 GLN A 9 4.504 0.732 -9.730 1.00 0.00 O ATOM 129 NE2 GLN A 9 2.652 0.977 -8.600 1.00 0.00 N ATOM 0 H GLN A 9 5.153 2.442 -5.296 1.00 0.00 H new ATOM 0 HA GLN A 9 3.888 4.821 -6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.068 3.545 -8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.583 3.715 -7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.795 1.449 -7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.386 1.345 -6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.184 1.289 -7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.109 0.565 -9.359 1.00 0.00 H new ATOM 138 N PHE A 10 2.086 2.070 -6.135 1.00 0.00 N ATOM 139 CA PHE A 10 0.676 1.590 -6.207 1.00 0.00 C ATOM 140 C PHE A 10 -0.196 2.366 -5.219 1.00 0.00 C ATOM 141 O PHE A 10 -1.233 2.891 -5.573 1.00 0.00 O ATOM 142 CB PHE A 10 0.630 0.099 -5.866 1.00 0.00 C ATOM 143 CG PHE A 10 -0.785 -0.409 -6.009 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.260 -0.820 -7.261 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.622 -0.470 -4.888 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.572 -1.292 -7.391 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.933 -0.942 -5.019 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.408 -1.353 -6.270 1.00 0.00 C ATOM 0 H PHE A 10 2.765 1.378 -5.818 1.00 0.00 H new ATOM 0 HA PHE A 10 0.296 1.750 -7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.295 -0.456 -6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.984 -0.063 -4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.615 -0.773 -8.126 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.256 -0.153 -3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.939 -1.609 -8.356 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.579 -0.989 -4.154 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.420 -1.717 -6.370 1.00 0.00 H new ATOM 158 N VAL A 11 0.212 2.441 -3.984 1.00 0.00 N ATOM 159 CA VAL A 11 -0.601 3.182 -2.977 1.00 0.00 C ATOM 160 C VAL A 11 -0.570 4.680 -3.290 1.00 0.00 C ATOM 161 O VAL A 11 -1.567 5.367 -3.180 1.00 0.00 O ATOM 162 CB VAL A 11 -0.033 2.936 -1.577 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.236 3.766 -1.382 1.00 0.00 C ATOM 164 CG2 VAL A 11 -1.071 3.347 -0.530 1.00 0.00 C ATOM 0 H VAL A 11 1.071 2.023 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.631 2.829 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 11 0.205 1.878 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.637 3.588 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.977 3.478 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.000 4.824 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.669 3.173 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.307 4.405 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.977 2.756 -0.665 1.00 0.00 H new ATOM 174 N VAL A 12 0.566 5.191 -3.677 1.00 0.00 N ATOM 175 CA VAL A 12 0.662 6.644 -3.996 1.00 0.00 C ATOM 176 C VAL A 12 -0.165 6.956 -5.244 1.00 0.00 C ATOM 177 O VAL A 12 -0.792 7.992 -5.340 1.00 0.00 O ATOM 178 CB VAL A 12 2.123 7.014 -4.244 1.00 0.00 C ATOM 179 CG1 VAL A 12 2.213 8.464 -4.721 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.917 6.857 -2.946 1.00 0.00 C ATOM 0 H VAL A 12 1.433 4.665 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 12 0.277 7.224 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 12 2.537 6.355 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.257 8.725 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.649 8.578 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.797 9.124 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.960 7.121 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.501 7.515 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.857 5.823 -2.606 1.00 0.00 H new ATOM 190 N GLU A 13 -0.164 6.072 -6.202 1.00 0.00 N ATOM 191 CA GLU A 13 -0.941 6.320 -7.451 1.00 0.00 C ATOM 192 C GLU A 13 -2.388 6.674 -7.105 1.00 0.00 C ATOM 193 O GLU A 13 -3.047 7.397 -7.823 1.00 0.00 O ATOM 194 CB GLU A 13 -0.920 5.066 -8.324 1.00 0.00 C ATOM 195 CG GLU A 13 -1.606 5.361 -9.657 1.00 0.00 C ATOM 196 CD GLU A 13 -1.676 4.080 -10.490 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.231 3.055 -10.003 1.00 0.00 O ATOM 198 OE2 GLU A 13 -2.175 4.147 -11.602 1.00 0.00 O ATOM 0 H GLU A 13 0.342 5.187 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.488 7.151 -7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.108 4.746 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.428 4.247 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.609 5.750 -9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.056 6.130 -10.199 1.00 0.00 H new ATOM 205 N GLU A 14 -2.889 6.167 -6.014 1.00 0.00 N ATOM 206 CA GLU A 14 -4.296 6.474 -5.632 1.00 0.00 C ATOM 207 C GLU A 14 -4.430 7.966 -5.313 1.00 0.00 C ATOM 208 O GLU A 14 -5.474 8.557 -5.505 1.00 0.00 O ATOM 209 CB GLU A 14 -4.684 5.650 -4.403 1.00 0.00 C ATOM 210 CG GLU A 14 -4.676 4.164 -4.762 1.00 0.00 C ATOM 211 CD GLU A 14 -5.135 3.345 -3.554 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.281 3.924 -2.491 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.333 2.151 -3.714 1.00 0.00 O ATOM 0 H GLU A 14 -2.387 5.555 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.958 6.222 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.986 5.842 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.673 5.945 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.335 3.980 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.675 3.857 -5.064 1.00 0.00 H new ATOM 220 N PHE A 15 -3.388 8.581 -4.823 1.00 0.00 N ATOM 221 CA PHE A 15 -3.473 10.033 -4.492 1.00 0.00 C ATOM 222 C PHE A 15 -2.152 10.726 -4.837 1.00 0.00 C ATOM 223 O PHE A 15 -1.695 11.597 -4.125 1.00 0.00 O ATOM 224 CB PHE A 15 -3.760 10.194 -2.996 1.00 0.00 C ATOM 225 CG PHE A 15 -2.597 9.658 -2.195 1.00 0.00 C ATOM 226 CD1 PHE A 15 -1.639 10.537 -1.675 1.00 0.00 C ATOM 227 CD2 PHE A 15 -2.476 8.281 -1.975 1.00 0.00 C ATOM 228 CE1 PHE A 15 -0.559 10.038 -0.936 1.00 0.00 C ATOM 229 CE2 PHE A 15 -1.397 7.783 -1.234 1.00 0.00 C ATOM 230 CZ PHE A 15 -0.439 8.660 -0.715 1.00 0.00 C ATOM 0 H PHE A 15 -2.485 8.144 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.276 10.488 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.924 11.245 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.673 9.661 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.733 11.600 -1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.214 7.603 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.181 10.716 -0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.305 6.721 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.393 8.275 -0.144 1.00 0.00 H new ATOM 240 N LEU A 16 -1.529 10.354 -5.924 1.00 0.00 N ATOM 241 CA LEU A 16 -0.242 11.002 -6.296 1.00 0.00 C ATOM 242 C LEU A 16 -0.510 12.351 -6.981 1.00 0.00 C ATOM 243 O LEU A 16 -1.303 12.435 -7.897 1.00 0.00 O ATOM 244 CB LEU A 16 0.561 10.072 -7.230 1.00 0.00 C ATOM 245 CG LEU A 16 0.346 10.408 -8.718 1.00 0.00 C ATOM 246 CD1 LEU A 16 1.199 9.464 -9.565 1.00 0.00 C ATOM 247 CD2 LEU A 16 -1.126 10.219 -9.100 1.00 0.00 C ATOM 0 H LEU A 16 -1.856 9.632 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 16 0.343 11.182 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.622 10.150 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.269 9.038 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 16 0.630 11.445 -8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.055 9.692 -10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.250 9.592 -9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.901 8.433 -9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.262 10.460 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.417 9.184 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.747 10.879 -8.494 1.00 0.00 H new ATOM 301 N ALA A 20 5.963 12.385 -9.472 1.00 0.00 N ATOM 302 CA ALA A 20 6.048 10.902 -9.600 1.00 0.00 C ATOM 303 C ALA A 20 6.352 10.284 -8.224 1.00 0.00 C ATOM 304 O ALA A 20 7.121 10.834 -7.460 1.00 0.00 O ATOM 305 CB ALA A 20 7.174 10.544 -10.573 1.00 0.00 C ATOM 0 HA ALA A 20 5.100 10.513 -9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.240 9.460 -10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.965 10.984 -11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.119 10.933 -10.194 1.00 0.00 H new ATOM 311 N PRO A 21 5.768 9.148 -7.900 1.00 0.00 N ATOM 312 CA PRO A 21 6.017 8.478 -6.591 1.00 0.00 C ATOM 313 C PRO A 21 7.512 8.339 -6.290 1.00 0.00 C ATOM 314 O PRO A 21 7.932 8.357 -5.149 1.00 0.00 O ATOM 315 CB PRO A 21 5.393 7.089 -6.748 1.00 0.00 C ATOM 316 CG PRO A 21 4.420 7.186 -7.877 1.00 0.00 C ATOM 317 CD PRO A 21 4.814 8.392 -8.733 1.00 0.00 C ATOM 0 HA PRO A 21 5.595 9.055 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.158 6.342 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.892 6.783 -5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.435 6.274 -8.473 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.405 7.303 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.270 8.079 -9.672 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.944 8.998 -8.988 1.00 0.00 H new ATOM 325 N ALA A 22 8.317 8.197 -7.306 1.00 0.00 N ATOM 326 CA ALA A 22 9.784 8.053 -7.088 1.00 0.00 C ATOM 327 C ALA A 22 10.340 9.336 -6.467 1.00 0.00 C ATOM 328 O ALA A 22 11.352 9.326 -5.794 1.00 0.00 O ATOM 329 CB ALA A 22 10.473 7.798 -8.429 1.00 0.00 C ATOM 0 H ALA A 22 8.021 8.174 -8.282 1.00 0.00 H new ATOM 0 HA ALA A 22 9.970 7.216 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.546 7.692 -8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.079 6.883 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.285 8.636 -9.100 1.00 0.00 H new ATOM 335 N ASP A 23 9.685 10.441 -6.690 1.00 0.00 N ATOM 336 CA ASP A 23 10.170 11.727 -6.119 1.00 0.00 C ATOM 337 C ASP A 23 9.419 12.016 -4.819 1.00 0.00 C ATOM 338 O ASP A 23 9.532 13.081 -4.246 1.00 0.00 O ATOM 339 CB ASP A 23 9.919 12.858 -7.119 1.00 0.00 C ATOM 340 CG ASP A 23 10.811 12.659 -8.346 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.707 11.833 -8.276 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.583 13.336 -9.335 1.00 0.00 O ATOM 0 H ASP A 23 8.832 10.508 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 23 11.239 11.657 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.870 12.869 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.129 13.822 -6.655 1.00 0.00 H new ATOM 347 N VAL A 24 8.656 11.070 -4.348 1.00 0.00 N ATOM 348 CA VAL A 24 7.900 11.282 -3.085 1.00 0.00 C ATOM 349 C VAL A 24 8.647 10.595 -1.942 1.00 0.00 C ATOM 350 O VAL A 24 9.137 9.493 -2.084 1.00 0.00 O ATOM 351 CB VAL A 24 6.500 10.679 -3.216 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.699 10.967 -1.945 1.00 0.00 C ATOM 353 CG2 VAL A 24 5.788 11.303 -4.418 1.00 0.00 C ATOM 0 H VAL A 24 8.524 10.158 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 24 7.811 12.349 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 24 6.580 9.601 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.702 10.537 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.206 10.525 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.618 12.045 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.790 10.874 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.708 12.381 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.358 11.099 -5.325 1.00 0.00 H new ATOM 363 N ASP A 25 8.751 11.240 -0.815 1.00 0.00 N ATOM 364 CA ASP A 25 9.480 10.622 0.323 1.00 0.00 C ATOM 365 C ASP A 25 8.686 9.426 0.854 1.00 0.00 C ATOM 366 O ASP A 25 7.917 9.545 1.787 1.00 0.00 O ATOM 367 CB ASP A 25 9.652 11.654 1.439 1.00 0.00 C ATOM 368 CG ASP A 25 10.585 12.769 0.963 1.00 0.00 C ATOM 369 OD1 ASP A 25 10.645 13.789 1.631 1.00 0.00 O ATOM 370 OD2 ASP A 25 11.223 12.585 -0.059 1.00 0.00 O ATOM 0 H ASP A 25 8.363 12.166 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 25 10.459 10.284 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.683 12.070 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.062 11.178 2.330 1.00 0.00 H new ATOM 375 N VAL A 26 8.873 8.274 0.270 1.00 0.00 N ATOM 376 CA VAL A 26 8.133 7.072 0.750 1.00 0.00 C ATOM 377 C VAL A 26 8.490 6.817 2.216 1.00 0.00 C ATOM 378 O VAL A 26 8.003 5.892 2.834 1.00 0.00 O ATOM 379 CB VAL A 26 8.529 5.858 -0.092 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.267 6.154 -1.570 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.016 5.561 0.112 1.00 0.00 C ATOM 0 H VAL A 26 9.503 8.113 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 26 7.060 7.239 0.657 1.00 0.00 H new ATOM 0 HB VAL A 26 7.939 4.994 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.549 5.289 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.208 6.367 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.857 7.017 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.300 4.696 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.605 6.425 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.204 5.350 1.165 1.00 0.00 H new ATOM 391 N ASP A 27 9.332 7.642 2.779 1.00 0.00 N ATOM 392 CA ASP A 27 9.715 7.461 4.207 1.00 0.00 C ATOM 393 C ASP A 27 8.767 8.282 5.081 1.00 0.00 C ATOM 394 O ASP A 27 8.956 8.412 6.274 1.00 0.00 O ATOM 395 CB ASP A 27 11.152 7.944 4.416 1.00 0.00 C ATOM 396 CG ASP A 27 12.114 7.034 3.650 1.00 0.00 C ATOM 397 OD1 ASP A 27 13.266 7.410 3.505 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.682 5.977 3.219 1.00 0.00 O ATOM 0 H ASP A 27 9.771 8.434 2.310 1.00 0.00 H new ATOM 0 HA ASP A 27 9.648 6.407 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.255 8.973 4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.398 7.939 5.478 1.00 0.00 H new ATOM 403 N LEU A 28 7.746 8.838 4.489 1.00 0.00 N ATOM 404 CA LEU A 28 6.774 9.656 5.265 1.00 0.00 C ATOM 405 C LEU A 28 5.645 8.763 5.766 1.00 0.00 C ATOM 406 O LEU A 28 5.143 7.920 5.048 1.00 0.00 O ATOM 407 CB LEU A 28 6.187 10.740 4.360 1.00 0.00 C ATOM 408 CG LEU A 28 5.290 11.675 5.178 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.093 12.897 5.621 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.105 12.121 4.318 1.00 0.00 C ATOM 0 H LEU A 28 7.543 8.759 3.493 1.00 0.00 H new ATOM 0 HA LEU A 28 7.283 10.116 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.990 11.310 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.611 10.282 3.556 1.00 0.00 H new ATOM 0 HG LEU A 28 4.922 11.149 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.454 13.561 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.936 12.576 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.463 13.427 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.465 12.786 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.472 12.647 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.532 11.247 4.006 1.00 0.00 H new ATOM 422 N ASP A 29 5.227 8.947 6.986 1.00 0.00 N ATOM 423 CA ASP A 29 4.117 8.113 7.507 1.00 0.00 C ATOM 424 C ASP A 29 2.861 8.448 6.710 1.00 0.00 C ATOM 425 O ASP A 29 2.434 9.584 6.657 1.00 0.00 O ATOM 426 CB ASP A 29 3.888 8.421 8.989 1.00 0.00 C ATOM 427 CG ASP A 29 5.107 7.971 9.798 1.00 0.00 C ATOM 428 OD1 ASP A 29 5.202 8.356 10.952 1.00 0.00 O ATOM 429 OD2 ASP A 29 5.925 7.251 9.249 1.00 0.00 O ATOM 0 H ASP A 29 5.604 9.634 7.639 1.00 0.00 H new ATOM 0 HA ASP A 29 4.359 7.055 7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.720 9.489 9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.994 7.909 9.344 1.00 0.00 H new ATOM 434 N LEU A 30 2.276 7.477 6.072 1.00 0.00 N ATOM 435 CA LEU A 30 1.063 7.756 5.262 1.00 0.00 C ATOM 436 C LEU A 30 -0.129 8.026 6.183 1.00 0.00 C ATOM 437 O LEU A 30 -1.240 8.223 5.730 1.00 0.00 O ATOM 438 CB LEU A 30 0.763 6.556 4.363 1.00 0.00 C ATOM 439 CG LEU A 30 0.338 5.368 5.224 1.00 0.00 C ATOM 440 CD1 LEU A 30 -1.161 5.124 5.052 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.112 4.124 4.786 1.00 0.00 C ATOM 0 H LEU A 30 2.584 6.505 6.076 1.00 0.00 H new ATOM 0 HA LEU A 30 1.238 8.636 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.027 6.807 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.645 6.297 3.777 1.00 0.00 H new ATOM 0 HG LEU A 30 0.552 5.581 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.464 4.276 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.712 6.012 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.377 4.909 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.811 3.274 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.896 3.911 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.181 4.299 4.908 1.00 0.00 H new ATOM 453 N VAL A 31 0.085 8.043 7.471 1.00 0.00 N ATOM 454 CA VAL A 31 -1.049 8.309 8.400 1.00 0.00 C ATOM 455 C VAL A 31 -1.744 9.595 7.965 1.00 0.00 C ATOM 456 O VAL A 31 -2.954 9.695 7.976 1.00 0.00 O ATOM 457 CB VAL A 31 -0.525 8.461 9.829 1.00 0.00 C ATOM 458 CG1 VAL A 31 0.158 9.821 9.981 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.693 8.365 10.812 1.00 0.00 C ATOM 0 H VAL A 31 0.989 7.885 7.917 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.754 7.478 8.372 1.00 0.00 H new ATOM 0 HB VAL A 31 0.194 7.669 10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.531 9.929 10.999 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.990 9.891 9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.560 10.614 9.772 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.321 8.473 11.831 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.411 9.157 10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.180 7.396 10.705 1.00 0.00 H new ATOM 469 N ASP A 32 -0.988 10.572 7.551 1.00 0.00 N ATOM 470 CA ASP A 32 -1.613 11.836 7.081 1.00 0.00 C ATOM 471 C ASP A 32 -2.549 11.482 5.930 1.00 0.00 C ATOM 472 O ASP A 32 -3.601 12.065 5.757 1.00 0.00 O ATOM 473 CB ASP A 32 -0.530 12.802 6.593 1.00 0.00 C ATOM 474 CG ASP A 32 0.325 13.253 7.778 1.00 0.00 C ATOM 475 OD1 ASP A 32 1.367 13.841 7.541 1.00 0.00 O ATOM 476 OD2 ASP A 32 -0.078 13.003 8.903 1.00 0.00 O ATOM 0 H ASP A 32 0.031 10.550 7.518 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.162 12.318 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.095 12.315 5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.989 13.666 6.112 1.00 0.00 H new ATOM 481 N ASN A 33 -2.165 10.507 5.152 1.00 0.00 N ATOM 482 CA ASN A 33 -3.010 10.068 4.014 1.00 0.00 C ATOM 483 C ASN A 33 -4.047 9.074 4.537 1.00 0.00 C ATOM 484 O ASN A 33 -4.645 8.328 3.787 1.00 0.00 O ATOM 485 CB ASN A 33 -2.136 9.386 2.962 1.00 0.00 C ATOM 486 CG ASN A 33 -1.003 10.326 2.545 1.00 0.00 C ATOM 487 OD1 ASN A 33 -0.277 10.043 1.615 1.00 0.00 O ATOM 488 ND2 ASN A 33 -0.814 11.436 3.206 1.00 0.00 N ATOM 0 H ASN A 33 -1.291 9.992 5.261 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.507 10.927 3.563 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.724 8.460 3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.738 9.118 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.056 12.065 2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.424 11.674 3.988 1.00 0.00 H new ATOM 495 N GLY A 34 -4.248 9.050 5.829 1.00 0.00 N ATOM 496 CA GLY A 34 -5.231 8.099 6.424 1.00 0.00 C ATOM 497 C GLY A 34 -6.491 8.054 5.562 1.00 0.00 C ATOM 498 O GLY A 34 -7.282 7.140 5.653 1.00 0.00 O ATOM 0 H GLY A 34 -3.771 9.652 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.792 7.104 6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.483 8.409 7.438 1.00 0.00 H new ATOM 502 N VAL A 35 -6.682 9.025 4.717 1.00 0.00 N ATOM 503 CA VAL A 35 -7.890 9.015 3.846 1.00 0.00 C ATOM 504 C VAL A 35 -7.968 7.660 3.139 1.00 0.00 C ATOM 505 O VAL A 35 -9.033 7.117 2.917 1.00 0.00 O ATOM 506 CB VAL A 35 -7.780 10.130 2.804 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.887 9.967 1.761 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.927 11.487 3.494 1.00 0.00 C ATOM 0 H VAL A 35 -6.058 9.822 4.591 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.785 9.176 4.447 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.808 10.073 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.808 10.762 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.784 9.000 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.859 10.023 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.849 12.282 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.899 11.542 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.138 11.605 4.237 1.00 0.00 H new ATOM 518 N ILE A 36 -6.837 7.114 2.788 1.00 0.00 N ATOM 519 CA ILE A 36 -6.809 5.795 2.097 1.00 0.00 C ATOM 520 C ILE A 36 -7.217 4.688 3.076 1.00 0.00 C ATOM 521 O ILE A 36 -7.518 3.578 2.686 1.00 0.00 O ATOM 522 CB ILE A 36 -5.384 5.525 1.611 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.403 4.490 0.485 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.550 4.986 2.773 1.00 0.00 C ATOM 525 CD1 ILE A 36 -4.005 3.894 0.316 1.00 0.00 C ATOM 0 H ILE A 36 -5.921 7.531 2.953 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.502 5.809 1.256 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.950 6.453 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.121 3.702 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.726 4.956 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.533 4.792 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.529 5.721 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.993 4.060 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.018 3.156 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.299 4.687 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.700 3.413 1.245 1.00 0.00 H new ATOM 537 N ASP A 37 -7.198 4.977 4.348 1.00 0.00 N ATOM 538 CA ASP A 37 -7.547 3.943 5.366 1.00 0.00 C ATOM 539 C ASP A 37 -8.935 3.349 5.106 1.00 0.00 C ATOM 540 O ASP A 37 -9.177 2.198 5.409 1.00 0.00 O ATOM 541 CB ASP A 37 -7.530 4.570 6.762 1.00 0.00 C ATOM 542 CG ASP A 37 -6.111 5.028 7.100 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.194 4.610 6.412 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.965 5.789 8.043 1.00 0.00 O ATOM 0 H ASP A 37 -6.954 5.891 4.730 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.808 3.144 5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.215 5.417 6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.876 3.847 7.501 1.00 0.00 H new ATOM 549 N SER A 38 -9.858 4.118 4.590 1.00 0.00 N ATOM 550 CA SER A 38 -11.233 3.572 4.362 1.00 0.00 C ATOM 551 C SER A 38 -11.621 3.621 2.880 1.00 0.00 C ATOM 552 O SER A 38 -11.844 2.602 2.256 1.00 0.00 O ATOM 553 CB SER A 38 -12.236 4.399 5.167 1.00 0.00 C ATOM 554 OG SER A 38 -11.975 4.228 6.564 1.00 0.00 O ATOM 0 H SER A 38 -9.724 5.092 4.318 1.00 0.00 H new ATOM 0 HA SER A 38 -11.244 2.530 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.157 5.452 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.254 4.085 4.934 1.00 0.00 H new ATOM 0 HG SER A 38 -12.615 4.758 7.084 1.00 0.00 H new ATOM 559 N LEU A 39 -11.738 4.792 2.321 1.00 0.00 N ATOM 560 CA LEU A 39 -12.150 4.895 0.892 1.00 0.00 C ATOM 561 C LEU A 39 -11.120 4.228 -0.013 1.00 0.00 C ATOM 562 O LEU A 39 -11.454 3.450 -0.885 1.00 0.00 O ATOM 563 CB LEU A 39 -12.277 6.368 0.507 1.00 0.00 C ATOM 564 CG LEU A 39 -13.377 7.026 1.341 1.00 0.00 C ATOM 565 CD1 LEU A 39 -12.745 7.856 2.460 1.00 0.00 C ATOM 566 CD2 LEU A 39 -14.218 7.936 0.444 1.00 0.00 C ATOM 0 H LEU A 39 -11.567 5.682 2.790 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.108 4.390 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.328 6.880 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.509 6.458 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.012 6.255 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.530 8.324 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.145 7.208 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.109 8.628 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.003 8.406 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.582 8.706 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.670 7.345 -0.353 1.00 0.00 H new ATOM 578 N GLY A 40 -9.872 4.529 0.182 1.00 0.00 N ATOM 579 CA GLY A 40 -8.818 3.921 -0.669 1.00 0.00 C ATOM 580 C GLY A 40 -8.666 2.441 -0.333 1.00 0.00 C ATOM 581 O GLY A 40 -8.531 1.606 -1.204 1.00 0.00 O ATOM 0 H GLY A 40 -9.534 5.173 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.076 4.039 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.871 4.437 -0.513 1.00 0.00 H new ATOM 585 N LEU A 41 -8.681 2.108 0.927 1.00 0.00 N ATOM 586 CA LEU A 41 -8.528 0.679 1.312 1.00 0.00 C ATOM 587 C LEU A 41 -9.690 -0.132 0.748 1.00 0.00 C ATOM 588 O LEU A 41 -9.518 -1.245 0.297 1.00 0.00 O ATOM 589 CB LEU A 41 -8.511 0.550 2.836 1.00 0.00 C ATOM 590 CG LEU A 41 -7.109 0.148 3.299 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.070 0.098 4.827 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.766 -1.234 2.740 1.00 0.00 C ATOM 0 H LEU A 41 -8.792 2.760 1.703 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.589 0.300 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.800 1.496 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.239 -0.195 3.157 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.385 0.879 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.071 -0.188 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.317 1.080 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.794 -0.634 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.767 -1.522 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.491 -1.963 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.794 -1.203 1.651 1.00 0.00 H new ATOM 604 N LEU A 42 -10.873 0.413 0.764 1.00 0.00 N ATOM 605 CA LEU A 42 -12.031 -0.347 0.223 1.00 0.00 C ATOM 606 C LEU A 42 -11.755 -0.682 -1.242 1.00 0.00 C ATOM 607 O LEU A 42 -11.970 -1.793 -1.686 1.00 0.00 O ATOM 608 CB LEU A 42 -13.297 0.508 0.326 1.00 0.00 C ATOM 609 CG LEU A 42 -14.513 -0.325 -0.074 1.00 0.00 C ATOM 610 CD1 LEU A 42 -14.999 -1.115 1.138 1.00 0.00 C ATOM 611 CD2 LEU A 42 -15.630 0.601 -0.561 1.00 0.00 C ATOM 0 H LEU A 42 -11.087 1.343 1.125 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.174 -1.265 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.416 0.878 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.212 1.380 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.239 -1.012 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.867 -1.712 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.203 -1.773 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.274 -0.425 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.497 0.006 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.908 1.288 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.281 1.170 -1.423 1.00 0.00 H new ATOM 623 N LYS A 43 -11.260 0.263 -1.992 1.00 0.00 N ATOM 624 CA LYS A 43 -10.949 -0.008 -3.418 1.00 0.00 C ATOM 625 C LYS A 43 -9.806 -1.023 -3.495 1.00 0.00 C ATOM 626 O LYS A 43 -9.785 -1.891 -4.344 1.00 0.00 O ATOM 627 CB LYS A 43 -10.528 1.292 -4.098 1.00 0.00 C ATOM 628 CG LYS A 43 -11.709 2.266 -4.113 1.00 0.00 C ATOM 629 CD LYS A 43 -11.323 3.522 -4.896 1.00 0.00 C ATOM 630 CE LYS A 43 -12.459 4.544 -4.814 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.500 5.134 -3.446 1.00 0.00 N ATOM 0 H LYS A 43 -11.058 1.212 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.829 -0.410 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.684 1.735 -3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.196 1.091 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.579 1.793 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.988 2.531 -3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.406 3.949 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.123 3.267 -5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.310 5.329 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.411 4.065 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.451 5.012 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.803 4.655 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.274 6.148 -3.498 1.00 0.00 H new ATOM 645 N VAL A 44 -8.852 -0.910 -2.610 1.00 0.00 N ATOM 646 CA VAL A 44 -7.700 -1.858 -2.620 1.00 0.00 C ATOM 647 C VAL A 44 -8.184 -3.276 -2.303 1.00 0.00 C ATOM 648 O VAL A 44 -7.719 -4.241 -2.877 1.00 0.00 O ATOM 649 CB VAL A 44 -6.677 -1.425 -1.570 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.567 -2.472 -1.476 1.00 0.00 C ATOM 651 CG2 VAL A 44 -6.075 -0.077 -1.970 1.00 0.00 C ATOM 0 H VAL A 44 -8.821 -0.200 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.240 -1.850 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.169 -1.330 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.838 -2.163 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.996 -3.432 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.075 -2.568 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.345 0.232 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.584 -0.171 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.866 0.670 -2.036 1.00 0.00 H new ATOM 661 N ILE A 45 -9.101 -3.412 -1.387 1.00 0.00 N ATOM 662 CA ILE A 45 -9.600 -4.767 -1.025 1.00 0.00 C ATOM 663 C ILE A 45 -10.171 -5.456 -2.269 1.00 0.00 C ATOM 664 O ILE A 45 -9.832 -6.581 -2.573 1.00 0.00 O ATOM 665 CB ILE A 45 -10.692 -4.635 0.043 1.00 0.00 C ATOM 666 CG1 ILE A 45 -10.078 -4.769 1.444 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.740 -5.727 -0.150 1.00 0.00 C ATOM 668 CD1 ILE A 45 -9.234 -3.534 1.759 1.00 0.00 C ATOM 0 H ILE A 45 -9.527 -2.641 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.778 -5.366 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.160 -3.656 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.867 -4.881 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.461 -5.666 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.513 -5.628 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.190 -5.629 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.267 -6.705 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.800 -3.634 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.435 -3.442 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.863 -2.645 1.725 1.00 0.00 H new ATOM 680 N ALA A 46 -11.033 -4.793 -2.990 1.00 0.00 N ATOM 681 CA ALA A 46 -11.614 -5.423 -4.209 1.00 0.00 C ATOM 682 C ALA A 46 -10.497 -5.683 -5.221 1.00 0.00 C ATOM 683 O ALA A 46 -10.479 -6.692 -5.899 1.00 0.00 O ATOM 684 CB ALA A 46 -12.653 -4.483 -4.824 1.00 0.00 C ATOM 0 H ALA A 46 -11.359 -3.847 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.093 -6.365 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.078 -4.944 -5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.446 -4.294 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.176 -3.541 -5.095 1.00 0.00 H new ATOM 690 N TRP A 47 -9.561 -4.782 -5.320 1.00 0.00 N ATOM 691 CA TRP A 47 -8.436 -4.968 -6.277 1.00 0.00 C ATOM 692 C TRP A 47 -7.575 -6.148 -5.828 1.00 0.00 C ATOM 693 O TRP A 47 -7.115 -6.938 -6.628 1.00 0.00 O ATOM 694 CB TRP A 47 -7.590 -3.693 -6.302 1.00 0.00 C ATOM 695 CG TRP A 47 -6.289 -3.959 -6.986 1.00 0.00 C ATOM 696 CD1 TRP A 47 -6.107 -4.017 -8.325 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.984 -4.196 -6.383 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.772 -4.275 -8.582 1.00 0.00 N ATOM 699 CE2 TRP A 47 -4.039 -4.393 -7.418 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.535 -4.257 -5.053 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.695 -4.643 -7.140 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.182 -4.508 -4.770 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.265 -4.701 -5.811 1.00 0.00 C ATOM 0 H TRP A 47 -9.527 -3.920 -4.776 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.827 -5.169 -7.274 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.128 -2.899 -6.821 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.411 -3.345 -5.285 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.877 -3.884 -9.071 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.377 -4.367 -9.518 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.234 -4.110 -4.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.991 -4.791 -7.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.847 -4.552 -3.744 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.226 -4.895 -5.587 1.00 0.00 H new ATOM 714 N LEU A 48 -7.352 -6.267 -4.549 1.00 0.00 N ATOM 715 CA LEU A 48 -6.518 -7.385 -4.034 1.00 0.00 C ATOM 716 C LEU A 48 -7.168 -8.723 -4.394 1.00 0.00 C ATOM 717 O LEU A 48 -6.508 -9.652 -4.818 1.00 0.00 O ATOM 718 CB LEU A 48 -6.420 -7.259 -2.514 1.00 0.00 C ATOM 719 CG LEU A 48 -5.416 -8.265 -1.974 1.00 0.00 C ATOM 720 CD1 LEU A 48 -4.021 -7.655 -2.044 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.761 -8.593 -0.520 1.00 0.00 C ATOM 0 H LEU A 48 -7.714 -5.634 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.524 -7.342 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.116 -6.248 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.397 -7.430 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.448 -9.179 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.292 -8.368 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.781 -7.414 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.991 -6.746 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.043 -9.314 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.722 -7.682 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.764 -9.017 -0.471 1.00 0.00 H new ATOM 733 N GLU A 49 -8.458 -8.828 -4.229 1.00 0.00 N ATOM 734 CA GLU A 49 -9.155 -10.103 -4.561 1.00 0.00 C ATOM 735 C GLU A 49 -9.088 -10.359 -6.068 1.00 0.00 C ATOM 736 O GLU A 49 -8.978 -11.483 -6.509 1.00 0.00 O ATOM 737 CB GLU A 49 -10.620 -10.012 -4.112 1.00 0.00 C ATOM 738 CG GLU A 49 -11.372 -11.282 -4.509 1.00 0.00 C ATOM 739 CD GLU A 49 -12.834 -11.165 -4.077 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.197 -10.125 -3.554 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.569 -12.119 -4.278 1.00 0.00 O ATOM 0 H GLU A 49 -9.061 -8.084 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.666 -10.928 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.669 -9.874 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.094 -9.142 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.311 -11.431 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.912 -12.152 -4.040 1.00 0.00 H new ATOM 748 N ASP A 50 -9.171 -9.332 -6.862 1.00 0.00 N ATOM 749 CA ASP A 50 -9.131 -9.532 -8.337 1.00 0.00 C ATOM 750 C ASP A 50 -7.794 -10.146 -8.768 1.00 0.00 C ATOM 751 O ASP A 50 -7.754 -11.062 -9.565 1.00 0.00 O ATOM 752 CB ASP A 50 -9.315 -8.186 -9.033 1.00 0.00 C ATOM 753 CG ASP A 50 -9.500 -8.407 -10.535 1.00 0.00 C ATOM 754 OD1 ASP A 50 -9.579 -9.555 -10.940 1.00 0.00 O ATOM 755 OD2 ASP A 50 -9.560 -7.424 -11.255 1.00 0.00 O ATOM 0 H ASP A 50 -9.265 -8.364 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.934 -10.214 -8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.181 -7.668 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.448 -7.550 -8.853 1.00 0.00 H new ATOM 760 N ARG A 51 -6.701 -9.635 -8.275 1.00 0.00 N ATOM 761 CA ARG A 51 -5.375 -10.176 -8.689 1.00 0.00 C ATOM 762 C ARG A 51 -4.944 -11.361 -7.813 1.00 0.00 C ATOM 763 O ARG A 51 -4.552 -12.396 -8.314 1.00 0.00 O ATOM 764 CB ARG A 51 -4.333 -9.066 -8.587 1.00 0.00 C ATOM 765 CG ARG A 51 -4.635 -7.989 -9.631 1.00 0.00 C ATOM 766 CD ARG A 51 -3.514 -6.949 -9.630 1.00 0.00 C ATOM 767 NE ARG A 51 -3.900 -5.803 -10.501 1.00 0.00 N ATOM 768 CZ ARG A 51 -3.001 -4.927 -10.861 1.00 0.00 C ATOM 769 NH1 ARG A 51 -3.340 -3.924 -11.625 1.00 0.00 N ATOM 770 NH2 ARG A 51 -1.767 -5.054 -10.459 1.00 0.00 N ATOM 0 H ARG A 51 -6.667 -8.867 -7.604 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.458 -10.533 -9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.344 -8.632 -7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.335 -9.473 -8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.726 -8.440 -10.619 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.589 -7.511 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.327 -6.601 -8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.587 -7.397 -9.989 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.865 -5.703 -10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.305 -3.826 -11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.639 -3.239 -11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.503 -5.838 -9.863 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.066 -4.369 -10.741 1.00 0.00 H new ATOM 784 N PHE A 52 -4.975 -11.212 -6.517 1.00 0.00 N ATOM 785 CA PHE A 52 -4.524 -12.323 -5.630 1.00 0.00 C ATOM 786 C PHE A 52 -5.617 -13.385 -5.476 1.00 0.00 C ATOM 787 O PHE A 52 -5.335 -14.530 -5.181 1.00 0.00 O ATOM 788 CB PHE A 52 -4.158 -11.752 -4.262 1.00 0.00 C ATOM 789 CG PHE A 52 -2.924 -10.893 -4.400 1.00 0.00 C ATOM 790 CD1 PHE A 52 -3.048 -9.506 -4.539 1.00 0.00 C ATOM 791 CD2 PHE A 52 -1.656 -11.485 -4.392 1.00 0.00 C ATOM 792 CE1 PHE A 52 -1.902 -8.711 -4.671 1.00 0.00 C ATOM 793 CE2 PHE A 52 -0.511 -10.691 -4.524 1.00 0.00 C ATOM 794 CZ PHE A 52 -0.634 -9.303 -4.664 1.00 0.00 C ATOM 0 H PHE A 52 -5.292 -10.371 -6.034 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.654 -12.800 -6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.985 -11.162 -3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.976 -12.560 -3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.026 -9.049 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.561 -12.555 -4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.997 -7.641 -4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.467 -11.149 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.249 -8.690 -4.766 1.00 0.00 H new ATOM 804 N GLY A 53 -6.855 -13.032 -5.668 1.00 0.00 N ATOM 805 CA GLY A 53 -7.938 -14.048 -5.524 1.00 0.00 C ATOM 806 C GLY A 53 -8.237 -14.278 -4.041 1.00 0.00 C ATOM 807 O GLY A 53 -8.614 -15.360 -3.635 1.00 0.00 O ATOM 0 H GLY A 53 -7.165 -12.093 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.838 -13.710 -6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.636 -14.984 -5.993 1.00 0.00 H new ATOM 811 N ILE A 54 -8.079 -13.269 -3.228 1.00 0.00 N ATOM 812 CA ILE A 54 -8.359 -13.430 -1.773 1.00 0.00 C ATOM 813 C ILE A 54 -9.741 -12.850 -1.474 1.00 0.00 C ATOM 814 O ILE A 54 -10.094 -11.796 -1.954 1.00 0.00 O ATOM 815 CB ILE A 54 -7.302 -12.678 -0.967 1.00 0.00 C ATOM 816 CG1 ILE A 54 -5.914 -13.190 -1.354 1.00 0.00 C ATOM 817 CG2 ILE A 54 -7.534 -12.911 0.526 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.849 -12.259 -0.776 1.00 0.00 C ATOM 0 H ILE A 54 -7.768 -12.339 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.333 -14.485 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.371 -11.611 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.770 -14.203 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.821 -13.237 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.779 -12.374 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.525 -12.549 0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.464 -13.977 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.859 -12.623 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.990 -11.254 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.938 -12.235 0.310 1.00 0.00 H new ATOM 830 N ALA A 55 -10.533 -13.529 -0.694 1.00 0.00 N ATOM 831 CA ALA A 55 -11.896 -13.011 -0.393 1.00 0.00 C ATOM 832 C ALA A 55 -11.791 -11.660 0.314 1.00 0.00 C ATOM 833 O ALA A 55 -11.021 -11.484 1.237 1.00 0.00 O ATOM 834 CB ALA A 55 -12.631 -14.002 0.511 1.00 0.00 C ATOM 0 H ALA A 55 -10.297 -14.418 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.447 -12.888 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.629 -13.623 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.712 -14.964 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.077 -14.126 1.441 1.00 0.00 H new ATOM 840 N ALA A 56 -12.569 -10.704 -0.118 1.00 0.00 N ATOM 841 CA ALA A 56 -12.529 -9.358 0.518 1.00 0.00 C ATOM 842 C ALA A 56 -13.030 -9.462 1.960 1.00 0.00 C ATOM 843 O ALA A 56 -12.598 -8.738 2.835 1.00 0.00 O ATOM 844 CB ALA A 56 -13.434 -8.405 -0.265 1.00 0.00 C ATOM 0 H ALA A 56 -13.232 -10.799 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.506 -8.981 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.409 -7.418 0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.083 -8.334 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.456 -8.784 -0.255 1.00 0.00 H new ATOM 924 N SER A 62 -5.053 -3.724 11.106 1.00 0.00 N ATOM 925 CA SER A 62 -5.542 -2.605 11.957 1.00 0.00 C ATOM 926 C SER A 62 -4.950 -1.287 11.450 1.00 0.00 C ATOM 927 O SER A 62 -3.980 -1.277 10.717 1.00 0.00 O ATOM 928 CB SER A 62 -5.104 -2.836 13.404 1.00 0.00 C ATOM 929 OG SER A 62 -4.330 -1.728 13.844 1.00 0.00 O ATOM 0 HA SER A 62 -6.630 -2.559 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.977 -2.961 14.044 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.520 -3.754 13.477 1.00 0.00 H new ATOM 0 HG SER A 62 -4.049 -1.873 14.772 1.00 0.00 H new ATOM 935 N PRO A 63 -5.531 -0.184 11.837 1.00 0.00 N ATOM 936 CA PRO A 63 -5.059 1.167 11.417 1.00 0.00 C ATOM 937 C PRO A 63 -3.599 1.414 11.806 1.00 0.00 C ATOM 938 O PRO A 63 -2.879 2.128 11.135 1.00 0.00 O ATOM 939 CB PRO A 63 -5.983 2.143 12.159 1.00 0.00 C ATOM 940 CG PRO A 63 -6.679 1.340 13.210 1.00 0.00 C ATOM 941 CD PRO A 63 -6.701 -0.104 12.719 1.00 0.00 C ATOM 0 HA PRO A 63 -5.097 1.283 10.334 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.412 2.957 12.605 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.701 2.595 11.475 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.157 1.416 14.164 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.692 1.709 13.371 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.629 -0.810 13.546 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.623 -0.332 12.184 1.00 0.00 H new ATOM 949 N GLU A 64 -3.156 0.826 12.881 1.00 0.00 N ATOM 950 CA GLU A 64 -1.744 1.019 13.312 1.00 0.00 C ATOM 951 C GLU A 64 -0.803 0.425 12.261 1.00 0.00 C ATOM 952 O GLU A 64 0.300 0.894 12.058 1.00 0.00 O ATOM 953 CB GLU A 64 -1.519 0.316 14.649 1.00 0.00 C ATOM 954 CG GLU A 64 -2.367 0.981 15.727 1.00 0.00 C ATOM 955 CD GLU A 64 -2.088 0.322 17.079 1.00 0.00 C ATOM 956 OE1 GLU A 64 -2.558 0.842 18.078 1.00 0.00 O ATOM 957 OE2 GLU A 64 -1.408 -0.690 17.093 1.00 0.00 O ATOM 0 H GLU A 64 -3.713 0.218 13.482 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.541 2.084 13.422 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.781 -0.739 14.565 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.465 0.362 14.922 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.140 2.046 15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.425 0.891 15.479 1.00 0.00 H new ATOM 964 N HIS A 65 -1.230 -0.615 11.601 1.00 0.00 N ATOM 965 CA HIS A 65 -0.371 -1.263 10.568 1.00 0.00 C ATOM 966 C HIS A 65 -0.198 -0.343 9.354 1.00 0.00 C ATOM 967 O HIS A 65 0.769 -0.441 8.629 1.00 0.00 O ATOM 968 CB HIS A 65 -1.027 -2.570 10.122 1.00 0.00 C ATOM 969 CG HIS A 65 -0.123 -3.282 9.155 1.00 0.00 C ATOM 970 ND1 HIS A 65 1.044 -3.914 9.561 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.201 -3.474 7.798 1.00 0.00 C ATOM 972 CE1 HIS A 65 1.615 -4.454 8.469 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.896 -4.213 7.371 1.00 0.00 N ATOM 0 H HIS A 65 -2.144 -1.048 11.733 1.00 0.00 H new ATOM 0 HA HIS A 65 0.611 -1.461 10.998 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.223 -3.204 10.987 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.989 -2.364 9.653 1.00 0.00 H new ATOM 0 HD1 HIS A 65 1.404 -3.961 10.514 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.992 -3.108 7.161 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.539 -5.012 8.480 1.00 0.00 H new ATOM 982 N PHE A 66 -1.134 0.533 9.111 1.00 0.00 N ATOM 983 CA PHE A 66 -1.020 1.432 7.923 1.00 0.00 C ATOM 984 C PHE A 66 -0.255 2.709 8.288 1.00 0.00 C ATOM 985 O PHE A 66 -0.165 3.630 7.500 1.00 0.00 O ATOM 986 CB PHE A 66 -2.421 1.799 7.433 1.00 0.00 C ATOM 987 CG PHE A 66 -3.108 0.561 6.908 1.00 0.00 C ATOM 988 CD1 PHE A 66 -2.940 0.181 5.571 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.914 -0.208 7.757 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.576 -0.967 5.084 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.550 -1.356 7.270 1.00 0.00 C ATOM 992 CZ PHE A 66 -4.381 -1.735 5.933 1.00 0.00 C ATOM 0 H PHE A 66 -1.970 0.667 9.680 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.475 0.911 7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.001 2.233 8.247 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.358 2.554 6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.320 0.774 4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.045 0.085 8.788 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.445 -1.260 4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.171 -1.949 7.925 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.872 -2.620 5.557 1.00 0.00 H new ATOM 1002 N ARG A 67 0.297 2.776 9.467 1.00 0.00 N ATOM 1003 CA ARG A 67 1.051 4.002 9.863 1.00 0.00 C ATOM 1004 C ARG A 67 2.190 4.259 8.871 1.00 0.00 C ATOM 1005 O ARG A 67 2.500 5.391 8.557 1.00 0.00 O ATOM 1006 CB ARG A 67 1.631 3.812 11.267 1.00 0.00 C ATOM 1007 CG ARG A 67 0.495 3.674 12.279 1.00 0.00 C ATOM 1008 CD ARG A 67 -0.043 5.058 12.657 1.00 0.00 C ATOM 1009 NE ARG A 67 -0.999 4.923 13.792 1.00 0.00 N ATOM 1010 CZ ARG A 67 -0.554 4.884 15.019 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -1.392 4.768 16.013 1.00 0.00 N ATOM 1012 NH2 ARG A 67 0.728 4.963 15.251 1.00 0.00 N ATOM 0 H ARG A 67 0.260 2.040 10.172 1.00 0.00 H new ATOM 0 HA ARG A 67 0.373 4.856 9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.264 2.925 11.293 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.262 4.661 11.528 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.306 3.066 11.858 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.852 3.158 13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.780 5.717 12.936 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.540 5.514 11.801 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.001 4.861 13.611 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.394 4.708 15.831 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.045 4.737 16.972 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.382 5.055 14.474 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.076 4.933 16.209 1.00 0.00 H new ATOM 1026 N SER A 68 2.816 3.223 8.376 1.00 0.00 N ATOM 1027 CA SER A 68 3.935 3.425 7.407 1.00 0.00 C ATOM 1028 C SER A 68 3.768 2.478 6.216 1.00 0.00 C ATOM 1029 O SER A 68 3.230 1.395 6.339 1.00 0.00 O ATOM 1030 CB SER A 68 5.266 3.136 8.102 1.00 0.00 C ATOM 1031 OG SER A 68 5.327 1.758 8.444 1.00 0.00 O ATOM 0 H SER A 68 2.603 2.251 8.599 1.00 0.00 H new ATOM 0 HA SER A 68 3.922 4.455 7.052 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.096 3.397 7.446 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.363 3.750 8.998 1.00 0.00 H new ATOM 0 HG SER A 68 6.180 1.569 8.888 1.00 0.00 H new ATOM 1037 N ILE A 69 4.231 2.879 5.062 1.00 0.00 N ATOM 1038 CA ILE A 69 4.110 2.015 3.860 1.00 0.00 C ATOM 1039 C ILE A 69 4.963 0.756 4.036 1.00 0.00 C ATOM 1040 O ILE A 69 4.599 -0.320 3.603 1.00 0.00 O ATOM 1041 CB ILE A 69 4.597 2.796 2.642 1.00 0.00 C ATOM 1042 CG1 ILE A 69 3.756 4.055 2.472 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.453 1.937 1.399 1.00 0.00 C ATOM 1044 CD1 ILE A 69 4.343 4.917 1.353 1.00 0.00 C ATOM 0 H ILE A 69 4.691 3.776 4.903 1.00 0.00 H new ATOM 0 HA ILE A 69 3.070 1.721 3.723 1.00 0.00 H new ATOM 0 HB ILE A 69 5.643 3.068 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.726 3.787 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.734 4.618 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.801 2.494 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.049 1.031 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.406 1.667 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.740 5.817 1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.365 5.196 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.342 4.353 0.420 1.00 0.00 H new ATOM 1056 N ARG A 70 6.104 0.883 4.660 1.00 0.00 N ATOM 1057 CA ARG A 70 6.989 -0.301 4.852 1.00 0.00 C ATOM 1058 C ARG A 70 6.264 -1.365 5.678 1.00 0.00 C ATOM 1059 O ARG A 70 6.400 -2.549 5.436 1.00 0.00 O ATOM 1060 CB ARG A 70 8.258 0.131 5.588 1.00 0.00 C ATOM 1061 CG ARG A 70 9.047 1.110 4.718 1.00 0.00 C ATOM 1062 CD ARG A 70 10.367 1.458 5.408 1.00 0.00 C ATOM 1063 NE ARG A 70 10.087 2.028 6.756 1.00 0.00 N ATOM 1064 CZ ARG A 70 11.032 2.636 7.417 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.785 3.138 8.596 1.00 0.00 N ATOM 1066 NH2 ARG A 70 12.225 2.743 6.899 1.00 0.00 N ATOM 0 H ARG A 70 6.461 1.757 5.045 1.00 0.00 H new ATOM 0 HA ARG A 70 7.248 -0.717 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.998 0.600 6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.871 -0.740 5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.241 0.669 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.463 2.015 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.988 0.567 5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.926 2.175 4.807 1.00 0.00 H new ATOM 0 HE ARG A 70 9.155 1.942 7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.852 3.055 9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.525 3.614 9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.418 2.351 5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.965 3.219 7.416 1.00 0.00 H new ATOM 1080 N SER A 71 5.496 -0.961 6.651 1.00 0.00 N ATOM 1081 CA SER A 71 4.771 -1.957 7.482 1.00 0.00 C ATOM 1082 C SER A 71 3.818 -2.757 6.594 1.00 0.00 C ATOM 1083 O SER A 71 3.621 -3.940 6.785 1.00 0.00 O ATOM 1084 CB SER A 71 3.975 -1.222 8.559 1.00 0.00 C ATOM 1085 OG SER A 71 2.962 -0.441 7.941 1.00 0.00 O ATOM 0 H SER A 71 5.340 0.014 6.905 1.00 0.00 H new ATOM 0 HA SER A 71 5.481 -2.637 7.953 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.529 -1.937 9.250 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.636 -0.584 9.145 1.00 0.00 H new ATOM 0 HG SER A 71 2.187 -0.379 8.538 1.00 0.00 H new ATOM 1091 N ILE A 72 3.236 -2.124 5.614 1.00 0.00 N ATOM 1092 CA ILE A 72 2.310 -2.844 4.707 1.00 0.00 C ATOM 1093 C ILE A 72 3.076 -3.957 3.995 1.00 0.00 C ATOM 1094 O ILE A 72 2.571 -5.043 3.791 1.00 0.00 O ATOM 1095 CB ILE A 72 1.758 -1.860 3.679 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.013 -0.734 4.399 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.798 -2.588 2.746 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.579 0.325 3.384 1.00 0.00 C ATOM 0 H ILE A 72 3.365 -1.134 5.404 1.00 0.00 H new ATOM 0 HA ILE A 72 1.487 -3.276 5.276 1.00 0.00 H new ATOM 0 HB ILE A 72 2.580 -1.439 3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.142 -1.134 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.656 -0.285 5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.403 -1.887 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.328 -3.391 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.024 -3.008 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.049 1.126 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.458 0.733 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.079 -0.129 2.643 1.00 0.00 H new ATOM 1110 N ASP A 73 4.295 -3.690 3.616 1.00 0.00 N ATOM 1111 CA ASP A 73 5.105 -4.725 2.917 1.00 0.00 C ATOM 1112 C ASP A 73 5.249 -5.958 3.812 1.00 0.00 C ATOM 1113 O ASP A 73 5.241 -7.079 3.343 1.00 0.00 O ATOM 1114 CB ASP A 73 6.493 -4.161 2.607 1.00 0.00 C ATOM 1115 CG ASP A 73 7.232 -5.112 1.663 1.00 0.00 C ATOM 1116 OD1 ASP A 73 6.616 -6.063 1.212 1.00 0.00 O ATOM 1117 OD2 ASP A 73 8.400 -4.872 1.408 1.00 0.00 O ATOM 0 H ASP A 73 4.766 -2.797 3.761 1.00 0.00 H new ATOM 0 HA ASP A 73 4.607 -5.006 1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.403 -3.176 2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.060 -4.034 3.529 1.00 0.00 H new ATOM 1122 N ALA A 74 5.390 -5.763 5.095 1.00 0.00 N ATOM 1123 CA ALA A 74 5.546 -6.930 6.009 1.00 0.00 C ATOM 1124 C ALA A 74 4.277 -7.779 5.988 1.00 0.00 C ATOM 1125 O ALA A 74 4.332 -8.987 5.872 1.00 0.00 O ATOM 1126 CB ALA A 74 5.806 -6.434 7.432 1.00 0.00 C ATOM 0 H ALA A 74 5.404 -4.849 5.548 1.00 0.00 H new ATOM 0 HA ALA A 74 6.388 -7.536 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.920 -7.288 8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.717 -5.836 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.966 -5.824 7.764 1.00 0.00 H new ATOM 1132 N PHE A 75 3.132 -7.165 6.092 1.00 0.00 N ATOM 1133 CA PHE A 75 1.870 -7.956 6.066 1.00 0.00 C ATOM 1134 C PHE A 75 1.705 -8.587 4.686 1.00 0.00 C ATOM 1135 O PHE A 75 1.371 -9.748 4.555 1.00 0.00 O ATOM 1136 CB PHE A 75 0.677 -7.049 6.356 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.582 -7.879 6.414 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -1.365 -8.047 5.266 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -0.968 -8.483 7.618 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -2.533 -8.817 5.321 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -2.135 -9.253 7.672 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.918 -9.421 6.523 1.00 0.00 C ATOM 0 H PHE A 75 3.015 -6.157 6.193 1.00 0.00 H new ATOM 0 HA PHE A 75 1.916 -8.734 6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.825 -6.526 7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.588 -6.288 5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.068 -7.582 4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.365 -8.354 8.504 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.137 -8.945 4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.432 -9.718 8.600 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.818 -10.016 6.565 1.00 0.00 H new ATOM 1152 N VAL A 76 1.938 -7.826 3.655 1.00 0.00 N ATOM 1153 CA VAL A 76 1.799 -8.366 2.281 1.00 0.00 C ATOM 1154 C VAL A 76 2.808 -9.498 2.071 1.00 0.00 C ATOM 1155 O VAL A 76 2.497 -10.517 1.489 1.00 0.00 O ATOM 1156 CB VAL A 76 2.069 -7.247 1.278 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.163 -7.837 -0.124 1.00 0.00 C ATOM 1158 CG2 VAL A 76 0.925 -6.232 1.329 1.00 0.00 C ATOM 0 H VAL A 76 2.220 -6.847 3.708 1.00 0.00 H new ATOM 0 HA VAL A 76 0.791 -8.754 2.137 1.00 0.00 H new ATOM 0 HB VAL A 76 3.007 -6.751 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.356 -7.040 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.976 -8.562 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.224 -8.332 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.116 -5.432 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.013 -6.728 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.856 -5.812 2.332 1.00 0.00 H new ATOM 1168 N VAL A 77 4.015 -9.327 2.541 1.00 0.00 N ATOM 1169 CA VAL A 77 5.038 -10.389 2.368 1.00 0.00 C ATOM 1170 C VAL A 77 4.584 -11.662 3.083 1.00 0.00 C ATOM 1171 O VAL A 77 4.734 -12.758 2.577 1.00 0.00 O ATOM 1172 CB VAL A 77 6.355 -9.908 2.972 1.00 0.00 C ATOM 1173 CG1 VAL A 77 7.342 -11.069 3.020 1.00 0.00 C ATOM 1174 CG2 VAL A 77 6.932 -8.784 2.110 1.00 0.00 C ATOM 0 H VAL A 77 4.333 -8.495 3.038 1.00 0.00 H new ATOM 0 HA VAL A 77 5.171 -10.603 1.308 1.00 0.00 H new ATOM 0 HB VAL A 77 6.179 -9.536 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.284 -10.729 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.931 -11.871 3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.518 -11.439 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.872 -8.441 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.110 -9.154 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.226 -7.955 2.073 1.00 0.00 H new ATOM 1184 N GLY A 78 4.035 -11.528 4.258 1.00 0.00 N ATOM 1185 CA GLY A 78 3.578 -12.730 5.008 1.00 0.00 C ATOM 1186 C GLY A 78 2.542 -13.501 4.185 1.00 0.00 C ATOM 1187 O GLY A 78 2.498 -14.715 4.211 1.00 0.00 O ATOM 0 H GLY A 78 3.883 -10.637 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.429 -13.374 5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.146 -12.430 5.963 1.00 0.00 H new ATOM 1191 N ALA A 79 1.703 -12.811 3.461 1.00 0.00 N ATOM 1192 CA ALA A 79 0.671 -13.518 2.650 1.00 0.00 C ATOM 1193 C ALA A 79 1.213 -13.811 1.251 1.00 0.00 C ATOM 1194 O ALA A 79 1.133 -14.923 0.765 1.00 0.00 O ATOM 1195 CB ALA A 79 -0.577 -12.638 2.539 1.00 0.00 C ATOM 0 H ALA A 79 1.687 -11.793 3.396 1.00 0.00 H new ATOM 0 HA ALA A 79 0.417 -14.459 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.333 -13.152 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.971 -12.438 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.316 -11.696 2.056 1.00 0.00 H new ATOM 1201 N THR A 80 1.762 -12.827 0.600 1.00 0.00 N ATOM 1202 CA THR A 80 2.307 -13.051 -0.768 1.00 0.00 C ATOM 1203 C THR A 80 3.555 -12.187 -0.971 1.00 0.00 C ATOM 1204 O THR A 80 3.710 -11.152 -0.355 1.00 0.00 O ATOM 1205 CB THR A 80 1.244 -12.679 -1.806 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.656 -13.131 -3.088 1.00 0.00 O ATOM 1207 CG2 THR A 80 1.052 -11.162 -1.830 1.00 0.00 C ATOM 0 H THR A 80 1.858 -11.876 0.955 1.00 0.00 H new ATOM 0 HA THR A 80 2.576 -14.101 -0.887 1.00 0.00 H new ATOM 0 HB THR A 80 0.299 -13.153 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.914 -13.040 -3.721 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.295 -10.903 -2.570 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.730 -10.820 -0.846 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.994 -10.680 -2.091 1.00 0.00 H new ATOM 1215 N THR A 81 4.445 -12.606 -1.830 1.00 0.00 N ATOM 1216 CA THR A 81 5.681 -11.811 -2.070 1.00 0.00 C ATOM 1217 C THR A 81 5.944 -11.708 -3.578 1.00 0.00 C ATOM 1218 O THR A 81 6.646 -12.521 -4.145 1.00 0.00 O ATOM 1219 CB THR A 81 6.862 -12.510 -1.393 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.079 -11.983 -1.904 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.795 -14.011 -1.671 1.00 0.00 C ATOM 0 H THR A 81 4.368 -13.465 -2.375 1.00 0.00 H new ATOM 0 HA THR A 81 5.558 -10.809 -1.659 1.00 0.00 H new ATOM 0 HB THR A 81 6.818 -12.341 -0.317 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.649 -11.696 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.636 -14.508 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.862 -14.413 -1.277 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.839 -14.184 -2.746 1.00 0.00 H new