USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 11 THR OG1 : rot 180:sc= 0.692 USER MOD Set 1.2: A 28 GLN : amide:sc= 1.09 X(o=1.8,f=1.9) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 157:sc= -0.254 (180deg=-1.65) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00473 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -0.105 (180deg=-0.264) USER MOD Single : A 43 SER OG : rot 73:sc= 1.19 USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.00292) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.746 USER MOD Single : A 57 TYR OH : rot -78:sc= 1.22 USER MOD Single : A 59 SER OG : rot 16:sc= -0.133 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -154:sc= -0.18 (180deg=-1.53!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 74 GLN : amide:sc= -0.918 K(o=-0.92,f=-6.4!) USER MOD Single : A 77 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= 0.0216 F(o=-0.65,f=0.022) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.517 5.336 -13.113 1.00 0.00 N ATOM 67 CA GLN A 8 1.035 4.020 -13.470 1.00 0.00 C ATOM 68 C GLN A 8 0.989 3.075 -12.274 1.00 0.00 C ATOM 69 O GLN A 8 0.880 3.511 -11.128 1.00 0.00 O ATOM 70 CB GLN A 8 2.469 4.137 -13.988 1.00 0.00 C ATOM 71 CG GLN A 8 3.474 4.527 -12.916 1.00 0.00 C ATOM 72 CD GLN A 8 4.909 4.368 -13.375 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.380 3.253 -13.605 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.615 5.484 -13.512 1.00 0.00 N ATOM 0 HA GLN A 8 0.404 3.610 -14.258 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.768 3.184 -14.424 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.498 4.877 -14.788 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.303 5.563 -12.623 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.310 3.914 -12.030 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.186 6.387 -13.311 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.587 5.438 -13.819 1.00 0.00 H new ATOM 83 N LEU A 9 1.073 1.778 -12.549 1.00 0.00 N ATOM 84 CA LEU A 9 1.041 0.769 -11.496 1.00 0.00 C ATOM 85 C LEU A 9 2.426 0.569 -10.890 1.00 0.00 C ATOM 86 O LEU A 9 3.436 0.614 -11.594 1.00 0.00 O ATOM 87 CB LEU A 9 0.518 -0.558 -12.049 1.00 0.00 C ATOM 88 CG LEU A 9 -0.995 -0.767 -11.974 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.663 -0.298 -13.257 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.319 -2.229 -11.706 1.00 0.00 C ATOM 0 H LEU A 9 1.164 1.400 -13.492 1.00 0.00 H new ATOM 0 HA LEU A 9 0.369 1.120 -10.713 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.825 -0.640 -13.092 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.004 -1.370 -11.509 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.384 -0.172 -11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.739 -0.455 -13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.460 0.762 -13.406 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.269 -0.865 -14.100 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.400 -2.359 -11.656 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.917 -2.844 -12.511 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.873 -2.533 -10.759 1.00 0.00 H new ATOM 102 N LEU A 10 2.468 0.348 -9.581 1.00 0.00 N ATOM 103 CA LEU A 10 3.730 0.139 -8.880 1.00 0.00 C ATOM 104 C LEU A 10 3.780 -1.250 -8.251 1.00 0.00 C ATOM 105 O LEU A 10 2.822 -1.691 -7.615 1.00 0.00 O ATOM 106 CB LEU A 10 3.920 1.207 -7.801 1.00 0.00 C ATOM 107 CG LEU A 10 3.269 2.563 -8.078 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.527 3.523 -6.927 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.785 3.145 -9.386 1.00 0.00 C ATOM 0 H LEU A 10 1.642 0.309 -8.983 1.00 0.00 H new ATOM 0 HA LEU A 10 4.538 0.218 -9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.524 0.821 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.989 1.362 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 10 2.193 2.417 -8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.057 4.483 -7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.109 3.111 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.601 3.665 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.311 4.110 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.865 3.277 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.549 2.465 -10.205 1.00 0.00 H new ATOM 121 N THR A 11 4.905 -1.935 -8.430 1.00 0.00 N ATOM 122 CA THR A 11 5.081 -3.273 -7.879 1.00 0.00 C ATOM 123 C THR A 11 5.635 -3.215 -6.460 1.00 0.00 C ATOM 124 O THR A 11 6.847 -3.126 -6.259 1.00 0.00 O ATOM 125 CB THR A 11 6.026 -4.120 -8.753 1.00 0.00 C ATOM 126 OG1 THR A 11 5.657 -4.001 -10.131 1.00 0.00 O ATOM 127 CG2 THR A 11 5.982 -5.582 -8.336 1.00 0.00 C ATOM 0 H THR A 11 5.708 -1.585 -8.952 1.00 0.00 H new ATOM 0 HA THR A 11 4.096 -3.740 -7.862 1.00 0.00 H new ATOM 0 HB THR A 11 7.042 -3.749 -8.616 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.263 -4.541 -10.680 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.657 -6.161 -8.967 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.291 -5.673 -7.295 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.966 -5.962 -8.447 1.00 0.00 H new ATOM 135 N LEU A 12 4.741 -3.267 -5.479 1.00 0.00 N ATOM 136 CA LEU A 12 5.141 -3.221 -4.077 1.00 0.00 C ATOM 137 C LEU A 12 4.765 -4.514 -3.361 1.00 0.00 C ATOM 138 O LEU A 12 3.886 -5.251 -3.807 1.00 0.00 O ATOM 139 CB LEU A 12 4.486 -2.029 -3.377 1.00 0.00 C ATOM 140 CG LEU A 12 4.577 -0.689 -4.109 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.552 0.290 -3.558 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.981 -0.114 -3.995 1.00 0.00 C ATOM 0 H LEU A 12 3.735 -3.341 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 12 6.224 -3.107 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.433 -2.261 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.942 -1.915 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 12 4.359 -0.857 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.631 1.238 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.550 -0.119 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.739 0.453 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.028 0.839 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.227 0.039 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.695 -0.808 -4.437 1.00 0.00 H new ATOM 154 N LYS A 13 5.436 -4.784 -2.246 1.00 0.00 N ATOM 155 CA LYS A 13 5.171 -5.986 -1.464 1.00 0.00 C ATOM 156 C LYS A 13 4.435 -5.644 -0.173 1.00 0.00 C ATOM 157 O LYS A 13 4.917 -4.851 0.636 1.00 0.00 O ATOM 158 CB LYS A 13 6.481 -6.708 -1.141 1.00 0.00 C ATOM 159 CG LYS A 13 7.285 -7.090 -2.372 1.00 0.00 C ATOM 160 CD LYS A 13 8.213 -8.259 -2.091 1.00 0.00 C ATOM 161 CE LYS A 13 7.479 -9.588 -2.180 1.00 0.00 C ATOM 162 NZ LYS A 13 8.332 -10.724 -1.732 1.00 0.00 N ATOM 0 H LYS A 13 6.168 -4.186 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 13 4.538 -6.644 -2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.091 -6.068 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.258 -7.609 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.607 -7.350 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.869 -6.233 -2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.038 -8.249 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.648 -8.149 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.578 -9.547 -1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.159 -9.758 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.796 -11.612 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.180 -10.779 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.617 -10.575 -0.743 1.00 0.00 H new ATOM 176 N ILE A 14 3.266 -6.249 0.014 1.00 0.00 N ATOM 177 CA ILE A 14 2.466 -6.010 1.209 1.00 0.00 C ATOM 178 C ILE A 14 2.946 -6.870 2.373 1.00 0.00 C ATOM 179 O ILE A 14 2.886 -8.098 2.318 1.00 0.00 O ATOM 180 CB ILE A 14 0.974 -6.297 0.953 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.429 -5.361 -0.127 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.178 -6.149 2.242 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.588 -5.901 -1.531 1.00 0.00 C ATOM 0 H ILE A 14 2.853 -6.907 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 14 2.587 -4.957 1.465 1.00 0.00 H new ATOM 0 HB ILE A 14 0.872 -7.324 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.628 -5.175 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.940 -4.401 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.874 -6.355 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.553 -6.854 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.284 -5.132 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.180 -5.185 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.645 -6.061 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.053 -6.847 -1.620 1.00 0.00 H new ATOM 195 N LYS A 15 3.420 -6.215 3.428 1.00 0.00 N ATOM 196 CA LYS A 15 3.908 -6.918 4.608 1.00 0.00 C ATOM 197 C LYS A 15 3.202 -6.423 5.867 1.00 0.00 C ATOM 198 O LYS A 15 3.196 -5.226 6.156 1.00 0.00 O ATOM 199 CB LYS A 15 5.420 -6.729 4.751 1.00 0.00 C ATOM 200 CG LYS A 15 5.986 -7.303 6.039 1.00 0.00 C ATOM 201 CD LYS A 15 7.420 -6.855 6.266 1.00 0.00 C ATOM 202 CE LYS A 15 7.495 -5.371 6.590 1.00 0.00 C ATOM 203 NZ LYS A 15 8.782 -5.011 7.246 1.00 0.00 N ATOM 0 H LYS A 15 3.476 -5.198 3.489 1.00 0.00 H new ATOM 0 HA LYS A 15 3.691 -7.979 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.918 -7.200 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.651 -5.665 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.368 -6.989 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.945 -8.392 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.857 -7.429 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.013 -7.065 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.381 -4.793 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.666 -5.100 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.794 -3.991 7.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.880 -5.544 8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.572 -5.246 6.612 1.00 0.00 H new ATOM 217 N CYS A 16 2.610 -7.351 6.611 1.00 0.00 N ATOM 218 CA CYS A 16 1.901 -7.008 7.839 1.00 0.00 C ATOM 219 C CYS A 16 2.881 -6.613 8.939 1.00 0.00 C ATOM 220 O CYS A 16 3.994 -7.133 9.009 1.00 0.00 O ATOM 221 CB CYS A 16 1.043 -8.186 8.302 1.00 0.00 C ATOM 222 SG CYS A 16 -0.557 -8.306 7.468 1.00 0.00 S ATOM 0 H CYS A 16 2.607 -8.346 6.386 1.00 0.00 H new ATOM 0 HA CYS A 16 1.254 -6.156 7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.596 -9.111 8.139 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.876 -8.100 9.376 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.209 -9.334 7.925 1.00 0.00 H new ATOM 340 N ILE A 24 4.565 -12.345 3.199 1.00 0.00 N ATOM 341 CA ILE A 24 4.496 -11.125 2.404 1.00 0.00 C ATOM 342 C ILE A 24 3.947 -11.408 1.010 1.00 0.00 C ATOM 343 O ILE A 24 4.350 -12.370 0.356 1.00 0.00 O ATOM 344 CB ILE A 24 5.878 -10.458 2.274 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.463 -10.172 3.659 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.772 -9.175 1.463 1.00 0.00 C ATOM 347 CD1 ILE A 24 7.934 -9.824 3.633 1.00 0.00 C ATOM 0 HA ILE A 24 3.822 -10.446 2.926 1.00 0.00 H new ATOM 0 HB ILE A 24 6.547 -11.141 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.911 -9.350 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.316 -11.045 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.757 -8.715 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.393 -9.404 0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.090 -8.485 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.281 -9.634 4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.497 -10.654 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.086 -8.932 3.025 1.00 0.00 H new ATOM 359 N LEU A 25 3.027 -10.562 0.560 1.00 0.00 N ATOM 360 CA LEU A 25 2.423 -10.719 -0.759 1.00 0.00 C ATOM 361 C LEU A 25 2.889 -9.617 -1.706 1.00 0.00 C ATOM 362 O LEU A 25 3.591 -8.692 -1.299 1.00 0.00 O ATOM 363 CB LEU A 25 0.897 -10.701 -0.649 1.00 0.00 C ATOM 364 CG LEU A 25 0.306 -11.378 0.588 1.00 0.00 C ATOM 365 CD1 LEU A 25 1.004 -12.702 0.857 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.410 -10.462 1.799 1.00 0.00 C ATOM 0 H LEU A 25 2.683 -9.760 1.089 1.00 0.00 H new ATOM 0 HA LEU A 25 2.740 -11.680 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.564 -9.663 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.483 -11.182 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.749 -11.579 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.570 -13.169 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.877 -13.361 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.067 -12.526 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.016 -10.961 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.458 -10.229 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.137 -9.539 1.605 1.00 0.00 H new ATOM 378 N GLU A 26 2.491 -9.724 -2.970 1.00 0.00 N ATOM 379 CA GLU A 26 2.868 -8.735 -3.974 1.00 0.00 C ATOM 380 C GLU A 26 1.659 -8.317 -4.806 1.00 0.00 C ATOM 381 O GLU A 26 1.047 -9.138 -5.490 1.00 0.00 O ATOM 382 CB GLU A 26 3.961 -9.294 -4.887 1.00 0.00 C ATOM 383 CG GLU A 26 4.337 -8.361 -6.026 1.00 0.00 C ATOM 384 CD GLU A 26 4.872 -9.104 -7.235 1.00 0.00 C ATOM 385 OE1 GLU A 26 5.562 -10.127 -7.045 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.601 -8.662 -8.371 1.00 0.00 O ATOM 0 H GLU A 26 1.909 -10.484 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 26 3.252 -7.856 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.849 -9.503 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.625 -10.244 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.462 -7.780 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.088 -7.652 -5.678 1.00 0.00 H new ATOM 393 N LYS A 27 1.319 -7.034 -4.742 1.00 0.00 N ATOM 394 CA LYS A 27 0.184 -6.504 -5.489 1.00 0.00 C ATOM 395 C LYS A 27 0.592 -5.281 -6.303 1.00 0.00 C ATOM 396 O LYS A 27 1.494 -4.539 -5.915 1.00 0.00 O ATOM 397 CB LYS A 27 -0.955 -6.138 -4.534 1.00 0.00 C ATOM 398 CG LYS A 27 -2.333 -6.243 -5.163 1.00 0.00 C ATOM 399 CD LYS A 27 -3.399 -6.550 -4.124 1.00 0.00 C ATOM 400 CE LYS A 27 -4.798 -6.431 -4.709 1.00 0.00 C ATOM 401 NZ LYS A 27 -5.137 -7.594 -5.576 1.00 0.00 N ATOM 0 H LYS A 27 1.814 -6.341 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.160 -7.277 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.912 -6.792 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.805 -5.119 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.575 -5.308 -5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.328 -7.025 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.250 -7.558 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.296 -5.865 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.525 -6.357 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.872 -5.511 -5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.098 -7.476 -5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.459 -7.650 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.091 -8.469 -5.016 1.00 0.00 H new ATOM 415 N GLN A 28 -0.079 -5.076 -7.432 1.00 0.00 N ATOM 416 CA GLN A 28 0.214 -3.941 -8.299 1.00 0.00 C ATOM 417 C GLN A 28 -0.970 -2.982 -8.360 1.00 0.00 C ATOM 418 O GLN A 28 -2.040 -3.330 -8.860 1.00 0.00 O ATOM 419 CB GLN A 28 0.566 -4.426 -9.707 1.00 0.00 C ATOM 420 CG GLN A 28 1.975 -4.983 -9.825 1.00 0.00 C ATOM 421 CD GLN A 28 2.412 -5.166 -11.265 1.00 0.00 C ATOM 422 OE1 GLN A 28 1.734 -5.828 -12.052 1.00 0.00 O ATOM 423 NE2 GLN A 28 3.549 -4.579 -11.618 1.00 0.00 N ATOM 0 H GLN A 28 -0.829 -5.681 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 28 1.068 -3.408 -7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.146 -5.196 -10.006 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.452 -3.598 -10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.670 -4.312 -9.321 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.027 -5.942 -9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.079 -4.040 -10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.893 -4.667 -12.574 1.00 0.00 H new ATOM 432 N LEU A 29 -0.772 -1.773 -7.846 1.00 0.00 N ATOM 433 CA LEU A 29 -1.823 -0.762 -7.841 1.00 0.00 C ATOM 434 C LEU A 29 -1.329 0.541 -8.461 1.00 0.00 C ATOM 435 O LEU A 29 -0.156 0.900 -8.358 1.00 0.00 O ATOM 436 CB LEU A 29 -2.308 -0.509 -6.412 1.00 0.00 C ATOM 437 CG LEU A 29 -2.820 -1.733 -5.651 1.00 0.00 C ATOM 438 CD1 LEU A 29 -4.038 -2.322 -6.344 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.721 -2.777 -5.519 1.00 0.00 C ATOM 0 H LEU A 29 0.107 -1.469 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.654 -1.135 -8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.488 -0.069 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.106 0.233 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.115 -1.417 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.388 -3.192 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.830 -1.575 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.770 -2.623 -7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.103 -3.641 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.394 -3.089 -6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.877 -2.351 -4.976 1.00 0.00 H new ATOM 451 N PRO A 30 -2.244 1.269 -9.118 1.00 0.00 N ATOM 452 CA PRO A 30 -1.926 2.545 -9.764 1.00 0.00 C ATOM 453 C PRO A 30 -1.630 3.649 -8.755 1.00 0.00 C ATOM 454 O PRO A 30 -2.483 4.001 -7.939 1.00 0.00 O ATOM 455 CB PRO A 30 -3.196 2.869 -10.555 1.00 0.00 C ATOM 456 CG PRO A 30 -4.284 2.153 -9.833 1.00 0.00 C ATOM 457 CD PRO A 30 -3.661 0.901 -9.280 1.00 0.00 C ATOM 0 HA PRO A 30 -1.030 2.477 -10.380 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.381 3.943 -10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.116 2.530 -11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.694 2.771 -9.034 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.108 1.914 -10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.113 0.613 -8.331 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.782 0.058 -9.960 1.00 0.00 H new ATOM 465 N ASP A 31 -0.419 4.191 -8.815 1.00 0.00 N ATOM 466 CA ASP A 31 -0.012 5.256 -7.906 1.00 0.00 C ATOM 467 C ASP A 31 -1.132 6.277 -7.730 1.00 0.00 C ATOM 468 O ASP A 31 -1.184 6.989 -6.727 1.00 0.00 O ATOM 469 CB ASP A 31 1.248 5.947 -8.428 1.00 0.00 C ATOM 470 CG ASP A 31 2.110 6.501 -7.311 1.00 0.00 C ATOM 471 OD1 ASP A 31 1.731 6.335 -6.132 1.00 0.00 O ATOM 472 OD2 ASP A 31 3.162 7.101 -7.614 1.00 0.00 O ATOM 0 H ASP A 31 0.298 3.910 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 31 0.204 4.810 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.831 5.237 -9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.963 6.757 -9.099 1.00 0.00 H new ATOM 477 N SER A 32 -2.024 6.345 -8.713 1.00 0.00 N ATOM 478 CA SER A 32 -3.140 7.283 -8.669 1.00 0.00 C ATOM 479 C SER A 32 -4.096 6.936 -7.532 1.00 0.00 C ATOM 480 O SER A 32 -4.548 7.814 -6.798 1.00 0.00 O ATOM 481 CB SER A 32 -3.891 7.277 -10.002 1.00 0.00 C ATOM 482 OG SER A 32 -4.710 8.426 -10.131 1.00 0.00 O ATOM 0 H SER A 32 -1.996 5.762 -9.549 1.00 0.00 H new ATOM 0 HA SER A 32 -2.738 8.280 -8.491 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.177 7.241 -10.825 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.505 6.379 -10.073 1.00 0.00 H new ATOM 0 HG SER A 32 -5.178 8.399 -10.992 1.00 0.00 H new ATOM 488 N MET A 33 -4.400 5.650 -7.394 1.00 0.00 N ATOM 489 CA MET A 33 -5.302 5.187 -6.346 1.00 0.00 C ATOM 490 C MET A 33 -5.022 5.906 -5.030 1.00 0.00 C ATOM 491 O MET A 33 -3.866 6.100 -4.651 1.00 0.00 O ATOM 492 CB MET A 33 -5.162 3.675 -6.155 1.00 0.00 C ATOM 493 CG MET A 33 -6.441 3.001 -5.683 1.00 0.00 C ATOM 494 SD MET A 33 -6.591 1.305 -6.274 1.00 0.00 S ATOM 495 CE MET A 33 -5.950 0.399 -4.869 1.00 0.00 C ATOM 0 H MET A 33 -4.035 4.910 -7.994 1.00 0.00 H new ATOM 0 HA MET A 33 -6.323 5.414 -6.653 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.851 3.225 -7.098 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.370 3.480 -5.432 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.469 3.006 -4.593 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.299 3.578 -6.026 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.335 -0.621 -4.887 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.861 0.377 -4.916 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.263 0.888 -3.947 1.00 0.00 H new ATOM 505 N THR A 34 -6.086 6.299 -4.337 1.00 0.00 N ATOM 506 CA THR A 34 -5.954 6.998 -3.065 1.00 0.00 C ATOM 507 C THR A 34 -5.733 6.017 -1.919 1.00 0.00 C ATOM 508 O THR A 34 -6.326 4.939 -1.889 1.00 0.00 O ATOM 509 CB THR A 34 -7.199 7.852 -2.761 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.384 7.064 -2.918 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.263 9.062 -3.682 1.00 0.00 C ATOM 0 H THR A 34 -7.049 6.145 -4.636 1.00 0.00 H new ATOM 0 HA THR A 34 -5.086 7.652 -3.153 1.00 0.00 H new ATOM 0 HB THR A 34 -7.130 8.202 -1.731 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.171 7.614 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.151 9.650 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.373 9.675 -3.539 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.311 8.728 -4.719 1.00 0.00 H new ATOM 519 N VAL A 35 -4.876 6.397 -0.977 1.00 0.00 N ATOM 520 CA VAL A 35 -4.578 5.551 0.172 1.00 0.00 C ATOM 521 C VAL A 35 -5.847 4.921 0.734 1.00 0.00 C ATOM 522 O VAL A 35 -5.832 3.780 1.195 1.00 0.00 O ATOM 523 CB VAL A 35 -3.876 6.348 1.288 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.828 5.537 2.574 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.477 6.755 0.853 1.00 0.00 C ATOM 0 H VAL A 35 -4.376 7.286 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.910 4.764 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.450 7.255 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.329 6.116 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.843 5.301 2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.278 4.612 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.996 7.317 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.890 5.863 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.540 7.377 -0.040 1.00 0.00 H new ATOM 535 N GLN A 36 -6.943 5.671 0.691 1.00 0.00 N ATOM 536 CA GLN A 36 -8.221 5.185 1.196 1.00 0.00 C ATOM 537 C GLN A 36 -8.613 3.877 0.517 1.00 0.00 C ATOM 538 O GLN A 36 -8.841 2.864 1.179 1.00 0.00 O ATOM 539 CB GLN A 36 -9.313 6.234 0.977 1.00 0.00 C ATOM 540 CG GLN A 36 -10.522 6.051 1.880 1.00 0.00 C ATOM 541 CD GLN A 36 -11.566 7.133 1.683 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.556 8.154 2.371 1.00 0.00 O ATOM 543 NE2 GLN A 36 -12.475 6.914 0.740 1.00 0.00 N ATOM 0 H GLN A 36 -6.972 6.617 0.312 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.114 5.001 2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.892 7.225 1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.638 6.197 -0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.972 5.077 1.686 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.197 6.050 2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.446 6.053 0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.203 7.606 0.562 1.00 0.00 H new ATOM 552 N LYS A 37 -8.690 3.904 -0.809 1.00 0.00 N ATOM 553 CA LYS A 37 -9.053 2.721 -1.580 1.00 0.00 C ATOM 554 C LYS A 37 -8.211 1.520 -1.162 1.00 0.00 C ATOM 555 O LYS A 37 -8.745 0.469 -0.806 1.00 0.00 O ATOM 556 CB LYS A 37 -8.873 2.987 -3.077 1.00 0.00 C ATOM 557 CG LYS A 37 -10.102 3.584 -3.740 1.00 0.00 C ATOM 558 CD LYS A 37 -10.202 3.174 -5.200 1.00 0.00 C ATOM 559 CE LYS A 37 -10.895 4.242 -6.033 1.00 0.00 C ATOM 560 NZ LYS A 37 -12.370 4.042 -6.076 1.00 0.00 N ATOM 0 H LYS A 37 -8.506 4.734 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.101 2.496 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.030 3.663 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.619 2.052 -3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.997 3.261 -3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.064 4.671 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.203 2.992 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.752 2.236 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.674 5.226 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.497 4.226 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.805 4.790 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.582 3.114 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.754 4.082 -5.110 1.00 0.00 H new ATOM 574 N VAL A 38 -6.893 1.682 -1.206 1.00 0.00 N ATOM 575 CA VAL A 38 -5.978 0.612 -0.829 1.00 0.00 C ATOM 576 C VAL A 38 -6.407 -0.043 0.479 1.00 0.00 C ATOM 577 O VAL A 38 -6.481 -1.268 0.578 1.00 0.00 O ATOM 578 CB VAL A 38 -4.536 1.132 -0.681 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.604 0.010 -0.248 1.00 0.00 C ATOM 580 CG2 VAL A 38 -4.060 1.759 -1.983 1.00 0.00 C ATOM 0 H VAL A 38 -6.435 2.545 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.009 -0.127 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.523 1.900 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.590 0.397 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.935 -0.389 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.618 -0.783 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.039 2.121 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.088 1.013 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.712 2.592 -2.245 1.00 0.00 H new ATOM 590 N LYS A 39 -6.690 0.781 1.482 1.00 0.00 N ATOM 591 CA LYS A 39 -7.114 0.284 2.785 1.00 0.00 C ATOM 592 C LYS A 39 -8.482 -0.384 2.694 1.00 0.00 C ATOM 593 O LYS A 39 -8.702 -1.449 3.268 1.00 0.00 O ATOM 594 CB LYS A 39 -7.160 1.429 3.800 1.00 0.00 C ATOM 595 CG LYS A 39 -5.800 1.796 4.366 1.00 0.00 C ATOM 596 CD LYS A 39 -5.776 3.226 4.879 1.00 0.00 C ATOM 597 CE LYS A 39 -4.397 3.612 5.391 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.461 4.736 6.366 1.00 0.00 N ATOM 0 H LYS A 39 -6.633 1.797 1.417 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.388 -0.459 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.595 2.308 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.822 1.150 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.546 1.113 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.039 1.672 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.072 3.905 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.507 3.339 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.930 2.748 5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.764 3.896 4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.500 5.081 6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.032 5.509 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.897 4.404 7.250 1.00 0.00 H new ATOM 612 N GLY A 40 -9.397 0.248 1.966 1.00 0.00 N ATOM 613 CA GLY A 40 -10.731 -0.301 1.812 1.00 0.00 C ATOM 614 C GLY A 40 -10.728 -1.641 1.102 1.00 0.00 C ATOM 615 O GLY A 40 -11.642 -2.448 1.280 1.00 0.00 O ATOM 0 H GLY A 40 -9.238 1.131 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.189 -0.415 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.348 0.402 1.252 1.00 0.00 H new ATOM 619 N LEU A 41 -9.700 -1.878 0.295 1.00 0.00 N ATOM 620 CA LEU A 41 -9.583 -3.130 -0.446 1.00 0.00 C ATOM 621 C LEU A 41 -9.131 -4.264 0.469 1.00 0.00 C ATOM 622 O LEU A 41 -9.553 -5.410 0.309 1.00 0.00 O ATOM 623 CB LEU A 41 -8.596 -2.969 -1.604 1.00 0.00 C ATOM 624 CG LEU A 41 -8.155 -4.260 -2.294 1.00 0.00 C ATOM 625 CD1 LEU A 41 -9.087 -4.594 -3.448 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.719 -4.139 -2.783 1.00 0.00 C ATOM 0 H LEU A 41 -8.936 -1.221 0.137 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.565 -3.381 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.047 -2.317 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.708 -2.459 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.204 -5.072 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.757 -5.516 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.101 -4.724 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.072 -3.782 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.422 -5.067 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.645 -3.315 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.061 -3.948 -1.935 1.00 0.00 H new ATOM 638 N LEU A 42 -8.272 -3.936 1.428 1.00 0.00 N ATOM 639 CA LEU A 42 -7.764 -4.927 2.371 1.00 0.00 C ATOM 640 C LEU A 42 -8.736 -5.124 3.530 1.00 0.00 C ATOM 641 O LEU A 42 -8.901 -6.235 4.033 1.00 0.00 O ATOM 642 CB LEU A 42 -6.397 -4.497 2.905 1.00 0.00 C ATOM 643 CG LEU A 42 -5.254 -4.485 1.890 1.00 0.00 C ATOM 644 CD1 LEU A 42 -4.063 -3.712 2.435 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.847 -5.907 1.527 1.00 0.00 C ATOM 0 H LEU A 42 -7.913 -2.992 1.573 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.660 -5.875 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.492 -3.496 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.123 -5.163 3.723 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.603 -3.985 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.260 -3.715 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.361 -2.684 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.714 -4.182 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.032 -5.879 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.518 -6.431 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.699 -6.430 1.093 1.00 0.00 H new ATOM 657 N SER A 43 -9.379 -4.038 3.948 1.00 0.00 N ATOM 658 CA SER A 43 -10.334 -4.091 5.049 1.00 0.00 C ATOM 659 C SER A 43 -11.188 -5.353 4.967 1.00 0.00 C ATOM 660 O SER A 43 -11.444 -6.009 5.977 1.00 0.00 O ATOM 661 CB SER A 43 -11.232 -2.853 5.033 1.00 0.00 C ATOM 662 OG SER A 43 -12.427 -3.080 5.760 1.00 0.00 O ATOM 0 H SER A 43 -9.256 -3.111 3.541 1.00 0.00 H new ATOM 0 HA SER A 43 -9.773 -4.112 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.697 -2.006 5.462 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.474 -2.589 4.004 1.00 0.00 H new ATOM 0 HG SER A 43 -12.228 -3.098 6.719 1.00 0.00 H new ATOM 668 N ARG A 44 -11.625 -5.687 3.757 1.00 0.00 N ATOM 669 CA ARG A 44 -12.451 -6.869 3.542 1.00 0.00 C ATOM 670 C ARG A 44 -11.627 -8.144 3.701 1.00 0.00 C ATOM 671 O ARG A 44 -12.133 -9.169 4.158 1.00 0.00 O ATOM 672 CB ARG A 44 -13.084 -6.828 2.150 1.00 0.00 C ATOM 673 CG ARG A 44 -14.082 -5.696 1.967 1.00 0.00 C ATOM 674 CD ARG A 44 -15.417 -6.020 2.618 1.00 0.00 C ATOM 675 NE ARG A 44 -16.463 -5.083 2.218 1.00 0.00 N ATOM 676 CZ ARG A 44 -16.565 -3.848 2.696 1.00 0.00 C ATOM 677 NH1 ARG A 44 -15.690 -3.403 3.586 1.00 0.00 N ATOM 678 NH2 ARG A 44 -17.545 -3.054 2.282 1.00 0.00 N ATOM 0 H ARG A 44 -11.421 -5.156 2.911 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.241 -6.872 4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.295 -6.729 1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.585 -7.777 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.678 -4.780 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.230 -5.509 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.715 -7.033 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.306 -5.998 3.702 1.00 0.00 H new ATOM 0 HE ARG A 44 -17.153 -5.394 1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.935 -4.009 3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.771 -2.454 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.220 -3.392 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.623 -2.106 2.650 1.00 0.00 H new ATOM 692 N LEU A 45 -10.357 -8.072 3.321 1.00 0.00 N ATOM 693 CA LEU A 45 -9.462 -9.220 3.421 1.00 0.00 C ATOM 694 C LEU A 45 -9.089 -9.495 4.874 1.00 0.00 C ATOM 695 O LEU A 45 -9.352 -10.578 5.399 1.00 0.00 O ATOM 696 CB LEU A 45 -8.197 -8.980 2.594 1.00 0.00 C ATOM 697 CG LEU A 45 -8.271 -9.385 1.122 1.00 0.00 C ATOM 698 CD1 LEU A 45 -8.899 -8.276 0.293 1.00 0.00 C ATOM 699 CD2 LEU A 45 -6.885 -9.729 0.594 1.00 0.00 C ATOM 0 H LEU A 45 -9.923 -7.231 2.941 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.985 -10.092 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.948 -7.920 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.375 -9.524 3.059 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.900 -10.271 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.943 -8.583 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.908 -8.077 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.297 -7.371 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.956 -10.015 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.233 -8.861 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.472 -10.558 1.169 1.00 0.00 H new ATOM 711 N LEU A 46 -8.477 -8.508 5.519 1.00 0.00 N ATOM 712 CA LEU A 46 -8.070 -8.643 6.914 1.00 0.00 C ATOM 713 C LEU A 46 -9.195 -8.219 7.853 1.00 0.00 C ATOM 714 O LEU A 46 -8.953 -7.854 9.004 1.00 0.00 O ATOM 715 CB LEU A 46 -6.821 -7.802 7.184 1.00 0.00 C ATOM 716 CG LEU A 46 -5.546 -8.245 6.465 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.580 -7.079 6.324 1.00 0.00 C ATOM 718 CD2 LEU A 46 -4.887 -9.398 7.208 1.00 0.00 C ATOM 0 H LEU A 46 -8.252 -7.606 5.099 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.842 -9.692 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.034 -6.771 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.629 -7.806 8.257 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.816 -8.589 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.679 -7.413 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.052 -6.283 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.316 -6.704 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.981 -9.700 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.631 -9.080 8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.576 -10.241 7.257 1.00 0.00 H new ATOM 730 N LYS A 47 -10.425 -8.270 7.355 1.00 0.00 N ATOM 731 CA LYS A 47 -11.589 -7.895 8.149 1.00 0.00 C ATOM 732 C LYS A 47 -11.241 -6.783 9.132 1.00 0.00 C ATOM 733 O LYS A 47 -11.505 -6.894 10.330 1.00 0.00 O ATOM 734 CB LYS A 47 -12.128 -9.111 8.907 1.00 0.00 C ATOM 735 CG LYS A 47 -11.074 -9.830 9.730 1.00 0.00 C ATOM 736 CD LYS A 47 -10.334 -10.869 8.904 1.00 0.00 C ATOM 737 CE LYS A 47 -9.079 -11.355 9.612 1.00 0.00 C ATOM 738 NZ LYS A 47 -8.247 -12.224 8.734 1.00 0.00 N ATOM 0 H LYS A 47 -10.642 -8.568 6.404 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.358 -7.528 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.935 -8.790 9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.560 -9.812 8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.363 -9.105 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.546 -10.313 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.993 -11.715 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.065 -10.443 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.490 -10.497 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.359 -11.907 10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.561 -12.748 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.860 -12.897 8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.739 -11.635 8.044 1.00 0.00 H new ATOM 752 N VAL A 48 -10.648 -5.709 8.619 1.00 0.00 N ATOM 753 CA VAL A 48 -10.266 -4.575 9.452 1.00 0.00 C ATOM 754 C VAL A 48 -10.785 -3.266 8.868 1.00 0.00 C ATOM 755 O VAL A 48 -10.751 -3.040 7.659 1.00 0.00 O ATOM 756 CB VAL A 48 -8.737 -4.484 9.609 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.353 -3.232 10.382 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.197 -5.730 10.295 1.00 0.00 C ATOM 0 H VAL A 48 -10.422 -5.601 7.630 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.715 -4.736 10.432 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.291 -4.421 8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.269 -3.185 10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.706 -2.351 9.846 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.809 -3.261 11.372 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.115 -5.649 10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.649 -5.827 11.282 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.440 -6.609 9.697 1.00 0.00 H new ATOM 768 N PRO A 49 -11.277 -2.380 9.747 1.00 0.00 N ATOM 769 CA PRO A 49 -11.812 -1.077 9.343 1.00 0.00 C ATOM 770 C PRO A 49 -10.723 -0.130 8.851 1.00 0.00 C ATOM 771 O PRO A 49 -9.668 -0.004 9.474 1.00 0.00 O ATOM 772 CB PRO A 49 -12.447 -0.540 10.628 1.00 0.00 C ATOM 773 CG PRO A 49 -11.709 -1.221 11.728 1.00 0.00 C ATOM 774 CD PRO A 49 -11.349 -2.583 11.204 1.00 0.00 C ATOM 0 HA PRO A 49 -12.510 -1.164 8.510 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.348 0.543 10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.513 -0.765 10.667 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.816 -0.661 12.004 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.326 -1.298 12.623 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.399 -2.931 11.609 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.100 -3.327 11.469 1.00 0.00 H new ATOM 782 N VAL A 50 -10.984 0.533 7.729 1.00 0.00 N ATOM 783 CA VAL A 50 -10.026 1.470 7.154 1.00 0.00 C ATOM 784 C VAL A 50 -9.642 2.550 8.160 1.00 0.00 C ATOM 785 O VAL A 50 -8.569 3.146 8.067 1.00 0.00 O ATOM 786 CB VAL A 50 -10.587 2.140 5.886 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.672 3.265 5.427 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.779 1.112 4.782 1.00 0.00 C ATOM 0 H VAL A 50 -11.851 0.439 7.200 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.140 0.893 6.889 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.560 2.570 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.085 3.727 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.591 4.013 6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.683 2.863 5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.176 1.602 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.821 0.650 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.478 0.345 5.116 1.00 0.00 H new ATOM 798 N SER A 51 -10.527 2.797 9.121 1.00 0.00 N ATOM 799 CA SER A 51 -10.283 3.809 10.142 1.00 0.00 C ATOM 800 C SER A 51 -9.085 3.429 11.008 1.00 0.00 C ATOM 801 O SER A 51 -8.474 4.283 11.649 1.00 0.00 O ATOM 802 CB SER A 51 -11.523 3.988 11.019 1.00 0.00 C ATOM 803 OG SER A 51 -11.756 2.838 11.815 1.00 0.00 O ATOM 0 H SER A 51 -11.419 2.310 9.214 1.00 0.00 H new ATOM 0 HA SER A 51 -10.063 4.751 9.640 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.395 4.859 11.662 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.392 4.181 10.390 1.00 0.00 H new ATOM 0 HG SER A 51 -12.553 2.979 12.368 1.00 0.00 H new ATOM 809 N GLU A 52 -8.756 2.141 11.019 1.00 0.00 N ATOM 810 CA GLU A 52 -7.632 1.647 11.806 1.00 0.00 C ATOM 811 C GLU A 52 -6.468 1.250 10.903 1.00 0.00 C ATOM 812 O GLU A 52 -5.303 1.364 11.287 1.00 0.00 O ATOM 813 CB GLU A 52 -8.063 0.450 12.657 1.00 0.00 C ATOM 814 CG GLU A 52 -9.118 0.791 13.697 1.00 0.00 C ATOM 815 CD GLU A 52 -8.536 1.486 14.912 1.00 0.00 C ATOM 816 OE1 GLU A 52 -7.827 2.498 14.734 1.00 0.00 O ATOM 817 OE2 GLU A 52 -8.791 1.017 16.041 1.00 0.00 O ATOM 0 H GLU A 52 -9.251 1.421 10.492 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.301 2.451 12.464 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.450 -0.331 12.002 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.188 0.039 13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.875 1.432 13.245 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.621 -0.123 14.012 1.00 0.00 H new ATOM 824 N LEU A 53 -6.792 0.783 9.702 1.00 0.00 N ATOM 825 CA LEU A 53 -5.774 0.368 8.743 1.00 0.00 C ATOM 826 C LEU A 53 -4.874 1.539 8.363 1.00 0.00 C ATOM 827 O LEU A 53 -5.290 2.448 7.643 1.00 0.00 O ATOM 828 CB LEU A 53 -6.432 -0.212 7.490 1.00 0.00 C ATOM 829 CG LEU A 53 -7.042 -1.606 7.636 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.916 -1.935 6.436 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.950 -2.652 7.806 1.00 0.00 C ATOM 0 H LEU A 53 -7.751 0.682 9.369 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.160 -0.401 9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.215 0.473 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.687 -0.245 6.695 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.668 -1.615 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.341 -2.931 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.721 -1.204 6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.313 -1.907 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.403 -3.638 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.297 -2.642 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.366 -2.427 8.698 1.00 0.00 H new ATOM 843 N LEU A 54 -3.638 1.512 8.851 1.00 0.00 N ATOM 844 CA LEU A 54 -2.677 2.571 8.560 1.00 0.00 C ATOM 845 C LEU A 54 -1.563 2.060 7.653 1.00 0.00 C ATOM 846 O LEU A 54 -0.779 1.193 8.042 1.00 0.00 O ATOM 847 CB LEU A 54 -2.083 3.117 9.860 1.00 0.00 C ATOM 848 CG LEU A 54 -3.066 3.796 10.814 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.552 3.733 12.244 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.306 5.239 10.395 1.00 0.00 C ATOM 0 H LEU A 54 -3.278 0.769 9.450 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.202 3.374 8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.603 2.295 10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.301 3.833 9.606 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.015 3.262 10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.265 4.221 12.909 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.433 2.691 12.542 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.590 4.241 12.308 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.008 5.706 11.085 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.363 5.785 10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.719 5.261 9.387 1.00 0.00 H new ATOM 862 N LEU A 55 -1.496 2.605 6.443 1.00 0.00 N ATOM 863 CA LEU A 55 -0.475 2.207 5.480 1.00 0.00 C ATOM 864 C LEU A 55 0.773 3.073 5.621 1.00 0.00 C ATOM 865 O LEU A 55 0.682 4.283 5.824 1.00 0.00 O ATOM 866 CB LEU A 55 -1.022 2.309 4.056 1.00 0.00 C ATOM 867 CG LEU A 55 -1.610 1.025 3.469 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.504 0.038 3.130 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.604 0.402 4.437 1.00 0.00 C ATOM 0 H LEU A 55 -2.137 3.324 6.106 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.202 1.172 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.793 3.079 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.218 2.648 3.403 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.138 1.278 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.941 -0.869 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.170 0.484 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.053 -0.209 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.012 -0.511 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.100 0.164 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.414 1.106 4.630 1.00 0.00 H new ATOM 881 N SER A 56 1.939 2.443 5.509 1.00 0.00 N ATOM 882 CA SER A 56 3.206 3.156 5.626 1.00 0.00 C ATOM 883 C SER A 56 4.257 2.549 4.701 1.00 0.00 C ATOM 884 O SER A 56 4.612 1.377 4.830 1.00 0.00 O ATOM 885 CB SER A 56 3.703 3.123 7.072 1.00 0.00 C ATOM 886 OG SER A 56 3.511 1.842 7.648 1.00 0.00 O ATOM 0 H SER A 56 2.032 1.442 5.338 1.00 0.00 H new ATOM 0 HA SER A 56 3.041 4.192 5.330 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.761 3.384 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.173 3.873 7.659 1.00 0.00 H new ATOM 0 HG SER A 56 3.838 1.846 8.572 1.00 0.00 H new ATOM 892 N TYR A 57 4.750 3.355 3.768 1.00 0.00 N ATOM 893 CA TYR A 57 5.759 2.899 2.819 1.00 0.00 C ATOM 894 C TYR A 57 7.162 3.256 3.300 1.00 0.00 C ATOM 895 O TYR A 57 7.383 4.331 3.858 1.00 0.00 O ATOM 896 CB TYR A 57 5.509 3.514 1.441 1.00 0.00 C ATOM 897 CG TYR A 57 6.189 4.850 1.241 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.736 5.987 1.898 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.285 4.974 0.396 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.354 7.210 1.718 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.910 6.192 0.211 1.00 0.00 C ATOM 902 CZ TYR A 57 7.441 7.307 0.875 1.00 0.00 C ATOM 903 OH TYR A 57 8.060 8.522 0.692 1.00 0.00 O ATOM 0 H TYR A 57 4.468 4.328 3.648 1.00 0.00 H new ATOM 0 HA TYR A 57 5.685 1.814 2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.856 2.821 0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.436 3.637 1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.886 5.914 2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.655 4.103 -0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.988 8.085 2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.761 6.271 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 57 7.531 9.069 0.075 1.00 0.00 H new ATOM 913 N GLU A 58 8.106 2.347 3.080 1.00 0.00 N ATOM 914 CA GLU A 58 9.487 2.566 3.492 1.00 0.00 C ATOM 915 C GLU A 58 10.362 2.925 2.294 1.00 0.00 C ATOM 916 O GLU A 58 10.708 2.065 1.485 1.00 0.00 O ATOM 917 CB GLU A 58 10.040 1.318 4.185 1.00 0.00 C ATOM 918 CG GLU A 58 11.214 1.604 5.107 1.00 0.00 C ATOM 919 CD GLU A 58 11.543 0.432 6.012 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.006 -0.605 5.493 1.00 0.00 O ATOM 921 OE2 GLU A 58 11.338 0.553 7.237 1.00 0.00 O ATOM 0 H GLU A 58 7.940 1.452 2.619 1.00 0.00 H new ATOM 0 HA GLU A 58 9.502 3.400 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.242 0.849 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.351 0.599 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.090 1.853 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.987 2.478 5.718 1.00 0.00 H new ATOM 928 N SER A 59 10.714 4.202 2.188 1.00 0.00 N ATOM 929 CA SER A 59 11.544 4.677 1.087 1.00 0.00 C ATOM 930 C SER A 59 12.742 3.758 0.874 1.00 0.00 C ATOM 931 O SER A 59 13.542 3.540 1.785 1.00 0.00 O ATOM 932 CB SER A 59 12.024 6.104 1.361 1.00 0.00 C ATOM 933 OG SER A 59 12.875 6.147 2.493 1.00 0.00 O ATOM 0 H SER A 59 10.438 4.926 2.851 1.00 0.00 H new ATOM 0 HA SER A 59 10.939 4.672 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.554 6.486 0.489 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.165 6.755 1.523 1.00 0.00 H new ATOM 0 HG SER A 59 13.182 5.241 2.706 1.00 0.00 H new ATOM 939 N SER A 60 12.860 3.220 -0.336 1.00 0.00 N ATOM 940 CA SER A 60 13.958 2.321 -0.669 1.00 0.00 C ATOM 941 C SER A 60 15.305 2.987 -0.407 1.00 0.00 C ATOM 942 O SER A 60 16.223 2.369 0.134 1.00 0.00 O ATOM 943 CB SER A 60 13.866 1.890 -2.135 1.00 0.00 C ATOM 944 OG SER A 60 12.894 0.874 -2.308 1.00 0.00 O ATOM 0 H SER A 60 12.208 3.391 -1.102 1.00 0.00 H new ATOM 0 HA SER A 60 13.878 1.440 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.612 2.750 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.838 1.529 -2.473 1.00 0.00 H new ATOM 0 HG SER A 60 12.853 0.618 -3.253 1.00 0.00 H new ATOM 950 N LYS A 61 15.417 4.253 -0.793 1.00 0.00 N ATOM 951 CA LYS A 61 16.650 5.007 -0.600 1.00 0.00 C ATOM 952 C LYS A 61 16.968 5.158 0.884 1.00 0.00 C ATOM 953 O LYS A 61 18.115 5.001 1.302 1.00 0.00 O ATOM 954 CB LYS A 61 16.536 6.387 -1.252 1.00 0.00 C ATOM 955 CG LYS A 61 15.487 7.278 -0.609 1.00 0.00 C ATOM 956 CD LYS A 61 15.470 8.662 -1.237 1.00 0.00 C ATOM 957 CE LYS A 61 14.830 9.685 -0.313 1.00 0.00 C ATOM 958 NZ LYS A 61 14.426 10.918 -1.045 1.00 0.00 N ATOM 0 H LYS A 61 14.668 4.779 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 61 17.462 4.455 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.504 6.885 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.297 6.262 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.504 6.818 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.687 7.364 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.489 8.969 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.923 8.629 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.956 9.245 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.531 9.947 0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.994 11.591 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.264 11.353 -1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.738 10.673 -1.785 1.00 0.00 H new ATOM 972 N MET A 62 15.945 5.464 1.676 1.00 0.00 N ATOM 973 CA MET A 62 16.116 5.633 3.114 1.00 0.00 C ATOM 974 C MET A 62 15.340 4.569 3.883 1.00 0.00 C ATOM 975 O MET A 62 14.229 4.800 4.359 1.00 0.00 O ATOM 976 CB MET A 62 15.655 7.028 3.543 1.00 0.00 C ATOM 977 CG MET A 62 16.290 7.505 4.839 1.00 0.00 C ATOM 978 SD MET A 62 16.243 9.299 5.015 1.00 0.00 S ATOM 979 CE MET A 62 16.657 9.480 6.748 1.00 0.00 C ATOM 0 H MET A 62 14.989 5.600 1.346 1.00 0.00 H new ATOM 0 HA MET A 62 17.175 5.521 3.345 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.888 7.739 2.750 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.571 7.024 3.659 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.773 7.047 5.682 1.00 0.00 H new ATOM 0 HG3 MET A 62 17.325 7.167 4.878 1.00 0.00 H new ATOM 0 HE1 MET A 62 16.238 10.412 7.127 1.00 0.00 H new ATOM 0 HE2 MET A 62 16.244 8.642 7.310 1.00 0.00 H new ATOM 0 HE3 MET A 62 17.741 9.496 6.863 1.00 0.00 H new ATOM 989 N PRO A 63 15.937 3.375 4.008 1.00 0.00 N ATOM 990 CA PRO A 63 15.319 2.251 4.719 1.00 0.00 C ATOM 991 C PRO A 63 15.252 2.485 6.225 1.00 0.00 C ATOM 992 O PRO A 63 16.097 3.173 6.794 1.00 0.00 O ATOM 993 CB PRO A 63 16.248 1.077 4.402 1.00 0.00 C ATOM 994 CG PRO A 63 17.567 1.704 4.110 1.00 0.00 C ATOM 995 CD PRO A 63 17.262 3.029 3.466 1.00 0.00 C ATOM 0 HA PRO A 63 14.286 2.091 4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.315 0.387 5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.885 0.504 3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.146 1.838 5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.160 1.075 3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.009 3.781 3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.244 2.953 2.379 1.00 0.00 H new ATOM 1003 N GLY A 64 14.239 1.906 6.864 1.00 0.00 N ATOM 1004 CA GLY A 64 14.081 2.063 8.298 1.00 0.00 C ATOM 1005 C GLY A 64 13.126 3.185 8.656 1.00 0.00 C ATOM 1006 O GLY A 64 12.371 3.081 9.623 1.00 0.00 O ATOM 0 H GLY A 64 13.526 1.332 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.716 1.129 8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.054 2.260 8.748 1.00 0.00 H new ATOM 1010 N ARG A 65 13.160 4.260 7.876 1.00 0.00 N ATOM 1011 CA ARG A 65 12.293 5.407 8.118 1.00 0.00 C ATOM 1012 C ARG A 65 11.006 5.297 7.307 1.00 0.00 C ATOM 1013 O ARG A 65 10.928 5.787 6.181 1.00 0.00 O ATOM 1014 CB ARG A 65 13.021 6.706 7.767 1.00 0.00 C ATOM 1015 CG ARG A 65 12.504 7.918 8.526 1.00 0.00 C ATOM 1016 CD ARG A 65 13.086 9.210 7.975 1.00 0.00 C ATOM 1017 NE ARG A 65 12.557 10.386 8.661 1.00 0.00 N ATOM 1018 CZ ARG A 65 12.964 11.626 8.415 1.00 0.00 C ATOM 1019 NH1 ARG A 65 13.901 11.851 7.504 1.00 0.00 N ATOM 1020 NH2 ARG A 65 12.434 12.644 9.081 1.00 0.00 N ATOM 0 H ARG A 65 13.778 4.361 7.071 1.00 0.00 H new ATOM 0 HA ARG A 65 12.034 5.418 9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.084 6.584 7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.924 6.889 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.416 7.952 8.463 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.759 7.824 9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.171 9.190 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.865 9.282 6.910 1.00 0.00 H new ATOM 0 HE ARG A 65 11.835 10.247 9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.311 11.071 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.212 12.804 7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.713 12.475 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.747 13.596 8.891 1.00 0.00 H new ATOM 1034 N GLU A 66 10.000 4.649 7.887 1.00 0.00 N ATOM 1035 CA GLU A 66 8.718 4.473 7.216 1.00 0.00 C ATOM 1036 C GLU A 66 7.873 5.740 7.317 1.00 0.00 C ATOM 1037 O GLU A 66 7.912 6.446 8.325 1.00 0.00 O ATOM 1038 CB GLU A 66 7.958 3.291 7.821 1.00 0.00 C ATOM 1039 CG GLU A 66 7.659 3.454 9.302 1.00 0.00 C ATOM 1040 CD GLU A 66 7.424 2.128 9.999 1.00 0.00 C ATOM 1041 OE1 GLU A 66 8.391 1.352 10.139 1.00 0.00 O ATOM 1042 OE2 GLU A 66 6.271 1.868 10.405 1.00 0.00 O ATOM 0 H GLU A 66 10.049 4.238 8.819 1.00 0.00 H new ATOM 0 HA GLU A 66 8.913 4.269 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.020 3.159 7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.541 2.382 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.490 3.970 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.779 4.085 9.424 1.00 0.00 H new ATOM 1049 N ILE A 67 7.112 6.022 6.265 1.00 0.00 N ATOM 1050 CA ILE A 67 6.258 7.203 6.235 1.00 0.00 C ATOM 1051 C ILE A 67 4.794 6.827 6.437 1.00 0.00 C ATOM 1052 O ILE A 67 4.220 6.077 5.648 1.00 0.00 O ATOM 1053 CB ILE A 67 6.400 7.967 4.905 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.846 8.429 4.710 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.450 9.154 4.872 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.725 7.398 4.038 1.00 0.00 C ATOM 0 H ILE A 67 7.069 5.449 5.422 1.00 0.00 H new ATOM 0 HA ILE A 67 6.582 7.848 7.052 1.00 0.00 H new ATOM 0 HB ILE A 67 6.139 7.295 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.850 9.342 4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.272 8.681 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.562 9.684 3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.423 8.801 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.682 9.829 5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.735 7.794 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.752 6.492 4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.323 7.164 3.052 1.00 0.00 H new ATOM 1068 N GLU A 68 4.194 7.356 7.500 1.00 0.00 N ATOM 1069 CA GLU A 68 2.796 7.077 7.805 1.00 0.00 C ATOM 1070 C GLU A 68 1.870 7.883 6.899 1.00 0.00 C ATOM 1071 O GLU A 68 1.872 9.114 6.927 1.00 0.00 O ATOM 1072 CB GLU A 68 2.498 7.396 9.272 1.00 0.00 C ATOM 1073 CG GLU A 68 2.774 8.842 9.648 1.00 0.00 C ATOM 1074 CD GLU A 68 2.641 9.093 11.138 1.00 0.00 C ATOM 1075 OE1 GLU A 68 1.817 8.413 11.783 1.00 0.00 O ATOM 1076 OE2 GLU A 68 3.363 9.969 11.657 1.00 0.00 O ATOM 0 H GLU A 68 4.654 7.979 8.163 1.00 0.00 H new ATOM 0 HA GLU A 68 2.616 6.017 7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.452 7.169 9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.098 6.743 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.780 9.111 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.083 9.491 9.111 1.00 0.00 H new ATOM 1083 N LEU A 69 1.079 7.180 6.096 1.00 0.00 N ATOM 1084 CA LEU A 69 0.147 7.828 5.180 1.00 0.00 C ATOM 1085 C LEU A 69 -1.181 8.120 5.871 1.00 0.00 C ATOM 1086 O LEU A 69 -2.101 7.304 5.837 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.087 6.948 3.951 1.00 0.00 C ATOM 1088 CG LEU A 69 1.157 6.298 3.344 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.766 5.305 2.261 1.00 0.00 C ATOM 1090 CD2 LEU A 69 2.093 7.359 2.784 1.00 0.00 C ATOM 0 H LEU A 69 1.064 6.161 6.061 1.00 0.00 H new ATOM 0 HA LEU A 69 0.586 8.774 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.789 6.159 4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.568 7.553 3.182 1.00 0.00 H new ATOM 0 HG LEU A 69 1.682 5.757 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.664 4.853 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.135 4.527 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.218 5.822 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.973 6.879 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.577 7.927 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.400 8.032 3.584 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.272 9.290 6.496 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.489 9.690 7.193 1.00 0.00 C ATOM 1104 C GLU A 70 -3.536 10.204 6.210 1.00 0.00 C ATOM 1105 O GLU A 70 -4.724 9.914 6.343 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.177 10.768 8.233 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.543 12.017 7.643 1.00 0.00 C ATOM 1108 CD GLU A 70 -1.054 12.981 8.707 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.277 12.552 9.585 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -1.451 14.164 8.661 1.00 0.00 O ATOM 0 H GLU A 70 -0.519 9.977 6.534 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.892 8.813 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.099 11.045 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.508 10.352 8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.706 11.729 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.269 12.522 7.006 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.085 10.971 5.222 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.982 11.528 4.216 1.00 0.00 C ATOM 1119 C ASN A 71 -4.563 10.426 3.335 1.00 0.00 C ATOM 1120 O ASN A 71 -3.902 9.936 2.419 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.242 12.550 3.352 1.00 0.00 C ATOM 1122 CG ASN A 71 -3.325 13.955 3.918 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -2.660 14.280 4.902 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -4.145 14.795 3.297 1.00 0.00 N ATOM 0 H ASN A 71 -2.104 11.221 5.097 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.802 12.026 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.196 12.258 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.660 12.542 2.346 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.243 15.753 3.632 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.677 14.482 2.485 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.802 10.041 3.618 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.473 8.998 2.851 1.00 0.00 C ATOM 1133 C ASP A 72 -6.941 9.533 1.501 1.00 0.00 C ATOM 1134 O ASP A 72 -7.051 8.784 0.529 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.665 8.445 3.635 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.265 7.336 4.588 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.148 7.404 5.142 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -8.069 6.400 4.780 1.00 0.00 O ATOM 0 H ASP A 72 -6.363 10.436 4.373 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.759 8.194 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.133 9.253 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.413 8.068 2.937 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.216 10.831 1.447 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.674 11.466 0.216 1.00 0.00 C ATOM 1145 C LEU A 73 -6.491 11.915 -0.637 1.00 0.00 C ATOM 1146 O LEU A 73 -6.566 12.926 -1.335 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.568 12.665 0.539 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.959 12.337 1.083 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.688 13.610 1.486 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.765 11.561 0.052 1.00 0.00 C ATOM 0 H LEU A 73 -7.130 11.465 2.241 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.250 10.733 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.053 13.291 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.685 13.260 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.844 11.713 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.676 13.357 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.119 14.126 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.792 14.260 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.752 11.336 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.871 12.160 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.250 10.630 -0.187 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.403 11.154 -0.577 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.206 11.473 -1.345 1.00 0.00 C ATOM 1164 C GLN A 74 -3.629 10.222 -2.000 1.00 0.00 C ATOM 1165 O GLN A 74 -3.567 9.150 -1.398 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.154 12.123 -0.445 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.531 13.520 0.021 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.294 14.574 -1.042 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -3.421 14.306 -2.237 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -2.947 15.781 -0.612 1.00 0.00 N ATOM 0 H GLN A 74 -5.326 10.313 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.486 12.176 -2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.993 11.489 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.207 12.172 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.582 13.531 0.310 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.953 13.770 0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.853 15.959 0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.774 16.531 -1.282 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.197 10.359 -3.262 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.618 9.249 -4.025 1.00 0.00 C ATOM 1181 C PRO A 75 -1.248 8.835 -3.498 1.00 0.00 C ATOM 1182 O PRO A 75 -0.520 9.649 -2.927 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.496 9.819 -5.441 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.402 11.293 -5.250 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.240 11.608 -4.041 1.00 0.00 C ATOM 0 HA PRO A 75 -3.230 8.349 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.615 9.429 -5.950 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.360 9.553 -6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.368 11.602 -5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.769 11.825 -6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.833 12.447 -3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.260 11.874 -4.317 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.903 7.567 -3.691 1.00 0.00 N ATOM 1194 CA LEU A 76 0.380 7.045 -3.235 1.00 0.00 C ATOM 1195 C LEU A 76 1.534 7.874 -3.790 1.00 0.00 C ATOM 1196 O LEU A 76 2.585 7.991 -3.161 1.00 0.00 O ATOM 1197 CB LEU A 76 0.538 5.584 -3.658 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.298 4.566 -2.881 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.188 4.461 -1.445 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.772 4.945 -2.921 1.00 0.00 C ATOM 0 H LEU A 76 -1.494 6.881 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 76 0.403 7.107 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.283 5.503 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.589 5.310 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.181 3.591 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.419 3.732 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.230 4.142 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.102 5.433 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.352 4.210 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.907 5.929 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.114 4.968 -3.956 1.00 0.00 H new ATOM 1212 N GLN A 77 1.328 8.450 -4.971 1.00 0.00 N ATOM 1213 CA GLN A 77 2.351 9.269 -5.609 1.00 0.00 C ATOM 1214 C GLN A 77 2.652 10.510 -4.776 1.00 0.00 C ATOM 1215 O GLN A 77 3.786 10.991 -4.746 1.00 0.00 O ATOM 1216 CB GLN A 77 1.902 9.680 -7.013 1.00 0.00 C ATOM 1217 CG GLN A 77 0.801 10.728 -7.018 1.00 0.00 C ATOM 1218 CD GLN A 77 1.342 12.143 -7.061 1.00 0.00 C ATOM 1219 OE1 GLN A 77 2.384 12.403 -7.664 1.00 0.00 O ATOM 1220 NE2 GLN A 77 0.635 13.068 -6.422 1.00 0.00 N ATOM 0 H GLN A 77 0.463 8.364 -5.504 1.00 0.00 H new ATOM 0 HA GLN A 77 3.262 8.675 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.761 10.065 -7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.553 8.796 -7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.153 10.565 -7.879 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.184 10.606 -6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.223 12.808 -5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.950 14.038 -6.418 1.00 0.00 H new ATOM 1229 N PHE A 78 1.631 11.026 -4.099 1.00 0.00 N ATOM 1230 CA PHE A 78 1.786 12.212 -3.266 1.00 0.00 C ATOM 1231 C PHE A 78 2.923 12.028 -2.264 1.00 0.00 C ATOM 1232 O PHE A 78 3.650 12.972 -1.953 1.00 0.00 O ATOM 1233 CB PHE A 78 0.483 12.515 -2.525 1.00 0.00 C ATOM 1234 CG PHE A 78 0.639 13.527 -1.426 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.863 14.862 -1.723 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.561 13.145 -0.097 1.00 0.00 C ATOM 1237 CE1 PHE A 78 1.008 15.796 -0.714 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.705 14.074 0.916 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.928 15.401 0.607 1.00 0.00 C ATOM 0 H PHE A 78 0.687 10.640 -4.111 1.00 0.00 H new ATOM 0 HA PHE A 78 2.030 13.052 -3.916 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.256 12.878 -3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.091 11.590 -2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.925 15.176 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.386 12.109 0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.184 16.833 -0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.643 13.762 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.040 16.129 1.397 1.00 0.00 H new ATOM 1249 N TYR A 79 3.070 10.807 -1.763 1.00 0.00 N ATOM 1250 CA TYR A 79 4.115 10.498 -0.795 1.00 0.00 C ATOM 1251 C TYR A 79 5.411 10.106 -1.498 1.00 0.00 C ATOM 1252 O TYR A 79 6.301 9.508 -0.894 1.00 0.00 O ATOM 1253 CB TYR A 79 3.663 9.369 0.133 1.00 0.00 C ATOM 1254 CG TYR A 79 2.608 9.790 1.131 1.00 0.00 C ATOM 1255 CD1 TYR A 79 1.259 9.763 0.798 1.00 0.00 C ATOM 1256 CD2 TYR A 79 2.960 10.217 2.405 1.00 0.00 C ATOM 1257 CE1 TYR A 79 0.292 10.147 1.706 1.00 0.00 C ATOM 1258 CE2 TYR A 79 1.999 10.602 3.320 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.667 10.566 2.966 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.293 10.950 3.874 1.00 0.00 O ATOM 0 H TYR A 79 2.478 10.014 -2.012 1.00 0.00 H new ATOM 0 HA TYR A 79 4.301 11.394 -0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.274 8.549 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.529 8.985 0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.962 9.436 -0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.003 10.249 2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.752 10.119 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.290 10.929 4.307 1.00 0.00 H new ATOM 0 HH TYR A 79 0.138 11.216 4.713 1.00 0.00 H new ATOM 1270 N SER A 80 5.508 10.449 -2.778 1.00 0.00 N ATOM 1271 CA SER A 80 6.693 10.131 -3.567 1.00 0.00 C ATOM 1272 C SER A 80 6.953 8.627 -3.575 1.00 0.00 C ATOM 1273 O SER A 80 8.094 8.182 -3.446 1.00 0.00 O ATOM 1274 CB SER A 80 7.914 10.868 -3.012 1.00 0.00 C ATOM 1275 OG SER A 80 7.967 12.200 -3.493 1.00 0.00 O ATOM 0 H SER A 80 4.781 10.947 -3.291 1.00 0.00 H new ATOM 0 HA SER A 80 6.515 10.457 -4.592 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.876 10.873 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.823 10.338 -3.297 1.00 0.00 H new ATOM 0 HG SER A 80 8.755 12.650 -3.123 1.00 0.00 H new ATOM 1281 N VAL A 81 5.886 7.850 -3.726 1.00 0.00 N ATOM 1282 CA VAL A 81 5.997 6.396 -3.752 1.00 0.00 C ATOM 1283 C VAL A 81 6.218 5.887 -5.172 1.00 0.00 C ATOM 1284 O VAL A 81 5.564 6.338 -6.112 1.00 0.00 O ATOM 1285 CB VAL A 81 4.738 5.727 -3.168 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.828 4.214 -3.300 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.544 6.133 -1.716 1.00 0.00 C ATOM 0 H VAL A 81 4.935 8.202 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 81 6.858 6.133 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 81 3.871 6.066 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.930 3.758 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.915 3.945 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.703 3.853 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.650 5.651 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.412 5.824 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.431 7.215 -1.653 1.00 0.00 H new ATOM 1297 N GLU A 82 7.143 4.944 -5.319 1.00 0.00 N ATOM 1298 CA GLU A 82 7.450 4.373 -6.625 1.00 0.00 C ATOM 1299 C GLU A 82 7.631 2.861 -6.530 1.00 0.00 C ATOM 1300 O GLU A 82 7.843 2.318 -5.447 1.00 0.00 O ATOM 1301 CB GLU A 82 8.715 5.014 -7.201 1.00 0.00 C ATOM 1302 CG GLU A 82 9.932 4.874 -6.302 1.00 0.00 C ATOM 1303 CD GLU A 82 11.118 5.679 -6.795 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.028 6.925 -6.803 1.00 0.00 O ATOM 1305 OE2 GLU A 82 12.136 5.063 -7.174 1.00 0.00 O ATOM 0 H GLU A 82 7.692 4.560 -4.550 1.00 0.00 H new ATOM 0 HA GLU A 82 6.611 4.579 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.934 4.561 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.526 6.072 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.673 5.197 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.213 3.823 -6.238 1.00 0.00 H new ATOM 1312 N ASN A 83 7.543 2.188 -7.672 1.00 0.00 N ATOM 1313 CA ASN A 83 7.695 0.738 -7.718 1.00 0.00 C ATOM 1314 C ASN A 83 8.970 0.302 -7.002 1.00 0.00 C ATOM 1315 O ASN A 83 9.975 1.011 -7.014 1.00 0.00 O ATOM 1316 CB ASN A 83 7.720 0.253 -9.169 1.00 0.00 C ATOM 1317 CG ASN A 83 8.852 0.872 -9.967 1.00 0.00 C ATOM 1318 OD1 ASN A 83 8.637 2.091 -10.449 1.00 0.00 O flip ATOM 1319 ND2 ASN A 83 9.906 0.263 -10.146 1.00 0.00 N flip ATOM 0 H ASN A 83 7.367 2.623 -8.578 1.00 0.00 H new ATOM 0 HA ASN A 83 6.842 0.291 -7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.819 -0.832 -9.185 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.770 0.493 -9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.027 -0.672 -9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.659 0.693 -10.683 1.00 0.00 H new ATOM 1326 N GLY A 84 8.920 -0.872 -6.379 1.00 0.00 N ATOM 1327 CA GLY A 84 10.076 -1.383 -5.667 1.00 0.00 C ATOM 1328 C GLY A 84 9.950 -1.222 -4.165 1.00 0.00 C ATOM 1329 O GLY A 84 10.335 -2.110 -3.404 1.00 0.00 O ATOM 0 H GLY A 84 8.100 -1.478 -6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.209 -2.438 -5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.970 -0.863 -6.011 1.00 0.00 H new ATOM 1333 N ASP A 85 9.411 -0.086 -3.737 1.00 0.00 N ATOM 1334 CA ASP A 85 9.235 0.190 -2.315 1.00 0.00 C ATOM 1335 C ASP A 85 8.471 -0.941 -1.633 1.00 0.00 C ATOM 1336 O ASP A 85 8.029 -1.887 -2.286 1.00 0.00 O ATOM 1337 CB ASP A 85 8.496 1.514 -2.118 1.00 0.00 C ATOM 1338 CG ASP A 85 8.702 2.091 -0.731 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.932 1.728 0.182 1.00 0.00 O ATOM 1340 OD2 ASP A 85 9.632 2.906 -0.560 1.00 0.00 O ATOM 0 H ASP A 85 9.088 0.659 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 85 10.222 0.264 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.839 2.233 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.431 1.361 -2.290 1.00 0.00 H new ATOM 1345 N CYS A 86 8.321 -0.836 -0.318 1.00 0.00 N ATOM 1346 CA CYS A 86 7.612 -1.851 0.454 1.00 0.00 C ATOM 1347 C CYS A 86 6.367 -1.263 1.111 1.00 0.00 C ATOM 1348 O CYS A 86 6.380 -0.127 1.587 1.00 0.00 O ATOM 1349 CB CYS A 86 8.532 -2.447 1.520 1.00 0.00 C ATOM 1350 SG CYS A 86 9.585 -3.789 0.919 1.00 0.00 S ATOM 0 H CYS A 86 8.680 -0.059 0.236 1.00 0.00 H new ATOM 0 HA CYS A 86 7.302 -2.641 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.164 -1.656 1.923 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.923 -2.819 2.344 1.00 0.00 H new ATOM 0 HG CYS A 86 10.328 -4.226 1.892 1.00 0.00 H new ATOM 1356 N LEU A 87 5.292 -2.043 1.132 1.00 0.00 N ATOM 1357 CA LEU A 87 4.037 -1.599 1.729 1.00 0.00 C ATOM 1358 C LEU A 87 3.854 -2.198 3.120 1.00 0.00 C ATOM 1359 O LEU A 87 3.753 -3.416 3.275 1.00 0.00 O ATOM 1360 CB LEU A 87 2.858 -1.989 0.835 1.00 0.00 C ATOM 1361 CG LEU A 87 2.673 -1.155 -0.433 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.544 -1.718 -1.283 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.402 0.301 -0.080 1.00 0.00 C ATOM 0 H LEU A 87 5.264 -2.985 0.743 1.00 0.00 H new ATOM 0 HA LEU A 87 4.072 -0.514 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.977 -3.033 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.944 -1.925 1.425 1.00 0.00 H new ATOM 0 HG LEU A 87 3.595 -1.202 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.427 -1.111 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.779 -2.744 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.616 -1.703 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.273 0.879 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.496 0.367 0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.243 0.701 0.486 1.00 0.00 H new ATOM 1375 N LEU A 88 3.810 -1.335 4.129 1.00 0.00 N ATOM 1376 CA LEU A 88 3.637 -1.778 5.508 1.00 0.00 C ATOM 1377 C LEU A 88 2.202 -1.554 5.975 1.00 0.00 C ATOM 1378 O LEU A 88 1.724 -0.420 6.026 1.00 0.00 O ATOM 1379 CB LEU A 88 4.607 -1.035 6.428 1.00 0.00 C ATOM 1380 CG LEU A 88 6.066 -0.994 5.973 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.775 0.215 6.562 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.783 -2.278 6.363 1.00 0.00 C ATOM 0 H LEU A 88 3.892 -0.324 4.018 1.00 0.00 H new ATOM 0 HA LEU A 88 3.851 -2.846 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.254 -0.010 6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.568 -1.498 7.414 1.00 0.00 H new ATOM 0 HG LEU A 88 6.085 -0.907 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.812 0.227 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.276 1.126 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.746 0.160 7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.820 -2.231 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.754 -2.396 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.290 -3.128 5.892 1.00 0.00 H new ATOM 1394 N VAL A 89 1.521 -2.642 6.319 1.00 0.00 N ATOM 1395 CA VAL A 89 0.142 -2.565 6.786 1.00 0.00 C ATOM 1396 C VAL A 89 0.064 -2.732 8.299 1.00 0.00 C ATOM 1397 O VAL A 89 0.200 -3.839 8.819 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.739 -3.637 6.116 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.157 -3.581 6.663 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.734 -3.461 4.605 1.00 0.00 C ATOM 0 H VAL A 89 1.902 -3.588 6.283 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.230 -1.577 6.513 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.325 -4.619 6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.764 -4.345 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.140 -3.759 7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.585 -2.598 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.361 -4.226 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.123 -2.475 4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.285 -3.556 4.231 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.156 -1.625 9.001 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.251 -1.648 10.455 1.00 0.00 C ATOM 1412 C ARG A 90 -1.531 -0.963 10.927 1.00 0.00 C ATOM 1413 O ARG A 90 -1.895 0.103 10.432 1.00 0.00 O ATOM 1414 CB ARG A 90 0.966 -0.963 11.078 1.00 0.00 C ATOM 1415 CG ARG A 90 0.954 -0.965 12.598 1.00 0.00 C ATOM 1416 CD ARG A 90 2.160 -0.232 13.166 1.00 0.00 C ATOM 1417 NE ARG A 90 2.218 -0.318 14.622 1.00 0.00 N ATOM 1418 CZ ARG A 90 1.459 0.411 15.432 1.00 0.00 C ATOM 1419 NH1 ARG A 90 0.588 1.277 14.930 1.00 0.00 N ATOM 1420 NH2 ARG A 90 1.569 0.276 16.748 1.00 0.00 N ATOM 0 H ARG A 90 -0.272 -0.701 8.586 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.277 -2.689 10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.871 -1.461 10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.013 0.067 10.725 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.039 -0.494 12.956 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.947 -1.993 12.962 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.072 -0.652 12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.122 0.815 12.866 1.00 0.00 H new ATOM 0 HE ARG A 90 2.878 -0.974 15.040 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.500 1.384 13.919 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.006 1.836 15.555 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.237 -0.388 17.138 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.985 0.837 17.369 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.208 -1.583 11.887 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.447 -1.034 12.425 1.00 0.00 C ATOM 1436 C TRP A 91 -3.410 -0.999 13.949 1.00 0.00 C ATOM 1437 O TRP A 91 -2.676 -1.761 14.579 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.644 -1.859 11.950 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.569 -3.300 12.354 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -4.991 -3.844 13.534 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.039 -4.381 11.579 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -4.755 -5.198 13.539 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.173 -5.552 12.351 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.467 -4.474 10.308 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -3.753 -6.798 11.891 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.051 -5.711 9.853 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.196 -6.860 10.643 1.00 0.00 C ATOM 0 H TRP A 91 -1.920 -2.466 12.309 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.551 -0.013 12.059 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.559 -1.423 12.352 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.711 -1.796 10.864 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.444 -3.291 14.344 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -4.977 -5.836 14.303 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.352 -3.595 9.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -3.863 -7.684 12.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.607 -5.794 8.872 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -2.862 -7.812 10.259 1.00 0.00 H new