USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 SER OG : rot 83:sc= 0.0329 USER MOD Set 2.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 30:sc= 0.173 USER MOD Single : A 5 HIS : no HD1:sc= -0.577 K(o=-0.58,f=-0.022) USER MOD Single : A 9 THR OG1 : rot -73:sc= 0.977 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 6:sc= 0.113 USER MOD Single : A 24 GLN : amide:sc= 1.01 K(o=1,f=-0.13) USER MOD Single : A 26 THR OG1 : rot -40:sc= 1.29 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.214 K(o=-0.21,f=-3.5!) USER MOD Single : A 43 THR OG1 : rot 94:sc= 0.36 USER MOD Single : A 46 SER OG : rot -167:sc= 0.2 USER MOD Single : A 51 HIS : no HD1:sc= -0.517 K(o=-0.52,f=-1) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -4.112 -12.855 -0.553 1.00 0.00 N ATOM 9 CA SER A 2 -2.745 -12.456 -0.861 1.00 0.00 C ATOM 10 C SER A 2 -2.496 -10.967 -0.642 1.00 0.00 C ATOM 11 O SER A 2 -1.487 -10.570 -0.053 1.00 0.00 O ATOM 12 CB SER A 2 -2.517 -12.822 -2.331 1.00 0.00 C ATOM 13 OG SER A 2 -2.754 -14.201 -2.558 1.00 0.00 O ATOM 0 HA SER A 2 -2.053 -12.968 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.177 -12.228 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.495 -12.574 -2.616 1.00 0.00 H new ATOM 0 HG SER A 2 -3.435 -14.523 -1.931 1.00 0.00 H new ATOM 19 N GLU A 3 -3.406 -10.142 -1.142 1.00 0.00 N ATOM 20 CA GLU A 3 -3.282 -8.701 -1.120 1.00 0.00 C ATOM 21 C GLU A 3 -3.580 -8.207 0.299 1.00 0.00 C ATOM 22 O GLU A 3 -2.810 -7.423 0.850 1.00 0.00 O ATOM 23 CB GLU A 3 -4.242 -8.121 -2.164 1.00 0.00 C ATOM 24 CG GLU A 3 -3.901 -8.455 -3.624 1.00 0.00 C ATOM 25 CD GLU A 3 -4.041 -9.929 -4.005 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.023 -10.579 -3.570 1.00 0.00 O ATOM 27 OE2 GLU A 3 -3.149 -10.450 -4.708 1.00 0.00 O ATOM 0 H GLU A 3 -4.267 -10.468 -1.582 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.274 -8.373 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.247 -8.484 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.264 -7.037 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.546 -7.865 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.876 -8.141 -3.822 1.00 0.00 H new ATOM 34 N GLU A 4 -4.643 -8.730 0.920 1.00 0.00 N ATOM 35 CA GLU A 4 -5.003 -8.448 2.317 1.00 0.00 C ATOM 36 C GLU A 4 -3.806 -8.721 3.244 1.00 0.00 C ATOM 37 O GLU A 4 -3.499 -7.940 4.142 1.00 0.00 O ATOM 38 CB GLU A 4 -6.174 -9.338 2.776 1.00 0.00 C ATOM 39 CG GLU A 4 -7.434 -9.389 1.887 1.00 0.00 C ATOM 40 CD GLU A 4 -8.398 -10.514 2.308 1.00 0.00 C ATOM 41 OE1 GLU A 4 -7.921 -11.534 2.855 1.00 0.00 O ATOM 42 OE2 GLU A 4 -9.623 -10.423 2.053 1.00 0.00 O ATOM 0 H GLU A 4 -5.289 -9.372 0.460 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.294 -7.399 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.799 -10.356 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.478 -9.005 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.952 -8.431 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.138 -9.536 0.848 1.00 0.00 H new ATOM 49 N HIS A 5 -3.103 -9.831 3.006 1.00 0.00 N ATOM 50 CA HIS A 5 -1.965 -10.275 3.798 1.00 0.00 C ATOM 51 C HIS A 5 -0.848 -9.238 3.712 1.00 0.00 C ATOM 52 O HIS A 5 -0.133 -9.028 4.693 1.00 0.00 O ATOM 53 CB HIS A 5 -1.522 -11.679 3.334 1.00 0.00 C ATOM 54 CG HIS A 5 -0.164 -12.179 3.795 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.643 -13.037 3.080 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.509 -11.867 4.948 1.00 0.00 C ATOM 57 CE1 HIS A 5 1.778 -13.216 3.773 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.753 -12.515 4.917 1.00 0.00 N ATOM 0 H HIS A 5 -3.320 -10.460 2.233 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.241 -10.362 4.849 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.274 -12.395 3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.531 -11.690 2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.145 -11.232 5.742 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.600 -13.839 3.453 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.489 -12.464 5.621 1.00 0.00 H new ATOM 66 N PHE A 6 -0.671 -8.560 2.576 1.00 0.00 N ATOM 67 CA PHE A 6 0.316 -7.498 2.501 1.00 0.00 C ATOM 68 C PHE A 6 -0.051 -6.324 3.422 1.00 0.00 C ATOM 69 O PHE A 6 0.808 -5.814 4.145 1.00 0.00 O ATOM 70 CB PHE A 6 0.516 -7.047 1.053 1.00 0.00 C ATOM 71 CG PHE A 6 1.771 -6.236 0.769 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.765 -6.018 1.742 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.969 -5.724 -0.522 1.00 0.00 C ATOM 74 CE1 PHE A 6 3.914 -5.272 1.446 1.00 0.00 C ATOM 75 CE2 PHE A 6 3.140 -5.011 -0.828 1.00 0.00 C ATOM 76 CZ PHE A 6 4.098 -4.738 0.163 1.00 0.00 C ATOM 0 H PHE A 6 -1.191 -8.728 1.714 1.00 0.00 H new ATOM 0 HA PHE A 6 1.267 -7.893 2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.529 -7.932 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.349 -6.454 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.640 -6.432 2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.219 -5.879 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.660 -5.108 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.306 -4.668 -1.839 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.961 -4.128 -0.060 1.00 0.00 H new ATOM 86 N VAL A 7 -1.316 -5.896 3.424 1.00 0.00 N ATOM 87 CA VAL A 7 -1.776 -4.831 4.317 1.00 0.00 C ATOM 88 C VAL A 7 -1.496 -5.231 5.763 1.00 0.00 C ATOM 89 O VAL A 7 -0.918 -4.455 6.532 1.00 0.00 O ATOM 90 CB VAL A 7 -3.264 -4.518 4.080 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.751 -3.394 4.999 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.503 -4.095 2.628 1.00 0.00 C ATOM 0 H VAL A 7 -2.042 -6.273 2.814 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.228 -3.913 4.103 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.821 -5.429 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.806 -3.198 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.622 -3.693 6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.173 -2.490 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.561 -3.878 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.916 -3.203 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.202 -4.902 1.960 1.00 0.00 H new ATOM 102 N GLU A 8 -1.862 -6.468 6.097 1.00 0.00 N ATOM 103 CA GLU A 8 -1.671 -7.056 7.403 1.00 0.00 C ATOM 104 C GLU A 8 -0.194 -6.976 7.794 1.00 0.00 C ATOM 105 O GLU A 8 0.134 -6.418 8.838 1.00 0.00 O ATOM 106 CB GLU A 8 -2.196 -8.496 7.384 1.00 0.00 C ATOM 107 CG GLU A 8 -2.235 -9.106 8.785 1.00 0.00 C ATOM 108 CD GLU A 8 -3.521 -8.823 9.565 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.119 -7.730 9.430 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.883 -9.706 10.379 1.00 0.00 O ATOM 0 H GLU A 8 -2.314 -7.101 5.437 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.232 -6.507 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.197 -8.512 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.562 -9.105 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.106 -10.185 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.388 -8.727 9.356 1.00 0.00 H new ATOM 117 N THR A 9 0.715 -7.494 6.965 1.00 0.00 N ATOM 118 CA THR A 9 2.113 -7.621 7.324 1.00 0.00 C ATOM 119 C THR A 9 2.748 -6.264 7.590 1.00 0.00 C ATOM 120 O THR A 9 3.488 -6.114 8.570 1.00 0.00 O ATOM 121 CB THR A 9 2.914 -8.347 6.234 1.00 0.00 C ATOM 122 OG1 THR A 9 2.398 -8.308 4.922 1.00 0.00 O ATOM 123 CG2 THR A 9 3.182 -9.802 6.598 1.00 0.00 C ATOM 0 H THR A 9 0.494 -7.834 6.029 1.00 0.00 H new ATOM 0 HA THR A 9 2.143 -8.213 8.239 1.00 0.00 H new ATOM 0 HB THR A 9 3.832 -7.761 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.617 -8.897 4.860 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.751 -10.278 5.799 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.752 -9.846 7.526 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.235 -10.325 6.729 1.00 0.00 H new ATOM 131 N VAL A 10 2.508 -5.290 6.711 1.00 0.00 N ATOM 132 CA VAL A 10 3.120 -3.981 6.865 1.00 0.00 C ATOM 133 C VAL A 10 2.586 -3.332 8.140 1.00 0.00 C ATOM 134 O VAL A 10 3.376 -2.690 8.826 1.00 0.00 O ATOM 135 CB VAL A 10 2.921 -3.120 5.609 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.490 -1.714 5.764 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.623 -3.712 4.397 1.00 0.00 C ATOM 0 H VAL A 10 1.901 -5.386 5.897 1.00 0.00 H new ATOM 0 HA VAL A 10 4.200 -4.083 6.972 1.00 0.00 H new ATOM 0 HB VAL A 10 1.840 -3.089 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.321 -1.150 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.996 -1.211 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.560 -1.774 5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.456 -3.071 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.692 -3.784 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.224 -4.706 4.195 1.00 0.00 H new ATOM 147 N SER A 11 1.324 -3.553 8.525 1.00 0.00 N ATOM 148 CA SER A 11 0.798 -3.051 9.790 1.00 0.00 C ATOM 149 C SER A 11 1.654 -3.532 10.965 1.00 0.00 C ATOM 150 O SER A 11 1.923 -2.782 11.912 1.00 0.00 O ATOM 151 CB SER A 11 -0.662 -3.493 9.940 1.00 0.00 C ATOM 152 OG SER A 11 -1.325 -2.857 11.012 1.00 0.00 O ATOM 0 H SER A 11 0.648 -4.080 7.972 1.00 0.00 H new ATOM 0 HA SER A 11 0.836 -1.962 9.792 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.196 -3.282 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.695 -4.572 10.089 1.00 0.00 H new ATOM 0 HG SER A 11 -1.649 -1.979 10.721 1.00 0.00 H new ATOM 158 N LEU A 12 2.127 -4.780 10.910 1.00 0.00 N ATOM 159 CA LEU A 12 2.891 -5.348 12.011 1.00 0.00 C ATOM 160 C LEU A 12 4.301 -4.768 12.100 1.00 0.00 C ATOM 161 O LEU A 12 4.898 -4.742 13.177 1.00 0.00 O ATOM 162 CB LEU A 12 2.976 -6.874 11.921 1.00 0.00 C ATOM 163 CG LEU A 12 1.629 -7.580 11.710 1.00 0.00 C ATOM 164 CD1 LEU A 12 1.853 -9.090 11.747 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.552 -7.227 12.739 1.00 0.00 C ATOM 0 H LEU A 12 1.993 -5.409 10.118 1.00 0.00 H new ATOM 0 HA LEU A 12 2.348 -5.077 12.916 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.642 -7.139 11.100 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.430 -7.254 12.836 1.00 0.00 H new ATOM 0 HG LEU A 12 1.258 -7.235 10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.903 -9.603 11.598 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.547 -9.374 10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.270 -9.372 12.714 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.363 -7.773 12.510 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.897 -7.501 13.736 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.354 -6.156 12.705 1.00 0.00 H new ATOM 177 N ALA A 13 4.872 -4.334 10.977 1.00 0.00 N ATOM 178 CA ALA A 13 6.133 -3.596 10.966 1.00 0.00 C ATOM 179 C ALA A 13 5.902 -2.108 11.235 1.00 0.00 C ATOM 180 O ALA A 13 6.793 -1.421 11.724 1.00 0.00 O ATOM 181 CB ALA A 13 6.811 -3.806 9.611 1.00 0.00 C ATOM 0 H ALA A 13 4.473 -4.484 10.050 1.00 0.00 H new ATOM 0 HA ALA A 13 6.779 -3.970 11.761 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.754 -3.261 9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.002 -4.868 9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.160 -3.439 8.818 1.00 0.00 H new ATOM 187 N GLY A 14 4.717 -1.593 10.917 1.00 0.00 N ATOM 188 CA GLY A 14 4.463 -0.174 10.742 1.00 0.00 C ATOM 189 C GLY A 14 5.244 0.420 9.564 1.00 0.00 C ATOM 190 O GLY A 14 5.286 1.642 9.426 1.00 0.00 O ATOM 0 H GLY A 14 3.888 -2.170 10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.396 -0.016 10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.732 0.356 11.656 1.00 0.00 H new ATOM 194 N SER A 15 5.898 -0.385 8.714 1.00 0.00 N ATOM 195 CA SER A 15 6.785 0.144 7.687 1.00 0.00 C ATOM 196 C SER A 15 7.152 -0.936 6.653 1.00 0.00 C ATOM 197 O SER A 15 6.903 -2.128 6.870 1.00 0.00 O ATOM 198 CB SER A 15 7.989 0.794 8.416 1.00 0.00 C ATOM 199 OG SER A 15 9.161 -0.002 8.446 1.00 0.00 O ATOM 0 H SER A 15 5.825 -1.402 8.723 1.00 0.00 H new ATOM 0 HA SER A 15 6.301 0.914 7.086 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.222 1.742 7.931 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.696 1.024 9.440 1.00 0.00 H new ATOM 0 HG SER A 15 9.871 0.479 8.920 1.00 0.00 H new ATOM 205 N TYR A 16 7.735 -0.542 5.516 1.00 0.00 N ATOM 206 CA TYR A 16 8.230 -1.456 4.482 1.00 0.00 C ATOM 207 C TYR A 16 9.437 -0.840 3.783 1.00 0.00 C ATOM 208 O TYR A 16 9.302 0.213 3.163 1.00 0.00 O ATOM 209 CB TYR A 16 7.139 -1.751 3.444 1.00 0.00 C ATOM 210 CG TYR A 16 7.501 -2.871 2.484 1.00 0.00 C ATOM 211 CD1 TYR A 16 8.243 -2.631 1.309 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.078 -4.178 2.771 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.545 -3.689 0.424 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.344 -5.226 1.882 1.00 0.00 C ATOM 215 CZ TYR A 16 8.092 -4.996 0.709 1.00 0.00 C ATOM 216 OH TYR A 16 8.329 -6.029 -0.142 1.00 0.00 O ATOM 0 H TYR A 16 7.879 0.441 5.284 1.00 0.00 H new ATOM 0 HA TYR A 16 8.518 -2.391 4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.217 -2.012 3.963 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.938 -0.845 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.583 -1.631 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.542 -4.377 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.121 -3.499 -0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.974 -6.218 2.096 1.00 0.00 H new ATOM 0 HH TYR A 16 7.941 -6.851 0.225 1.00 0.00 H new ATOM 226 N ARG A 17 10.589 -1.515 3.814 1.00 0.00 N ATOM 227 CA ARG A 17 11.910 -1.056 3.382 1.00 0.00 C ATOM 228 C ARG A 17 12.265 0.281 4.033 1.00 0.00 C ATOM 229 O ARG A 17 12.785 0.293 5.145 1.00 0.00 O ATOM 230 CB ARG A 17 11.970 -1.012 1.840 1.00 0.00 C ATOM 231 CG ARG A 17 11.658 -2.349 1.147 1.00 0.00 C ATOM 232 CD ARG A 17 12.915 -3.046 0.632 1.00 0.00 C ATOM 233 NE ARG A 17 13.695 -3.622 1.727 1.00 0.00 N ATOM 234 CZ ARG A 17 14.893 -4.193 1.614 1.00 0.00 C ATOM 235 NH1 ARG A 17 15.484 -4.285 0.424 1.00 0.00 N ATOM 236 NH2 ARG A 17 15.461 -4.702 2.701 1.00 0.00 N ATOM 0 H ARG A 17 10.624 -2.470 4.169 1.00 0.00 H new ATOM 0 HA ARG A 17 12.669 -1.764 3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.265 -0.260 1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.965 -0.685 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.143 -3.006 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.977 -2.173 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.635 -3.832 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.529 -2.332 0.083 1.00 0.00 H new ATOM 0 HE ARG A 17 13.285 -3.583 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.019 -3.917 -0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.402 -4.723 0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.980 -4.651 3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.378 -5.144 2.638 1.00 0.00 H new ATOM 250 N ASP A 18 11.859 1.385 3.418 1.00 0.00 N ATOM 251 CA ASP A 18 12.038 2.755 3.893 1.00 0.00 C ATOM 252 C ASP A 18 10.710 3.343 4.355 1.00 0.00 C ATOM 253 O ASP A 18 10.684 4.224 5.209 1.00 0.00 O ATOM 254 CB ASP A 18 12.561 3.630 2.742 1.00 0.00 C ATOM 255 CG ASP A 18 14.052 3.916 2.834 1.00 0.00 C ATOM 256 OD1 ASP A 18 14.846 2.952 2.918 1.00 0.00 O ATOM 257 OD2 ASP A 18 14.429 5.105 2.751 1.00 0.00 O ATOM 0 H ASP A 18 11.368 1.348 2.524 1.00 0.00 H new ATOM 0 HA ASP A 18 12.743 2.736 4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.351 3.135 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.017 4.574 2.736 1.00 0.00 H new ATOM 262 N TRP A 19 9.612 2.910 3.735 1.00 0.00 N ATOM 263 CA TRP A 19 8.316 3.555 3.765 1.00 0.00 C ATOM 264 C TRP A 19 7.635 3.326 5.103 1.00 0.00 C ATOM 265 O TRP A 19 7.887 2.332 5.780 1.00 0.00 O ATOM 266 CB TRP A 19 7.410 2.960 2.685 1.00 0.00 C ATOM 267 CG TRP A 19 7.845 3.054 1.264 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.962 2.518 0.723 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.135 3.702 0.172 1.00 0.00 C ATOM 270 NE1 TRP A 19 9.003 2.807 -0.624 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.905 3.538 -1.012 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.913 4.401 0.059 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.465 4.012 -2.248 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.468 4.896 -1.173 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.237 4.676 -2.329 1.00 0.00 C ATOM 0 H TRP A 19 9.611 2.058 3.174 1.00 0.00 H new ATOM 0 HA TRP A 19 8.473 4.621 3.598 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.264 1.905 2.918 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.436 3.442 2.766 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.707 1.951 1.262 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.752 2.516 -1.252 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.309 4.557 0.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 8.067 3.868 -3.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.539 5.444 -1.235 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.877 5.022 -3.286 1.00 0.00 H new ATOM 286 N SER A 20 6.661 4.169 5.397 1.00 0.00 N ATOM 287 CA SER A 20 5.907 4.279 6.623 1.00 0.00 C ATOM 288 C SER A 20 4.504 3.755 6.360 1.00 0.00 C ATOM 289 O SER A 20 3.875 4.216 5.415 1.00 0.00 O ATOM 290 CB SER A 20 5.836 5.774 6.948 1.00 0.00 C ATOM 291 OG SER A 20 7.031 6.232 7.552 1.00 0.00 O ATOM 0 H SER A 20 6.352 4.859 4.712 1.00 0.00 H new ATOM 0 HA SER A 20 6.358 3.718 7.441 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.650 6.338 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.995 5.963 7.615 1.00 0.00 H new ATOM 0 HG SER A 20 6.954 7.190 7.745 1.00 0.00 H new ATOM 297 N TYR A 21 3.995 2.820 7.160 1.00 0.00 N ATOM 298 CA TYR A 21 2.565 2.498 7.182 1.00 0.00 C ATOM 299 C TYR A 21 1.755 3.747 7.570 1.00 0.00 C ATOM 300 O TYR A 21 2.308 4.748 8.035 1.00 0.00 O ATOM 301 CB TYR A 21 2.367 1.326 8.154 1.00 0.00 C ATOM 302 CG TYR A 21 0.972 0.717 8.267 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.530 -0.265 7.353 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.126 1.087 9.330 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.736 -0.862 7.493 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.153 0.517 9.462 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.588 -0.462 8.545 1.00 0.00 C ATOM 308 OH TYR A 21 -2.828 -1.000 8.684 1.00 0.00 O ATOM 0 H TYR A 21 4.556 2.266 7.808 1.00 0.00 H new ATOM 0 HA TYR A 21 2.204 2.195 6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.056 0.532 7.865 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.666 1.661 9.147 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.172 -0.561 6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.463 1.816 10.052 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.055 -1.624 6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.803 0.829 10.266 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.270 -0.605 9.464 1.00 0.00 H new ATOM 318 N SER A 22 0.450 3.727 7.332 1.00 0.00 N ATOM 319 CA SER A 22 -0.510 4.762 7.662 1.00 0.00 C ATOM 320 C SER A 22 -1.789 4.063 8.143 1.00 0.00 C ATOM 321 O SER A 22 -1.809 3.517 9.241 1.00 0.00 O ATOM 322 CB SER A 22 -0.675 5.711 6.476 1.00 0.00 C ATOM 323 OG SER A 22 0.503 6.468 6.272 1.00 0.00 O ATOM 0 H SER A 22 0.008 2.931 6.872 1.00 0.00 H new ATOM 0 HA SER A 22 -0.181 5.408 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.906 5.140 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.517 6.380 6.654 1.00 0.00 H new ATOM 0 HG SER A 22 1.202 6.157 6.884 1.00 0.00 H new ATOM 329 N GLY A 23 -2.890 4.116 7.387 1.00 0.00 N ATOM 330 CA GLY A 23 -4.159 3.459 7.720 1.00 0.00 C ATOM 331 C GLY A 23 -5.321 4.449 7.725 1.00 0.00 C ATOM 332 O GLY A 23 -6.469 4.089 7.993 1.00 0.00 O ATOM 0 H GLY A 23 -2.925 4.629 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.359 2.666 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.079 2.987 8.699 1.00 0.00 H new ATOM 336 N GLN A 24 -5.047 5.699 7.358 1.00 0.00 N ATOM 337 CA GLN A 24 -6.011 6.772 7.274 1.00 0.00 C ATOM 338 C GLN A 24 -6.868 6.577 6.036 1.00 0.00 C ATOM 339 O GLN A 24 -6.391 6.739 4.915 1.00 0.00 O ATOM 340 CB GLN A 24 -5.256 8.101 7.231 1.00 0.00 C ATOM 341 CG GLN A 24 -6.192 9.307 7.109 1.00 0.00 C ATOM 342 CD GLN A 24 -7.192 9.360 8.259 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.806 9.403 9.420 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.482 9.281 7.999 1.00 0.00 N ATOM 0 H GLN A 24 -4.105 5.995 7.102 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.670 6.774 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.655 8.202 8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.565 8.095 6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.604 10.225 7.095 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.729 9.258 6.161 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.806 9.245 7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.156 9.256 8.764 1.00 0.00 H new ATOM 353 N ARG A 25 -8.130 6.204 6.220 1.00 0.00 N ATOM 354 CA ARG A 25 -9.110 6.250 5.143 1.00 0.00 C ATOM 355 C ARG A 25 -9.253 7.678 4.625 1.00 0.00 C ATOM 356 O ARG A 25 -9.280 8.626 5.406 1.00 0.00 O ATOM 357 CB ARG A 25 -10.429 5.609 5.524 1.00 0.00 C ATOM 358 CG ARG A 25 -11.025 6.200 6.787 1.00 0.00 C ATOM 359 CD ARG A 25 -10.548 5.494 8.066 1.00 0.00 C ATOM 360 NE ARG A 25 -11.658 4.823 8.759 1.00 0.00 N ATOM 361 CZ ARG A 25 -12.172 3.625 8.453 1.00 0.00 C ATOM 362 NH1 ARG A 25 -11.488 2.755 7.710 1.00 0.00 N ATOM 363 NH2 ARG A 25 -13.382 3.292 8.884 1.00 0.00 N ATOM 0 H ARG A 25 -8.498 5.865 7.109 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.741 5.640 4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.136 5.728 4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.281 4.538 5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.765 7.257 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.112 6.142 6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.780 4.763 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.088 6.222 8.734 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.076 5.317 9.547 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.559 2.998 7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.894 1.846 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.921 3.949 9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.773 2.379 8.651 1.00 0.00 H new ATOM 377 N THR A 26 -9.388 7.834 3.320 1.00 0.00 N ATOM 378 CA THR A 26 -9.666 9.103 2.659 1.00 0.00 C ATOM 379 C THR A 26 -10.826 8.848 1.691 1.00 0.00 C ATOM 380 O THR A 26 -11.478 7.800 1.778 1.00 0.00 O ATOM 381 CB THR A 26 -8.389 9.668 1.995 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.026 8.926 0.845 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.180 9.720 2.939 1.00 0.00 C ATOM 0 H THR A 26 -9.305 7.056 2.666 1.00 0.00 H new ATOM 0 HA THR A 26 -9.966 9.880 3.362 1.00 0.00 H new ATOM 0 HB THR A 26 -8.650 10.689 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.168 7.971 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.320 10.127 2.407 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.412 10.356 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.948 8.714 3.289 1.00 0.00 H new ATOM 391 N GLU A 27 -11.110 9.768 0.778 1.00 0.00 N ATOM 392 CA GLU A 27 -11.890 9.480 -0.419 1.00 0.00 C ATOM 393 C GLU A 27 -11.262 8.345 -1.238 1.00 0.00 C ATOM 394 O GLU A 27 -11.930 7.357 -1.546 1.00 0.00 O ATOM 395 CB GLU A 27 -12.052 10.738 -1.289 1.00 0.00 C ATOM 396 CG GLU A 27 -10.849 11.703 -1.346 1.00 0.00 C ATOM 397 CD GLU A 27 -10.928 12.786 -0.275 1.00 0.00 C ATOM 398 OE1 GLU A 27 -11.511 13.863 -0.528 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.454 12.548 0.859 1.00 0.00 O ATOM 0 H GLU A 27 -10.805 10.739 0.847 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.878 9.156 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.282 10.421 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.917 11.294 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.926 11.138 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.806 12.170 -2.330 1.00 0.00 H new ATOM 406 N LEU A 28 -9.974 8.458 -1.568 1.00 0.00 N ATOM 407 CA LEU A 28 -9.298 7.721 -2.646 1.00 0.00 C ATOM 408 C LEU A 28 -8.766 6.378 -2.159 1.00 0.00 C ATOM 409 O LEU A 28 -7.799 5.834 -2.695 1.00 0.00 O ATOM 410 CB LEU A 28 -8.193 8.606 -3.262 1.00 0.00 C ATOM 411 CG LEU A 28 -8.744 9.899 -3.900 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.616 10.876 -4.211 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.563 9.665 -5.170 1.00 0.00 C ATOM 0 H LEU A 28 -9.345 9.090 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.022 7.490 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.471 8.868 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.656 8.034 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.418 10.319 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.030 11.779 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.095 11.135 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.916 10.414 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.915 10.621 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.940 9.176 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.419 9.030 -4.939 1.00 0.00 H new ATOM 425 N GLY A 29 -9.407 5.854 -1.122 1.00 0.00 N ATOM 426 CA GLY A 29 -8.963 4.675 -0.417 1.00 0.00 C ATOM 427 C GLY A 29 -8.246 5.073 0.859 1.00 0.00 C ATOM 428 O GLY A 29 -8.269 6.240 1.267 1.00 0.00 O ATOM 0 H GLY A 29 -10.268 6.251 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.816 4.039 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.296 4.091 -1.052 1.00 0.00 H new ATOM 432 N VAL A 30 -7.626 4.099 1.514 1.00 0.00 N ATOM 433 CA VAL A 30 -6.885 4.312 2.742 1.00 0.00 C ATOM 434 C VAL A 30 -5.403 4.436 2.408 1.00 0.00 C ATOM 435 O VAL A 30 -4.902 3.719 1.543 1.00 0.00 O ATOM 436 CB VAL A 30 -7.237 3.198 3.744 1.00 0.00 C ATOM 437 CG1 VAL A 30 -7.200 1.801 3.147 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.332 3.177 4.967 1.00 0.00 C ATOM 0 H VAL A 30 -7.626 3.129 1.200 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.160 5.246 3.233 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.257 3.450 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.459 1.071 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.916 1.736 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.198 1.592 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.636 2.368 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.300 3.020 4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.411 4.128 5.494 1.00 0.00 H new ATOM 448 N GLU A 31 -4.712 5.357 3.081 1.00 0.00 N ATOM 449 CA GLU A 31 -3.271 5.528 2.995 1.00 0.00 C ATOM 450 C GLU A 31 -2.597 4.219 3.419 1.00 0.00 C ATOM 451 O GLU A 31 -2.807 3.721 4.533 1.00 0.00 O ATOM 452 CB GLU A 31 -2.804 6.659 3.922 1.00 0.00 C ATOM 453 CG GLU A 31 -3.263 8.067 3.525 1.00 0.00 C ATOM 454 CD GLU A 31 -2.488 9.143 4.305 1.00 0.00 C ATOM 455 OE1 GLU A 31 -2.243 8.954 5.524 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.084 10.142 3.671 1.00 0.00 O ATOM 0 H GLU A 31 -5.156 6.020 3.717 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.002 5.784 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.161 6.450 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.715 6.648 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.116 8.213 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.331 8.172 3.717 1.00 0.00 H new ATOM 463 N PHE A 32 -1.773 3.675 2.534 1.00 0.00 N ATOM 464 CA PHE A 32 -0.913 2.537 2.768 1.00 0.00 C ATOM 465 C PHE A 32 0.436 3.001 3.264 1.00 0.00 C ATOM 466 O PHE A 32 0.611 3.572 4.337 1.00 0.00 O ATOM 467 CB PHE A 32 -1.021 1.507 1.619 1.00 0.00 C ATOM 468 CG PHE A 32 -0.579 0.062 1.937 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.544 -0.459 3.257 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.182 -0.794 0.887 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.023 -1.738 3.515 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.323 -2.085 1.146 1.00 0.00 C ATOM 473 CZ PHE A 32 0.439 -2.550 2.466 1.00 0.00 C ATOM 0 H PHE A 32 -1.687 4.039 1.585 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.243 1.917 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.058 1.479 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.425 1.868 0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.923 0.136 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.267 -0.454 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.023 -2.101 4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.622 -2.719 0.325 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.876 -3.516 2.671 1.00 0.00 H new ATOM 483 N LEU A 33 1.376 2.757 2.405 1.00 0.00 N ATOM 484 CA LEU A 33 2.776 3.080 2.595 1.00 0.00 C ATOM 485 C LEU A 33 2.973 4.503 2.113 1.00 0.00 C ATOM 486 O LEU A 33 2.613 4.841 0.986 1.00 0.00 O ATOM 487 CB LEU A 33 3.762 2.133 1.892 1.00 0.00 C ATOM 488 CG LEU A 33 4.018 0.793 2.601 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.510 0.989 4.040 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.786 -0.090 2.506 1.00 0.00 C ATOM 0 H LEU A 33 1.191 2.307 1.508 1.00 0.00 H new ATOM 0 HA LEU A 33 3.003 2.963 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.388 1.927 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.715 2.650 1.777 1.00 0.00 H new ATOM 0 HG LEU A 33 4.830 0.277 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.678 0.016 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.443 1.553 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.760 1.537 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.977 -1.037 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.942 0.411 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.553 -0.278 1.458 1.00 0.00 H new ATOM 502 N LYS A 34 3.624 5.318 2.925 1.00 0.00 N ATOM 503 CA LYS A 34 4.026 6.673 2.616 1.00 0.00 C ATOM 504 C LYS A 34 5.539 6.769 2.633 1.00 0.00 C ATOM 505 O LYS A 34 6.170 6.186 3.513 1.00 0.00 O ATOM 506 CB LYS A 34 3.404 7.617 3.645 1.00 0.00 C ATOM 507 CG LYS A 34 1.968 7.952 3.230 1.00 0.00 C ATOM 508 CD LYS A 34 1.448 9.278 3.779 1.00 0.00 C ATOM 509 CE LYS A 34 2.292 10.480 3.316 1.00 0.00 C ATOM 510 NZ LYS A 34 2.811 11.257 4.458 1.00 0.00 N ATOM 0 H LYS A 34 3.899 5.034 3.865 1.00 0.00 H new ATOM 0 HA LYS A 34 3.679 6.956 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.410 7.152 4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.994 8.530 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.913 7.976 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.309 7.151 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.415 9.419 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.443 9.240 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.125 10.127 2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.686 11.127 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.374 12.058 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.016 11.615 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.410 10.646 5.050 1.00 0.00 H new ATOM 524 N ARG A 35 6.134 7.459 1.662 1.00 0.00 N ATOM 525 CA ARG A 35 7.564 7.748 1.662 1.00 0.00 C ATOM 526 C ARG A 35 7.815 8.984 0.810 1.00 0.00 C ATOM 527 O ARG A 35 7.630 8.922 -0.411 1.00 0.00 O ATOM 528 CB ARG A 35 8.340 6.550 1.091 1.00 0.00 C ATOM 529 CG ARG A 35 9.862 6.744 1.170 1.00 0.00 C ATOM 530 CD ARG A 35 10.617 5.655 0.407 1.00 0.00 C ATOM 531 NE ARG A 35 12.039 6.009 0.264 1.00 0.00 N ATOM 532 CZ ARG A 35 12.988 5.258 -0.306 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.673 4.138 -0.935 1.00 0.00 N ATOM 534 NH2 ARG A 35 14.257 5.630 -0.240 1.00 0.00 N ATOM 0 H ARG A 35 5.637 7.833 0.854 1.00 0.00 H new ATOM 0 HA ARG A 35 7.904 7.929 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.063 5.648 1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.050 6.395 0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.125 7.721 0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.175 6.739 2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.525 4.705 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.171 5.518 -0.578 1.00 0.00 H new ATOM 0 HE ARG A 35 12.328 6.914 0.635 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.699 3.840 -0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.404 3.572 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.512 6.490 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.980 5.057 -0.675 1.00 0.00 H new ATOM 548 N GLY A 36 8.307 10.065 1.406 1.00 0.00 N ATOM 549 CA GLY A 36 8.699 11.254 0.673 1.00 0.00 C ATOM 550 C GLY A 36 7.459 11.999 0.240 1.00 0.00 C ATOM 551 O GLY A 36 6.831 12.682 1.041 1.00 0.00 O ATOM 0 H GLY A 36 8.444 10.137 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.322 11.893 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.296 10.980 -0.197 1.00 0.00 H new ATOM 555 N ASP A 37 7.087 11.822 -1.018 1.00 0.00 N ATOM 556 CA ASP A 37 5.935 12.447 -1.662 1.00 0.00 C ATOM 557 C ASP A 37 4.986 11.363 -2.165 1.00 0.00 C ATOM 558 O ASP A 37 4.033 11.653 -2.882 1.00 0.00 O ATOM 559 CB ASP A 37 6.424 13.307 -2.839 1.00 0.00 C ATOM 560 CG ASP A 37 7.015 14.667 -2.480 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.967 15.111 -1.306 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.579 15.280 -3.416 1.00 0.00 O ATOM 0 H ASP A 37 7.603 11.210 -1.651 1.00 0.00 H new ATOM 0 HA ASP A 37 5.406 13.079 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.176 12.741 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.587 13.466 -3.518 1.00 0.00 H new ATOM 567 N LYS A 38 5.291 10.093 -1.895 1.00 0.00 N ATOM 568 CA LYS A 38 4.631 8.952 -2.500 1.00 0.00 C ATOM 569 C LYS A 38 3.721 8.386 -1.446 1.00 0.00 C ATOM 570 O LYS A 38 4.165 8.117 -0.329 1.00 0.00 O ATOM 571 CB LYS A 38 5.642 7.908 -2.988 1.00 0.00 C ATOM 572 CG LYS A 38 6.590 8.435 -4.071 1.00 0.00 C ATOM 573 CD LYS A 38 5.954 9.223 -5.222 1.00 0.00 C ATOM 574 CE LYS A 38 4.869 8.490 -6.013 1.00 0.00 C ATOM 575 NZ LYS A 38 4.528 9.171 -7.279 1.00 0.00 N ATOM 0 H LYS A 38 6.022 9.831 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 38 4.068 9.251 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.231 7.559 -2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.102 7.045 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.332 9.073 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.126 7.586 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.525 10.139 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.743 9.520 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.205 7.476 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.973 8.404 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.789 8.633 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.180 10.130 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.375 9.231 -7.880 1.00 0.00 H new ATOM 589 N ILE A 39 2.463 8.219 -1.816 1.00 0.00 N ATOM 590 CA ILE A 39 1.428 7.660 -0.975 1.00 0.00 C ATOM 591 C ILE A 39 0.832 6.524 -1.780 1.00 0.00 C ATOM 592 O ILE A 39 0.129 6.735 -2.772 1.00 0.00 O ATOM 593 CB ILE A 39 0.370 8.698 -0.556 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.041 9.978 -0.017 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.578 8.011 0.455 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.045 10.988 0.545 1.00 0.00 C ATOM 0 H ILE A 39 2.126 8.479 -2.743 1.00 0.00 H new ATOM 0 HA ILE A 39 1.839 7.310 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.223 9.034 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.753 9.707 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.611 10.447 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.343 8.718 0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.053 7.152 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.006 7.678 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.581 11.865 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.651 11.287 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.507 10.535 1.368 1.00 0.00 H new ATOM 608 N VAL A 40 1.108 5.309 -1.332 1.00 0.00 N ATOM 609 CA VAL A 40 0.391 4.153 -1.818 1.00 0.00 C ATOM 610 C VAL A 40 -0.925 4.198 -1.076 1.00 0.00 C ATOM 611 O VAL A 40 -0.962 4.526 0.107 1.00 0.00 O ATOM 612 CB VAL A 40 1.153 2.842 -1.500 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.425 1.544 -1.888 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.574 2.909 -2.058 1.00 0.00 C ATOM 0 H VAL A 40 1.823 5.104 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 40 0.268 4.170 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 40 1.200 2.781 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.044 0.687 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.524 1.486 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.238 1.539 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.099 1.982 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.534 3.045 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.103 3.748 -1.606 1.00 0.00 H new ATOM 624 N TYR A 41 -2.001 3.858 -1.763 1.00 0.00 N ATOM 625 CA TYR A 41 -3.291 3.617 -1.151 1.00 0.00 C ATOM 626 C TYR A 41 -3.594 2.138 -1.289 1.00 0.00 C ATOM 627 O TYR A 41 -2.974 1.450 -2.105 1.00 0.00 O ATOM 628 CB TYR A 41 -4.361 4.492 -1.807 1.00 0.00 C ATOM 629 CG TYR A 41 -4.199 5.955 -1.456 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.162 6.709 -2.037 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.056 6.549 -0.511 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.033 8.074 -1.720 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.901 7.900 -0.156 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.892 8.679 -0.768 1.00 0.00 C ATOM 635 OH TYR A 41 -3.723 9.985 -0.406 1.00 0.00 O ATOM 0 H TYR A 41 -2.001 3.740 -2.776 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.282 3.883 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.312 4.372 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.348 4.152 -1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.469 6.243 -2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.839 5.962 -0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.272 8.666 -2.207 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.552 8.343 0.583 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.402 10.232 0.256 1.00 0.00 H new ATOM 645 N HIS A 42 -4.555 1.657 -0.513 1.00 0.00 N ATOM 646 CA HIS A 42 -5.158 0.360 -0.733 1.00 0.00 C ATOM 647 C HIS A 42 -6.671 0.495 -0.580 1.00 0.00 C ATOM 648 O HIS A 42 -7.160 1.493 -0.031 1.00 0.00 O ATOM 649 CB HIS A 42 -4.491 -0.690 0.164 1.00 0.00 C ATOM 650 CG HIS A 42 -4.908 -0.717 1.615 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.053 -1.295 2.115 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.191 -0.241 2.680 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.026 -1.161 3.450 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.917 -0.513 3.842 1.00 0.00 N ATOM 0 H HIS A 42 -4.936 2.161 0.288 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.989 -0.003 -1.747 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.687 -1.674 -0.263 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.413 -0.534 0.124 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.789 -1.744 1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.234 0.257 2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.792 -1.525 4.118 1.00 0.00 H new ATOM 662 N THR A 43 -7.427 -0.472 -1.094 1.00 0.00 N ATOM 663 CA THR A 43 -8.875 -0.469 -0.957 1.00 0.00 C ATOM 664 C THR A 43 -9.268 -1.011 0.412 1.00 0.00 C ATOM 665 O THR A 43 -8.562 -1.836 0.997 1.00 0.00 O ATOM 666 CB THR A 43 -9.518 -1.252 -2.109 1.00 0.00 C ATOM 667 OG1 THR A 43 -9.000 -2.559 -2.239 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.253 -0.518 -3.421 1.00 0.00 C ATOM 0 H THR A 43 -7.056 -1.269 -1.611 1.00 0.00 H new ATOM 0 HA THR A 43 -9.250 0.553 -1.020 1.00 0.00 H new ATOM 0 HB THR A 43 -10.583 -1.325 -1.886 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.564 -3.186 -1.740 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.707 -1.069 -4.244 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.684 0.482 -3.372 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.178 -0.442 -3.585 1.00 0.00 H new ATOM 676 N LEU A 44 -10.427 -0.583 0.913 1.00 0.00 N ATOM 677 CA LEU A 44 -10.956 -1.048 2.191 1.00 0.00 C ATOM 678 C LEU A 44 -11.502 -2.473 2.115 1.00 0.00 C ATOM 679 O LEU A 44 -11.791 -3.058 3.156 1.00 0.00 O ATOM 680 CB LEU A 44 -12.076 -0.106 2.664 1.00 0.00 C ATOM 681 CG LEU A 44 -11.605 1.326 2.986 1.00 0.00 C ATOM 682 CD1 LEU A 44 -12.755 2.156 3.554 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.493 1.353 4.034 1.00 0.00 C ATOM 0 H LEU A 44 -11.024 0.096 0.442 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.127 -1.046 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.845 -0.059 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.542 -0.532 3.553 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.238 1.734 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.402 3.163 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.563 2.206 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.122 1.691 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.198 2.385 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.853 0.902 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.634 0.791 3.667 1.00 0.00 H new ATOM 695 N GLU A 45 -11.648 -3.021 0.913 1.00 0.00 N ATOM 696 CA GLU A 45 -12.336 -4.273 0.617 1.00 0.00 C ATOM 697 C GLU A 45 -11.439 -5.134 -0.279 1.00 0.00 C ATOM 698 O GLU A 45 -10.454 -4.620 -0.826 1.00 0.00 O ATOM 699 CB GLU A 45 -13.661 -3.964 -0.097 1.00 0.00 C ATOM 700 CG GLU A 45 -14.536 -2.942 0.660 1.00 0.00 C ATOM 701 CD GLU A 45 -15.703 -2.397 -0.161 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.498 -1.999 -1.334 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.814 -2.252 0.397 1.00 0.00 O ATOM 0 H GLU A 45 -11.269 -2.580 0.075 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.548 -4.815 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.448 -3.581 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.222 -4.890 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.928 -3.412 1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.910 -2.109 0.980 1.00 0.00 H new ATOM 710 N SER A 46 -11.785 -6.418 -0.440 1.00 0.00 N ATOM 711 CA SER A 46 -10.940 -7.392 -1.115 1.00 0.00 C ATOM 712 C SER A 46 -11.465 -7.803 -2.505 1.00 0.00 C ATOM 713 O SER A 46 -12.682 -7.761 -2.738 1.00 0.00 O ATOM 714 CB SER A 46 -10.639 -8.555 -0.168 1.00 0.00 C ATOM 715 OG SER A 46 -11.760 -9.184 0.414 1.00 0.00 O ATOM 0 H SER A 46 -12.666 -6.805 -0.101 1.00 0.00 H new ATOM 0 HA SER A 46 -9.986 -6.921 -1.354 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.070 -9.306 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.996 -8.189 0.633 1.00 0.00 H new ATOM 0 HG SER A 46 -11.466 -9.764 1.147 1.00 0.00 H new ATOM 721 N PRO A 47 -10.571 -8.235 -3.421 1.00 0.00 N ATOM 722 CA PRO A 47 -9.122 -8.217 -3.250 1.00 0.00 C ATOM 723 C PRO A 47 -8.616 -6.789 -3.204 1.00 0.00 C ATOM 724 O PRO A 47 -9.195 -5.890 -3.818 1.00 0.00 O ATOM 725 CB PRO A 47 -8.527 -8.966 -4.423 1.00 0.00 C ATOM 726 CG PRO A 47 -9.557 -8.740 -5.524 1.00 0.00 C ATOM 727 CD PRO A 47 -10.893 -8.594 -4.790 1.00 0.00 C ATOM 0 HA PRO A 47 -8.832 -8.690 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.548 -8.575 -4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.396 -10.025 -4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.325 -7.847 -6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.579 -9.577 -6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.511 -7.828 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.459 -9.525 -4.825 1.00 0.00 H new ATOM 735 N VAL A 48 -7.601 -6.601 -2.370 1.00 0.00 N ATOM 736 CA VAL A 48 -7.106 -5.286 -2.067 1.00 0.00 C ATOM 737 C VAL A 48 -6.319 -4.830 -3.287 1.00 0.00 C ATOM 738 O VAL A 48 -5.318 -5.440 -3.661 1.00 0.00 O ATOM 739 CB VAL A 48 -6.326 -5.303 -0.750 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.645 -3.963 -0.538 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.242 -5.614 0.445 1.00 0.00 C ATOM 0 H VAL A 48 -7.108 -7.356 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.898 -4.559 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.577 -6.092 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.091 -3.981 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.957 -3.770 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.397 -3.175 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.654 -5.618 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.019 -4.853 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.703 -6.592 0.305 1.00 0.00 H new ATOM 751 N GLU A 49 -6.813 -3.789 -3.938 1.00 0.00 N ATOM 752 CA GLU A 49 -6.072 -3.122 -4.990 1.00 0.00 C ATOM 753 C GLU A 49 -5.179 -2.099 -4.302 1.00 0.00 C ATOM 754 O GLU A 49 -5.647 -1.336 -3.455 1.00 0.00 O ATOM 755 CB GLU A 49 -7.025 -2.494 -6.015 1.00 0.00 C ATOM 756 CG GLU A 49 -7.769 -3.602 -6.773 1.00 0.00 C ATOM 757 CD GLU A 49 -8.579 -3.081 -7.961 1.00 0.00 C ATOM 758 OE1 GLU A 49 -9.377 -2.132 -7.824 1.00 0.00 O ATOM 759 OE2 GLU A 49 -8.490 -3.681 -9.060 1.00 0.00 O ATOM 0 H GLU A 49 -7.732 -3.387 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.459 -3.819 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.739 -1.842 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.465 -1.874 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.047 -4.338 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.438 -4.118 -6.084 1.00 0.00 H new ATOM 766 N PHE A 50 -3.892 -2.127 -4.633 1.00 0.00 N ATOM 767 CA PHE A 50 -2.916 -1.114 -4.284 1.00 0.00 C ATOM 768 C PHE A 50 -2.979 -0.048 -5.352 1.00 0.00 C ATOM 769 O PHE A 50 -3.068 -0.364 -6.537 1.00 0.00 O ATOM 770 CB PHE A 50 -1.510 -1.734 -4.268 1.00 0.00 C ATOM 771 CG PHE A 50 -1.463 -2.896 -3.282 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.666 -2.678 -1.904 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.443 -4.216 -3.774 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.834 -3.768 -1.027 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.632 -5.301 -2.903 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.823 -5.084 -1.529 1.00 0.00 C ATOM 0 H PHE A 50 -3.489 -2.891 -5.175 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.126 -0.697 -3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.246 -2.083 -5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.774 -0.980 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.693 -1.670 -1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.281 -4.394 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.971 -3.594 0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.630 -6.308 -3.292 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.961 -5.921 -0.861 1.00 0.00 H new ATOM 786 N HIS A 51 -2.814 1.211 -4.965 1.00 0.00 N ATOM 787 CA HIS A 51 -2.670 2.292 -5.923 1.00 0.00 C ATOM 788 C HIS A 51 -1.447 3.111 -5.540 1.00 0.00 C ATOM 789 O HIS A 51 -0.984 3.049 -4.405 1.00 0.00 O ATOM 790 CB HIS A 51 -3.912 3.184 -5.978 1.00 0.00 C ATOM 791 CG HIS A 51 -5.200 2.535 -5.548 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.966 2.864 -4.443 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.776 1.464 -6.160 1.00 0.00 C ATOM 794 CE1 HIS A 51 -6.986 1.989 -4.393 1.00 0.00 C ATOM 795 NE2 HIS A 51 -6.936 1.161 -5.449 1.00 0.00 N ATOM 0 H HIS A 51 -2.777 1.506 -3.989 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.549 1.864 -6.918 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.738 4.057 -5.349 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.032 3.546 -6.999 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.404 0.947 -7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.736 1.957 -3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.620 0.443 -5.687 1.00 0.00 H new ATOM 803 N LEU A 52 -0.940 3.911 -6.464 1.00 0.00 N ATOM 804 CA LEU A 52 0.031 4.964 -6.157 1.00 0.00 C ATOM 805 C LEU A 52 -0.233 6.151 -7.043 1.00 0.00 C ATOM 806 O LEU A 52 -0.079 6.040 -8.253 1.00 0.00 O ATOM 807 CB LEU A 52 1.471 4.481 -6.359 1.00 0.00 C ATOM 808 CG LEU A 52 2.557 5.539 -6.141 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.465 6.166 -4.752 1.00 0.00 C ATOM 810 CD2 LEU A 52 3.933 4.877 -6.296 1.00 0.00 C ATOM 0 H LEU A 52 -1.187 3.853 -7.452 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.083 5.240 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.656 3.650 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.566 4.091 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 52 2.416 6.328 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.252 6.911 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.493 6.644 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.585 5.391 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.714 5.621 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.040 4.082 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.024 4.457 -7.298 1.00 0.00 H new ATOM 822 N ASP A 53 -0.664 7.265 -6.458 1.00 0.00 N ATOM 823 CA ASP A 53 -0.743 8.571 -7.115 1.00 0.00 C ATOM 824 C ASP A 53 -1.820 8.627 -8.211 1.00 0.00 C ATOM 825 O ASP A 53 -2.275 9.703 -8.600 1.00 0.00 O ATOM 826 CB ASP A 53 0.669 8.986 -7.578 1.00 0.00 C ATOM 827 CG ASP A 53 0.808 10.458 -7.965 1.00 0.00 C ATOM 828 OD1 ASP A 53 0.025 11.294 -7.452 1.00 0.00 O ATOM 829 OD2 ASP A 53 1.775 10.797 -8.688 1.00 0.00 O ATOM 0 H ASP A 53 -0.977 7.287 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.085 9.317 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.378 8.766 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.951 8.372 -8.433 1.00 0.00 H new ATOM 834 N GLY A 54 -2.367 7.471 -8.584 1.00 0.00 N ATOM 835 CA GLY A 54 -3.398 7.267 -9.566 1.00 0.00 C ATOM 836 C GLY A 54 -3.206 5.971 -10.360 1.00 0.00 C ATOM 837 O GLY A 54 -4.139 5.557 -11.057 1.00 0.00 O ATOM 0 H GLY A 54 -2.067 6.590 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.368 7.245 -9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.412 8.112 -10.254 1.00 0.00 H new ATOM 841 N GLU A 55 -2.050 5.303 -10.279 1.00 0.00 N ATOM 842 CA GLU A 55 -1.782 4.036 -10.927 1.00 0.00 C ATOM 843 C GLU A 55 -2.211 2.935 -9.964 1.00 0.00 C ATOM 844 O GLU A 55 -1.762 2.902 -8.831 1.00 0.00 O ATOM 845 CB GLU A 55 -0.292 3.980 -11.319 1.00 0.00 C ATOM 846 CG GLU A 55 0.699 3.522 -10.237 1.00 0.00 C ATOM 847 CD GLU A 55 2.146 3.914 -10.552 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.579 5.053 -10.267 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.873 3.074 -11.131 1.00 0.00 O ATOM 0 H GLU A 55 -1.256 5.650 -9.741 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.343 3.905 -11.852 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.192 3.312 -12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.007 4.973 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.410 3.956 -9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.636 2.439 -10.128 1.00 0.00 H new ATOM 856 N VAL A 56 -3.106 2.051 -10.358 1.00 0.00 N ATOM 857 CA VAL A 56 -3.366 0.792 -9.669 1.00 0.00 C ATOM 858 C VAL A 56 -2.175 -0.147 -9.955 1.00 0.00 C ATOM 859 O VAL A 56 -1.695 -0.219 -11.090 1.00 0.00 O ATOM 860 CB VAL A 56 -4.702 0.188 -10.156 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.019 -1.134 -9.438 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.905 1.130 -9.961 1.00 0.00 C ATOM 0 H VAL A 56 -3.689 2.186 -11.184 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.460 0.943 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.558 0.020 -11.223 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.966 -1.530 -9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.224 -1.854 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.092 -0.957 -8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.810 0.644 -10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.017 1.362 -8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.740 2.052 -10.519 1.00 0.00 H new ATOM 872 N LEU A 57 -1.666 -0.841 -8.935 1.00 0.00 N ATOM 873 CA LEU A 57 -0.551 -1.795 -9.044 1.00 0.00 C ATOM 874 C LEU A 57 -1.049 -3.245 -9.142 1.00 0.00 C ATOM 875 O LEU A 57 -2.239 -3.489 -9.331 1.00 0.00 O ATOM 876 CB LEU A 57 0.431 -1.643 -7.869 1.00 0.00 C ATOM 877 CG LEU A 57 1.065 -0.257 -7.785 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.188 0.799 -7.135 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.401 -0.360 -7.067 1.00 0.00 C ATOM 0 H LEU A 57 -2.025 -0.756 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.021 -1.560 -9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.094 -1.851 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.219 -2.390 -7.965 1.00 0.00 H new ATOM 0 HG LEU A 57 1.203 0.084 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.718 1.752 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.735 0.907 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.049 0.497 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.858 0.628 -7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.245 -0.752 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.060 -1.030 -7.619 1.00 0.00 H new ATOM 891 N SER A 58 -0.142 -4.204 -8.937 1.00 0.00 N ATOM 892 CA SER A 58 -0.437 -5.492 -8.321 1.00 0.00 C ATOM 893 C SER A 58 0.401 -5.626 -7.049 1.00 0.00 C ATOM 894 O SER A 58 1.242 -4.773 -6.747 1.00 0.00 O ATOM 895 CB SER A 58 -0.186 -6.661 -9.276 1.00 0.00 C ATOM 896 OG SER A 58 -0.858 -7.827 -8.844 1.00 0.00 O ATOM 0 H SER A 58 0.838 -4.100 -9.202 1.00 0.00 H new ATOM 0 HA SER A 58 -1.498 -5.529 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.522 -6.394 -10.278 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.884 -6.858 -9.341 1.00 0.00 H new ATOM 0 HG SER A 58 -0.682 -8.558 -9.473 1.00 0.00 H new ATOM 902 N LEU A 59 0.194 -6.735 -6.343 1.00 0.00 N ATOM 903 CA LEU A 59 0.828 -7.102 -5.085 1.00 0.00 C ATOM 904 C LEU A 59 2.306 -7.316 -5.329 1.00 0.00 C ATOM 905 O LEU A 59 3.154 -6.787 -4.611 1.00 0.00 O ATOM 906 CB LEU A 59 0.155 -8.395 -4.585 1.00 0.00 C ATOM 907 CG LEU A 59 0.935 -9.251 -3.568 1.00 0.00 C ATOM 908 CD1 LEU A 59 1.274 -8.482 -2.292 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.062 -10.444 -3.186 1.00 0.00 C ATOM 0 H LEU A 59 -0.465 -7.447 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 59 0.716 -6.321 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.801 -8.126 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.064 -9.018 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 59 1.872 -9.555 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.823 -9.132 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.888 -7.616 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.354 -8.149 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.592 -11.067 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.868 -10.087 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.163 -11.031 -4.077 1.00 0.00 H new ATOM 921 N ASP A 60 2.597 -8.096 -6.366 1.00 0.00 N ATOM 922 CA ASP A 60 3.963 -8.520 -6.607 1.00 0.00 C ATOM 923 C ASP A 60 4.761 -7.315 -7.088 1.00 0.00 C ATOM 924 O ASP A 60 5.893 -7.099 -6.654 1.00 0.00 O ATOM 925 CB ASP A 60 3.970 -9.622 -7.671 1.00 0.00 C ATOM 926 CG ASP A 60 4.125 -11.046 -7.120 1.00 0.00 C ATOM 927 OD1 ASP A 60 3.971 -11.287 -5.900 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.301 -11.988 -7.926 1.00 0.00 O ATOM 0 H ASP A 60 1.914 -8.440 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 60 4.410 -8.914 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.041 -9.566 -8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.783 -9.427 -8.370 1.00 0.00 H new ATOM 933 N LYS A 61 4.144 -6.502 -7.954 1.00 0.00 N ATOM 934 CA LYS A 61 4.751 -5.294 -8.495 1.00 0.00 C ATOM 935 C LYS A 61 5.050 -4.341 -7.356 1.00 0.00 C ATOM 936 O LYS A 61 6.189 -3.901 -7.241 1.00 0.00 O ATOM 937 CB LYS A 61 3.835 -4.625 -9.542 1.00 0.00 C ATOM 938 CG LYS A 61 4.688 -4.020 -10.663 1.00 0.00 C ATOM 939 CD LYS A 61 3.925 -3.131 -11.657 1.00 0.00 C ATOM 940 CE LYS A 61 2.756 -3.879 -12.312 1.00 0.00 C ATOM 941 NZ LYS A 61 2.327 -3.242 -13.571 1.00 0.00 N ATOM 0 H LYS A 61 3.199 -6.672 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 61 5.678 -5.560 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.142 -5.358 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.234 -3.848 -9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.487 -3.431 -10.213 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.162 -4.831 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.548 -2.249 -11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.609 -2.779 -12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.051 -4.910 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.915 -3.915 -11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.536 -3.779 -13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.021 -2.267 -13.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.121 -3.231 -14.242 1.00 0.00 H new ATOM 955 N LEU A 62 4.051 -4.054 -6.509 1.00 0.00 N ATOM 956 CA LEU A 62 4.186 -3.150 -5.373 1.00 0.00 C ATOM 957 C LEU A 62 5.472 -3.445 -4.611 1.00 0.00 C ATOM 958 O LEU A 62 6.299 -2.554 -4.450 1.00 0.00 O ATOM 959 CB LEU A 62 2.952 -3.236 -4.467 1.00 0.00 C ATOM 960 CG LEU A 62 3.063 -2.384 -3.186 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.354 -0.910 -3.443 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.745 -2.426 -2.414 1.00 0.00 C ATOM 0 H LEU A 62 3.116 -4.452 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 62 4.249 -2.126 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.075 -2.916 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.789 -4.277 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 62 3.896 -2.818 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.417 -0.380 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.300 -0.813 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.553 -0.481 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.833 -1.822 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.944 -2.030 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.516 -3.456 -2.140 1.00 0.00 H new ATOM 974 N LYS A 63 5.679 -4.693 -4.189 1.00 0.00 N ATOM 975 CA LYS A 63 6.860 -5.065 -3.426 1.00 0.00 C ATOM 976 C LYS A 63 8.165 -4.709 -4.144 1.00 0.00 C ATOM 977 O LYS A 63 9.073 -4.183 -3.504 1.00 0.00 O ATOM 978 CB LYS A 63 6.801 -6.564 -3.102 1.00 0.00 C ATOM 979 CG LYS A 63 5.704 -6.846 -2.071 1.00 0.00 C ATOM 980 CD LYS A 63 5.525 -8.338 -1.812 1.00 0.00 C ATOM 981 CE LYS A 63 4.766 -8.560 -0.502 1.00 0.00 C ATOM 982 NZ LYS A 63 5.678 -8.669 0.667 1.00 0.00 N ATOM 0 H LYS A 63 5.036 -5.465 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 63 6.858 -4.488 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.608 -7.132 -4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.765 -6.897 -2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.950 -6.344 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.762 -6.424 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.980 -8.795 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.499 -8.825 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.072 -7.735 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.169 -9.469 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.119 -8.819 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.324 -9.472 0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.230 -7.792 0.760 1.00 0.00 H new ATOM 996 N SER A 64 8.250 -4.941 -5.456 1.00 0.00 N ATOM 997 CA SER A 64 9.402 -4.550 -6.262 1.00 0.00 C ATOM 998 C SER A 64 9.561 -3.029 -6.270 1.00 0.00 C ATOM 999 O SER A 64 10.679 -2.536 -6.146 1.00 0.00 O ATOM 1000 CB SER A 64 9.287 -5.073 -7.701 1.00 0.00 C ATOM 1001 OG SER A 64 9.845 -6.368 -7.841 1.00 0.00 O ATOM 0 H SER A 64 7.516 -5.408 -5.989 1.00 0.00 H new ATOM 0 HA SER A 64 10.286 -4.999 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.238 -5.096 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.793 -4.385 -8.378 1.00 0.00 H new ATOM 0 HG SER A 64 9.751 -6.666 -8.770 1.00 0.00 H new ATOM 1007 N LEU A 65 8.467 -2.279 -6.425 1.00 0.00 N ATOM 1008 CA LEU A 65 8.518 -0.826 -6.562 1.00 0.00 C ATOM 1009 C LEU A 65 9.023 -0.163 -5.289 1.00 0.00 C ATOM 1010 O LEU A 65 9.723 0.847 -5.361 1.00 0.00 O ATOM 1011 CB LEU A 65 7.143 -0.222 -6.886 1.00 0.00 C ATOM 1012 CG LEU A 65 6.377 -0.742 -8.114 1.00 0.00 C ATOM 1013 CD1 LEU A 65 5.424 0.364 -8.568 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.297 -1.168 -9.259 1.00 0.00 C ATOM 0 H LEU A 65 7.523 -2.664 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 65 9.204 -0.635 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.505 -0.366 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.275 0.853 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 65 5.830 -1.641 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.864 0.026 -9.440 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.731 0.601 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.997 1.254 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.696 -1.525 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.896 -0.316 -9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.956 -1.967 -8.919 1.00 0.00 H new ATOM 1026 N LEU A 66 8.633 -0.714 -4.137 1.00 0.00 N ATOM 1027 CA LEU A 66 8.986 -0.152 -2.836 1.00 0.00 C ATOM 1028 C LEU A 66 10.432 -0.492 -2.460 1.00 0.00 C ATOM 1029 O LEU A 66 10.966 0.092 -1.514 1.00 0.00 O ATOM 1030 CB LEU A 66 8.093 -0.746 -1.739 1.00 0.00 C ATOM 1031 CG LEU A 66 6.580 -0.526 -1.888 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.843 -1.450 -0.927 1.00 0.00 C ATOM 1033 CD2 LEU A 66 6.145 0.894 -1.591 1.00 0.00 C ATOM 0 H LEU A 66 8.065 -1.560 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 66 8.856 0.928 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.278 -1.819 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.405 -0.328 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 66 6.339 -0.738 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.768 -1.298 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.087 -2.487 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.146 -1.227 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.065 0.977 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.413 1.150 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.644 1.578 -2.277 1.00 0.00 H new ATOM 1045 N SER A 67 11.030 -1.491 -3.115 1.00 0.00 N ATOM 1046 CA SER A 67 12.314 -2.057 -2.751 1.00 0.00 C ATOM 1047 C SER A 67 13.424 -1.204 -3.330 1.00 0.00 C ATOM 1048 O SER A 67 14.198 -0.615 -2.550 1.00 0.00 O ATOM 1049 CB SER A 67 12.344 -3.513 -3.233 1.00 0.00 C ATOM 1050 OG SER A 67 13.570 -4.149 -2.904 1.00 0.00 O ATOM 0 H SER A 67 10.616 -1.935 -3.935 1.00 0.00 H new ATOM 0 HA SER A 67 12.466 -2.062 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.517 -4.062 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.197 -3.542 -4.313 1.00 0.00 H new ATOM 0 HG SER A 67 13.554 -5.075 -3.224 1.00 0.00 H new