USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 748 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 55 ASN : amide:sc= -6.08! C(o=-20!,f=-18!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -11.2! C(o=-20!,f=-16!) USER MOD Set 1.3: A 61 TYR OH : rot -8:sc= -2.31! USER MOD Set 2.1: A 44 ASN : amide:sc= 0.749 K(o=0.75,f=-4.3!) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.12 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -74:sc= 2.18 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.403 K(o=-0.4,f=-3.4!) USER MOD Single : A 20 SER OG : rot 110:sc= 0.0909 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -4.13! C(o=-4.1!,f=-4.8!) USER MOD Single : A 26 THR OG1 : rot -88:sc= 1.2 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 65:sc= 0.136 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.804 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 54 HIS : no HE2:sc= -0.434 X(o=-0.43,f=-0.82) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -170:sc= -3.95! USER MOD Single : A 81 GLN : amide:sc= -1.63! C(o=-1.6!,f=-8.3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.63) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.930 22.657 4.118 1.00 0.00 N ATOM 2 CA ALA A 1 -7.114 22.817 2.648 1.00 0.00 C ATOM 3 C ALA A 1 -8.403 22.112 2.216 1.00 0.00 C ATOM 4 O ALA A 1 -9.115 21.552 3.024 1.00 0.00 O ATOM 5 CB ALA A 1 -5.921 22.200 1.916 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.026 23.583 4.583 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.652 22.007 4.489 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.984 22.270 4.309 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.181 23.877 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.054 22.316 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.005 22.703 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.853 21.140 2.161 1.00 0.00 H new ATOM 13 N GLU A 2 -8.708 22.138 0.947 1.00 0.00 N ATOM 14 CA GLU A 2 -9.951 21.471 0.467 1.00 0.00 C ATOM 15 C GLU A 2 -9.597 20.113 -0.146 1.00 0.00 C ATOM 16 O GLU A 2 -10.322 19.581 -0.964 1.00 0.00 O ATOM 17 CB GLU A 2 -10.624 22.349 -0.591 1.00 0.00 C ATOM 18 CG GLU A 2 -11.420 23.459 0.102 1.00 0.00 C ATOM 19 CD GLU A 2 -12.642 22.855 0.794 1.00 0.00 C ATOM 20 OE1 GLU A 2 -12.482 22.329 1.883 1.00 0.00 O ATOM 21 OE2 GLU A 2 -13.718 22.929 0.224 1.00 0.00 O ATOM 0 H GLU A 2 -8.151 22.592 0.223 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.633 21.325 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.873 22.783 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.285 21.746 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.792 23.970 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.734 24.206 -0.627 1.00 0.00 H new ATOM 28 N VAL A 3 -8.487 19.551 0.245 1.00 0.00 N ATOM 29 CA VAL A 3 -8.082 18.228 -0.311 1.00 0.00 C ATOM 30 C VAL A 3 -7.762 17.268 0.838 1.00 0.00 C ATOM 31 O VAL A 3 -6.623 16.906 1.058 1.00 0.00 O ATOM 32 CB VAL A 3 -6.843 18.404 -1.187 1.00 0.00 C ATOM 33 CG1 VAL A 3 -5.705 18.991 -0.350 1.00 0.00 C ATOM 34 CG2 VAL A 3 -6.418 17.044 -1.743 1.00 0.00 C ATOM 0 H VAL A 3 -7.842 19.951 0.926 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.896 17.819 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.072 19.080 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.821 19.117 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.008 19.959 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.474 18.316 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.534 17.167 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.188 16.369 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.229 16.625 -2.339 1.00 0.00 H new ATOM 44 N ARG A 4 -8.758 16.853 1.573 1.00 0.00 N ATOM 45 CA ARG A 4 -8.509 15.918 2.706 1.00 0.00 C ATOM 46 C ARG A 4 -7.919 14.608 2.170 1.00 0.00 C ATOM 47 O ARG A 4 -8.040 14.310 0.998 1.00 0.00 O ATOM 48 CB ARG A 4 -9.828 15.627 3.424 1.00 0.00 C ATOM 49 CG ARG A 4 -9.806 16.267 4.814 1.00 0.00 C ATOM 50 CD ARG A 4 -9.690 17.786 4.678 1.00 0.00 C ATOM 51 NE ARG A 4 -10.279 18.440 5.881 1.00 0.00 N ATOM 52 CZ ARG A 4 -11.466 18.977 5.818 1.00 0.00 C ATOM 53 NH1 ARG A 4 -11.656 20.065 5.124 1.00 0.00 N ATOM 54 NH2 ARG A 4 -12.467 18.426 6.450 1.00 0.00 N ATOM 0 H ARG A 4 -9.733 17.121 1.438 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.806 16.373 3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.664 16.020 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.977 14.551 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.714 16.009 5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.967 15.878 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.644 18.073 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.207 18.122 3.779 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.753 18.468 6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.876 20.497 4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.585 20.484 5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.321 17.575 6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.395 18.846 6.400 1.00 0.00 H new ATOM 68 N PRO A 5 -7.294 13.866 3.049 1.00 0.00 N ATOM 69 CA PRO A 5 -6.668 12.577 2.701 1.00 0.00 C ATOM 70 C PRO A 5 -7.732 11.479 2.586 1.00 0.00 C ATOM 71 O PRO A 5 -8.838 11.638 3.062 1.00 0.00 O ATOM 72 CB PRO A 5 -5.724 12.307 3.876 1.00 0.00 C ATOM 73 CG PRO A 5 -6.265 13.132 5.068 1.00 0.00 C ATOM 74 CD PRO A 5 -7.154 14.241 4.472 1.00 0.00 C ATOM 0 HA PRO A 5 -6.150 12.596 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.699 11.245 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.704 12.602 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.837 12.501 5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.446 13.561 5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.123 14.286 4.970 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.694 15.223 4.582 1.00 0.00 H new ATOM 82 N PRO A 6 -7.360 10.397 1.950 1.00 0.00 N ATOM 83 CA PRO A 6 -8.260 9.249 1.744 1.00 0.00 C ATOM 84 C PRO A 6 -8.358 8.409 3.021 1.00 0.00 C ATOM 85 O PRO A 6 -7.792 8.745 4.042 1.00 0.00 O ATOM 86 CB PRO A 6 -7.579 8.457 0.625 1.00 0.00 C ATOM 87 CG PRO A 6 -6.086 8.862 0.650 1.00 0.00 C ATOM 88 CD PRO A 6 -6.010 10.218 1.376 1.00 0.00 C ATOM 0 HA PRO A 6 -9.279 9.544 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.693 7.385 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.028 8.686 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.490 8.111 1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.689 8.942 -0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.245 10.212 2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.760 11.025 0.688 1.00 0.00 H new ATOM 96 N PHE A 7 -9.069 7.317 2.968 1.00 0.00 N ATOM 97 CA PHE A 7 -9.203 6.454 4.176 1.00 0.00 C ATOM 98 C PHE A 7 -9.086 4.983 3.767 1.00 0.00 C ATOM 99 O PHE A 7 -8.504 4.179 4.467 1.00 0.00 O ATOM 100 CB PHE A 7 -10.567 6.694 4.824 1.00 0.00 C ATOM 101 CG PHE A 7 -11.649 6.126 3.940 1.00 0.00 C ATOM 102 CD1 PHE A 7 -12.207 6.912 2.925 1.00 0.00 C ATOM 103 CD2 PHE A 7 -12.094 4.813 4.132 1.00 0.00 C ATOM 104 CE1 PHE A 7 -13.210 6.386 2.102 1.00 0.00 C ATOM 105 CE2 PHE A 7 -13.097 4.286 3.309 1.00 0.00 C ATOM 106 CZ PHE A 7 -13.655 5.072 2.294 1.00 0.00 C ATOM 0 H PHE A 7 -9.563 6.984 2.140 1.00 0.00 H new ATOM 0 HA PHE A 7 -8.414 6.698 4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.602 6.225 5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.728 7.762 4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -11.863 7.925 2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -11.664 4.206 4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -13.640 6.993 1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.440 3.273 3.457 1.00 0.00 H new ATOM 0 HZ PHE A 7 -14.428 4.665 1.659 1.00 0.00 H new ATOM 116 N THR A 8 -9.637 4.625 2.639 1.00 0.00 N ATOM 117 CA THR A 8 -9.562 3.208 2.186 1.00 0.00 C ATOM 118 C THR A 8 -8.157 2.908 1.658 1.00 0.00 C ATOM 119 O THR A 8 -7.981 2.524 0.519 1.00 0.00 O ATOM 120 CB THR A 8 -10.585 2.978 1.070 1.00 0.00 C ATOM 121 OG1 THR A 8 -11.261 4.196 0.793 1.00 0.00 O ATOM 122 CG2 THR A 8 -11.597 1.920 1.514 1.00 0.00 C ATOM 0 H THR A 8 -10.137 5.255 2.011 1.00 0.00 H new ATOM 0 HA THR A 8 -9.780 2.548 3.026 1.00 0.00 H new ATOM 0 HB THR A 8 -10.073 2.633 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.898 4.388 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.325 1.757 0.719 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.077 0.986 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.111 2.262 2.412 1.00 0.00 H new ATOM 130 N TYR A 9 -7.153 3.078 2.476 1.00 0.00 N ATOM 131 CA TYR A 9 -5.763 2.797 2.015 1.00 0.00 C ATOM 132 C TYR A 9 -5.679 1.357 1.505 1.00 0.00 C ATOM 133 O TYR A 9 -4.835 1.020 0.699 1.00 0.00 O ATOM 134 CB TYR A 9 -4.784 2.977 3.180 1.00 0.00 C ATOM 135 CG TYR A 9 -4.363 4.424 3.274 1.00 0.00 C ATOM 136 CD1 TYR A 9 -3.365 4.920 2.426 1.00 0.00 C ATOM 137 CD2 TYR A 9 -4.967 5.270 4.212 1.00 0.00 C ATOM 138 CE1 TYR A 9 -2.971 6.260 2.515 1.00 0.00 C ATOM 139 CE2 TYR A 9 -4.574 6.611 4.301 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.576 7.106 3.454 1.00 0.00 C ATOM 141 OH TYR A 9 -3.187 8.428 3.541 1.00 0.00 O ATOM 0 H TYR A 9 -7.235 3.398 3.441 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.503 3.489 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.253 2.664 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.910 2.343 3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.899 4.268 1.702 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.736 4.888 4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.201 6.642 1.861 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.041 7.264 5.024 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.706 8.876 4.241 1.00 0.00 H new ATOM 151 N ALA A 10 -6.547 0.504 1.976 1.00 0.00 N ATOM 152 CA ALA A 10 -6.519 -0.916 1.525 1.00 0.00 C ATOM 153 C ALA A 10 -6.719 -0.979 0.009 1.00 0.00 C ATOM 154 O ALA A 10 -5.849 -1.407 -0.724 1.00 0.00 O ATOM 155 CB ALA A 10 -7.641 -1.692 2.217 1.00 0.00 C ATOM 0 H ALA A 10 -7.275 0.729 2.654 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.556 -1.357 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.622 -2.731 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.499 -1.651 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.603 -1.248 1.960 1.00 0.00 H new ATOM 161 N SER A 11 -7.858 -0.558 -0.467 1.00 0.00 N ATOM 162 CA SER A 11 -8.113 -0.597 -1.934 1.00 0.00 C ATOM 163 C SER A 11 -7.088 0.283 -2.654 1.00 0.00 C ATOM 164 O SER A 11 -6.772 0.068 -3.808 1.00 0.00 O ATOM 165 CB SER A 11 -9.521 -0.078 -2.220 1.00 0.00 C ATOM 166 OG SER A 11 -10.083 -0.813 -3.298 1.00 0.00 O ATOM 0 H SER A 11 -8.623 -0.189 0.097 1.00 0.00 H new ATOM 0 HA SER A 11 -8.025 -1.623 -2.291 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.145 -0.178 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.487 0.983 -2.467 1.00 0.00 H new ATOM 0 HG SER A 11 -10.987 -0.483 -3.483 1.00 0.00 H new ATOM 172 N LEU A 12 -6.566 1.273 -1.981 1.00 0.00 N ATOM 173 CA LEU A 12 -5.562 2.166 -2.627 1.00 0.00 C ATOM 174 C LEU A 12 -4.241 1.415 -2.795 1.00 0.00 C ATOM 175 O LEU A 12 -3.621 1.452 -3.840 1.00 0.00 O ATOM 176 CB LEU A 12 -5.333 3.399 -1.750 1.00 0.00 C ATOM 177 CG LEU A 12 -5.760 4.653 -2.511 1.00 0.00 C ATOM 178 CD1 LEU A 12 -4.974 4.747 -3.821 1.00 0.00 C ATOM 179 CD2 LEU A 12 -7.257 4.573 -2.819 1.00 0.00 C ATOM 0 H LEU A 12 -6.791 1.502 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.933 2.476 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.902 3.311 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.282 3.470 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.559 5.535 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.278 5.642 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.907 4.800 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.176 3.866 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.565 5.466 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.457 3.691 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.817 4.504 -1.886 1.00 0.00 H new ATOM 191 N ILE A 13 -3.800 0.738 -1.771 1.00 0.00 N ATOM 192 CA ILE A 13 -2.515 -0.009 -1.866 1.00 0.00 C ATOM 193 C ILE A 13 -2.678 -1.205 -2.810 1.00 0.00 C ATOM 194 O ILE A 13 -1.879 -1.415 -3.699 1.00 0.00 O ATOM 195 CB ILE A 13 -2.113 -0.506 -0.477 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.769 0.692 0.411 1.00 0.00 C ATOM 197 CG2 ILE A 13 -0.893 -1.420 -0.595 1.00 0.00 C ATOM 198 CD1 ILE A 13 -1.298 0.196 1.779 1.00 0.00 C ATOM 0 H ILE A 13 -4.275 0.670 -0.871 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.741 0.653 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.940 -1.061 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.990 1.293 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.642 1.335 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.607 -1.774 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.137 -2.273 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.064 -0.866 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.053 1.050 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.091 -0.387 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.414 -0.429 1.655 1.00 0.00 H new ATOM 210 N ARG A 14 -3.701 -1.994 -2.621 1.00 0.00 N ATOM 211 CA ARG A 14 -3.898 -3.174 -3.509 1.00 0.00 C ATOM 212 C ARG A 14 -3.886 -2.722 -4.975 1.00 0.00 C ATOM 213 O ARG A 14 -3.461 -3.446 -5.852 1.00 0.00 O ATOM 214 CB ARG A 14 -5.234 -3.852 -3.178 1.00 0.00 C ATOM 215 CG ARG A 14 -6.391 -3.076 -3.812 1.00 0.00 C ATOM 216 CD ARG A 14 -6.746 -3.707 -5.160 1.00 0.00 C ATOM 217 NE ARG A 14 -8.123 -4.273 -5.097 1.00 0.00 N ATOM 218 CZ ARG A 14 -8.422 -5.341 -5.786 1.00 0.00 C ATOM 219 NH1 ARG A 14 -8.328 -5.327 -7.087 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.815 -6.424 -5.171 1.00 0.00 N ATOM 0 H ARG A 14 -4.406 -1.873 -1.893 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.089 -3.887 -3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.230 -4.878 -3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.368 -3.901 -2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.258 -3.090 -3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.111 -2.031 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.685 -2.959 -5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.030 -4.491 -5.406 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.832 -3.826 -4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.021 -4.481 -7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.562 -6.162 -7.624 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.888 -6.435 -4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.049 -7.259 -5.708 1.00 0.00 H new ATOM 234 N GLN A 15 -4.350 -1.531 -5.244 1.00 0.00 N ATOM 235 CA GLN A 15 -4.365 -1.035 -6.649 1.00 0.00 C ATOM 236 C GLN A 15 -2.928 -0.864 -7.148 1.00 0.00 C ATOM 237 O GLN A 15 -2.538 -1.433 -8.147 1.00 0.00 O ATOM 238 CB GLN A 15 -5.092 0.311 -6.708 1.00 0.00 C ATOM 239 CG GLN A 15 -6.591 0.072 -6.900 1.00 0.00 C ATOM 240 CD GLN A 15 -7.101 0.914 -8.071 1.00 0.00 C ATOM 241 OE1 GLN A 15 -6.322 1.402 -8.867 1.00 0.00 O ATOM 242 NE2 GLN A 15 -8.384 1.107 -8.211 1.00 0.00 N ATOM 0 H GLN A 15 -4.719 -0.880 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.884 -1.755 -7.282 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.917 0.872 -5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.701 0.912 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.779 -0.985 -7.090 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.130 0.333 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.037 0.697 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.734 1.667 -8.988 1.00 0.00 H new ATOM 251 N ALA A 16 -2.137 -0.086 -6.459 1.00 0.00 N ATOM 252 CA ALA A 16 -0.726 0.112 -6.896 1.00 0.00 C ATOM 253 C ALA A 16 -0.070 -1.254 -7.088 1.00 0.00 C ATOM 254 O ALA A 16 0.600 -1.502 -8.071 1.00 0.00 O ATOM 255 CB ALA A 16 0.037 0.899 -5.827 1.00 0.00 C ATOM 0 H ALA A 16 -2.406 0.419 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.705 0.668 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.069 1.043 -6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.437 1.870 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.023 0.345 -4.888 1.00 0.00 H new ATOM 261 N ILE A 17 -0.269 -2.145 -6.158 1.00 0.00 N ATOM 262 CA ILE A 17 0.326 -3.505 -6.280 1.00 0.00 C ATOM 263 C ILE A 17 -0.320 -4.231 -7.461 1.00 0.00 C ATOM 264 O ILE A 17 0.351 -4.805 -8.296 1.00 0.00 O ATOM 265 CB ILE A 17 0.053 -4.283 -4.993 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.950 -3.747 -3.875 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.348 -5.767 -5.216 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.210 -3.839 -2.542 1.00 0.00 C ATOM 0 H ILE A 17 -0.821 -1.989 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 17 1.401 -3.429 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.993 -4.162 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.876 -4.321 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.226 -2.713 -4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.152 -6.319 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.291 -6.149 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.393 -5.892 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.848 -3.458 -1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.703 -3.246 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.043 -4.879 -2.338 1.00 0.00 H new ATOM 280 N LEU A 18 -1.622 -4.210 -7.534 1.00 0.00 N ATOM 281 CA LEU A 18 -2.319 -4.897 -8.655 1.00 0.00 C ATOM 282 C LEU A 18 -1.754 -4.408 -9.990 1.00 0.00 C ATOM 283 O LEU A 18 -1.875 -5.068 -11.003 1.00 0.00 O ATOM 284 CB LEU A 18 -3.816 -4.585 -8.582 1.00 0.00 C ATOM 285 CG LEU A 18 -4.579 -5.842 -8.162 1.00 0.00 C ATOM 286 CD1 LEU A 18 -4.388 -6.934 -9.216 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.043 -6.335 -6.815 1.00 0.00 C ATOM 0 H LEU A 18 -2.234 -3.745 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.166 -5.973 -8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.996 -3.782 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.173 -4.236 -9.551 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.640 -5.609 -8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.932 -7.829 -8.915 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.768 -6.584 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.328 -7.168 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.585 -7.231 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.982 -6.567 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.179 -5.558 -6.063 1.00 0.00 H new ATOM 299 N GLU A 19 -1.132 -3.261 -10.001 1.00 0.00 N ATOM 300 CA GLU A 19 -0.557 -2.741 -11.272 1.00 0.00 C ATOM 301 C GLU A 19 0.545 -3.690 -11.746 1.00 0.00 C ATOM 302 O GLU A 19 0.890 -3.728 -12.910 1.00 0.00 O ATOM 303 CB GLU A 19 0.034 -1.349 -11.037 1.00 0.00 C ATOM 304 CG GLU A 19 0.715 -0.856 -12.316 1.00 0.00 C ATOM 305 CD GLU A 19 2.227 -1.056 -12.200 1.00 0.00 C ATOM 306 OE1 GLU A 19 2.644 -1.768 -11.303 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.942 -0.493 -13.012 1.00 0.00 O ATOM 0 H GLU A 19 -0.998 -2.663 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.339 -2.676 -12.029 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.752 -0.655 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.754 -1.382 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.331 -1.401 -13.178 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.488 0.198 -12.478 1.00 0.00 H new ATOM 314 N SER A 20 1.098 -4.460 -10.850 1.00 0.00 N ATOM 315 CA SER A 20 2.176 -5.408 -11.242 1.00 0.00 C ATOM 316 C SER A 20 1.554 -6.747 -11.646 1.00 0.00 C ATOM 317 O SER A 20 0.385 -6.983 -11.412 1.00 0.00 O ATOM 318 CB SER A 20 3.120 -5.623 -10.058 1.00 0.00 C ATOM 319 OG SER A 20 2.732 -6.797 -9.356 1.00 0.00 O ATOM 0 H SER A 20 0.848 -4.473 -9.861 1.00 0.00 H new ATOM 0 HA SER A 20 2.734 -4.997 -12.083 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.147 -5.718 -10.410 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.090 -4.760 -9.392 1.00 0.00 H new ATOM 0 HG SER A 20 3.403 -7.498 -9.495 1.00 0.00 H new ATOM 325 N PRO A 21 2.361 -7.587 -12.241 1.00 0.00 N ATOM 326 CA PRO A 21 1.927 -8.920 -12.692 1.00 0.00 C ATOM 327 C PRO A 21 1.847 -9.880 -11.503 1.00 0.00 C ATOM 328 O PRO A 21 0.890 -10.612 -11.345 1.00 0.00 O ATOM 329 CB PRO A 21 3.029 -9.346 -13.666 1.00 0.00 C ATOM 330 CG PRO A 21 4.282 -8.516 -13.297 1.00 0.00 C ATOM 331 CD PRO A 21 3.781 -7.286 -12.518 1.00 0.00 C ATOM 0 HA PRO A 21 0.939 -8.920 -13.151 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.231 -10.414 -13.581 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.729 -9.160 -14.697 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.972 -9.104 -12.691 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.824 -8.213 -14.193 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.345 -7.141 -11.596 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.888 -6.373 -13.104 1.00 0.00 H new ATOM 339 N GLU A 22 2.847 -9.882 -10.666 1.00 0.00 N ATOM 340 CA GLU A 22 2.834 -10.789 -9.491 1.00 0.00 C ATOM 341 C GLU A 22 2.219 -10.063 -8.292 1.00 0.00 C ATOM 342 O GLU A 22 2.521 -10.363 -7.155 1.00 0.00 O ATOM 343 CB GLU A 22 4.265 -11.213 -9.160 1.00 0.00 C ATOM 344 CG GLU A 22 4.512 -12.623 -9.693 1.00 0.00 C ATOM 345 CD GLU A 22 3.764 -13.634 -8.823 1.00 0.00 C ATOM 346 OE1 GLU A 22 3.726 -13.436 -7.621 1.00 0.00 O ATOM 347 OE2 GLU A 22 3.238 -14.588 -9.374 1.00 0.00 O ATOM 0 H GLU A 22 3.674 -9.291 -10.748 1.00 0.00 H new ATOM 0 HA GLU A 22 2.239 -11.674 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.975 -10.515 -9.604 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.424 -11.187 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.175 -12.697 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.580 -12.843 -9.689 1.00 0.00 H new ATOM 354 N LYS A 23 1.352 -9.118 -8.547 1.00 0.00 N ATOM 355 CA LYS A 23 0.695 -8.363 -7.447 1.00 0.00 C ATOM 356 C LYS A 23 1.673 -8.124 -6.291 1.00 0.00 C ATOM 357 O LYS A 23 1.315 -8.208 -5.135 1.00 0.00 O ATOM 358 CB LYS A 23 -0.536 -9.148 -6.976 1.00 0.00 C ATOM 359 CG LYS A 23 -0.162 -10.151 -5.876 1.00 0.00 C ATOM 360 CD LYS A 23 -0.841 -11.494 -6.158 1.00 0.00 C ATOM 361 CE LYS A 23 0.223 -12.547 -6.471 1.00 0.00 C ATOM 362 NZ LYS A 23 -0.261 -13.429 -7.571 1.00 0.00 N ATOM 0 H LYS A 23 1.070 -8.836 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 23 0.381 -7.385 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.291 -8.457 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.979 -9.677 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.920 -10.279 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.472 -9.772 -4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.432 -11.803 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.530 -11.396 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.155 -12.063 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.436 -13.140 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.462 -14.146 -7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.140 -13.901 -7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.443 -12.857 -8.420 1.00 0.00 H new ATOM 376 N GLN A 24 2.904 -7.814 -6.596 1.00 0.00 N ATOM 377 CA GLN A 24 3.903 -7.558 -5.518 1.00 0.00 C ATOM 378 C GLN A 24 4.469 -6.155 -5.678 1.00 0.00 C ATOM 379 O GLN A 24 4.427 -5.579 -6.747 1.00 0.00 O ATOM 380 CB GLN A 24 5.042 -8.574 -5.617 1.00 0.00 C ATOM 381 CG GLN A 24 5.260 -8.956 -7.084 1.00 0.00 C ATOM 382 CD GLN A 24 6.465 -9.891 -7.196 1.00 0.00 C ATOM 383 OE1 GLN A 24 6.369 -11.063 -6.890 1.00 0.00 O ATOM 384 NE2 GLN A 24 7.604 -9.420 -7.625 1.00 0.00 N ATOM 0 H GLN A 24 3.262 -7.727 -7.547 1.00 0.00 H new ATOM 0 HA GLN A 24 3.417 -7.652 -4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.957 -8.152 -5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.804 -9.461 -5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.370 -9.445 -7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.425 -8.060 -7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.685 -8.436 -7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.413 -10.036 -7.703 1.00 0.00 H new ATOM 393 N LEU A 25 4.999 -5.591 -4.629 1.00 0.00 N ATOM 394 CA LEU A 25 5.554 -4.229 -4.758 1.00 0.00 C ATOM 395 C LEU A 25 6.634 -3.972 -3.706 1.00 0.00 C ATOM 396 O LEU A 25 6.407 -4.107 -2.523 1.00 0.00 O ATOM 397 CB LEU A 25 4.432 -3.205 -4.602 1.00 0.00 C ATOM 398 CG LEU A 25 3.998 -2.687 -5.978 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.043 -1.506 -5.802 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.226 -2.229 -6.770 1.00 0.00 C ATOM 0 H LEU A 25 5.069 -6.012 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 25 6.009 -4.135 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.583 -3.659 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.770 -2.375 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 25 3.495 -3.488 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.735 -1.138 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.165 -1.828 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.548 -0.708 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.912 -1.862 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.732 -1.430 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.909 -3.068 -6.900 1.00 0.00 H new ATOM 412 N THR A 26 7.809 -3.595 -4.131 1.00 0.00 N ATOM 413 CA THR A 26 8.903 -3.323 -3.156 1.00 0.00 C ATOM 414 C THR A 26 8.558 -2.074 -2.340 1.00 0.00 C ATOM 415 O THR A 26 7.793 -1.234 -2.767 1.00 0.00 O ATOM 416 CB THR A 26 10.217 -3.093 -3.910 1.00 0.00 C ATOM 417 OG1 THR A 26 10.035 -2.064 -4.871 1.00 0.00 O ATOM 418 CG2 THR A 26 10.637 -4.384 -4.615 1.00 0.00 C ATOM 0 H THR A 26 8.059 -3.464 -5.111 1.00 0.00 H new ATOM 0 HA THR A 26 9.014 -4.177 -2.487 1.00 0.00 H new ATOM 0 HB THR A 26 10.994 -2.799 -3.204 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.706 -2.453 -5.708 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.572 -4.218 -5.151 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.777 -5.173 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.862 -4.682 -5.321 1.00 0.00 H new ATOM 426 N LEU A 27 9.118 -1.948 -1.167 1.00 0.00 N ATOM 427 CA LEU A 27 8.823 -0.755 -0.324 1.00 0.00 C ATOM 428 C LEU A 27 9.106 0.517 -1.123 1.00 0.00 C ATOM 429 O LEU A 27 8.341 1.462 -1.098 1.00 0.00 O ATOM 430 CB LEU A 27 9.716 -0.780 0.919 1.00 0.00 C ATOM 431 CG LEU A 27 8.925 -1.323 2.109 1.00 0.00 C ATOM 432 CD1 LEU A 27 9.892 -1.705 3.231 1.00 0.00 C ATOM 433 CD2 LEU A 27 7.959 -0.248 2.614 1.00 0.00 C ATOM 0 H LEU A 27 9.767 -2.620 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 27 7.775 -0.772 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.592 -1.403 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.079 0.224 1.139 1.00 0.00 H new ATOM 0 HG LEU A 27 8.360 -2.202 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.329 -2.092 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.581 -2.470 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.456 -0.825 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.395 -0.635 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.523 0.631 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.270 0.026 1.815 1.00 0.00 H new ATOM 445 N ASN A 28 10.201 0.550 -1.831 1.00 0.00 N ATOM 446 CA ASN A 28 10.539 1.760 -2.629 1.00 0.00 C ATOM 447 C ASN A 28 9.400 2.067 -3.606 1.00 0.00 C ATOM 448 O ASN A 28 8.977 3.197 -3.745 1.00 0.00 O ATOM 449 CB ASN A 28 11.830 1.508 -3.413 1.00 0.00 C ATOM 450 CG ASN A 28 13.037 1.706 -2.491 1.00 0.00 C ATOM 451 OD1 ASN A 28 13.682 0.752 -2.102 1.00 0.00 O ATOM 452 ND2 ASN A 28 13.371 2.912 -2.123 1.00 0.00 N ATOM 0 H ASN A 28 10.877 -0.211 -1.891 1.00 0.00 H new ATOM 0 HA ASN A 28 10.678 2.608 -1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.830 0.496 -3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.892 2.190 -4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.173 3.054 -1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.830 3.713 -2.449 1.00 0.00 H new ATOM 459 N GLU A 29 8.902 1.071 -4.286 1.00 0.00 N ATOM 460 CA GLU A 29 7.793 1.309 -5.254 1.00 0.00 C ATOM 461 C GLU A 29 6.579 1.876 -4.515 1.00 0.00 C ATOM 462 O GLU A 29 6.057 2.915 -4.868 1.00 0.00 O ATOM 463 CB GLU A 29 7.411 -0.011 -5.926 1.00 0.00 C ATOM 464 CG GLU A 29 7.941 -0.027 -7.361 1.00 0.00 C ATOM 465 CD GLU A 29 8.556 -1.395 -7.661 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.448 -2.270 -6.818 1.00 0.00 O ATOM 467 OE2 GLU A 29 9.124 -1.545 -8.731 1.00 0.00 O ATOM 0 H GLU A 29 9.215 0.103 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 29 8.120 2.022 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.824 -0.849 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.328 -0.131 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.132 0.182 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.687 0.756 -7.493 1.00 0.00 H new ATOM 474 N ILE A 30 6.126 1.205 -3.492 1.00 0.00 N ATOM 475 CA ILE A 30 4.950 1.709 -2.733 1.00 0.00 C ATOM 476 C ILE A 30 5.157 3.193 -2.431 1.00 0.00 C ATOM 477 O ILE A 30 4.250 3.995 -2.535 1.00 0.00 O ATOM 478 CB ILE A 30 4.816 0.933 -1.419 1.00 0.00 C ATOM 479 CG1 ILE A 30 4.356 -0.497 -1.715 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.787 1.622 -0.522 1.00 0.00 C ATOM 481 CD1 ILE A 30 4.600 -1.377 -0.488 1.00 0.00 C ATOM 0 H ILE A 30 6.521 0.329 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 30 4.043 1.573 -3.323 1.00 0.00 H new ATOM 0 HB ILE A 30 5.781 0.908 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.298 -0.503 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.898 -0.894 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.692 1.070 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.113 2.640 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.822 1.648 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.272 -2.395 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.663 -1.380 -0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.038 -0.984 0.359 1.00 0.00 H new ATOM 493 N TYR A 31 6.352 3.559 -2.063 1.00 0.00 N ATOM 494 CA TYR A 31 6.640 4.989 -1.753 1.00 0.00 C ATOM 495 C TYR A 31 6.643 5.805 -3.050 1.00 0.00 C ATOM 496 O TYR A 31 6.193 6.932 -3.089 1.00 0.00 O ATOM 497 CB TYR A 31 8.017 5.088 -1.089 1.00 0.00 C ATOM 498 CG TYR A 31 8.007 6.163 -0.026 1.00 0.00 C ATOM 499 CD1 TYR A 31 7.306 7.358 -0.240 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.704 5.967 1.172 1.00 0.00 C ATOM 501 CE1 TYR A 31 7.304 8.354 0.745 1.00 0.00 C ATOM 502 CE2 TYR A 31 8.703 6.964 2.155 1.00 0.00 C ATOM 503 CZ TYR A 31 8.003 8.156 1.942 1.00 0.00 C ATOM 504 OH TYR A 31 8.002 9.139 2.912 1.00 0.00 O ATOM 0 H TYR A 31 7.146 2.927 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 31 5.875 5.380 -1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.285 4.129 -0.645 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.775 5.315 -1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.768 7.511 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.243 5.046 1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.763 9.274 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.243 6.813 3.078 1.00 0.00 H new ATOM 0 HH TYR A 31 7.092 9.258 3.256 1.00 0.00 H new ATOM 514 N ASN A 32 7.163 5.246 -4.108 1.00 0.00 N ATOM 515 CA ASN A 32 7.216 5.987 -5.400 1.00 0.00 C ATOM 516 C ASN A 32 5.805 6.351 -5.879 1.00 0.00 C ATOM 517 O ASN A 32 5.506 7.504 -6.117 1.00 0.00 O ATOM 518 CB ASN A 32 7.896 5.112 -6.455 1.00 0.00 C ATOM 519 CG ASN A 32 8.922 5.946 -7.226 1.00 0.00 C ATOM 520 OD1 ASN A 32 8.583 6.625 -8.174 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.173 5.925 -6.854 1.00 0.00 N ATOM 0 H ASN A 32 7.555 4.305 -4.133 1.00 0.00 H new ATOM 0 HA ASN A 32 7.781 6.907 -5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.386 4.263 -5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.152 4.706 -7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.865 6.479 -7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.459 5.355 -6.058 1.00 0.00 H new ATOM 528 N TRP A 33 4.942 5.385 -6.047 1.00 0.00 N ATOM 529 CA TRP A 33 3.569 5.699 -6.538 1.00 0.00 C ATOM 530 C TRP A 33 2.810 6.550 -5.510 1.00 0.00 C ATOM 531 O TRP A 33 2.108 7.478 -5.861 1.00 0.00 O ATOM 532 CB TRP A 33 2.806 4.397 -6.819 1.00 0.00 C ATOM 533 CG TRP A 33 2.222 3.850 -5.555 1.00 0.00 C ATOM 534 CD1 TRP A 33 2.894 3.111 -4.645 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.860 3.983 -5.050 1.00 0.00 C ATOM 536 NE1 TRP A 33 2.033 2.780 -3.614 1.00 0.00 N ATOM 537 CE2 TRP A 33 0.768 3.295 -3.817 1.00 0.00 C ATOM 538 CE3 TRP A 33 -0.292 4.626 -5.536 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -0.424 3.246 -3.092 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.493 4.579 -4.810 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.559 3.890 -3.590 1.00 0.00 C ATOM 0 H TRP A 33 5.127 4.398 -5.867 1.00 0.00 H new ATOM 0 HA TRP A 33 3.649 6.271 -7.463 1.00 0.00 H new ATOM 0 HB2 TRP A 33 2.013 4.582 -7.543 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.478 3.663 -7.264 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.933 2.825 -4.712 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.300 2.223 -2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.253 5.160 -6.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -0.468 2.714 -2.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.372 5.077 -5.193 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.486 3.857 -3.037 1.00 0.00 H new ATOM 552 N PHE A 34 2.938 6.244 -4.248 1.00 0.00 N ATOM 553 CA PHE A 34 2.214 7.040 -3.213 1.00 0.00 C ATOM 554 C PHE A 34 2.447 8.535 -3.447 1.00 0.00 C ATOM 555 O PHE A 34 1.518 9.292 -3.644 1.00 0.00 O ATOM 556 CB PHE A 34 2.728 6.653 -1.824 1.00 0.00 C ATOM 557 CG PHE A 34 1.666 5.865 -1.091 1.00 0.00 C ATOM 558 CD1 PHE A 34 0.448 6.469 -0.759 1.00 0.00 C ATOM 559 CD2 PHE A 34 1.900 4.528 -0.744 1.00 0.00 C ATOM 560 CE1 PHE A 34 -0.535 5.739 -0.079 1.00 0.00 C ATOM 561 CE2 PHE A 34 0.918 3.798 -0.066 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.300 4.403 0.266 1.00 0.00 C ATOM 0 H PHE A 34 3.510 5.480 -3.888 1.00 0.00 H new ATOM 0 HA PHE A 34 1.146 6.831 -3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.638 6.060 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.986 7.548 -1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.266 7.499 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.839 4.061 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.474 6.207 0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.100 2.767 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.058 3.839 0.788 1.00 0.00 H new ATOM 572 N THR A 35 3.675 8.969 -3.414 1.00 0.00 N ATOM 573 CA THR A 35 3.960 10.420 -3.618 1.00 0.00 C ATOM 574 C THR A 35 3.696 10.817 -5.074 1.00 0.00 C ATOM 575 O THR A 35 3.053 11.811 -5.347 1.00 0.00 O ATOM 576 CB THR A 35 5.424 10.703 -3.272 1.00 0.00 C ATOM 577 OG1 THR A 35 5.640 10.446 -1.892 1.00 0.00 O ATOM 578 CG2 THR A 35 5.749 12.165 -3.578 1.00 0.00 C ATOM 0 H THR A 35 4.495 8.384 -3.255 1.00 0.00 H new ATOM 0 HA THR A 35 3.306 11.003 -2.970 1.00 0.00 H new ATOM 0 HB THR A 35 6.070 10.058 -3.868 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.577 10.625 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.792 12.365 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.583 12.361 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.105 12.813 -2.984 1.00 0.00 H new ATOM 586 N ARG A 36 4.197 10.060 -6.012 1.00 0.00 N ATOM 587 CA ARG A 36 3.984 10.410 -7.449 1.00 0.00 C ATOM 588 C ARG A 36 2.497 10.666 -7.716 1.00 0.00 C ATOM 589 O ARG A 36 2.133 11.596 -8.407 1.00 0.00 O ATOM 590 CB ARG A 36 4.468 9.259 -8.333 1.00 0.00 C ATOM 591 CG ARG A 36 4.927 9.811 -9.685 1.00 0.00 C ATOM 592 CD ARG A 36 5.174 8.654 -10.656 1.00 0.00 C ATOM 593 NE ARG A 36 4.211 7.551 -10.373 1.00 0.00 N ATOM 594 CZ ARG A 36 3.243 7.298 -11.211 1.00 0.00 C ATOM 595 NH1 ARG A 36 2.366 8.223 -11.493 1.00 0.00 N ATOM 596 NH2 ARG A 36 3.152 6.121 -11.767 1.00 0.00 N ATOM 0 H ARG A 36 4.744 9.215 -5.848 1.00 0.00 H new ATOM 0 HA ARG A 36 4.548 11.314 -7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.289 8.733 -7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.666 8.535 -8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.171 10.484 -10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.839 10.395 -9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.058 8.997 -11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.197 8.292 -10.554 1.00 0.00 H new ATOM 0 HE ARG A 36 4.309 6.994 -9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.438 9.143 -11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.609 8.026 -12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.837 5.399 -11.547 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.395 5.923 -12.422 1.00 0.00 H new ATOM 610 N MET A 37 1.635 9.840 -7.187 1.00 0.00 N ATOM 611 CA MET A 37 0.176 10.027 -7.425 1.00 0.00 C ATOM 612 C MET A 37 -0.367 11.149 -6.534 1.00 0.00 C ATOM 613 O MET A 37 -1.061 12.034 -6.995 1.00 0.00 O ATOM 614 CB MET A 37 -0.559 8.724 -7.110 1.00 0.00 C ATOM 615 CG MET A 37 -1.826 8.635 -7.960 1.00 0.00 C ATOM 616 SD MET A 37 -2.003 6.954 -8.604 1.00 0.00 S ATOM 617 CE MET A 37 -1.763 7.358 -10.350 1.00 0.00 C ATOM 0 H MET A 37 1.879 9.043 -6.600 1.00 0.00 H new ATOM 0 HA MET A 37 0.017 10.298 -8.469 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.088 7.871 -7.313 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.815 8.685 -6.051 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.698 8.900 -7.362 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.775 9.348 -8.783 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.833 6.449 -10.947 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.532 8.062 -10.670 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.780 7.808 -10.488 1.00 0.00 H new ATOM 627 N PHE A 38 -0.069 11.124 -5.263 1.00 0.00 N ATOM 628 CA PHE A 38 -0.585 12.197 -4.364 1.00 0.00 C ATOM 629 C PHE A 38 0.572 13.098 -3.920 1.00 0.00 C ATOM 630 O PHE A 38 1.277 12.777 -2.985 1.00 0.00 O ATOM 631 CB PHE A 38 -1.236 11.584 -3.118 1.00 0.00 C ATOM 632 CG PHE A 38 -1.647 10.154 -3.380 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.359 9.833 -4.538 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.322 9.153 -2.458 1.00 0.00 C ATOM 635 CE1 PHE A 38 -2.751 8.511 -4.776 1.00 0.00 C ATOM 636 CE2 PHE A 38 -1.709 7.830 -2.697 1.00 0.00 C ATOM 637 CZ PHE A 38 -2.425 7.508 -3.855 1.00 0.00 C ATOM 0 H PHE A 38 0.505 10.413 -4.810 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.326 12.779 -4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.538 11.620 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.108 12.172 -2.831 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.607 10.606 -5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.773 9.402 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.305 8.264 -5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.455 7.057 -1.987 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.726 6.487 -4.038 1.00 0.00 H new ATOM 647 N PRO A 39 0.727 14.208 -4.599 1.00 0.00 N ATOM 648 CA PRO A 39 1.785 15.184 -4.286 1.00 0.00 C ATOM 649 C PRO A 39 1.381 16.023 -3.071 1.00 0.00 C ATOM 650 O PRO A 39 2.080 16.933 -2.671 1.00 0.00 O ATOM 651 CB PRO A 39 1.858 16.050 -5.547 1.00 0.00 C ATOM 652 CG PRO A 39 0.492 15.901 -6.257 1.00 0.00 C ATOM 653 CD PRO A 39 -0.134 14.593 -5.736 1.00 0.00 C ATOM 0 HA PRO A 39 2.741 14.723 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.052 17.092 -5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.671 15.724 -6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.153 16.753 -6.040 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.619 15.866 -7.339 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.167 14.743 -5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.145 13.822 -6.506 1.00 0.00 H new ATOM 661 N TYR A 40 0.254 15.725 -2.482 1.00 0.00 N ATOM 662 CA TYR A 40 -0.199 16.506 -1.297 1.00 0.00 C ATOM 663 C TYR A 40 -0.005 15.671 -0.029 1.00 0.00 C ATOM 664 O TYR A 40 0.237 16.196 1.039 1.00 0.00 O ATOM 665 CB TYR A 40 -1.680 16.854 -1.453 1.00 0.00 C ATOM 666 CG TYR A 40 -2.504 15.593 -1.345 1.00 0.00 C ATOM 667 CD1 TYR A 40 -2.738 15.014 -0.092 1.00 0.00 C ATOM 668 CD2 TYR A 40 -3.032 15.001 -2.499 1.00 0.00 C ATOM 669 CE1 TYR A 40 -3.499 13.844 0.008 1.00 0.00 C ATOM 670 CE2 TYR A 40 -3.792 13.830 -2.398 1.00 0.00 C ATOM 671 CZ TYR A 40 -4.026 13.252 -1.146 1.00 0.00 C ATOM 672 OH TYR A 40 -4.776 12.097 -1.048 1.00 0.00 O ATOM 0 H TYR A 40 -0.372 14.974 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 40 0.386 17.423 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.981 17.566 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.853 17.334 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.331 15.471 0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.853 15.448 -3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.680 13.398 0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.198 13.372 -3.288 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.067 11.819 -1.942 1.00 0.00 H new ATOM 682 N PHE A 41 -0.114 14.376 -0.140 1.00 0.00 N ATOM 683 CA PHE A 41 0.058 13.511 1.060 1.00 0.00 C ATOM 684 C PHE A 41 1.546 13.170 1.233 1.00 0.00 C ATOM 685 O PHE A 41 1.915 12.351 2.050 1.00 0.00 O ATOM 686 CB PHE A 41 -0.811 12.246 0.893 1.00 0.00 C ATOM 687 CG PHE A 41 0.025 10.985 0.801 1.00 0.00 C ATOM 688 CD1 PHE A 41 0.803 10.734 -0.337 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.008 10.061 1.851 1.00 0.00 C ATOM 690 CE1 PHE A 41 1.560 9.565 -0.423 1.00 0.00 C ATOM 691 CE2 PHE A 41 0.766 8.887 1.764 1.00 0.00 C ATOM 692 CZ PHE A 41 1.542 8.639 0.627 1.00 0.00 C ATOM 0 H PHE A 41 -0.314 13.880 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.268 14.029 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.497 12.164 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.421 12.342 -0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.817 11.446 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.590 10.253 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.160 9.374 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.752 8.173 2.574 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.127 7.734 0.559 1.00 0.00 H new ATOM 702 N ARG A 42 2.400 13.806 0.477 1.00 0.00 N ATOM 703 CA ARG A 42 3.858 13.531 0.607 1.00 0.00 C ATOM 704 C ARG A 42 4.482 14.578 1.532 1.00 0.00 C ATOM 705 O ARG A 42 5.580 15.046 1.309 1.00 0.00 O ATOM 706 CB ARG A 42 4.519 13.608 -0.772 1.00 0.00 C ATOM 707 CG ARG A 42 3.941 14.791 -1.552 1.00 0.00 C ATOM 708 CD ARG A 42 4.933 15.229 -2.631 1.00 0.00 C ATOM 709 NE ARG A 42 5.491 16.566 -2.279 1.00 0.00 N ATOM 710 CZ ARG A 42 6.783 16.735 -2.207 1.00 0.00 C ATOM 711 NH1 ARG A 42 7.510 15.923 -1.490 1.00 0.00 N ATOM 712 NH2 ARG A 42 7.350 17.717 -2.854 1.00 0.00 N ATOM 0 H ARG A 42 2.150 14.503 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 42 4.009 12.535 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.598 13.723 -0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.350 12.681 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.992 14.509 -2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.735 15.620 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.738 14.499 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.436 15.274 -3.600 1.00 0.00 H new ATOM 0 HE ARG A 42 4.863 17.348 -2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.069 15.155 -0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.520 16.056 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.783 18.352 -3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.360 17.849 -2.798 1.00 0.00 H new ATOM 726 N ARG A 43 3.781 14.951 2.571 1.00 0.00 N ATOM 727 CA ARG A 43 4.324 15.971 3.512 1.00 0.00 C ATOM 728 C ARG A 43 4.376 15.390 4.928 1.00 0.00 C ATOM 729 O ARG A 43 5.353 14.785 5.326 1.00 0.00 O ATOM 730 CB ARG A 43 3.420 17.206 3.503 1.00 0.00 C ATOM 731 CG ARG A 43 3.902 18.184 2.429 1.00 0.00 C ATOM 732 CD ARG A 43 3.525 19.611 2.831 1.00 0.00 C ATOM 733 NE ARG A 43 3.134 20.383 1.618 1.00 0.00 N ATOM 734 CZ ARG A 43 2.338 21.412 1.728 1.00 0.00 C ATOM 735 NH1 ARG A 43 2.164 21.980 2.890 1.00 0.00 N ATOM 736 NH2 ARG A 43 1.717 21.873 0.677 1.00 0.00 N ATOM 0 H ARG A 43 2.856 14.592 2.807 1.00 0.00 H new ATOM 0 HA ARG A 43 5.330 16.251 3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.389 16.913 3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.434 17.687 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.982 18.103 2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.453 17.935 1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.701 19.593 3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.366 20.095 3.327 1.00 0.00 H new ATOM 0 HE ARG A 43 3.488 20.108 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.650 21.620 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.542 22.784 2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.853 21.429 -0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.095 22.677 0.764 1.00 0.00 H new ATOM 750 N ASN A 44 3.333 15.569 5.694 1.00 0.00 N ATOM 751 CA ASN A 44 3.326 15.029 7.084 1.00 0.00 C ATOM 752 C ASN A 44 3.298 13.500 7.036 1.00 0.00 C ATOM 753 O ASN A 44 2.283 12.880 7.287 1.00 0.00 O ATOM 754 CB ASN A 44 2.091 15.541 7.828 1.00 0.00 C ATOM 755 CG ASN A 44 0.861 15.425 6.925 1.00 0.00 C ATOM 756 OD1 ASN A 44 0.758 16.112 5.928 1.00 0.00 O ATOM 757 ND2 ASN A 44 -0.083 14.578 7.234 1.00 0.00 N ATOM 0 H ASN A 44 2.486 16.066 5.417 1.00 0.00 H new ATOM 0 HA ASN A 44 4.224 15.360 7.606 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.940 14.965 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.239 16.579 8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.907 14.493 6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.003 14.001 8.071 1.00 0.00 H new ATOM 764 N ALA A 45 4.404 12.890 6.713 1.00 0.00 N ATOM 765 CA ALA A 45 4.445 11.404 6.646 1.00 0.00 C ATOM 766 C ALA A 45 4.166 10.818 8.031 1.00 0.00 C ATOM 767 O ALA A 45 3.746 9.688 8.164 1.00 0.00 O ATOM 768 CB ALA A 45 5.828 10.953 6.169 1.00 0.00 C ATOM 0 H ALA A 45 5.283 13.358 6.492 1.00 0.00 H new ATOM 0 HA ALA A 45 3.686 11.053 5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.859 9.865 6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.025 11.367 5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.587 11.306 6.867 1.00 0.00 H new ATOM 774 N ALA A 46 4.399 11.577 9.063 1.00 0.00 N ATOM 775 CA ALA A 46 4.152 11.059 10.435 1.00 0.00 C ATOM 776 C ALA A 46 2.754 10.446 10.520 1.00 0.00 C ATOM 777 O ALA A 46 2.557 9.405 11.118 1.00 0.00 O ATOM 778 CB ALA A 46 4.265 12.206 11.442 1.00 0.00 C ATOM 0 H ALA A 46 4.750 12.534 9.016 1.00 0.00 H new ATOM 0 HA ALA A 46 4.893 10.293 10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.084 11.826 12.448 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.265 12.637 11.391 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.527 12.972 11.205 1.00 0.00 H new ATOM 784 N THR A 47 1.775 11.092 9.953 1.00 0.00 N ATOM 785 CA THR A 47 0.385 10.559 10.031 1.00 0.00 C ATOM 786 C THR A 47 0.146 9.411 9.033 1.00 0.00 C ATOM 787 O THR A 47 -0.271 8.336 9.413 1.00 0.00 O ATOM 788 CB THR A 47 -0.591 11.688 9.718 1.00 0.00 C ATOM 789 OG1 THR A 47 -0.133 12.891 10.321 1.00 0.00 O ATOM 790 CG2 THR A 47 -1.978 11.337 10.260 1.00 0.00 C ATOM 0 H THR A 47 1.876 11.967 9.438 1.00 0.00 H new ATOM 0 HA THR A 47 0.233 10.168 11.037 1.00 0.00 H new ATOM 0 HB THR A 47 -0.652 11.824 8.638 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.759 13.617 10.119 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.672 12.146 10.034 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.329 10.417 9.793 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.922 11.197 11.340 1.00 0.00 H new ATOM 798 N TRP A 48 0.343 9.639 7.759 1.00 0.00 N ATOM 799 CA TRP A 48 0.049 8.556 6.761 1.00 0.00 C ATOM 800 C TRP A 48 1.151 7.486 6.697 1.00 0.00 C ATOM 801 O TRP A 48 0.980 6.462 6.062 1.00 0.00 O ATOM 802 CB TRP A 48 -0.176 9.168 5.370 1.00 0.00 C ATOM 803 CG TRP A 48 1.060 9.829 4.846 1.00 0.00 C ATOM 804 CD1 TRP A 48 1.277 11.165 4.829 1.00 0.00 C ATOM 805 CD2 TRP A 48 2.230 9.216 4.228 1.00 0.00 C ATOM 806 NE1 TRP A 48 2.504 11.411 4.242 1.00 0.00 N ATOM 807 CE2 TRP A 48 3.134 10.243 3.861 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.596 7.885 3.959 1.00 0.00 C ATOM 809 CZ2 TRP A 48 4.354 9.959 3.248 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.824 7.596 3.341 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.701 8.631 2.987 1.00 0.00 C ATOM 0 H TRP A 48 0.690 10.514 7.367 1.00 0.00 H new ATOM 0 HA TRP A 48 -0.859 8.054 7.096 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.493 8.388 4.677 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.984 9.897 5.420 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.602 11.916 5.212 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.897 12.343 4.107 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.929 7.080 4.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.026 10.760 2.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 4.094 6.570 3.137 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.644 8.402 2.513 1.00 0.00 H new ATOM 822 N LYS A 49 2.259 7.675 7.352 1.00 0.00 N ATOM 823 CA LYS A 49 3.317 6.627 7.311 1.00 0.00 C ATOM 824 C LYS A 49 3.033 5.610 8.414 1.00 0.00 C ATOM 825 O LYS A 49 3.130 4.415 8.211 1.00 0.00 O ATOM 826 CB LYS A 49 4.691 7.262 7.533 1.00 0.00 C ATOM 827 CG LYS A 49 5.771 6.359 6.934 1.00 0.00 C ATOM 828 CD LYS A 49 6.782 5.981 8.017 1.00 0.00 C ATOM 829 CE LYS A 49 7.967 6.946 7.966 1.00 0.00 C ATOM 830 NZ LYS A 49 9.152 6.311 8.606 1.00 0.00 N ATOM 0 H LYS A 49 2.479 8.500 7.909 1.00 0.00 H new ATOM 0 HA LYS A 49 3.315 6.135 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.727 8.248 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.870 7.404 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.317 5.460 6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.275 6.872 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.310 6.019 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.126 4.958 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.194 7.205 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.716 7.874 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.958 6.967 8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.932 6.085 9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.395 5.437 8.097 1.00 0.00 H new ATOM 844 N ASN A 50 2.665 6.073 9.576 1.00 0.00 N ATOM 845 CA ASN A 50 2.355 5.132 10.684 1.00 0.00 C ATOM 846 C ASN A 50 1.090 4.355 10.322 1.00 0.00 C ATOM 847 O ASN A 50 0.918 3.215 10.703 1.00 0.00 O ATOM 848 CB ASN A 50 2.126 5.916 11.978 1.00 0.00 C ATOM 849 CG ASN A 50 2.274 4.977 13.178 1.00 0.00 C ATOM 850 OD1 ASN A 50 1.367 4.237 13.500 1.00 0.00 O ATOM 851 ND2 ASN A 50 3.388 4.978 13.856 1.00 0.00 N ATOM 0 H ASN A 50 2.566 7.062 9.805 1.00 0.00 H new ATOM 0 HA ASN A 50 3.187 4.443 10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.843 6.733 12.052 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.132 6.363 11.973 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.498 4.357 14.657 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.150 5.600 13.585 1.00 0.00 H new ATOM 858 N ALA A 51 0.206 4.966 9.578 1.00 0.00 N ATOM 859 CA ALA A 51 -1.043 4.261 9.179 1.00 0.00 C ATOM 860 C ALA A 51 -0.680 3.093 8.260 1.00 0.00 C ATOM 861 O ALA A 51 -1.181 1.996 8.408 1.00 0.00 O ATOM 862 CB ALA A 51 -1.964 5.231 8.436 1.00 0.00 C ATOM 0 H ALA A 51 0.296 5.921 9.231 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.557 3.888 10.065 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.878 4.714 8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.213 6.068 9.088 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.458 5.603 7.545 1.00 0.00 H new ATOM 868 N VAL A 52 0.190 3.321 7.313 1.00 0.00 N ATOM 869 CA VAL A 52 0.590 2.223 6.388 1.00 0.00 C ATOM 870 C VAL A 52 1.222 1.084 7.196 1.00 0.00 C ATOM 871 O VAL A 52 0.944 -0.077 6.973 1.00 0.00 O ATOM 872 CB VAL A 52 1.600 2.764 5.369 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.367 1.605 4.721 1.00 0.00 C ATOM 874 CG2 VAL A 52 0.855 3.545 4.283 1.00 0.00 C ATOM 0 H VAL A 52 0.640 4.220 7.140 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.286 1.845 5.861 1.00 0.00 H new ATOM 0 HB VAL A 52 2.306 3.419 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.082 2.000 3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.900 1.046 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.665 0.944 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.570 3.931 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.148 2.885 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.315 4.376 4.738 1.00 0.00 H new ATOM 884 N ARG A 53 2.070 1.404 8.133 1.00 0.00 N ATOM 885 CA ARG A 53 2.712 0.333 8.948 1.00 0.00 C ATOM 886 C ARG A 53 1.630 -0.474 9.668 1.00 0.00 C ATOM 887 O ARG A 53 1.735 -1.676 9.815 1.00 0.00 O ATOM 888 CB ARG A 53 3.647 0.966 9.980 1.00 0.00 C ATOM 889 CG ARG A 53 4.153 -0.111 10.942 1.00 0.00 C ATOM 890 CD ARG A 53 5.368 0.415 11.708 1.00 0.00 C ATOM 891 NE ARG A 53 6.466 0.719 10.747 1.00 0.00 N ATOM 892 CZ ARG A 53 6.786 -0.150 9.828 1.00 0.00 C ATOM 893 NH1 ARG A 53 7.388 -1.259 10.159 1.00 0.00 N ATOM 894 NH2 ARG A 53 6.505 0.093 8.576 1.00 0.00 N ATOM 0 H ARG A 53 2.346 2.357 8.370 1.00 0.00 H new ATOM 0 HA ARG A 53 3.286 -0.326 8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.488 1.444 9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.121 1.744 10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.363 -0.390 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.421 -1.011 10.388 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.099 1.312 12.266 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.701 -0.325 12.436 1.00 0.00 H new ATOM 0 HE ARG A 53 6.967 1.606 10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.609 -1.447 11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.638 -1.938 9.440 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.036 0.961 8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.755 -0.585 7.856 1.00 0.00 H new ATOM 908 N HIS A 54 0.592 0.176 10.118 1.00 0.00 N ATOM 909 CA HIS A 54 -0.494 -0.555 10.830 1.00 0.00 C ATOM 910 C HIS A 54 -1.224 -1.479 9.847 1.00 0.00 C ATOM 911 O HIS A 54 -1.359 -2.664 10.078 1.00 0.00 O ATOM 912 CB HIS A 54 -1.487 0.450 11.418 1.00 0.00 C ATOM 913 CG HIS A 54 -2.574 -0.289 12.149 1.00 0.00 C ATOM 914 ND1 HIS A 54 -2.559 -0.457 13.525 1.00 0.00 N ATOM 915 CD2 HIS A 54 -3.716 -0.912 11.709 1.00 0.00 C ATOM 916 CE1 HIS A 54 -3.658 -1.155 13.861 1.00 0.00 C ATOM 917 NE2 HIS A 54 -4.399 -1.458 12.791 1.00 0.00 N ATOM 0 H HIS A 54 0.449 1.181 10.023 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.061 -1.151 11.633 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -0.973 1.129 12.098 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.918 1.059 10.624 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -1.844 -0.113 14.166 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -4.036 -0.969 10.679 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.911 -1.436 14.872 1.00 0.00 H new ATOM 925 N ASN A 55 -1.697 -0.943 8.752 1.00 0.00 N ATOM 926 CA ASN A 55 -2.419 -1.788 7.755 1.00 0.00 C ATOM 927 C ASN A 55 -1.469 -2.864 7.214 1.00 0.00 C ATOM 928 O ASN A 55 -1.880 -3.939 6.826 1.00 0.00 O ATOM 929 CB ASN A 55 -2.928 -0.890 6.613 1.00 0.00 C ATOM 930 CG ASN A 55 -1.913 -0.825 5.463 1.00 0.00 C ATOM 931 OD1 ASN A 55 -0.893 -0.177 5.573 1.00 0.00 O ATOM 932 ND2 ASN A 55 -2.157 -1.470 4.355 1.00 0.00 N ATOM 0 H ASN A 55 -1.615 0.043 8.505 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.270 -2.281 8.225 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.878 -1.273 6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.116 0.114 6.993 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.491 -1.429 3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.014 -2.015 4.260 1.00 0.00 H new ATOM 939 N LEU A 56 -0.202 -2.565 7.177 1.00 0.00 N ATOM 940 CA LEU A 56 0.795 -3.544 6.652 1.00 0.00 C ATOM 941 C LEU A 56 0.874 -4.779 7.561 1.00 0.00 C ATOM 942 O LEU A 56 0.940 -5.899 7.093 1.00 0.00 O ATOM 943 CB LEU A 56 2.170 -2.871 6.593 1.00 0.00 C ATOM 944 CG LEU A 56 3.098 -3.669 5.674 1.00 0.00 C ATOM 945 CD1 LEU A 56 3.201 -2.968 4.318 1.00 0.00 C ATOM 946 CD2 LEU A 56 4.489 -3.757 6.306 1.00 0.00 C ATOM 0 H LEU A 56 0.191 -1.677 7.490 1.00 0.00 H new ATOM 0 HA LEU A 56 0.486 -3.864 5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.070 -1.850 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.598 -2.810 7.593 1.00 0.00 H new ATOM 0 HG LEU A 56 2.695 -4.672 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.862 -3.537 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.211 -2.903 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.603 -1.965 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.150 -4.325 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.890 -2.753 6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.419 -4.256 7.273 1.00 0.00 H new ATOM 958 N SER A 57 0.895 -4.587 8.853 1.00 0.00 N ATOM 959 CA SER A 57 1.003 -5.757 9.780 1.00 0.00 C ATOM 960 C SER A 57 -0.378 -6.345 10.099 1.00 0.00 C ATOM 961 O SER A 57 -0.522 -7.538 10.281 1.00 0.00 O ATOM 962 CB SER A 57 1.669 -5.307 11.081 1.00 0.00 C ATOM 963 OG SER A 57 3.031 -5.715 11.077 1.00 0.00 O ATOM 0 H SER A 57 0.842 -3.675 9.308 1.00 0.00 H new ATOM 0 HA SER A 57 1.600 -6.527 9.292 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.602 -4.224 11.181 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.150 -5.739 11.937 1.00 0.00 H new ATOM 0 HG SER A 57 3.461 -5.427 11.909 1.00 0.00 H new ATOM 969 N LEU A 58 -1.392 -5.528 10.188 1.00 0.00 N ATOM 970 CA LEU A 58 -2.749 -6.055 10.520 1.00 0.00 C ATOM 971 C LEU A 58 -3.446 -6.574 9.257 1.00 0.00 C ATOM 972 O LEU A 58 -4.651 -6.726 9.225 1.00 0.00 O ATOM 973 CB LEU A 58 -3.587 -4.935 11.137 1.00 0.00 C ATOM 974 CG LEU A 58 -4.864 -5.524 11.739 1.00 0.00 C ATOM 975 CD1 LEU A 58 -4.683 -5.702 13.248 1.00 0.00 C ATOM 976 CD2 LEU A 58 -6.034 -4.572 11.477 1.00 0.00 C ATOM 0 H LEU A 58 -1.341 -4.519 10.046 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.646 -6.878 11.228 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.013 -4.420 11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.838 -4.194 10.378 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.069 -6.492 11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.593 -6.122 13.677 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.848 -6.377 13.437 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.479 -4.734 13.707 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.945 -4.989 11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.827 -3.606 11.937 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.164 -4.442 10.403 1.00 0.00 H new ATOM 988 N HIS A 59 -2.706 -6.852 8.218 1.00 0.00 N ATOM 989 CA HIS A 59 -3.337 -7.362 6.972 1.00 0.00 C ATOM 990 C HIS A 59 -2.647 -8.661 6.550 1.00 0.00 C ATOM 991 O HIS A 59 -1.509 -8.662 6.125 1.00 0.00 O ATOM 992 CB HIS A 59 -3.184 -6.314 5.872 1.00 0.00 C ATOM 993 CG HIS A 59 -4.275 -5.287 6.006 1.00 0.00 C ATOM 994 ND1 HIS A 59 -5.556 -5.618 6.417 1.00 0.00 N ATOM 995 CD2 HIS A 59 -4.288 -3.931 5.795 1.00 0.00 C ATOM 996 CE1 HIS A 59 -6.280 -4.484 6.441 1.00 0.00 C ATOM 997 NE2 HIS A 59 -5.554 -3.425 6.071 1.00 0.00 N ATOM 0 H HIS A 59 -1.692 -6.747 8.180 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.395 -7.558 7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.208 -5.835 5.944 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.235 -6.789 4.892 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.443 -3.345 5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.321 -4.436 6.725 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.862 -2.455 6.005 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.324 -9.771 6.672 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.700 -11.069 6.288 1.00 0.00 C ATOM 1007 C LYS A 60 -2.782 -11.263 4.775 1.00 0.00 C ATOM 1008 O LYS A 60 -2.069 -12.066 4.208 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.433 -12.215 6.986 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.805 -13.546 6.572 1.00 0.00 C ATOM 1011 CD LYS A 60 -3.120 -14.611 7.623 1.00 0.00 C ATOM 1012 CE LYS A 60 -2.271 -15.854 7.358 1.00 0.00 C ATOM 1013 NZ LYS A 60 -2.336 -16.760 8.538 1.00 0.00 N ATOM 0 H LYS A 60 -4.281 -9.835 7.020 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.653 -11.063 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.375 -12.093 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.490 -12.201 6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.190 -13.855 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.726 -13.433 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.916 -14.224 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.179 -14.867 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.632 -16.371 6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.238 -15.567 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.758 -17.606 8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.972 -16.264 9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.323 -17.043 8.704 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.636 -10.536 4.110 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.733 -10.695 2.634 1.00 0.00 C ATOM 1029 C TYR A 61 -2.479 -10.101 1.990 1.00 0.00 C ATOM 1030 O TYR A 61 -2.258 -10.226 0.802 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.980 -9.975 2.116 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.888 -8.504 2.433 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.969 -7.700 1.752 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.732 -7.940 3.398 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.890 -6.334 2.035 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -5.654 -6.572 3.681 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.733 -5.769 2.999 1.00 0.00 C ATOM 1038 OH TYR A 61 -4.655 -4.419 3.278 1.00 0.00 O ATOM 0 H TYR A 61 -4.265 -9.846 4.520 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.810 -11.752 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.074 -10.119 1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.873 -10.400 2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.320 -8.135 1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.443 -8.561 3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.178 -5.714 1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.304 -6.136 4.425 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.883 -4.033 2.814 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.644 -9.471 2.775 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.392 -8.886 2.226 1.00 0.00 C ATOM 1050 C PHE A 62 0.701 -9.955 2.267 1.00 0.00 C ATOM 1051 O PHE A 62 1.042 -10.459 3.319 1.00 0.00 O ATOM 1052 CB PHE A 62 0.037 -7.701 3.095 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.445 -6.406 2.488 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.048 -6.044 1.195 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.277 -5.559 3.227 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.486 -4.834 0.644 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.716 -4.351 2.676 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.319 -3.986 1.385 1.00 0.00 C ATOM 0 H PHE A 62 -1.779 -9.338 3.777 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.554 -8.548 1.203 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.369 -7.813 4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.123 -7.685 3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.595 -6.697 0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.581 -5.838 4.225 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.181 -4.554 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.361 -3.700 3.247 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.654 -3.051 0.960 1.00 0.00 H new ATOM 1068 N VAL A 63 1.255 -10.314 1.143 1.00 0.00 N ATOM 1069 CA VAL A 63 2.320 -11.355 1.152 1.00 0.00 C ATOM 1070 C VAL A 63 3.665 -10.702 0.823 1.00 0.00 C ATOM 1071 O VAL A 63 3.727 -9.690 0.153 1.00 0.00 O ATOM 1072 CB VAL A 63 1.995 -12.429 0.108 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.239 -13.277 -0.169 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.879 -13.332 0.641 1.00 0.00 C ATOM 0 H VAL A 63 1.019 -9.935 0.226 1.00 0.00 H new ATOM 0 HA VAL A 63 2.373 -11.819 2.137 1.00 0.00 H new ATOM 0 HB VAL A 63 1.673 -11.947 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.002 -14.039 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.038 -12.639 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.564 -13.758 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.645 -14.097 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.207 -13.809 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.011 -12.734 0.837 1.00 0.00 H new ATOM 1084 N ARG A 64 4.741 -11.272 1.289 1.00 0.00 N ATOM 1085 CA ARG A 64 6.079 -10.683 1.003 1.00 0.00 C ATOM 1086 C ARG A 64 6.965 -11.731 0.328 1.00 0.00 C ATOM 1087 O ARG A 64 7.420 -12.669 0.953 1.00 0.00 O ATOM 1088 CB ARG A 64 6.728 -10.233 2.313 1.00 0.00 C ATOM 1089 CG ARG A 64 6.434 -11.262 3.407 1.00 0.00 C ATOM 1090 CD ARG A 64 7.611 -11.323 4.380 1.00 0.00 C ATOM 1091 NE ARG A 64 7.930 -12.746 4.685 1.00 0.00 N ATOM 1092 CZ ARG A 64 6.974 -13.575 5.007 1.00 0.00 C ATOM 1093 NH1 ARG A 64 6.262 -13.363 6.080 1.00 0.00 N ATOM 1094 NH2 ARG A 64 6.732 -14.616 4.258 1.00 0.00 N ATOM 0 H ARG A 64 4.752 -12.120 1.855 1.00 0.00 H new ATOM 0 HA ARG A 64 5.964 -9.825 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.804 -10.125 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.344 -9.256 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.522 -10.992 3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.265 -12.243 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.481 -10.829 3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.366 -10.789 5.298 1.00 0.00 H new ATOM 0 HE ARG A 64 8.895 -13.073 4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.453 -12.550 6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.515 -14.010 6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.290 -14.782 3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.985 -15.263 4.510 1.00 0.00 H new ATOM 1108 N VAL A 65 7.215 -11.580 -0.943 1.00 0.00 N ATOM 1109 CA VAL A 65 8.070 -12.564 -1.656 1.00 0.00 C ATOM 1110 C VAL A 65 9.539 -12.175 -1.488 1.00 0.00 C ATOM 1111 O VAL A 65 9.882 -11.012 -1.474 1.00 0.00 O ATOM 1112 CB VAL A 65 7.710 -12.576 -3.144 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.339 -13.798 -3.813 1.00 0.00 C ATOM 1114 CG2 VAL A 65 6.189 -12.639 -3.302 1.00 0.00 C ATOM 0 H VAL A 65 6.862 -10.815 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 65 7.906 -13.557 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 65 8.088 -11.668 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.082 -13.805 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.423 -13.756 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.962 -14.705 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.933 -12.647 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.811 -13.546 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.737 -11.768 -2.827 1.00 0.00 H new ATOM 1124 N GLU A 66 10.409 -13.141 -1.361 1.00 0.00 N ATOM 1125 CA GLU A 66 11.851 -12.828 -1.196 1.00 0.00 C ATOM 1126 C GLU A 66 12.590 -13.116 -2.504 1.00 0.00 C ATOM 1127 O GLU A 66 12.651 -14.241 -2.959 1.00 0.00 O ATOM 1128 CB GLU A 66 12.439 -13.690 -0.076 1.00 0.00 C ATOM 1129 CG GLU A 66 13.805 -13.136 0.333 1.00 0.00 C ATOM 1130 CD GLU A 66 13.626 -12.119 1.462 1.00 0.00 C ATOM 1131 OE1 GLU A 66 13.381 -12.540 2.580 1.00 0.00 O ATOM 1132 OE2 GLU A 66 13.737 -10.934 1.189 1.00 0.00 O ATOM 0 H GLU A 66 10.179 -14.135 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 66 11.965 -11.775 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.767 -13.698 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.539 -14.722 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.455 -13.947 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.289 -12.664 -0.522 1.00 0.00 H new ATOM 1139 N ASN A 67 13.153 -12.108 -3.115 1.00 0.00 N ATOM 1140 CA ASN A 67 13.883 -12.326 -4.387 1.00 0.00 C ATOM 1141 C ASN A 67 15.312 -11.797 -4.252 1.00 0.00 C ATOM 1142 O ASN A 67 15.608 -10.992 -3.392 1.00 0.00 O ATOM 1143 CB ASN A 67 13.169 -11.589 -5.522 1.00 0.00 C ATOM 1144 CG ASN A 67 13.651 -12.134 -6.867 1.00 0.00 C ATOM 1145 OD1 ASN A 67 14.445 -11.508 -7.540 1.00 0.00 O ATOM 1146 ND2 ASN A 67 13.201 -13.284 -7.289 1.00 0.00 N ATOM 0 H ASN A 67 13.136 -11.143 -2.784 1.00 0.00 H new ATOM 0 HA ASN A 67 13.910 -13.392 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.090 -11.717 -5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.369 -10.519 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.516 -13.657 -8.184 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.534 -13.809 -6.723 1.00 0.00 H new ATOM 1153 N VAL A 68 16.202 -12.247 -5.094 1.00 0.00 N ATOM 1154 CA VAL A 68 17.610 -11.775 -5.014 1.00 0.00 C ATOM 1155 C VAL A 68 17.654 -10.256 -5.199 1.00 0.00 C ATOM 1156 O VAL A 68 18.457 -9.572 -4.595 1.00 0.00 O ATOM 1157 CB VAL A 68 18.434 -12.449 -6.112 1.00 0.00 C ATOM 1158 CG1 VAL A 68 19.861 -11.900 -6.093 1.00 0.00 C ATOM 1159 CG2 VAL A 68 18.467 -13.959 -5.864 1.00 0.00 C ATOM 0 H VAL A 68 16.013 -12.922 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 68 18.024 -12.031 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 68 17.982 -12.246 -7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 68 20.447 -12.382 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 68 19.839 -10.824 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 68 20.316 -12.103 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 68 19.054 -14.443 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.920 -14.158 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.450 -14.352 -5.877 1.00 0.00 H new ATOM 1169 N LYS A 69 16.801 -9.723 -6.029 1.00 0.00 N ATOM 1170 CA LYS A 69 16.797 -8.253 -6.253 1.00 0.00 C ATOM 1171 C LYS A 69 16.163 -7.549 -5.050 1.00 0.00 C ATOM 1172 O LYS A 69 16.218 -6.342 -4.926 1.00 0.00 O ATOM 1173 CB LYS A 69 15.995 -7.930 -7.515 1.00 0.00 C ATOM 1174 CG LYS A 69 16.772 -6.931 -8.374 1.00 0.00 C ATOM 1175 CD LYS A 69 16.182 -6.899 -9.786 1.00 0.00 C ATOM 1176 CE LYS A 69 17.023 -5.979 -10.671 1.00 0.00 C ATOM 1177 NZ LYS A 69 16.294 -4.697 -10.893 1.00 0.00 N ATOM 0 H LYS A 69 16.105 -10.245 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 69 17.823 -7.905 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.806 -8.842 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.024 -7.515 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.725 -5.938 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 69 17.824 -7.213 -8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.161 -7.905 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.151 -6.546 -9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.986 -5.785 -10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.227 -6.463 -11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.867 -4.072 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.385 -4.891 -11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.121 -4.233 -9.978 1.00 0.00 H new ATOM 1191 N GLY A 70 15.560 -8.293 -4.163 1.00 0.00 N ATOM 1192 CA GLY A 70 14.922 -7.669 -2.976 1.00 0.00 C ATOM 1193 C GLY A 70 13.487 -8.180 -2.841 1.00 0.00 C ATOM 1194 O GLY A 70 12.781 -8.341 -3.815 1.00 0.00 O ATOM 0 H GLY A 70 15.483 -9.309 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.490 -7.907 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.925 -6.584 -3.077 1.00 0.00 H new ATOM 1198 N ALA A 71 13.049 -8.438 -1.638 1.00 0.00 N ATOM 1199 CA ALA A 71 11.661 -8.942 -1.443 1.00 0.00 C ATOM 1200 C ALA A 71 10.661 -7.913 -1.979 1.00 0.00 C ATOM 1201 O ALA A 71 11.019 -6.802 -2.313 1.00 0.00 O ATOM 1202 CB ALA A 71 11.407 -9.176 0.047 1.00 0.00 C ATOM 0 H ALA A 71 13.593 -8.321 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 71 11.537 -9.881 -1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.391 -9.545 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.117 -9.912 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.532 -8.239 0.589 1.00 0.00 H new ATOM 1208 N VAL A 72 9.406 -8.274 -2.068 1.00 0.00 N ATOM 1209 CA VAL A 72 8.390 -7.313 -2.589 1.00 0.00 C ATOM 1210 C VAL A 72 7.088 -7.443 -1.794 1.00 0.00 C ATOM 1211 O VAL A 72 6.760 -8.497 -1.287 1.00 0.00 O ATOM 1212 CB VAL A 72 8.111 -7.615 -4.061 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.305 -7.172 -4.910 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.888 -9.120 -4.238 1.00 0.00 C ATOM 0 H VAL A 72 9.043 -9.190 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 72 8.776 -6.299 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 72 7.220 -7.075 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.105 -7.388 -5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.464 -6.101 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.197 -7.711 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.689 -9.337 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.779 -9.660 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.037 -9.435 -3.634 1.00 0.00 H new ATOM 1224 N TRP A 73 6.342 -6.377 -1.684 1.00 0.00 N ATOM 1225 CA TRP A 73 5.064 -6.435 -0.926 1.00 0.00 C ATOM 1226 C TRP A 73 3.910 -6.786 -1.869 1.00 0.00 C ATOM 1227 O TRP A 73 3.563 -6.022 -2.745 1.00 0.00 O ATOM 1228 CB TRP A 73 4.787 -5.086 -0.257 1.00 0.00 C ATOM 1229 CG TRP A 73 5.519 -5.014 1.045 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.449 -4.084 1.362 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.398 -5.886 2.206 1.00 0.00 C ATOM 1232 NE1 TRP A 73 6.908 -4.330 2.643 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.290 -5.430 3.206 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.610 -7.016 2.487 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.397 -6.074 4.440 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.714 -7.666 3.727 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.606 -7.196 4.702 1.00 0.00 C ATOM 0 H TRP A 73 6.565 -5.467 -2.088 1.00 0.00 H new ATOM 0 HA TRP A 73 5.148 -7.205 -0.159 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.104 -4.273 -0.910 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.717 -4.963 -0.092 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.779 -3.281 0.720 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.616 -3.768 3.115 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.920 -7.387 1.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.086 -5.708 5.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 4.103 -8.533 3.931 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.681 -7.700 5.654 1.00 0.00 H new ATOM 1248 N THR A 74 3.312 -7.939 -1.705 1.00 0.00 N ATOM 1249 CA THR A 74 2.197 -8.321 -2.603 1.00 0.00 C ATOM 1250 C THR A 74 0.908 -8.528 -1.802 1.00 0.00 C ATOM 1251 O THR A 74 0.924 -8.644 -0.593 1.00 0.00 O ATOM 1252 CB THR A 74 2.559 -9.612 -3.339 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.368 -10.294 -3.710 1.00 0.00 O ATOM 1254 CG2 THR A 74 3.397 -10.508 -2.425 1.00 0.00 C ATOM 0 H THR A 74 3.551 -8.625 -0.989 1.00 0.00 H new ATOM 0 HA THR A 74 2.033 -7.519 -3.323 1.00 0.00 H new ATOM 0 HB THR A 74 3.134 -9.370 -4.233 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.593 -11.190 -4.038 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.653 -11.427 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.311 -9.985 -2.141 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.825 -10.751 -1.530 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.211 -8.573 -2.478 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.511 -8.770 -1.775 1.00 0.00 C ATOM 1264 C VAL A 75 -2.283 -9.910 -2.442 1.00 0.00 C ATOM 1265 O VAL A 75 -2.328 -10.018 -3.651 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.337 -7.486 -1.866 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -2.521 -7.104 -3.334 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -3.712 -7.716 -1.232 1.00 0.00 C ATOM 0 H VAL A 75 -0.279 -8.481 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.324 -9.015 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.819 -6.685 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.110 -6.189 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.546 -6.942 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.039 -7.908 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.300 -6.801 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.227 -8.517 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.588 -7.994 -0.185 1.00 0.00 H new ATOM 1278 N ASP A 76 -2.902 -10.757 -1.665 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.678 -11.880 -2.262 1.00 0.00 C ATOM 1280 C ASP A 76 -5.069 -11.374 -2.655 1.00 0.00 C ATOM 1281 O ASP A 76 -5.890 -11.075 -1.811 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.813 -13.007 -1.237 1.00 0.00 C ATOM 1283 CG ASP A 76 -3.918 -14.350 -1.963 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -5.014 -14.696 -2.371 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -2.900 -15.009 -2.099 1.00 0.00 O ATOM 0 H ASP A 76 -2.904 -10.720 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.162 -12.257 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.952 -13.010 -0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.696 -12.846 -0.619 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.337 -11.266 -3.929 1.00 0.00 N ATOM 1291 CA GLU A 77 -6.673 -10.770 -4.369 1.00 0.00 C ATOM 1292 C GLU A 77 -7.774 -11.579 -3.684 1.00 0.00 C ATOM 1293 O GLU A 77 -8.791 -11.046 -3.287 1.00 0.00 O ATOM 1294 CB GLU A 77 -6.801 -10.910 -5.889 1.00 0.00 C ATOM 1295 CG GLU A 77 -6.131 -12.207 -6.346 1.00 0.00 C ATOM 1296 CD GLU A 77 -6.729 -12.646 -7.685 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -7.923 -12.469 -7.864 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -5.983 -13.154 -8.505 1.00 0.00 O ATOM 0 H GLU A 77 -4.690 -11.499 -4.682 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.774 -9.720 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.852 -10.912 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.337 -10.056 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.056 -12.057 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.275 -12.987 -5.598 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.585 -12.860 -3.537 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.621 -13.690 -2.873 1.00 0.00 C ATOM 1307 C VAL A 78 -8.723 -13.275 -1.407 1.00 0.00 C ATOM 1308 O VAL A 78 -9.775 -12.907 -0.924 1.00 0.00 O ATOM 1309 CB VAL A 78 -8.228 -15.164 -2.960 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -9.170 -15.998 -2.091 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -8.329 -15.630 -4.415 1.00 0.00 C ATOM 0 H VAL A 78 -6.756 -13.366 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.582 -13.545 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.205 -15.289 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.888 -17.049 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.100 -15.665 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.194 -15.875 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.049 -16.681 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.353 -15.504 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.657 -15.036 -5.035 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.631 -13.330 -0.698 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.652 -12.939 0.735 1.00 0.00 C ATOM 1323 C GLU A 79 -7.993 -11.451 0.858 1.00 0.00 C ATOM 1324 O GLU A 79 -8.734 -11.049 1.729 1.00 0.00 O ATOM 1325 CB GLU A 79 -6.278 -13.201 1.355 1.00 0.00 C ATOM 1326 CG GLU A 79 -6.446 -13.986 2.659 1.00 0.00 C ATOM 1327 CD GLU A 79 -6.288 -15.481 2.380 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -6.671 -15.907 1.303 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -5.787 -16.177 3.250 1.00 0.00 O ATOM 0 H GLU A 79 -6.723 -13.630 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.406 -13.526 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.654 -13.762 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.769 -12.257 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.705 -13.661 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.427 -13.788 3.091 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.455 -10.628 -0.002 1.00 0.00 N ATOM 1337 CA PHE A 80 -7.753 -9.172 0.084 1.00 0.00 C ATOM 1338 C PHE A 80 -9.248 -8.926 -0.141 1.00 0.00 C ATOM 1339 O PHE A 80 -9.858 -8.107 0.518 1.00 0.00 O ATOM 1340 CB PHE A 80 -6.952 -8.424 -0.981 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.275 -6.951 -0.906 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -8.407 -6.449 -1.559 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -6.445 -6.089 -0.180 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -8.709 -5.085 -1.487 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -6.747 -4.724 -0.107 1.00 0.00 C ATOM 1346 CZ PHE A 80 -7.879 -4.221 -0.760 1.00 0.00 C ATOM 0 H PHE A 80 -6.825 -10.901 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.476 -8.812 1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.885 -8.582 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.192 -8.811 -1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.047 -7.115 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.572 -6.477 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -9.582 -4.698 -1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.107 -4.059 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.112 -3.168 -0.703 1.00 0.00 H new ATOM 1356 N GLN A 81 -9.843 -9.620 -1.073 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.296 -9.413 -1.346 1.00 0.00 C ATOM 1358 C GLN A 81 -12.138 -10.107 -0.271 1.00 0.00 C ATOM 1359 O GLN A 81 -13.307 -9.814 -0.107 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.646 -10.000 -2.715 1.00 0.00 C ATOM 1361 CG GLN A 81 -10.864 -9.266 -3.807 1.00 0.00 C ATOM 1362 CD GLN A 81 -11.432 -7.856 -3.980 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -11.473 -7.085 -3.042 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -11.876 -7.483 -5.150 1.00 0.00 N ATOM 0 H GLN A 81 -9.387 -10.321 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.510 -8.344 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.408 -11.064 -2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.717 -9.909 -2.897 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.808 -9.214 -3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.929 -9.814 -4.747 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.842 -8.130 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.257 -6.545 -5.276 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.568 -11.028 0.455 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.353 -11.732 1.501 1.00 0.00 C ATOM 1375 C LYS A 82 -11.966 -11.211 2.887 1.00 0.00 C ATOM 1376 O LYS A 82 -12.785 -11.136 3.782 1.00 0.00 O ATOM 1377 CB LYS A 82 -12.086 -13.239 1.419 1.00 0.00 C ATOM 1378 CG LYS A 82 -10.707 -13.555 2.002 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.834 -13.823 3.503 1.00 0.00 C ATOM 1380 CE LYS A 82 -10.788 -15.331 3.759 1.00 0.00 C ATOM 1381 NZ LYS A 82 -11.663 -15.664 4.919 1.00 0.00 N ATOM 0 H LYS A 82 -10.595 -11.322 0.368 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.414 -11.545 1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.855 -13.784 1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.137 -13.570 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.280 -14.424 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.027 -12.721 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.026 -13.327 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.769 -13.408 3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.120 -15.872 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.764 -15.646 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.633 -16.689 5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.327 -15.158 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.641 -15.377 4.710 1.00 0.00 H new ATOM 1395 N ARG A 83 -10.727 -10.852 3.076 1.00 0.00 N ATOM 1396 CA ARG A 83 -10.295 -10.340 4.402 1.00 0.00 C ATOM 1397 C ARG A 83 -10.665 -8.861 4.524 1.00 0.00 C ATOM 1398 O ARG A 83 -10.740 -8.317 5.609 1.00 0.00 O ATOM 1399 CB ARG A 83 -8.781 -10.504 4.547 1.00 0.00 C ATOM 1400 CG ARG A 83 -8.463 -11.068 5.933 1.00 0.00 C ATOM 1401 CD ARG A 83 -8.055 -9.927 6.869 1.00 0.00 C ATOM 1402 NE ARG A 83 -7.793 -10.473 8.230 1.00 0.00 N ATOM 1403 CZ ARG A 83 -7.531 -9.661 9.219 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -8.490 -8.960 9.759 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -6.310 -9.550 9.668 1.00 0.00 N ATOM 0 H ARG A 83 -9.995 -10.892 2.367 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.796 -10.904 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.401 -11.172 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.285 -9.543 4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.333 -11.588 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.659 -11.800 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.164 -9.430 6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.845 -9.177 6.912 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.818 -11.480 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.444 -9.046 9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.286 -8.326 10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.560 -10.098 9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.106 -8.916 10.440 1.00 0.00 H new ATOM 1419 N ARG A 84 -10.898 -8.205 3.421 1.00 0.00 N ATOM 1420 CA ARG A 84 -11.265 -6.762 3.475 1.00 0.00 C ATOM 1421 C ARG A 84 -12.463 -6.579 4.416 1.00 0.00 C ATOM 1422 O ARG A 84 -13.439 -7.296 4.313 1.00 0.00 O ATOM 1423 CB ARG A 84 -11.638 -6.284 2.069 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.600 -7.284 1.421 1.00 0.00 C ATOM 1425 CD ARG A 84 -13.106 -6.726 0.087 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.090 -5.800 -0.494 1.00 0.00 N ATOM 1427 CZ ARG A 84 -12.439 -4.600 -0.866 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -12.946 -3.769 0.003 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -12.280 -4.231 -2.108 1.00 0.00 N ATOM 0 H ARG A 84 -10.850 -8.606 2.484 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.421 -6.180 3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.103 -5.299 2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.740 -6.181 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.095 -8.236 1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -13.441 -7.478 2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.305 -7.543 -0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -14.048 -6.198 0.237 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.123 -6.106 -0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.069 -4.058 0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.219 -2.830 -0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.883 -4.881 -2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.553 -3.293 -2.400 1.00 0.00 H new ATOM 1443 N PRO A 85 -12.357 -5.626 5.311 1.00 0.00 N ATOM 1444 CA PRO A 85 -13.425 -5.335 6.284 1.00 0.00 C ATOM 1445 C PRO A 85 -14.551 -4.536 5.622 1.00 0.00 C ATOM 1446 O PRO A 85 -15.621 -4.376 6.177 1.00 0.00 O ATOM 1447 CB PRO A 85 -12.718 -4.500 7.355 1.00 0.00 C ATOM 1448 CG PRO A 85 -11.470 -3.888 6.677 1.00 0.00 C ATOM 1449 CD PRO A 85 -11.172 -4.753 5.437 1.00 0.00 C ATOM 0 HA PRO A 85 -13.891 -6.233 6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.376 -3.719 7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.434 -5.119 8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.653 -2.852 6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.621 -3.885 7.360 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.033 -4.139 4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.260 -5.336 5.568 1.00 0.00 H new ATOM 1457 N GLN A 86 -14.324 -4.031 4.440 1.00 0.00 N ATOM 1458 CA GLN A 86 -15.384 -3.246 3.751 1.00 0.00 C ATOM 1459 C GLN A 86 -16.665 -4.078 3.674 1.00 0.00 C ATOM 1460 O GLN A 86 -17.724 -3.647 4.084 1.00 0.00 O ATOM 1461 CB GLN A 86 -14.921 -2.893 2.336 1.00 0.00 C ATOM 1462 CG GLN A 86 -15.620 -1.612 1.873 1.00 0.00 C ATOM 1463 CD GLN A 86 -15.356 -0.492 2.881 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -16.278 0.065 3.444 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -14.126 -0.136 3.136 1.00 0.00 N ATOM 0 H GLN A 86 -13.450 -4.129 3.923 1.00 0.00 H new ATOM 0 HA GLN A 86 -15.577 -2.330 4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -13.840 -2.756 2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -15.149 -3.711 1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -15.255 -1.322 0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -16.692 -1.784 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.352 -0.603 2.664 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.939 0.609 3.807 1.00 0.00 H new ATOM 1474 N LYS A 87 -16.577 -5.270 3.151 1.00 0.00 N ATOM 1475 CA LYS A 87 -17.788 -6.130 3.050 1.00 0.00 C ATOM 1476 C LYS A 87 -18.705 -5.595 1.947 1.00 0.00 C ATOM 1477 O LYS A 87 -18.221 -5.400 0.844 1.00 0.00 O ATOM 1478 CB LYS A 87 -18.536 -6.113 4.385 1.00 0.00 C ATOM 1479 CG LYS A 87 -19.217 -7.464 4.605 1.00 0.00 C ATOM 1480 CD LYS A 87 -20.723 -7.255 4.776 1.00 0.00 C ATOM 1481 CE LYS A 87 -21.010 -6.722 6.181 1.00 0.00 C ATOM 1482 NZ LYS A 87 -22.233 -5.870 6.149 1.00 0.00 N ATOM 1483 OXT LYS A 87 -19.874 -5.392 2.224 1.00 0.00 O ATOM 0 H LYS A 87 -15.718 -5.685 2.789 1.00 0.00 H new ATOM 0 HA LYS A 87 -17.490 -7.151 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -17.842 -5.906 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -19.278 -5.315 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -19.024 -8.122 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.804 -7.952 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -21.090 -6.553 4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -21.251 -8.195 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -21.149 -7.551 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -20.160 -6.143 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -22.429 -5.507 7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -22.083 -5.072 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -23.042 -6.436 5.821 1.00 0.00 H new TER 1497 LYS A 87